_id	labels	smiles	0	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20	21	22	23	24	25	26	27	28	29	30	31	32	33	34	35	36	37	38	39	40	41	42	43	44	45	46	47	48	49	50	51	52	53	54	55	56	57	58	59	60	61	62	63	64	65	66	67	68	69	70	71	72	73	74	75	76	77	78	79	80	81	82	83	84	85	86	87	88	89	90	91	92	93	94	95	96	97	98	99	100	101	102	103	104	105	106	107	108	109	110	111	112	113	114	115	116	117	118	119	120	121	122	123	124	125	126	127	128	129	130	131	132	133	134	135	136	137	138	139	140	141	142	143	144	145	146	147	148	149	150	151	152	153	154	155	156	157	158	159	160	161	162	163	164	165	166	167	168	169	170	171	172	173	174	175	176	177	178	179	180	181	182	183	184	185	186	187	188	189	190	191	192	193	194	195	196	197	198	199	200	201	202	203	204	205	206	207	208	209	210	211	212	213	214	215	216	217	218	219	220	221	222	223	224	225	226	227	228	229	230	231	232	233	234	235	236	237	238	239	240	241	242	243	244	245	246	247	248	249	250	251	252	253	254	255	256	257	258	259	260	261	262	263	264	265	266	267	268	269	270	271	272	273	274	275	276	277	278	279	280	281	282	283	284	285	286	287	288	289	290	291	292	293	294	295	296	297	298	299	300	301	302	303	304	305	306	307	308	309	310	311	312	313	314	315	316	317	318	319	320	321	322	323	324	325	326	327	328	329	330	331	332	333	334	335	336	337	338	339	340	341	342	343	344	345	346	347	348	349	350	351	352	353	354	355	356	357	358	359	360	361	362	363	364	365	366	367	368	369	370	371	372	373	374	375	376	377	378	379	380	381	382	383	384	385	386	387	388	389	390	391	392	393	394	395	396	397	398	399	400	401	402	403	404	405	406	407	408	409	410	411	412	413	414	415	416	417	418	419	420	421	422	423	424	425	426	427	428	429	430	431	432	433	434	435	436	437	438	439	440	441	442	443	444	445	446	447	448	449	450	451	452	453	454	455	456	457	458	459	460	461	462	463	464	465	466	467	468	469	470	471	472	473	474	475	476	477	478	479	480	481	482	483	484	485	486	487	488	489	490	491	492	493	494	495	496	497	498	499	500	501	502	503	504	505	506	507	508	509	510	511
1	0	COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1	0.5557603	0.2531999	-0.17631683	0.023905553	-0.1323813	-0.6670847	-0.7886688	-0.31293526	-0.49872762	-0.10443655	-0.14987066	0.24555522	-0.08859384	-0.4847422	0.3557611	-0.40309322	-0.061853405	-0.24126722	-0.118230365	-0.24910471	0.21059515	-0.34027395	-0.065812685	-0.18229258	-0.45376	0.09519646	0.004235831	0.05390124	-0.13996139	0.35115412	-0.07963924	0.004716197	0.23293918	-0.433465	0.23474447	-0.34689078	-0.08154583	0.55868226	0.99599874	-0.78372145	-0.97568357	-0.11915018	-0.351011	0.44316855	-0.01155607	-0.65951586	-0.14289206	0.088655956	0.8984592	0.019936407	0.82366407	0.14278072	-0.77528477	0.19696943	-0.40151578	-0.2550307	-0.33978918	0.043320317	0.4087739	-0.28091615	-0.41362587	-0.010263899	0.124881186	0.14902376	-0.47269055	0.52361625	0.37086892	0.41114527	-0.4892683	0.19129972	-0.5393391	-0.7597297	-0.2597837	-0.6030123	0.5916115	0.32256484	-0.5950826	0.003535411	0.013707311	-0.9992566	0.54132414	-0.6838868	-0.90398866	-0.35954702	0.052872363	-0.91876286	-0.33446008	-0.111265406	-0.6322229	-0.18973318	-0.38164276	0.58734494	-0.29140392	0.47856292	0.9881869	-0.33099464	0.6697022	-0.3671452	-0.16478789	-0.32097957	0.6755404	-0.43635243	0.314206	0.9642488	-0.96419656	-0.83590746	0.5210696	0.5593117	0.97320133	0.21107784	0.36079532	-0.64270985	0.066516936	-0.08492328	0.12581016	0.4452604	0.7159215	0.665806	0.99233115	0.13924715	0.110791355	0.4028535	-0.11866206	-0.027229613	-0.3242052	-0.10696718	0.0706383	-0.41599423	0.1958917	0.9998151	-0.020742321	-0.2339767	0.4507027	0.34134024	-0.32478595	-0.989027	-0.5849425	0.16169229	-0.37625048	-0.2153614	-0.99977267	-0.3171527	0.89721215	-0.47852033	-0.19235145	-0.0762041	-0.55312055	-0.33393344	-0.51710284	-0.030552974	0.7377445	-0.7368326	0.26423573	0.010249642	-0.31500453	-0.11120243	0.080115356	0.76410055	-0.6323736	-0.93083996	-0.8846781	-0.20447227	-0.038865324	0.60169923	-0.03363074	0.23571701	-0.19965515	0.18629774	-0.40738693	0.102761514	0.15527569	-0.04047042	-0.08669674	0.41961116	0.37214723	-0.9471562	-0.6920969	-0.23880589	-0.5920982	-0.29423273	0.3211638	-0.83165604	-0.36562842	0.52338326	-0.2328217	-0.4355604	0.66083205	0.29450512	0.15722044	-0.022208385	-0.33830836	-0.25151128	-0.40940964	-0.15269446	0.11715427	-0.554193	-0.15695044	-0.9035958	0.43323672	0.43412232	0.19308408	-0.5648726	-0.37140882	0.32066712	0.71280974	-0.51871043	0.32978135	-0.65543413	-0.0717563	-0.9997812	0.15035808	0.40801728	-0.18634723	0.06428713	0.25236475	0.5531649	0.11134241	0.18161222	0.12765454	-0.32969713	0.19623287	0.16100141	-0.000940352	0.31342438	-0.9759004	0.28604338	0.579408	0.6357863	-0.038665198	0.67553437	-0.4720134	-0.20005798	-0.36261088	0.0473503	0.51431465	-0.15918154	0.2100879	-0.36331573	0.15523416	0.10494981	0.90454674	0.31972063	0.23223886	-0.64676076	0.85427135	-0.11682137	0.6280285	0.263102	0.30492046	0.47271782	0.11750654	-0.9734091	-0.0969788	0.51310253	-0.42144725	0.19631934	-0.41118175	0.43247062	-0.21179716	-0.08575667	-0.22661172	-0.30691153	0.31996858	-0.5877736	0.6847373	0.069159776	-0.43207788	0.4133575	0.8403075	0.10593585	0.40761057	0.95273113	0.41100928	0.13129467	-0.6796817	-0.6701861	-0.30821195	-0.12003616	-0.051671837	0.07343113	0.22954325	0.9982906	-0.04226981	0.17104898	-0.35802376	-0.493334	0.18749195	0.798878	0.88961107	0.2933412	-0.34567943	0.9749217	0.121999376	0.26164848	0.07286935	-0.07168854	0.9999262	-0.9808335	0.5644588	0.41156057	0.07788453	-0.37721244	-0.61005294	-0.069750145	-0.30349845	-0.4752171	-0.73992634	0.33755803	0.8309371	0.54333746	-0.24790038	0.39316356	-0.5527771	-0.18422522	0.25751796	-0.30905747	-0.3890668	0.10134003	-0.99993	0.2754407	-0.001549801	-0.48781338	0.18286395	-0.7128922	0.39827293	0.3321258	0.1035099	-0.86349934	0.41910672	0.18738927	-0.23185222	-0.6750877	-0.046501398	0.43230382	0.24905957	0.54359525	0.30944735	0.43495277	0.06883172	0.56165683	0.06584354	-0.37491673	-0.33790395	0.6111259	0.10566003	0.04003015	-0.559399	0.5546607	-0.024849579	-0.631308	-0.9724612	0.30212903	0.4905201	-0.6149863	-0.05026343	0.1524757	0.16229099	0.9995993	0.6328564	0.015013592	0.12233458	0.25420064	0.46300748	-0.004445624	-0.90769583	-0.44911474	0.12970644	-0.543697	0.11436493	-0.07982452	0.029388815	0.60849947	-0.059077527	0.07296836	0.10876446	0.9968141	0.3541446	-0.666999	0.5394132	-0.5003227	0.022429047	-0.59787035	0.007240966	-0.024515165	0.04133385	-0.63182175	0.6008011	-0.014608135	-0.26718923	0.45059818	-0.034822978	0.17117025	-0.1431532	0.31730244	0.6864001	-0.06589597	-0.37263024	0.002015878	-0.49550456	-0.23244126	0.28479746	-0.19263166	0.120882526	0.3544296	0.44922265	-0.46666235	-0.53991896	-0.53435886	-0.39019892	0.5844731	-0.7416125	0.1845936	0.6184548	-0.028541904	0.75507253	0.07172882	0.99999976	-0.1860922	-0.96080214	-0.03888069	0.9996743	-0.25644243	0.014029019	-0.99993026	0.12899256	-0.8154076	0.15792449	-0.15484037	-0.13148741	-0.5515678	0.01027622	-0.25487533	-0.1746895	0.2933284	0.08927629	-0.4784115	0.32018408	0.19462644	-0.99998254	0.995362	-0.53411466	0.2056951	0.055370603	-0.41379303	-0.573616	-0.49516833	-0.18480574	0.26514068	-0.30910084	0.4537082	-0.87909347	-0.5052789	0.55757636	0.12791179	0.29931432	0.108751304	-0.4047201	0.2281673	-0.99985707	0.10933002	-0.23137413	0.09438619	0.109981254	0.3127881	-0.93780106	0.7677328	0.37215748	-0.024519783	0.13989334	-0.71617013	0.3502544	0.9796725	-0.45474386	0.71114975	0.322536	0.29469597	-0.1847025	-0.08782342	-0.68358564	-0.3658559	0.021044066	-0.46701345	0.11862927	-0.30177537	0.36464977	-0.12238825	0.1581868	-0.7729599	0.2779316	0.69233924	-0.7598708	0.15666506	-0.17264305	0.9854664	0.23844495	0.11483048	-0.15767531	-0.27506605	0.5326802	0.9999665	0.74404156	0.55204946	-0.06728418	0.03937799	-0.46694353	-0.15594311	-0.9762112	-0.27771327	0.64612484	0.19946747	0.24673572	-0.45080304
2	0	CCC(C)C(C(=O)O)n1sc2ccccc2c1=O	-0.14783973	0.08689695	-0.5603316	-0.008948819	-0.51698583	-0.2730638	0.47274795	0.12271164	0.1406354	-0.117113106	-0.5600991	-0.7258575	-0.04989427	-0.6295894	-0.19319099	-0.12424747	-0.015745254	-0.7343262	-0.000633171	-0.44401148	-0.12830384	-0.56023645	-0.13955268	-0.69027686	0.16523716	0.35838187	0.095696	-0.23695055	-0.13785556	0.29239485	0.23389518	-0.000973612	-0.059918996	0.1527584	0.60579807	-0.62001085	0.09671154	-0.24777718	0.98435706	-0.46909186	-0.97251564	-0.33232665	0.33035246	0.66443145	-0.43660372	-0.95082045	0.19887285	-0.25854293	0.87566406	0.65809107	-0.21503915	0.920726	-0.4455888	0.0283315	-0.7090611	-0.49740288	-0.43431768	0.21060145	-0.5163245	0.15761527	-0.15513784	0.39195985	0.66685736	0.2869426	-0.06558439	0.16358428	0.2821547	0.5196416	0.111651696	0.19452551	-0.843405	-0.98821616	-0.518576	-0.48624268	-0.40132338	-0.3484035	-0.4953467	-0.35799596	0.11348858	-0.99992716	0.14475425	-0.16022061	-0.84675175	0.001129957	-0.05040246	-0.2606455	0.02321909	-0.115787394	-0.41947913	0.26092356	0.093273245	0.43718112	0.08899944	0.40429828	0.995316	-0.5298175	-0.11593762	-0.2912592	-0.2524098	0.32168546	0.50058955	-0.42453945	0.21086149	-0.1023364	-0.77167004	-0.8963491	0.49219462	0.77715	-0.9595845	-0.4200829	0.26945758	0.47226933	-0.46455538	-0.49660507	-0.60785574	0.88213384	-0.63348657	-0.24467333	0.9985768	-0.28774378	-0.57851475	-0.40446156	-0.60973245	-0.15677072	-0.5481526	0.30338135	0.34304634	-0.50971645	0.45123205	0.99849963	0.08691008	0.036646392	-0.08207372	0.3376642	-0.15426107	-0.8946112	-0.4781891	0.116754964	-0.45996383	-0.51632303	-0.9997647	0.042155355	0.86731726	0.21562982	-0.6993875	0.6077952	-0.2446613	-0.15773182	0.61043483	-0.07367233	-0.012578201	-0.5158979	-0.45709503	0.59703815	-0.3613649	-0.3846003	0.50172657	0.9559219	-0.7134744	-0.5886425	-0.96876866	0.22440492	-0.4058449	-0.320991	-0.1150911	-0.3692367	0.40202543	0.4077848	0.26583427	0.4703874	0.054470703	0.11982355	-0.54775673	0.20363957	-0.33798525	0.18072501	-0.41965738	-0.15458637	-0.14310652	0.6379569	0.667934	-0.98522824	0.33705464	-0.003542974	-0.23160203	-0.14264199	0.35490248	-0.73764014	0.05738403	-0.21472976	-0.62797016	0.55087715	-0.0128613	0.3090455	0.07906389	-0.33007097	-0.7985397	-0.49380124	-0.3459164	0.3859894	-0.07014836	0.23777096	0.39185873	-0.0780537	0.61301595	0.004498082	-0.26203993	0.48533142	-0.31285322	-0.9993723	-0.3610309	0.27610514	0.29725176	-0.19059207	-0.19137757	0.2976706	-0.22756127	-0.23541795	-0.22780064	-0.06628435	0.21566477	0.25266483	0.08540364	-0.2902167	0.9830112	0.41401336	-0.45500183	0.2040737	0.43917173	-0.493647	0.4506493	-0.076620415	0.8223954	0.46697694	0.029014677	0.05542507	0.2506637	-0.32923174	0.36318028	0.16006516	0.86183554	-0.48869547	0.4839991	-0.5597317	0.060047463	-0.4406265	0.4970285	-0.7178305	-0.6481126	0.31464583	0.10328076	-0.97375715	-0.84414256	-0.34484857	0.3839296	-0.6152291	-0.6403934	0.19908993	0.63369924	0.035968464	-0.08213373	0.105681084	-0.1418648	-0.23267302	0.112468295	0.40491968	0.36056346	0.001167964	0.7345802	0.15610881	0.5924807	0.8532893	0.08482693	0.018012514	-0.66396827	-0.109487854	-0.36806053	-0.030247368	-0.43508068	0.39424855	0.3590366	0.9988315	-0.28059444	-0.58003557	-0.39107996	-0.35377103	0.3944347	0.009700439	0.41837788	0.14960402	0.42955333	0.99580693	0.29474318	0.8952315	-0.55698735	-0.8060615	0.9999429	-0.8602191	-0.48061392	0.46491838	0.049165387	0.30793995	-0.24178477	0.35643566	0.6322755	0.08050317	0.42314628	0.64092475	-0.016594635	0.4961417	-0.4218971	-0.69566905	-0.44461387	-0.04309603	-0.64608747	-0.556757	0.40740597	-0.32248083	-0.9522883	0.09336788	0.34461984	0.82417774	-0.178915	-0.39481124	0.14052595	0.15543024	-0.2173201	-0.84979373	-0.21367373	0.34768808	0.43593204	0.105848335	0.068989575	0.122353315	-0.31233832	-0.4691434	0.2659254	0.16843736	-0.22825506	-0.23449469	-0.43845865	0.002601319	0.35558876	0.52713555	-0.16972815	0.09992396	-0.41880435	-0.31501755	0.52004474	-0.092607595	-0.97478396	0.37921587	0.5092909	0.8345992	0.27406678	-0.37408587	-0.21855192	0.9998304	-0.73977405	0.57338846	0.6796027	-0.7343465	-0.08704656	-0.47891796	-0.59738725	0.60835755	0.27319384	-0.07966884	-0.1385512	0.046868548	-0.4808405	-0.5264119	0.33956334	0.13651195	0.36281177	0.99939895	-0.01440925	-0.53644913	0.5227377	0.52704257	-0.6693758	-0.17566153	-0.5004494	-0.2521198	0.56412745	0.4177311	0.44259644	-0.16395053	0.3729546	0.5585216	0.43832147	-0.117357574	-0.621301	0.33148307	0.0870922	-0.7357895	-0.5402263	-0.6776049	0.64764404	0.11367034	0.47126836	0.52508265	-0.024334222	0.7540219	-0.017336614	0.07433689	-0.8142917	0.48871505	-0.13186094	0.34381118	0.46168235	-0.052414346	-0.23480712	0.3991058	-0.12261333	0.4631845	0.9999524	-0.08285	-0.9683945	0.33275974	0.9998969	-0.23053591	0.11257627	-0.9987785	0.039260752	0.1527335	0.6756794	-0.6944517	0.39572436	-0.35879773	0.036105037	0.15496705	-0.28276286	-0.46993777	0.19119798	-0.422851	0.2301187	-0.33464396	-0.99995154	0.9830243	-0.9537062	0.8060508	0.21593125	-0.19034289	0.14757633	-0.28804135	-0.70522666	-0.86566687	-0.39595088	-0.023119802	-0.19836162	0.56742704	-0.48898152	-0.12736832	-0.2997264	-0.61571425	-0.015936995	-0.77918226	-0.99989605	-0.8078511	0.43367592	-0.39303824	-0.057775825	0.102881275	-0.66081226	-0.30598572	-0.2886501	-0.021385126	0.101016834	0.37925658	0.7000157	0.9786395	0.118525974	0.2654954	0.50171477	-0.82489276	-0.25074625	-0.30733702	-0.574814	-0.29418638	-0.2187282	-0.012136803	-0.36179227	-0.57410353	0.31474707	-0.4485046	0.48964623	-0.7007122	0.18977039	0.6654367	-0.23868783	-0.21936457	-0.28676197	0.8329332	-0.35975632	0.49491736	0.1236622	0.23492597	0.27249473	0.99991053	-0.07599444	-0.39910063	0.5139184	-0.5798329	-0.37514645	0.13356154	-0.9538524	-0.8155645	0.45544943	0.0773347	0.54454297	0.63012284
3	0	CCCCCC(O)CC(=O)CCc1ccc(O)c(OC)c1	0.21097592	0.16574389	0.05518824	0.49614096	0.25190502	0.39637583	0.058147244	0.41904563	0.17795695	-0.38189125	-0.8110881	-0.44560334	-0.024339689	-0.74712014	0.39329392	0.17965065	0.24984	0.1616135	-0.36886147	-0.19754934	0.26988286	-0.61128056	-0.09004832	0.04002297	-0.41839853	-0.27876726	0.36325625	-0.11263062	-0.0804372	-0.030602213	-0.16713728	-0.25588542	0.7264808	0.103257366	0.11340906	-0.26913878	-0.28913134	-0.08248801	0.99053204	-0.36670798	-0.45440382	0.032961037	-0.24403329	-0.1856997	0.23015532	-0.8096078	0.37237138	0.28892058	0.88844305	0.30379194	0.7923106	-0.4751433	0.25945273	0.24209245	-0.53743947	-0.47877708	0.7269184	0.4801317	0.48910442	0.18605201	-0.66979283	-0.16889723	-0.4606401	0.020939896	0.5998433	-0.3595985	-0.30819812	-0.2551701	0.18027964	-0.24917987	-0.6124255	-0.9464702	-0.4175362	0.3557923	0.3088565	0.17187636	0.16903546	0.57774305	-0.21191955	-0.99963963	-0.79088396	-0.44241285	-0.8592714	-0.041551203	0.25662866	-0.7533945	-0.28614077	-0.28991586	0.16309921	-0.44718286	0.013018613	0.50447774	0.57361335	-0.4783519	0.9908125	0.31860113	0.44189966	-0.17854731	0.3522918	0.29379556	-0.18629342	0.49652323	0.22469363	0.93426776	-0.93846595	-0.5646928	0.6777375	-0.40244025	-0.99905586	-0.15298247	0.16909887	-0.00336565	-0.13470478	-0.09696579	0.1560048	0.6179886	0.3634981	-0.13094403	0.99341613	0.470752	-0.5478543	0.014036194	0.1910219	-0.43844786	-0.4507221	-0.50855523	0.543164	0.21848895	-0.13797088	0.9993378	0.17375946	-0.18989334	-0.32541615	-0.5943606	-0.464793	-0.064493775	-0.15250863	0.4095888	-0.59033114	-0.32113257	-0.99901503	0.35490915	0.8697459	0.11418818	-0.06462268	-0.17466867	0.4148392	-0.6583172	-0.5234315	0.752149	0.17438196	-0.8363012	0.79798985	0.33786398	0.23485154	0.29895923	0.35095826	0.77067775	-0.63750815	-0.40094072	-0.9002316	0.066256806	0.30025312	-0.009972182	-0.017424783	0.110375315	-0.6874247	-0.3554519	0.496697	-0.49438357	0.405486	0.09919672	0.70967877	-0.4772106	0.30371282	-0.9364592	-0.19244611	0.7219261	-0.50326234	-0.03615697	-0.10885451	-0.89704007	0.71118367	0.05576823	0.3537896	-0.1716949	-0.6016643	0.08929168	-0.109203696	0.18700913	-0.46016923	0.48115766	-0.04851096	0.27514678	-0.4169041	0.2132009	0.2985505	-0.36763334	0.28585035	0.12894846	0.011771765	-0.58539236	0.6185545	0.21317892	0.11797741	-0.7489405	-0.122058555	-0.60790867	0.096498474	-0.99964136	-0.40575275	0.16593288	-0.18102247	-0.7035547	0.22869201	0.38883865	-0.1059706	0.21776997	-0.080983944	0.025162606	0.22284105	-0.24745531	-0.43206847	-0.58157295	0.99990046	0.035475332	-0.39372364	0.7845562	-0.027521646	-0.3050197	0.65696055	-0.1299224	-0.20462684	0.10690642	0.36785945	0.64762795	0.12510933	-0.1589067	-0.03990073	0.016896771	0.8724011	0.6496814	0.55837405	-0.40067983	-0.42239147	0.3978835	-0.054430287	0.20036681	-0.5176278	-0.34566465	-0.32153887	-0.9983086	0.30080348	0.7470348	-0.35729837	-0.49188203	0.32362917	-0.7634117	0.77375054	-0.002794389	-0.116696246	-0.1843213	-0.36790696	-0.5289666	0.63939047	0.6253027	0.28097716	-0.16674536	-0.5106721	-0.71725744	-0.3940218	0.9927346	-0.028490322	0.47575256	-0.4078994	-0.6448662	-0.05699491	0.04790664	0.5487266	0.45637077	0.022794139	0.9980128	-0.40936017	-0.13196608	-0.22253755	0.003969146	0.4156562	-0.30407187	-0.6881434	0.19705012	0.36378354	0.98406595	-0.5756385	0.1043438	-0.27234992	0.3682529	0.99862623	-0.9638609	-0.10814463	0.043688796	0.11658749	-0.13230328	-0.41718006	0.2448345	-0.45263797	-0.8935454	-0.71799856	0.24420276	0.7761362	0.15714346	0.0823583	0.21443003	0.31169423	-0.10900575	0.23040384	-0.3050269	0.05442038	-0.03581985	0.9394925	-0.16554385	-0.304774	-0.18702587	-0.06701377	-0.78342783	-0.023316128	0.4254313	0.39054838	-0.64500666	0.37502417	-0.25482464	-0.20998561	0.23974332	-0.46418512	0.3603755	0.1931934	0.07212624	0.60856277	0.53415555	0.6083919	0.47916076	-0.05842747	0.7400683	0.27138567	0.4158322	0.20375799	0.38708696	-0.35006243	-0.60894746	0.59967524	-0.34417254	-0.9582373	-0.3655514	-0.02685052	-0.045054115	0.24741277	0.61857605	0.552627	0.99980825	-0.44497195	0.49766695	0.18107356	0.8904271	0.47278607	0.3967024	-0.7797736	-0.13318668	-0.2660349	-0.53945214	0.19453368	-0.75260186	0.33803266	0.08988745	-0.45892742	0.23113462	0.51263446	1	-0.56085825	0.09627939	0.12548849	-0.13343142	-0.30679074	0.50629777	0.34597492	0.018170787	0.47948626	-0.49394763	0.4628344	0.27089036	-0.23288874	0.26009792	-0.039346837	0.5076353	-0.14192756	-0.136032	0.36611226	-0.88613564	0.25133923	-0.3510788	-0.706286	0.1768968	0.39895907	-0.38496405	-0.46369416	-0.5300815	-0.075588	0.31046867	-0.08584992	-0.68363106	0.34823006	-0.18908606	-0.46938804	-0.32734138	-0.23150016	-0.7419822	0.014694697	-0.27646795	0.91106945	0.08385801	-0.93470865	-0.22255613	0.99929184	-0.60203254	-0.39640322	-0.962009	-0.07941899	-0.43515694	-0.74829113	-0.11081604	0.46053848	0.38257188	0.40128657	-0.502829	0.40950695	-0.22753076	-0.3495164	-0.5536107	0.27197894	0.08207152	-0.9999091	-0.9866191	-0.59294516	-0.08318092	-0.1649836	-0.06458976	0.34968308	-0.3879346	0.5522161	-0.42760012	0.20592375	0.4042663	-0.15312053	0.24570638	-0.012463421	0.32922566	0.4481266	-0.43571648	-0.43834156	-0.10637357	-0.99974847	-0.26628074	0.047005627	0.31004187	0.43407273	-0.26764396	-0.7514259	0.087647036	-0.46367076	0.5954202	0.21893258	-0.005496744	0.5316609	0.9436113	-0.01905096	-0.6905924	0.33696586	0.43145907	0.00795219	-0.64797795	-0.046134286	-0.36431915	-0.7354357	0.21682362	-0.80298877	-0.20252685	-0.27556813	0.07629031	0.7550965	-0.47019234	0.43136293	-0.007884475	-0.8553023	0.40968907	0.25212777	0.9851099	-0.23427124	-0.30479416	0.11253828	-0.13659488	0.2909311	0.9999974	0.44517577	-0.06951448	-0.44635522	0.54705626	0.37404066	0.34507608	-0.9936743	-0.1635703	0.29606462	-0.29178637	0.22699912	-0.67734087
4	0	CC=Cc1ccc(OC)cc1	-0.509235	-0.049128562	0.29082406	0.59738106	0.17349744	0.1642402	-0.19914626	0.07017781	-0.5703697	-0.20990196	-0.3487406	-0.30951613	-0.0646679	-0.67283154	0.5183413	-0.23076214	0.23962042	0.011268673	0.15083292	0.038923986	0.5561749	-0.87903047	0.33366516	0.3141985	-0.29584503	-0.25284722	0.19240291	0.47672358	-0.1782826	-0.4475093	-0.1561987	0.14359091	0.35901532	0.103848174	-0.16937402	0.06561735	-0.29084918	0.6520381	-0.20531255	-0.9483952	-0.9971976	-0.5063242	-0.41129434	-0.1903837	0.32914385	-0.994632	-0.16402413	0.11270471	0.9889007	0.06017228	0.31336433	-0.115855515	-0.06172344	0.042096753	-0.943836	0.04473867	-0.3174521	0.9679424	-0.05951368	-0.087528944	-0.19157682	-0.25649515	0.5377711	0.005460812	0.08842531	0.034080967	-0.4227445	0.2823169	-0.013783481	-0.003846577	0.9566272	-0.9727797	0.55896294	0.23022105	0.7612348	0.3104001	-0.43353632	-0.24500735	-0.22857289	-0.99814194	-0.10805862	-0.06255979	-0.7642036	-0.53377044	0.44280198	0.22177973	0.12258511	-0.38902897	0.2568684	-0.1502383	0.24932796	0.02724083	-0.19784203	-0.14346907	0.05370009	-0.04756969	0.6395489	-0.5162543	0.29215905	0.09603337	-0.10979147	0.3081347	-0.026062267	-0.43766025	0.9518581	0.12288199	-0.09854624	0.1435368	0.97846144	0.002366706	0.4879926	-0.41990793	0.43330827	-0.089673296	-0.30926773	0.5461242	0.031339753	0.43349895	0.9985207	-0.09988773	-0.15661712	-0.11038807	-0.001053072	-0.33594844	-0.11036861	0.4038284	0.08249877	0.116192974	-0.35065803	0.9995225	-0.48441085	0.31420636	-0.23058598	-0.16595793	0.2867207	-0.86001855	0.33367515	0.5010224	-0.63540983	-0.04130159	-0.9915064	-0.032874003	0.99602354	0.13868757	0.24676217	0.5839814	-0.2762074	-0.23465897	0.9925778	0.38519892	0.02595322	-0.73158574	0.2505298	-0.20466566	-0.3556765	-0.10678477	-0.3876593	0.9990348	-0.17891958	-0.8981699	-0.9913444	0.11783913	0.071841985	0.38962054	-0.23643485	0.107783064	0.43390062	0.06774934	0.050909758	-0.4497558	-0.62995505	-0.039162792	0.27646253	-0.58680964	-0.068842165	-0.9728879	-0.7629675	-0.45148584	-0.66232395	-0.4500757	0.14791518	0.59938926	-0.012432336	0.6203213	-0.95688194	-0.23515765	0.43564615	0.34622627	0.040285084	0.081130184	0.28465837	0.17547204	0.23891655	0.46396005	0.2224428	-0.022737637	0.13143378	-0.836891	0.37767524	-0.18954326	0.096212834	-0.35992846	-0.19267252	0.38789856	0.37446028	-0.036371976	0.25871077	-0.5280491	-0.12460851	-0.80121744	-0.6798843	-0.10574134	0.39208108	-0.49991092	0.06780405	0.39960462	0.17470129	0.2093209	0.2848265	0.5285744	0.35570478	-0.18449889	-0.3186399	-0.19696346	-0.91095597	-0.11639175	0.115555994	0.59487796	-0.33097538	0.1423006	-0.13148017	-0.568651	0.31523758	-0.42653358	-0.087086394	-0.5872323	-0.20828159	-0.090682775	0.20332634	-0.070753165	0.9068059	0.22214565	-0.40268403	-0.016688578	0.42136148	0.000456251	0.11767748	0.3459174	-0.47345355	0.011669496	0.12135799	-0.99710554	-0.26743573	0.18371296	0.43754834	0.11087322	-0.5763592	-0.21774663	0.4427522	0.1669093	-0.72667027	0.3124072	-0.6242392	-0.13519134	0.17937727	0.16467728	0.39946914	0.4512929	0.33931267	0.45272794	-0.048489694	-0.5942314	0.20611723	0.062164407	-0.07135113	-0.59083545	0.008910926	-0.42255744	0.19169344	0.70716184	-0.007007288	0.9992308	0.13321878	0.4762028	-0.11646023	0.36555406	-0.0630069	0.29204947	0.97181326	0.5568929	0.11135197	0.99934226	0.29436147	0.7860026	0.023299048	0.22701241	0.99712396	-0.9693871	0.476299	-0.27125576	-0.120108664	-0.10523725	-0.029858993	0.26412928	0.20739955	-0.66317713	0.99774134	0.30182296	-0.27325106	-0.26305628	-0.58244276	0.11973375	0.4261125	-0.37545028	0.933843	-0.38352835	0.05628257	0.3986793	-0.9999307	0.038463634	0.22035782	0.19740452	0.3313248	-0.49209884	-0.20044053	-0.33113027	0.44023737	-0.9268613	0.08473129	-0.21515237	0.12543763	-0.51403654	0.04094437	-0.24919058	0.17323293	0.41616052	0.31302968	-0.29723272	-0.36795312	-0.28544667	0.27210236	-0.19396406	0.15184715	0.8046218	0.4542873	0.4058354	-0.19482122	0.04184027	-0.1789265	0.95706606	-0.9957761	0.110765025	-0.68127453	-0.021806305	-0.43163326	-0.046087362	0.56946826	0.99468553	0.17070004	-0.5157697	-0.08639535	0.2325237	0.1514324	-0.20197673	-0.8305798	0.19655003	-0.3415227	-0.6372163	-0.30574566	0.1642226	0.25030473	-0.2467481	0.00777002	0.961775	0.39472845	1	-0.498269	-0.028739115	-0.3714772	-0.06714797	-0.9419504	0.050040253	-0.030017218	-0.20321284	0.2171988	-0.15434815	-0.0999374	-0.002081059	0.46558088	0.5646267	0.019400582	0.09170922	0.12440794	-0.63543373	-0.3569016	-0.3717328	0.095330775	-0.30426267	0.72606	-0.26241115	-0.97441304	0.12713057	-0.20277837	0.09110904	-0.29828972	-0.72084075	-0.5318323	-0.26678476	-0.011003062	-0.22558866	0.37652457	0.21377786	-0.25347975	-0.2173023	0.12403383	-0.36287066	0.9999998	0.3766796	-0.98371464	-0.29927415	0.9980645	-0.25740895	-0.1830073	-0.99985254	0.3966499	0.24565013	0.48512194	0.3414538	-0.27822262	0.42869338	0.16908039	0.40227947	-0.34948528	-0.008810516	-0.084036514	0.43683913	0.35623026	0.31370598	-0.9998296	-0.9992438	-0.9914258	-0.0403767	0.3536038	-0.30565462	0.19442894	-0.16715807	-0.6774801	-0.046459965	0.53280944	-0.3521484	-0.7622117	-0.5448823	0.46001208	-0.18863852	0.40153122	-0.05600759	-0.42013863	-0.9867356	-0.9998305	-0.003985433	-0.24228197	-0.024935493	0.38649625	-0.19498546	-0.9951552	-0.3695102	-0.4036434	-0.07247397	-0.23585	-0.2783523	-0.2370588	0.91496503	0.18087922	0.8303174	-0.01734287	0.4658068	0.5740631	-0.82999986	0.14824933	-0.021739466	-0.684445	-0.020504043	-0.23353991	-0.021661924	-0.13015552	-0.23961093	-0.19058108	-0.38593668	0.2474086	0.45327154	-0.02766877	0.20716514	0.3889784	-0.9302066	-0.1260887	0.22510487	0.09175102	0.28265247	0.19724463	0.99650747	0.25349376	0.087100044	0.23903798	0.0866391	-0.08328382	-0.27870807	0.7237504	0.2110446	0.32153353	-0.23024815	0.63954985	0.3497979
5	0	O=C(NC1CN2CCC1CC2)c1cc2ccoc2cn1	-0.78340566	-0.07983516	0.10866578	-0.36969048	0.32420185	-0.57176715	0.50336504	0.49951535	0.64961123	0.31910905	0.18884856	-0.041681763	-0.3443881	-0.322875	-0.04870392	0.8453026	0.42427525	-0.8420904	0.2753124	0.06748151	-0.42340446	-0.644718	0.09774999	-0.14596896	-0.4979873	0.10278269	-0.59363115	-0.46616918	-0.35959345	-0.29850575	0.26374105	-0.28663576	0.19501694	0.1543952	-0.6768992	0.08388115	0.70076835	-0.28805295	0.99121094	-0.7003938	-0.97133523	0.32888708	0.33440414	0.38471037	-0.1937893	-0.9029633	0.22529434	-0.12155047	0.06829308	-0.28318155	0.43581662	-0.1785913	0.72255075	0.51994544	-0.092640094	-0.3417848	-0.019359343	0.37430766	0.08596222	0.23122635	0.3136548	-0.4472411	0.046911363	0.11798263	0.43704855	-0.34361407	-0.50897086	0.55830896	-0.30020186	-0.27308893	-0.9584745	-0.9963747	0.19861993	-0.01277389	-0.22761229	0.088312946	-0.7858367	-0.34713757	0.004912079	-0.999792	0.55760634	-0.0580223	-0.8154353	-0.6625005	-0.09492961	-0.3953131	0.13967343	-0.29567277	0.12972629	0.29424915	-0.5795836	-0.50111663	-0.16220865	-0.06698883	0.9983865	0.4810887	-0.3128289	0.53592664	-0.39874914	0.46384805	-0.4182681	0.4942585	0.44678748	0.98328555	-0.8817002	-0.7754551	0.22369832	-0.26655343	-0.9748206	-0.5417801	-0.23929425	0.0737559	0.15602282	0.12673268	-0.032184977	0.66113704	0.17658007	0.6821524	0.9947713	0.8251739	-0.65227574	-0.005394721	-0.28948104	0.5590726	-0.40591848	-0.19051574	0.31380904	0.66498303	0.39314362	0.9967546	0.44876555	-0.7029272	0.07856079	-0.64030427	0.34647095	-0.98455065	0.42723703	-0.40730882	0.6490725	0.33769885	-0.9999992	-0.31417173	0.8195544	-0.5991536	0.7499635	-0.09271542	0.19765288	-0.7253962	0.018912882	-0.6806372	-0.40254778	0.96709836	-0.040926553	-0.7143802	-0.31744662	0.47354323	-0.052686106	0.86203915	0.37803277	0.47144642	-0.9463044	0.1953077	0.019152455	-0.171746	-0.18077888	-0.011701488	-0.7412649	0.16034897	-0.16349663	-0.6634973	0.61060905	0.20376287	0.000368472	-0.6249662	-0.12104835	-0.8226101	0.7007896	-0.5276168	-0.054049786	0.29074124	0.10999194	-0.69788986	0.111178525	0.6782482	-0.11607024	0.5185295	0.3606622	-0.07832521	0.026088228	0.7508333	0.3885484	-0.19974717	-0.62233865	-0.4654613	-0.20197847	-0.03379223	-0.41540772	-0.75221324	0.531279	-0.5193189	-0.21031822	0.0927997	0.37560543	-0.4323989	-0.07072462	0.52430034	-0.22120222	-0.11134811	0.07704471	-0.99969757	0.66273916	-0.50981313	0.48273012	-0.2704533	-0.7876385	0.32497403	-0.1401989	-0.45408562	-0.5439795	-0.5790006	-0.41081172	-0.71744967	-0.2767533	0.5928785	-0.9617401	-0.6062934	-0.46303186	-0.44873616	0.04850768	0.16731155	-0.15983523	0.7933251	-0.28126433	-0.44431543	-0.7216863	0.45017222	0.22680978	0.31278557	-0.27620143	0.034793343	0.86376655	0.12862524	-0.14798383	-0.00181707	-0.47136033	0.41834253	0.3756612	-0.24765673	0.52333844	0.3264217	0.30195805	0.041648377	-0.185313	0.07440493	0.35837108	0.0879199	0.061737668	0.22288918	0.41545793	-0.11963547	0.669792	-0.1319082	-0.4239937	0.17738341	-0.055831246	0.21211225	0.5275359	0.3256566	0.7009212	0.27625835	-0.34654537	0.9378842	-0.2779938	-0.5302316	0.31160724	0.7983693	-0.4225469	0.016725007	0.60573584	0.2104798	-0.27320263	0.9990119	-0.2177186	0.6350238	-0.17120402	0.16040376	0.028142566	-0.066322416	-0.8270008	0.008588386	0.11369997	0.98818713	-0.000942008	-0.6898051	-0.38316032	0.2811229	0.99999934	-0.8912831	0.6050828	-0.2582133	-0.494335	0.84828806	0.39851448	-0.30053365	0.032456	0.09177327	-0.6627256	0.38297084	0.50150144	0.12881856	-0.83469963	0.066496655	-0.24445178	-0.11333838	0.6228912	0.23449494	0.42687753	-0.1941758	-0.95042545	-0.3826355	0.043506794	-0.023833701	0.49340004	-0.16548884	0.20817363	0.47981414	0.28073132	-0.516023	0.14658155	-0.08624388	-0.41337362	0.7410238	-0.37959015	-0.28031516	-0.4399876	-0.6991949	0.049583077	-0.29571667	-0.10702317	0.057673845	0.115935504	0.6013943	0.16203852	0.07983403	-0.053434696	0.6849276	0.30788174	-0.12465209	-0.011164798	-0.13481726	-0.98588663	-0.20019673	0.43400815	-0.011700639	0.21838291	-0.08005867	0.18293113	0.9993066	-0.38757953	-0.30221987	0.20246401	-0.05197464	0.31013897	0.14635606	-0.10802963	0.013516529	-0.121825896	-0.30891684	0.41316554	-0.06809782	-0.35288534	-0.41216698	-0.47122422	0.23046413	-0.03830017	-0.9999997	0.72602606	0.29924586	-0.4942477	-0.29214558	0.14841369	-0.153713	0.0820031	0.25984424	0.12553835	-0.05098332	0.75497144	-0.5396531	0.280804	-0.79607296	-0.38916576	0.2437135	-0.3942896	0.6025841	-0.004703453	0.2895916	0.62231916	0.42709917	-0.22185254	-0.34934863	0.5912015	-0.009598767	0.75594556	-0.08411995	-0.18369152	-0.3484726	-0.7774854	-0.59754455	0.10859947	-0.036324725	0.42488748	-0.08790149	0.47067267	-0.3215461	-0.17378716	0.49134713	0.9999349	0.46071777	-0.9687612	0.18449275	0.99946624	-0.26798353	0.3455993	-0.9990975	0.29327032	-0.76559776	0.4488784	0.34963807	-0.34230715	0.13812892	-0.45485747	0.60018194	-0.22004835	0.14286429	0.16609898	0.30026382	-0.22808434	-0.38188425	-0.9999715	1	-0.6172247	0.13220604	0.00418838	0.33638272	0.32280684	-0.15986736	-0.63398886	-0.45939478	0.20343229	-0.15977928	-0.21299492	-0.54574955	-0.6642656	0.6081468	-0.3786676	0.2867043	-0.10907318	-0.4778155	-0.99987996	0.07074331	-0.2593121	-0.06729551	-0.6187248	0.519441	-0.7855761	-0.6842394	-0.022031829	-0.40528846	0.43627146	0.17514473	0.8281434	0.87571496	0.43228522	0.9100875	-0.21802783	0.4914143	-0.6861551	-0.20963514	-0.7756447	-0.5395515	0.6696257	0.29752085	0.68156946	-0.13884698	0.11624583	-0.4257836	0.14733249	0.07001324	-0.28074914	-0.6659716	-0.5895879	0.12951846	0.23179229	0.97385716	0.24563295	-0.53377473	-0.7241801	-0.57319474	-0.5897544	0.99996525	0.14634648	-0.15657048	0.06592961	-0.48920733	0.1922785	0.32293892	-0.9842365	-0.103212014	-0.5742399	0.1887753	-0.058378205	0.25565532
6	0	CSC1=NC(C)(c2ccccc2)C(=O)N1Nc1ccccc1	0.3250268	-0.20041183	-0.122003146	-0.77393734	0.13884035	-0.6364539	-0.34218678	0.69655836	0.08454779	-0.67635286	-0.016414411	-0.2234438	0.097817086	-0.7649776	-0.24806058	0.1305344	-0.3798736	0.39861098	0.18168499	-0.043362178	0.50074446	-0.072768785	0.52767193	-0.09905029	0.5066037	-0.012612216	0.27724364	-0.08889802	0.29779604	0.5639334	0.093919024	-0.36845127	-0.2547587	0.34757185	-0.4507212	-0.18021299	0.566408	-0.14891198	0.9982866	-0.8040844	-0.93570375	-0.4463047	0.20351972	0.41833472	0.083695084	-0.63584405	-0.020020979	0.36094496	0.7745959	0.6664755	-0.76397634	0.059573416	0.14743173	-0.23831472	-0.37518278	0.5689098	-0.65939647	-0.2435835	0.002119597	-0.36485067	0.12237494	0.6078255	0.10505602	0.35990524	-0.19544351	0.016516339	0.03292985	0.68263566	-0.032535464	0.25039878	-0.33661535	-0.9601674	0.08633849	0.24096243	0.5249073	-0.8352404	0.27171358	-0.41572833	-0.22932468	-0.9981463	-0.5446675	0.53745955	-0.8452073	-0.5505706	-0.30262655	-0.6708007	-0.04122822	-0.29227072	-0.10210133	-0.65108263	-0.29306105	-0.14508261	0.50760216	0.3573732	0.9935956	0.049236923	0.26593134	-0.015745537	0.11237493	-0.24779683	0.312265	0.2751225	0.5162896	0.9004759	-0.9854307	-0.6155689	0.07453963	-0.20990984	-0.72423536	-0.538433	-0.01917112	-0.09832755	-0.27624863	-0.13187055	0.038697403	0.44143754	-0.09468526	-0.2205596	0.99393153	-0.7741463	-0.015879504	-0.8136275	0.57269526	-0.10220511	0.07495799	-0.5220559	0.18875468	0.42168927	-0.42747653	0.99942905	-0.09794127	-0.27793378	0.3590531	0.020353619	0.4227634	-0.98813945	-0.4428107	0.58171177	-0.51699835	0.031105384	-0.99999833	0.32464248	0.8623045	-0.28272218	-0.049561225	0.6826007	0.14200643	-0.22856408	-0.7946841	-0.16620357	0.35835892	0.23994292	0.18848503	-0.3249832	0.46973342	-0.20624088	0.4069278	0.60457134	-0.6938977	0.044978872	-0.86249644	-0.4368242	-0.24993509	0.5634727	-0.35861722	0.7171049	0.45809403	0.55197173	-0.518733	-0.17207766	-0.34270996	-0.6495683	0.31092775	0.50456977	-0.38293758	-0.74208736	-0.6120167	0.17611055	-0.6415396	-0.547649	-0.033944298	-0.67882246	-0.51193863	-0.21971612	0.09285556	-0.6300622	0.8754118	-0.7364213	0.20912589	-0.6595929	-0.36780015	-0.44696715	0.7290787	0.10167926	0.5148027	-0.7235513	-0.6618204	-0.71571606	0.49435133	0.38843325	0.70811653	-0.19261885	-0.014488344	-0.19463967	0.1973096	-0.38611853	-0.4805609	-0.025852786	0.40532392	-0.9998701	-0.47534987	-0.18592447	-0.30185455	0.45274758	0.48875412	-0.4326168	-0.20448588	-0.5486264	0.4220016	0.6837673	-0.15707622	0.26995578	-0.48961705	-0.17180702	-0.9736255	-0.18995683	0.36745444	-0.17661236	-0.10582184	0.031018445	-0.49512827	0.25695682	0.8322006	-0.22797436	0.01584713	-0.07773561	-0.4453194	0.33464333	-0.05248349	0.07587494	0.7887698	0.3062752	-0.34908438	-0.08080004	0.28897434	0.63438183	-0.60763544	-0.08711877	-0.13500176	-0.6279635	-0.41352418	-0.69401157	-0.19631019	-0.28994933	-0.05443139	-0.51708436	-0.46903515	0.23000649	0.4871393	-0.46660373	0.012158795	0.37875924	0.24567226	0.005398809	0.08247014	0.36279917	0.26955885	-0.4330163	0.33069053	-0.09921935	-0.6711442	0.9954648	-0.639338	0.14886749	-0.357208	-0.520486	0.10276179	-0.2043386	-0.06457482	0.21497616	0.16866864	0.99840087	-0.32976264	-0.5101507	0.32747462	-0.2292864	0.4096387	0.3164436	-0.7626107	0.04833602	0.07570609	0.97420436	0.20173648	0.36823264	0.64219284	0.28960323	0.99999976	-0.9716156	0.07011838	0.44063753	-0.61919695	-0.6603409	0.25187337	-0.3724536	0.2922215	0.8200923	-0.7260461	0.3987324	0.46147	-0.14789768	0.32617772	0.12808016	0.5754487	-0.16930462	0.5570094	0.023188464	0.09075284	0.11256686	-0.96814823	0.4593616	-0.6070259	0.40547237	0.47794482	-0.019322684	-0.23535562	-0.49335915	-0.8782966	-0.6316244	0.19017678	-0.11724089	0.1377247	0.6153961	0.43662134	0.19828498	0.8813949	0.27367187	-0.33308113	-0.2940195	-0.32260817	-0.13612166	-0.30696085	0.28473917	0.45171827	0.62181044	0.2669596	0.12330751	0.28403112	0.8215913	-0.43675074	-0.7274821	-0.9551539	-0.3420368	0.5525401	0.10319994	-0.26801777	0.0312023	0.27809983	0.999795	-0.050362892	0.05681892	0.36834595	0.27043104	-0.5346462	-0.07236564	-0.82433313	-0.34654683	-0.5329628	0.28922027	-0.83016175	0.16341011	0.06626259	-0.18048485	0.5221312	-0.48693258	0.38795376	-0.99030626	0.11041677	-0.16196007	-0.2056596	0.092839204	-0.49106765	-0.28453818	-0.005929423	0.1427694	-0.26169863	-0.052695204	-0.20180432	0.64757544	0.3695199	-0.36876637	0.49068484	-0.43892497	0.1371492	0.33772555	-0.29610306	-0.30510595	-0.10711968	-0.4689898	0.34465995	-0.13083917	0.195691	0.35071582	0.3380574	0.24660484	-0.33210355	-0.62450814	-0.7422245	-0.010795797	-0.32236165	-0.20942152	0.2774855	0.2663537	0.8380125	-0.15763038	-0.5336892	-0.5764438	0.9999503	-0.2000294	-0.9356047	0.5273341	0.9993559	-0.38091618	-0.47783583	-0.9985025	-0.11612277	-0.586209	0.53792465	0.8212496	-0.24823865	0.124099344	0.015280569	0.25454682	-0.4166352	-0.8454346	-0.34279084	0.07686181	0.14476457	-0.23798421	-0.99997914	0.9999993	-0.6852933	-0.04645038	0.44298893	-0.32135296	0.17550261	-0.15873326	-0.6509437	0.78255206	0.1585179	0.37595075	0.01037589	-0.39417475	0.23021096	-0.6501571	-0.3661693	0.036755282	-0.16312857	0.26995152	-0.9998811	0.007786626	0.18754004	-0.29956418	-0.14236504	-0.34037286	-0.8806084	-0.21584421	0.24184513	0.38202718	0.07203509	0.43025708	0.53669935	0.8651992	0.1355014	0.49017552	-0.06348137	0.18795069	0.42427537	-0.47507808	-0.17390552	-0.107700594	0.46127632	-0.3369301	-0.99584574	0.3677997	0.36277303	-0.5522437	-0.48498496	-0.05321198	-0.36542928	-0.114362136	0.2321637	-0.36187723	0.5362786	0.9855785	0.6183737	0.17295605	-0.65640867	-0.54799503	-0.19887665	0.99991906	0.39225414	-0.23942204	0.16762342	-0.12127762	0.33615828	-0.44123185	-0.99193203	-0.16227686	0.28398284	-0.7086581	0.26184326	0.39854106
7	0	C[N+]1(C)CCCCC1	-0.62869203	-0.24167505	0.15008721	0.03587565	-0.49724522	-0.27214897	-0.20594713	-0.5277736	-0.31139037	-0.17065921	-0.5515085	-0.19157402	0.5595919	0.19069189	-0.4149078	0.45684853	-0.2506735	0.078369915	-0.39269271	0.35102934	-0.578879	-0.8634059	-0.022427533	0.11643604	0.32598266	-0.124008976	-0.21062881	-0.028295796	0.8013873	-0.4176421	-0.099772684	0.7240173	0.4763745	0.11251289	-0.51635116	0.09133043	-0.66039896	0.33575267	-0.8861209	-0.9224877	-0.9974936	-0.4596513	-0.09123864	-0.4005214	0.6090187	-0.996796	0.055178124	0.41133115	0.9991791	0.016216934	0.20265956	-0.5976875	-0.2116019	-0.2657046	-0.9607145	0.36725354	0.28505537	0.97687393	-0.3150182	-0.2755412	-0.5126217	-0.4850644	0.52900803	0.22851707	0.17898823	0.32000536	0.60054356	0.37871853	-0.02470599	0.06110459	0.9372111	-0.99308544	0.096651495	0.87490773	0.536275	0.44682768	-0.14343058	0.49617353	0.37569827	-0.99952465	-0.4785111	-0.04821348	-0.79289126	-0.5169825	0.31457466	0.764997	0.4601513	0.029366408	0.13170214	-0.025482535	0.45405215	-0.13255604	-0.13077794	0.12353846	-0.1712149	-0.2652997	-0.44148374	-0.38989344	0.46812427	-0.68909425	0.40611598	-0.21809132	-0.40036303	-0.4567448	0.988424	0.77174926	0.30704838	0.10000744	0.9859885	-0.75588924	-0.23800737	0.07839224	0.5759396	0.10367677	-0.40508255	0.6377099	0.06633248	0.0847591	0.9987442	0.62221324	0.20103414	0.16928078	0.2119957	0.08428628	0.1720058	0.12742497	-0.70976293	0.31552988	-0.11865775	0.99787664	0.20066378	0.5984959	0.15300205	-0.2904807	0.6675897	-0.711454	-0.32098055	0.12831348	-0.04328098	-0.32455596	-0.99808156	-0.0970989	0.9958205	0.40054372	-0.43669894	-0.16808194	0.6577102	-0.2146397	0.9969946	-0.09970545	-0.2694109	-0.51116353	0.45654106	-0.028346008	-0.3991635	-0.28394333	-0.02742671	0.99944985	0.4055435	-0.92983276	-0.99186426	-0.34949753	-0.109690204	0.42139432	0.33837077	0.061193623	0.6020603	0.2619218	-0.4797844	0.056546524	-0.9130086	-0.578427	0.20526898	0.34409446	-0.050932977	-0.97517407	0.8470053	-0.063461855	0.05736935	-0.2571241	0.31075707	0.8120954	0.39003938	0.45278576	-0.9184687	-0.5363037	0.1027567	0.18394367	0.32091996	0.7327274	0.40343642	0.21061556	0.077898964	0.053381167	0.20127761	-0.42391217	-0.44395542	-0.75610584	0.6352137	0.12394835	-0.111923866	0.022798315	-0.6252203	-0.5597517	-0.055213846	0.44750378	-0.21819067	0.43544933	-0.06447287	0.1045284	0.15786101	-0.3395606	0.26872402	-0.20104706	0.74329275	0.40315583	0.007798664	-0.53984225	0.04719205	0.32201317	-0.282981	-0.5760827	-0.14276993	0.37300324	-0.9278537	0.33183905	-0.03708876	0.049376607	0.32956913	-0.3055688	0.09072667	-0.17223968	0.3447084	0.07391169	-0.13436517	-0.39586863	-0.13842396	0.4470883	-0.103917256	-0.36722443	-0.91420686	-0.220624	-0.3209015	0.16094476	-0.44922754	-0.37326336	0.4487061	-0.2039693	-0.11822559	0.02152391	0.22862048	-0.9950093	-0.50014156	0.4909703	0.24225797	0.6016271	-0.72844654	0.48821455	-0.06341406	-0.6162736	-0.6863568	0.5571632	-0.19184345	-0.1956886	0.25176537	-0.36534414	0.46300337	-0.15996584	0.8783046	-0.45644158	-0.45379674	0.014945997	0.57993174	0.59904575	-0.25786155	0.48212516	0.5356629	-0.87847877	-0.24189864	0.012930633	-0.12544811	0.99917555	0.19905043	0.5862094	-0.111362435	0.015460333	-0.33208674	0.4199553	0.85643375	-0.37070668	-0.058406644	0.9994204	0.7154017	0.39738965	0.12007622	0.32311487	0.99840736	-0.8187808	0.4178026	-0.44102308	-0.2731827	-0.24523574	0.82294023	-0.042004257	-0.36539587	-0.18748589	0.9995017	-0.1385908	-0.33403188	0.25031018	-0.20420448	-0.22824407	-0.124980375	-0.29913306	0.94141585	0.06460421	0.5396904	-0.48908556	-0.99996674	-0.062503375	-0.06777414	0.7491817	0.56596524	-0.16675277	-0.3745301	0.18206441	0.2590325	-0.8585097	-0.34041107	0.41573596	0.032129463	0.26533315	0.35912558	-0.22809139	0.28517222	0.14835173	-0.22593138	-0.049646594	-0.028438821	-0.43284407	0.153361	-0.3121801	-0.044840664	0.64477515	-0.2227522	-0.044463914	0.39130497	-0.30811858	0.4333961	0.97167706	-0.99304706	0.24544035	0.2115221	-0.07064113	0.28320017	-0.3676886	0.13297081	0.9270796	-0.6620217	-0.75316894	0.28351396	0.3305303	-0.26848203	-0.038044255	-0.19998567	0.086549915	0.14411348	-0.6224711	-0.56257313	-0.45506483	0.4626584	-0.34120786	0.0378069	0.9499268	-0.29247573	0.9999998	0.23705785	-0.19522259	0.39945897	-0.6727401	-0.9160045	-0.45053476	0.25032118	-0.3901998	-0.11145606	-0.52056354	0.09065616	0.0658385	0.29883775	-0.5084872	0.07659485	-0.21315017	0.54243004	-0.110872075	-0.23995808	0.102734804	0.001834994	0.7422304	0.8156173	0.07223579	-0.9820941	-0.33920082	-0.36746016	-0.181519	-0.02930047	-0.5684018	-0.48452544	-0.0398962	-0.52150244	0.00235577	0.6217217	0.46686804	-0.25067174	-0.187793	0.1098121	-0.38709673	0.99999976	0.49201462	-0.985324	0.15307398	0.9904121	-0.07481553	0.06503041	-0.9999419	-0.13280137	0.26493648	-0.24825127	-0.00809163	-0.504731	0.4471349	-0.29439506	0.56143063	-0.41258022	-0.63337666	-0.1762032	-0.45019144	-0.4599975	0.041856386	-0.99986213	-0.9953628	-0.99474496	-0.43389598	-0.035759296	-0.1445216	-0.4520752	-0.4369613	-0.28813863	0.75069165	0.61317706	0.004459558	-0.034687012	-0.43685424	0.47304937	0.3205776	-0.25899154	0.37996522	-0.26756638	-0.99644274	-0.9998245	0.3028241	0.24897002	-0.12358429	0.11928451	0.22016726	-0.99487495	-0.8087217	0.016198171	0.28817317	0.3799731	-0.21523237	0.61582106	0.32450414	0.51852745	0.94547987	-0.38370225	0.58878964	-0.38587207	-0.71953094	0.24547279	0.042110547	-0.32333344	0.17593639	-0.99567544	0.31741372	-0.24207686	0.031239482	-0.44152626	0.01961144	-0.035994355	-0.90549713	0.48745883	0.19927797	-0.45596346	-0.9904379	0.28446564	-0.59053737	0.4858621	-0.05157321	0.1479485	0.9972962	-0.21550803	-0.02471157	0.40264636	0.6425864	-0.07984627	0.2457714	0.89653754	0.014540129	0.15537654	-0.028894326	0.85136795	0.33776867
8	0	CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O	-0.8096896	-0.28496897	0.22091377	0.4376431	0.6830917	0.09079162	-0.38382903	0.41729942	-0.5703036	0.43024814	-0.32172933	0.3347272	-0.7105052	0.7124776	-0.41381016	0.26848686	-0.18667512	-0.45401248	0.4555781	-0.7451183	-0.4898704	-0.6290924	0.025948666	0.55541515	0.27339578	0.1614095	-0.85747886	0.006156501	-0.0642217	-0.6756571	0.32973415	-0.42565104	0.6357402	0.51097244	-0.89852524	0.72429794	-0.37283567	0.7078956	0.9930572	0.354226	0.8105653	-0.1172778	0.56125766	-0.6021038	0.4561543	-0.8506222	0.44792226	-0.55498177	0.41641167	0.04085755	0.3014858	-0.53661144	0.016785394	-0.5284856	0.3157284	0.22818875	0.83793384	0.028722271	-0.36210778	0.86284333	-0.671312	-0.3087023	0.46429676	-0.60785764	0.09289747	-0.03869243	0.79766536	0.14134854	-0.19417311	0.099682145	-0.9528629	-0.9995306	0.5002808	0.9192593	0.6433357	-0.19718273	-0.409508	0.43189245	-0.71005946	-0.9914018	-0.9761368	0.44773126	-0.33645865	0.11849042	0.08730777	0.6829585	-0.54783744	-0.07674846	0.043522898	0.6977883	0.80227417	0.5473673	0.52337414	0.2591912	0.99901485	0.47149172	-0.8715641	0.09351731	-0.16410652	0.27982506	-0.39863527	0.010595145	-0.15973401	0.05024069	-0.9426644	0.012615576	0.11534904	0.08070309	-0.99999905	-0.73544437	0.39718118	0.42898944	-0.5108437	-0.12751146	0.39576456	0.8254062	-0.28609106	0.13699248	0.9949412	0.36577865	-0.46364346	0.55484104	-0.45516384	0.31184876	0.41103667	0.47937793	-0.30885696	-0.36857218	-0.7271399	0.94580656	0.687464	-0.020736694	0.22328281	-0.43531543	0.417954	0.8739075	-0.7286224	0.2208446	-0.4979672	-0.65606827	0.9996524	0.7658334	0.6593672	-0.1796031	-0.25368935	-0.55536586	-0.52684045	-0.58734363	-0.42742887	0.5692367	0.1658204	-0.29080537	-0.03131967	-0.08118981	0.13308987	-0.04818693	0.41551456	0.6787214	-0.9024983	0.110372886	-0.89749306	-0.19701393	0.39245436	-0.16426647	0.68772936	0.21011461	0.31782147	0.37079906	-0.47426522	-0.5822176	-0.51188743	0.3334433	0.42791164	-0.18164277	-0.83540106	-0.9171793	-0.49047104	0.32006842	-0.88913876	-0.10655843	-0.00872026	-0.92866415	0.2374223	-0.38636315	0.9179532	-0.0796546	-0.497565	-0.0929824	-0.66795135	0.4372119	0.38455766	0.48128444	-0.27814418	0.46635565	-0.7022269	0.6356398	0.49204654	0.8091043	-0.61292523	-0.17040773	-0.22609664	-0.67642283	-0.357104	-0.025662506	0.75230837	-0.51629204	0.329184	-0.23081447	-0.15994526	-0.9998503	-0.058419064	-0.62627363	-0.04192936	0.8171938	-0.17092454	-0.69972944	-0.022779036	-0.13107905	-0.39338017	-0.8429843	-0.46190056	0.31683528	-0.01652727	-0.45297804	1	-0.8493217	0.2876351	-0.34977016	-0.64010036	0.024447937	0.60185605	0.55165464	0.057380546	-0.748037	0.27581143	-0.015984409	-0.1575683	-0.10708877	-0.5577471	0.19141187	0.7484173	0.19202432	0.037408743	-0.18903702	-0.92789876	-0.15119357	-0.15263504	0.1370583	0.695039	-0.070113264	-0.8914501	-0.9997957	0.7638089	-0.19908099	0.49382085	0.4110325	-0.13926724	0.38094205	-0.31468627	-0.75356656	0.21828166	-0.74858373	0.638337	0.33165872	-0.41047987	0.1317161	-0.016430343	0.4475109	-0.95070106	0.72246444	0.20461997	0.9993332	0.016842343	0.28919402	-0.42409194	-0.65809643	-0.003510364	0.03156155	-0.98028773	-0.68359154	0.036435384	0.9955343	-0.49425384	-0.7377892	0.34847045	0.016757028	0.17632973	-0.9045738	-0.9983213	-0.2883316	-0.18990436	0.98028296	0.6329537	0.69711757	0.23443091	-0.7791237	-0.99893427	-0.21669403	-0.05629274	-0.7213491	-0.40124306	-0.351169	-0.05911107	-0.87605256	-0.51092464	-0.20565736	-0.75874966	-0.411742	0.7546636	-0.4516733	-0.19881094	0.27691904	0.3789486	0.5181365	0.18386658	-0.20995077	0.7821447	-0.425229	0.99999493	0.7937859	-0.5116564	-0.45162082	0.56824034	0.4479647	0.15419273	0.28245372	0.25856468	0.8628374	0.35633996	-0.7705879	-0.22493838	-0.2948493	0.13973156	-0.36811477	-0.012822344	-0.96663356	-0.33099905	0.344493	-0.8500924	-0.53776085	-0.7385046	0.19939023	0.5458533	-0.45937112	0.3850268	0.4984128	0.2327165	0.73831284	-0.48465395	0.0436518	-0.9044724	-0.15240778	-0.06547615	-0.09496709	0.07785592	-0.2671402	0.27354798	0.9999409	-0.90840113	0.9603475	0.3375552	0.16592993	-0.34693757	0.107166566	0.3434214	0.82664615	0.16263512	0.64901316	0.3191884	0.11601257	0.31003347	0.808001	-0.7763298	-0.1771742	-0.64770395	1	0.62086546	-0.028655283	-0.14081948	0.5528856	0.7692691	0.32949778	0.7147315	0.7692297	-0.21757023	0.62813234	0.14492273	-0.731022	-0.24383198	-0.8939872	-0.708548	0.45970955	-0.18511873	0.04053767	-0.82200533	-0.98283726	0.030483266	0.6039938	-0.34905258	0.3676562	0.8516127	-0.2958742	-0.61764264	-0.32627994	-0.10990514	0.5439315	-0.12637776	-0.9486909	-0.24646945	0.42009094	-0.4587577	0.7138056	-0.14349145	0.36449423	0.4245874	-0.26294452	-0.99816203	0.6307987	-0.8821237	-0.3443412	0.9987865	-0.47899526	0.7406414	-0.569034	0.8173445	-0.45791408	-0.8008459	-0.11783812	0.1326196	0.56314427	-0.4779535	0.6978259	0.41114035	-0.093376495	-0.60640913	-0.5100962	0.6962467	0.07831215	-0.999762	-0.9999999	-0.8403259	-0.5892051	0.29011977	0.9264702	-0.7439691	-0.97499317	0.78822625	0.6664657	-0.38066548	0.030289782	0.4897117	-0.19650356	0.22141187	0.13549182	-0.2963676	0.38694412	-0.49944097	-0.23573828	-0.99953526	0.5468853	-0.4724658	0.2264021	-0.22713836	0.20400645	0.20309821	0.5984166	0.21280137	-0.91104114	0.84839386	-0.9319423	-0.11067588	-0.961918	-0.2628357	-0.9196891	-0.37315622	0.940048	-0.029853327	-0.84377325	0.6772015	0.31125757	0.69437766	0.8078251	-0.9664053	0.5000003	-0.11799332	0.6303782	0.7247423	-0.29486743	0.44786462	0.24399011	-0.11340222	-0.19695412	-0.539254	0.9857737	0.35728306	-0.4686798	0.6857476	0.6773973	0.21504436	0.9999795	-0.4779715	-0.34402314	-0.7814357	-0.6887968	0.68703777	0.026339505	-0.9985682	-0.39132622	-0.61312944	-0.21980423	0.28132948	0.16624604
9	0	c1ccc2[nH]nnc2c1	-0.65812856	-0.22738284	0.084698625	0.5994902	-0.27799243	-0.32204953	-0.2686568	-0.30125305	-0.41263703	-0.20494306	-0.40500614	-0.5666512	0.00305334	-0.44889736	0.09110329	0.35630903	0.015552992	0.03236762	-0.3646728	0.033623647	0.6165161	-0.8397452	-0.58885086	0.6400399	0.123468	0.30216256	0.40335593	0.59559834	0.64183784	-0.49746767	-0.2168422	0.7018715	-0.54065454	0.16218428	0.003267429	0.4361163	0.12609866	0.49438334	-0.8064479	-0.9537774	-0.9945981	-0.14818822	-0.17359293	-0.040925745	0.0386134	-0.99674195	0.29881024	0.3211293	0.9696583	-0.25506347	0.09222826	-0.24698585	-0.19509436	0.09084714	-0.8701946	0.4601219	-0.6615944	0.96609336	-0.047178667	-0.26003098	-0.031312495	0.011292368	0.32831404	-0.26194653	-0.1296659	-0.412497	0.5568389	0.02849708	0.3449678	0.475694	0.42642465	-0.99728405	-0.045624297	-0.25719896	0.053509764	0.121138096	0.4669559	0.19519977	0.23841594	-0.9991543	-0.82599455	0.35340142	-0.8434922	0.09278829	0.54743665	0.722666	0.38612434	-0.5233931	-0.07250544	0.39166972	0.4717064	-0.23444986	0.13534418	-0.31847858	0.8935371	-0.002540471	-0.6493712	0.3823557	0.026078545	0.4586703	0.18453528	-0.7057863	0.62523425	-0.72852933	0.9855544	-0.64367115	-0.447906	0.41514567	-0.9499946	0.29175386	0.032914206	-0.11777725	0.27897584	-0.016190063	-0.5833527	-0.4145877	0.6264218	-0.22694062	0.9990022	-0.25762966	0.22982673	-0.16852555	0.032186158	-0.38652998	-0.36928222	0.20306097	-0.18461901	-0.26852405	0.19356018	0.9928331	0.08508538	-0.14284615	-0.12092826	-0.62290657	0.5922133	-0.83446234	0.84606594	-0.13184424	0.21166223	-0.12388521	-0.9990112	-0.16382834	0.9763399	-0.18759288	0.3963351	0.21694751	0.032684017	-0.08413358	0.9978969	0.6216715	-0.19468224	-0.2468513	0.15602152	0.44621092	0.13426341	0.14191556	0.058972407	0.9995312	0.635139	0.009551521	-0.99557334	0.04537584	-0.3316299	0.13145053	0.08641286	0.33479542	-0.05806015	0.050103765	0.060853913	0.33267224	-0.5034326	-0.46292478	0.59973335	-0.39113736	0.063329116	0.15993926	-0.60874873	-0.07732036	-0.54669714	0.26268938	0.45516393	-0.5241045	0.27799323	0.21846265	-0.96901363	0.15183319	0.40546897	-0.2138543	-0.34203875	-0.16390042	0.90172094	-0.047316294	-0.025896082	-0.01958068	-0.22723728	-0.025849009	0.062206026	-0.3265061	0.048374265	-0.79294384	-0.2505052	0.07130838	-0.6387996	0.52156985	0.10321362	0.5246622	-0.09246607	-0.02794683	-0.27790162	0.000428636	-0.18290575	0.1856461	-0.6243247	-0.3078232	0.08310618	-0.6118379	0.24234867	-0.11540918	-0.1609066	0.6912923	-0.15472099	0.13311511	0.7793373	0.1733989	-0.99403703	0.35971493	-0.2592179	0.56329435	0.19831005	-0.15967426	0.0941473	-0.6896831	0.6807862	-0.59296376	-0.40997642	-0.6604409	-0.5130197	-0.3966083	0.021906205	-0.2730952	-0.97587836	-0.87573034	-0.11494651	-0.5734568	0.5774657	0.2246264	-0.2297568	0.36880487	-0.22986846	0.14051065	0.60767096	-0.94119704	-0.38659877	-0.21236022	0.20435779	0.1684213	0.40585938	-0.07641636	-0.12969089	0.44298938	-0.33498117	0.44876343	0.5164298	-0.24961954	0.11712381	-0.21992393	-0.02105789	-0.18360144	-0.5347186	0.41859642	-0.24489012	-0.8662568	-0.15550603	-0.30171955	0.32896078	0.8644461	0.35548082	0.03444631	-0.006261306	0.37404615	-0.063203715	0.9994791	-0.08064649	0.7421849	-0.714848	0.6304884	-0.6518077	-0.7751791	0.8624604	0.35386723	0.44888133	0.99960667	0.5191269	0.70494306	-0.50543433	0.48154345	0.99968046	-0.6184445	-0.13677375	-0.10667698	-0.53376794	0.3917243	-0.19265556	-0.12289452	0.94633657	-0.12969522	0.99943066	-0.24254939	-0.7834535	0.35225576	-0.09795519	-0.17184521	0.078680664	0.39204141	0.6607176	0.5544857	-0.19366379	0.47023392	-0.9562434	0.25801462	-0.00342355	0.2829106	0.341218	-0.10746917	-0.6127173	-0.18449886	0.13420348	-0.77591544	-0.34625822	-0.061790027	0.08303967	0.11903826	-0.44193298	-0.29726222	0.4591306	-0.48491558	-0.32036582	0.41377604	-0.0405479	-0.5881295	0.28086582	-0.4123538	-0.2588662	0.7315449	0.47189328	0.5005179	-0.60070646	-0.59673417	-0.09732612	0.96091294	-0.99531776	-0.21611336	-0.6280189	0.19364789	0.55535847	-0.29201326	0.6575037	0.95976996	-0.4903778	-0.6185654	0.62799513	-0.102774106	0.34468874	-0.29995072	0.058452554	-0.13388819	0.5183173	-0.35394603	-0.23007397	0.4504604	0.11963017	-0.17496794	0.145541	0.9010945	-0.31998202	0.9950807	-0.12126174	-0.57759017	0.098597646	-0.10276183	-0.94422185	-0.4390171	-0.25342566	-0.30764014	-0.034144133	-0.02797911	-0.4889885	-0.22693887	0.20153312	0.79948014	-0.0871109	0.14319862	0.07219632	0.73900086	-0.101057746	0.36828172	0.70520324	0.76491207	0.9129113	0.6706629	-0.75623304	-0.05130614	-0.18013366	-0.15096913	0.06904898	-0.5437772	-0.01318786	0.9215017	0.014969349	0.59949636	0.73876154	0.14655316	-0.38600376	0.104291335	0.11604609	-0.34290743	0.9999284	-0.1915922	-0.9960157	-0.46125707	0.9971573	-0.5745327	-0.23936245	-0.99801475	-0.16383213	0.7039658	0.7834389	0.2720804	-0.7903122	-0.14255029	0.062308583	0.8514851	-0.3612981	-0.69921905	-0.62975293	0.4018308	-0.4569325	-0.5358614	-0.9999338	0.9924205	-0.995732	-0.09565154	-0.5118371	-0.6190191	0.7143404	0.08951256	-0.73168594	0.10648587	0.33839953	-0.44848508	-0.45217255	-0.5925421	0.20129772	-0.03342305	0.24826583	-0.23884057	-0.49373457	-0.9963759	-0.99989355	-0.61879295	-0.06255737	0.5478002	0.14061704	0.079810075	-0.9105845	-0.47039786	0.2376821	0.23829223	-0.17025287	0.26052228	-0.4786688	0.9625024	0.06038715	0.757531	-0.3847341	0.13049254	-0.21527572	-0.4657135	-0.38847697	0.3030649	-0.7743213	0.63556135	-0.21665385	-0.86107206	0.028738517	-0.49780786	-0.6970232	0.31245708	-0.000981298	0.56950617	-0.010715528	0.14939275	0.043387074	-0.97959924	-0.22871995	-0.13471736	-0.05931097	0.13496916	0.14810397	0.9990285	-0.05986262	-0.3516168	-0.06701153	-0.2955485	0.025897438	0.029496612	0.9016401	-0.40791732	-0.50839823	-0.71297604	-0.17101598	-0.03659848
10	1	O=c1[nH]sc2ccccc12	-0.4461765	-0.16874063	-0.10393597	0.10010496	-0.21843354	-0.405577	0.12635112	0.020646216	0.37906292	0.56301165	0.11207783	0.31321555	0.028226735	-0.44761434	-0.30382383	0.5826136	-0.17093176	0.29668623	0.00271515	0.07266568	0.5026895	-0.903564	-0.15059882	0.06473405	0.36954588	0.57793856	0.26092535	0.5296502	0.2463056	-0.18119285	0.11314836	0.58377784	-0.71806926	-0.38744015	0.21969363	-0.19647728	0.45064214	0.046285238	-0.44809783	-0.90029097	-0.9986851	0.23307575	0.015149518	0.35591257	-0.19697107	-0.99782753	0.36300936	-0.46903744	0.98050976	0.3593769	-0.5604664	0.42110464	-0.18973137	-0.20133235	-0.9288272	0.50054526	-0.7229817	0.9575365	-0.24468441	0.2527539	0.20482932	0.17664215	0.78782445	0.124242276	-0.39635536	-0.29993692	0.6809337	0.61912465	0.13308921	0.20091712	0.21987028	-0.99716765	0.045830775	-0.4481025	0.12793556	0.214771	0.06431933	0.06587072	0.66557425	-0.99945086	-0.78598523	-0.29548934	-0.8620241	-0.5399013	0.4230135	0.66038686	0.27027294	-0.40766576	-0.06601722	0.4366122	-0.014518226	-0.19607401	-0.53116596	-0.51167786	0.7707113	0.2845331	-0.4800352	0.5309169	-0.23835701	0.35536554	0.3646643	-0.3828175	0.4480382	-0.7122375	0.97849166	-0.7459808	0.043963816	0.40823656	-0.98773414	-0.26046112	-0.15170944	0.35521775	-0.22829951	0.09432089	-0.81856304	0.22498403	0.485239	-0.23221555	0.99953955	-0.008879066	0.040227465	-0.008285377	-0.13749456	-0.11621484	0.004641037	0.3704434	-0.27374402	-0.08469033	-0.19514126	0.9971097	-0.012226672	0.51042247	0.58467	0.025577832	0.6527617	-0.8800082	0.6480493	0.3786342	-0.32939595	0.025861302	-0.99990696	0.24690233	0.98771226	-0.079172194	0.51469564	0.5544528	-0.14070708	-0.21811861	0.9985499	0.09757735	-0.2675698	-0.13403428	-0.15336762	0.22999437	0.13451357	-0.729324	-0.17286679	0.99958605	0.5272137	-0.113005	-0.99634796	-0.09640782	-0.13008134	-0.10127607	0.15981622	0.4054504	0.109610826	-0.06874157	0.008083329	0.33443657	-0.78828853	-0.65321666	0.34586075	-0.27885595	-0.21803579	-0.38205007	-0.538131	0.08836946	0.058082126	-0.09756747	0.5965285	-0.6686666	0.40115532	-0.2826662	-0.9526144	0.024124825	0.33056474	-0.17302032	-0.29430798	0.096553124	0.8200839	0.3645775	0.2537673	0.16390575	-0.16995688	-0.56728804	0.33470097	-0.70963514	0.44684497	-0.18146355	0.08243922	0.29484233	-0.53761846	0.47135597	0.50566256	-0.046239775	0.21427101	0.29237866	-0.6487867	-0.7477975	-0.19201177	0.06449321	0.07976143	-0.25978333	-0.043498863	0.20420316	-0.1272169	-0.4579296	-0.345637	0.2894964	-0.40024725	0.09196887	0.3248444	0.14577317	-0.88097763	-0.41739458	-0.15432738	0.3324202	0.25032488	-0.17896007	-0.51901895	-0.7029705	0.028012477	-0.71559536	-0.52178204	-0.597231	-0.2564131	-0.088084884	-0.5179234	0.08358709	-0.9449932	-0.75113666	-0.07422544	-0.19174066	0.6874522	-0.026240982	0.2708766	-0.20798773	-0.31595263	-0.103295036	0.37926283	-0.9524471	-0.40329474	-0.08893197	0.3970469	-0.3832164	0.18257695	0.31826225	-0.5556043	-0.143297	-0.7945325	0.36463386	0.19287956	-0.017251777	0.039959796	0.12056239	-0.37609228	0.46116683	-0.3427511	-0.09568939	0.45644873	-0.56371576	0.3197632	0.24351056	0.21251026	0.8967255	0.1028924	0.58386713	0.1078082	0.39981237	-0.45912847	0.9997274	-0.514902	0.58548594	-0.25335357	-0.07610495	-0.39777693	-0.7751231	0.34900272	-0.13054115	0.3681702	0.99976623	0.61350125	0.7480949	-0.43841416	0.6344231	0.999976	-0.7909371	-0.039592337	-0.06945684	-0.2396861	0.37504348	-0.13154362	0.15795597	0.86771184	0.23736176	0.9992315	0.425669	-0.6897918	0.1379464	-0.04851322	-0.34754014	0.08623866	-0.15893443	0.57824755	0.09618852	-0.14212611	-0.005080694	-0.9681906	0.05458869	0.6261543	0.44648823	0.15938333	-0.2286055	-0.12506622	-0.06525571	-0.31684119	-0.93101394	-0.33200166	0.024594981	0.20621014	-0.15440708	-0.15388079	0.05448299	0.44366217	-0.47424862	-0.63016903	-0.27909797	-0.5874435	-0.82158816	0.29767412	-0.18588136	-0.33739722	0.8477721	0.10384156	0.5158189	-0.08732331	-0.20415667	0.50454307	0.9329039	-0.9973062	0.06422249	0.18123832	0.47876942	0.26775756	-0.29161504	-0.26261503	0.9894109	-0.44285157	-0.3610459	0.61087984	0.22144872	0.6602593	-0.08299344	-0.6083439	0.026698513	0.11686975	-0.33100912	0.1136294	0.35883847	-0.34442556	-0.062816896	0.6231693	0.8950678	0.12429782	0.99871993	-0.29156646	-0.24622327	0.3855862	0.13280764	-0.9555516	-0.8633112	-0.068516016	-0.36074078	-0.1679462	-0.16183476	-0.615797	-0.07854142	0.41056892	0.84416616	-0.22728312	-0.40519303	-0.71946585	-0.21423976	-0.50331223	0.26819333	0.58369803	0.5995825	0.9010341	0.2697189	-0.8309513	0.3606138	0.13654646	0.31510666	-0.64336795	-0.029760653	-0.14671205	0.26810092	-0.21432918	0.23687612	0.5330271	0.14193435	-0.14221571	-0.056888737	0.37087348	-0.045422245	0.9999513	-0.11000492	-0.99569374	-0.294465	0.99917287	-0.31769618	-0.35456708	-0.9974207	-0.26388082	0.82752764	0.74338245	-0.002753981	-0.7480029	-0.15408772	-0.014838716	0.67317224	-0.014574657	-0.31398168	-0.45410812	-0.26802185	-0.535847	-0.46082228	-0.9999842	0.9917502	-0.99750453	0.011998204	-0.64927447	-0.37749198	-0.543726	-0.40880424	-0.8484371	0.5187184	-0.32405874	-0.84570426	-0.3537311	-0.5897622	-0.27335712	0.34570846	-0.003284219	-0.41576922	0.48822072	-0.9956892	-0.9999565	-0.78704226	0.2476488	-0.239088	0.31236735	0.36845046	-0.9488306	-0.48041716	0.42391253	0.4391339	-0.62757504	0.19846584	-0.0723533	0.9761733	0.11526296	0.9471328	0.5510409	-0.07435605	-0.10079611	-0.55232877	-0.2917489	0.21499138	-0.6034068	0.41577092	-0.12494567	-0.41645393	-0.64294344	-0.32049742	0.049787782	-0.3698013	0.24471973	0.72569287	0.32071987	0.36434168	-0.010203527	-0.96403515	-0.029093532	0.21885681	-0.3422453	0.072075896	0.5268305	0.9990208	0.08264305	-0.42796278	-0.019480132	0.22359745	-0.036898717	0.4655045	0.8368935	-0.056001514	0.5955686	-0.3926444	0.22604348	0.17159079
11	0	Cc1ccc([N+](=O)[O-])cc1C	-0.5851347	-0.5720948	0.13563603	-0.30349702	-0.14064917	-0.22564185	-0.6111913	-0.07351197	0.19539815	0.46921188	-0.49437705	0.12461371	0.1764469	0.11048242	-0.26879603	-0.2863111	-0.42400357	-0.17019846	-0.08204639	0.6168725	0.7286349	-0.7289713	0.19713442	0.25098628	-0.0472023	0.15798558	0.4345136	0.07309291	-0.0727374	-0.4467033	-0.5068497	0.47601095	-0.19501702	0.03335219	0.37519237	-0.12889837	0.13990876	0.75752354	-0.08583202	-0.8330875	-0.99837816	-0.5052789	-0.4300143	-0.25015715	0.14008264	-0.99745554	0.26152104	0.16283955	0.98477644	-0.40125018	0.19876234	-0.03307602	-0.42909798	0.17180979	-0.93502116	-0.06578262	-0.63282925	0.9483914	0.3193749	0.44149095	-0.60388505	0.38580844	0.33754086	-0.28489098	0.37002808	0.6987974	0.7091008	0.56977046	-0.34372482	0.3945804	0.90992135	-0.9894289	0.10734511	0.21564896	0.22802734	0.29294804	-0.2961685	-0.061493587	0.08190255	-0.9988076	0.072716005	0.042959295	-0.85676277	-0.66782844	-0.0233177	0.41195324	0.10358487	-0.12053392	-0.63848805	-0.20530735	-0.34630045	-0.32005936	-0.32191712	-0.12320876	0.82589185	0.11693971	0.29342347	-0.33349773	0.6074229	-0.20804878	0.08754424	-0.47058713	0.24283648	-0.64228207	0.9463617	-0.5483654	-0.30473936	-0.08846346	0.9947349	0.27350023	0.14343934	-0.27662358	-0.12208449	-0.15848747	0.19312893	-0.066218674	0.51559955	-0.09127111	0.9994521	-0.53939366	0.16058512	-0.5513014	-0.11789366	-0.63814294	-0.08773232	-0.28996605	0.17158504	-0.47054267	0.105993606	0.9987324	-0.033617515	0.4312379	-0.08273145	-0.20013687	-0.05259605	-0.89465624	0.4531752	-0.08633956	-0.51533645	-0.18065806	-0.9943666	0.09655709	0.96610117	0.19476905	-0.046650488	0.40674222	0.30163464	-0.30334392	0.9966293	0.2627534	-0.22280894	-0.48094785	-0.43767372	0.30136877	-0.23772402	-0.21274276	-0.5822444	0.99918926	-0.51663244	-0.949779	-0.99529105	-0.20934643	0.049528707	-0.13995138	-0.12739365	0.2371455	0.5798271	0.40494567	-0.16249682	0.3710824	-0.57817465	-0.18620512	0.26847088	-0.6164511	0.33952218	-0.97708917	-0.8449554	-0.4672608	-0.032040294	0.04052479	0.63704354	-0.95687443	-0.2717697	-0.25037634	-0.91616297	-0.20449468	-0.007141841	0.0714904	-0.16761108	-0.37205777	0.65964484	0.43901047	0.3589939	0.23080795	-0.22805552	-0.2452415	0.22278851	0.53770995	-0.05992166	0.19089226	-0.10412796	-0.027518932	-0.4672223	0.24799271	-0.5997565	-0.08915902	0.4741586	-0.12225196	-0.3872224	-0.72450125	0.117151976	-0.2532961	-0.08461289	-0.49042937	0.09159989	0.42774287	0.5074769	0.09055126	-0.10039289	0.057268746	0.06827015	-0.3897812	-0.09533507	0.26198897	-0.9108183	0.12343319	-0.015888613	0.55480266	0.2939355	-0.5775489	0.005791976	-0.14944363	0.50449675	-0.5170492	-0.66357666	-0.3789233	-0.3444733	0.044883143	0.6249902	0.13838801	0.51070344	-0.08198155	0.53941196	-0.67708284	0.45908776	-0.45856985	-0.17300707	0.3878911	-0.2735396	-0.13757235	-0.056235466	-0.9981417	0.006584541	0.18788913	0.3568687	-0.050933316	0.015838921	0.06444474	0.2592083	0.06847559	-0.82665026	0.287603	0.12504388	-0.27506706	0.35176238	0.39786646	-0.11416427	0.333657	0.1869084	0.42923987	-0.07777111	-0.84338427	0.36686432	0.15854354	-0.025080666	0.05895007	-0.38901028	-0.47771445	-0.26242903	0.37244773	0.12021	0.9995203	-0.4774821	0.59691536	0.004159205	0.27259165	-0.3689928	0.3908315	0.9463506	0.08695496	-0.06856773	0.9995748	0.3850039	0.8312272	0.2450899	-0.13736136	0.99814916	-0.786382	0.13789672	0.079481624	-0.105907395	0.48105457	-0.38118762	-0.12514172	0.14768657	-0.45710286	0.99797654	0.41453373	-0.4047276	0.23169452	-0.036916364	-0.28288877	0.44822648	-0.35697982	-0.29654434	0.013528732	0.64025897	0.48973164	-0.9999836	0.08691536	-0.30707526	0.45778853	-0.049772535	-0.7892969	-0.263757	-0.008032065	0.4163498	-0.9414784	-0.57935476	-0.011240775	0.34809062	-0.06054328	0.011221522	0.015966704	0.030749287	-0.3979724	-0.22799493	0.37897208	-0.3667616	0.30787492	0.3672702	-0.22668879	-0.40172905	0.47585475	0.32089782	0.6429664	0.32426208	-0.5298549	-0.026139205	0.94502425	-0.99637467	0.2956013	-0.5270108	-0.4012336	0.10916545	0.00308337	0.22068463	0.9918487	-0.36478814	-0.40342483	0.19817533	0.5015263	0.26481456	-0.37571886	-0.62089646	0.53085154	0.34234032	-0.5554479	-0.15559986	0.08068373	-0.021324005	0.39670315	0.2588466	0.95321107	0.03254171	1	-0.25803223	-0.32395124	0.011409925	-0.39295283	-0.9218062	0.063885875	-0.17367713	-0.86351955	-0.1352199	-0.1911874	0.1301058	-0.6227036	-0.1388839	0.77924097	0.29846504	-0.27599058	0.3691875	0.27253282	-0.5052736	-0.55421335	0.40289918	0.3636726	0.8557381	0.34402686	-0.71223223	0.21640438	0.03164199	-0.31899634	0.5642378	-0.37721577	-0.33748844	0.98289615	-0.08480316	-0.15087451	0.80678034	0.32202667	-0.1379838	0.26070663	0.32475027	0.009042743	0.99999994	0.17103595	-0.9900398	0.05233219	0.9978784	0.21812691	-0.14931	-0.99993956	-0.6130214	0.53473765	0.72023994	0.19007134	-0.67723083	-0.088182636	-0.49976334	0.55597544	0.1734447	-0.69053715	0.008207127	0.3323339	-0.03311984	-0.26335308	-0.9998688	-0.99982643	-0.9955324	0.37746322	-0.006524568	-0.19634949	-0.14982297	-0.40927684	-0.8343434	-0.22000168	0.014098186	-0.000741187	-0.8603864	-0.046896473	0.31370315	-0.4771682	0.3445294	0.07305691	0.16863406	-0.9926171	-0.9999267	-0.23075712	0.17248233	-0.28027266	-0.25351256	-0.102394074	-0.913282	0.2701724	-0.2492817	-0.45535648	0.18038824	-0.060088128	-0.46558475	0.96245694	0.2289552	0.89087254	-0.36020777	0.49421683	0.14164616	-0.2771367	-0.16421437	0.06958326	-0.30527106	0.44425178	0.17936234	-0.58453155	-0.3843635	0.5305519	-0.4519862	-0.63717157	-0.055116307	0.5554558	-0.44712085	0.2284009	0.6571343	-0.92432654	0.20811863	-0.33124477	-0.26761582	0.54043204	-0.33189136	0.9977834	0.48758635	-0.38206977	-0.31983173	0.36773807	0.15091826	-0.4155573	0.73735934	-0.32291427	-0.6145319	-0.023957254	0.8326193	0.061493464
12	1	O=[N+]([O-])c1ccccc1[N+](=O)[O-]	-0.11395757	-0.17277507	-0.3848051	0.16542986	-0.41722965	-0.50663453	-0.56927365	0.12296794	0.6009861	0.30883893	0.42846388	0.41066942	-0.03954246	0.29521963	-0.47283912	0.2800449	0.016464774	0.6530594	-0.17644662	0.6766805	0.84661263	-0.704272	0.17617172	0.27401084	-0.028122718	0.23464027	0.64312005	0.19438863	-0.39851338	-0.6840289	0.24691267	0.26960042	-0.4887051	0.090317436	0.6084449	-0.20825224	0.4697097	0.7239442	0.51710606	-0.5521128	-0.9979632	-0.15161914	0.13032728	-0.19526316	-0.43303683	-0.9973885	0.5168408	0.015686978	0.99361265	0.021331877	-0.14649653	0.070476584	-0.47111186	-0.022052957	-0.8861979	0.2606082	-0.75086373	0.90063256	-0.15572377	0.75706387	-0.17680535	0.30286843	-0.4514285	-0.3856271	-0.061411414	0.62552845	0.71876764	0.1985798	-0.22161472	0.15084554	0.8517967	-0.99820626	0.46924627	0.26949632	-0.7818178	0.4392195	-0.42954317	-0.12431403	0.27936816	-0.9992072	0.6850871	-0.6214494	-0.8510764	-0.8367888	0.15546739	0.7894042	-0.025269117	0.0959749	-0.93477976	0.23273723	-0.2535325	0.2840239	-0.39269766	0.02841652	0.99688554	-0.3421626	-0.4168599	-0.53125185	0.52432287	-0.23528183	0.7944625	-0.6767762	-0.013092994	-0.6201278	0.8243269	-0.835746	0.0375013	0.30674756	0.99847835	0.10864242	-0.17461583	-0.14337377	-0.4952804	0.23356003	0.21619447	-0.114566945	0.56268984	-0.006472478	0.99980545	-0.5317884	0.32326654	-0.15025136	-0.5255415	-0.18896534	-0.442377	-0.46362245	-0.3541652	-0.06029128	0.34579024	0.9811261	0.18579724	0.47871917	-0.17168538	0.0058896	-0.18596278	-0.9268819	0.49399197	-0.17011507	-0.65886	-0.41473803	-0.97539365	-0.40819898	0.6354472	0.06558104	0.36833954	0.1323335	0.23321696	-0.069202155	0.9921003	-0.005417267	-0.3134513	-0.43976787	-0.70887256	-0.004050978	-0.33378556	-0.521038	-0.037785336	0.99880475	-0.23936386	-0.9605327	-0.9952992	0.002535673	-0.17241195	-0.3282857	-0.16408208	0.65752107	-0.5768719	0.5973707	-0.6397135	0.45507675	-0.64794856	-0.37184206	-0.19236277	-0.11482865	0.57138896	-0.9453631	-0.85031146	0.018877693	-0.20909587	0.11393923	0.5400834	-0.9994428	-0.3225151	-0.3838293	-0.78155607	-0.12701356	0.06968175	0.20443834	-0.6185044	-0.24414481	0.616194	0.6249217	0.32512674	-0.11793727	-0.2565186	0.052657075	0.69093966	0.95541275	-0.09709661	0.5673755	-0.10758077	0.49708256	-0.16386469	0.2515321	-0.2553909	-0.46351746	0.75936973	0.46773532	-0.041869614	-0.93529236	0.48191538	0.1471014	-0.2364431	0.28921133	-0.041314732	0.6543214	0.7287778	-0.11043498	0.23898026	-0.4463844	-0.000767307	-0.18583234	0.23109949	0.5418542	-0.96267	0.08378014	-0.09087632	0.2654018	0.41534144	-0.23650815	-0.47117096	0.67468137	-0.123723164	-0.6190189	-0.71041715	0.060947075	-0.49135187	-0.2817358	-0.10557378	-0.08392064	0.33427858	-0.24335732	0.59139085	0.17103222	0.33566377	0.18622155	-0.33471677	0.42532337	-0.20567681	-0.24013613	0.23681626	-0.99842983	-0.045280635	0.3622449	0.114127934	0.068074994	-0.2916949	0.266347	0.19423606	-0.2573784	-0.7832643	0.46457037	-0.11106761	0.15256259	-0.10224808	0.68852836	0.31727123	0.79208845	0.7613759	0.24777386	0.10406514	-0.870106	0.6998282	0.38186964	0.17715825	0.9433829	-0.13443045	-0.4618918	-0.53503484	0.10276239	0.37461564	0.9997214	-0.33264777	0.56456107	-0.18434967	0.32568312	-0.49759555	-0.14502981	0.95968455	-0.023739638	0.32900578	0.9996854	0.6739112	0.80711603	0.019095674	0.33171007	0.997833	-0.1773003	-0.39344752	0.02691086	0.3265414	0.79331505	-0.71719927	0.57327235	-0.2255746	-0.06288223	0.9951056	-0.06412769	-0.57975	0.45335177	-0.38530234	-0.33547753	0.41623712	0.07102638	-0.96215427	0.30782825	0.44862136	0.21283028	-0.99999666	0.44327602	0.2438725	0.34296712	0.29798666	-0.7414768	-0.31610623	-0.2720297	0.3822182	-0.84918886	-0.59047407	-0.22363913	0.28457835	-0.08439112	-0.26309204	-0.7630596	0.12854418	-0.91118604	-0.28927886	0.07449624	-0.60344964	0.4653038	0.82019395	0.32485893	-0.6471262	0.7069208	0.62354594	0.054647326	0.6203923	-0.5522558	-0.5081789	0.90765595	-0.9954335	0.42900944	-0.6113746	0.033616006	-0.2290105	-0.04038304	-0.34520632	0.9965687	-0.07440304	0.5039959	0.42813674	0.19913791	0.20114379	-0.3633767	-0.08501771	0.2101225	-0.48869488	-0.58753484	-0.2052002	0.42002478	-0.35586062	-0.1210033	0.45481914	0.92198646	0.1520595	1	-0.31597137	-0.49444172	-0.44280803	-0.19523409	-0.893639	-0.3484852	0.007631421	-0.778696	0.5910927	-0.42951715	0.25270322	-0.716049	-0.26999944	0.7909202	-0.29127806	-0.71858025	0.20991859	0.5547019	-0.59406716	-0.7224078	0.7211635	0.78663874	0.83065104	0.66451406	0.6603513	0.23145233	0.14148033	-0.11413489	0.039906245	0.154855	-0.114589706	0.9995564	-0.059307862	0.29861802	0.86187565	0.2914072	-0.085981995	0.7337422	0.5722011	-0.37757272	1	0.35917625	-0.97016096	-0.23073468	0.99851495	-0.6610001	-0.07172277	-0.9999577	-0.74646616	0.6034481	0.79209524	0.22508459	-0.8606909	-0.3508276	-0.31532568	0.84955287	-0.030676587	-0.5482746	-0.27291015	-0.40047047	-0.3269777	-0.507575	-0.99997133	-0.999812	-0.99638337	0.79444414	-0.48314893	0.43553567	-0.18028069	-0.04229721	-0.83984417	-0.000102518	-0.085266374	-0.11481874	-0.81649315	0.29486856	0.2231282	-0.33172792	0.22812724	-0.10329038	-0.076365724	-0.98949	-0.99998087	-0.34317628	0.45952582	-0.59045994	-0.54742986	-0.001293316	0.23007919	0.68778753	-0.00593926	-0.58361137	-0.17804544	0.05333921	-0.203408	0.91567415	0.5101331	0.81380516	0.020381732	-0.113128625	0.33116266	0.56033677	-0.4154417	-0.101552196	-0.03631335	0.8637671	-0.40314758	-0.39569926	-0.35849845	0.52900004	-0.60470027	-0.6325103	-0.464482	0.6174717	-0.06406768	-0.18150795	0.38943025	-0.76045835	0.29519913	0.32775077	-0.8755077	0.50625783	-0.7307896	0.9959874	0.48492253	-0.3080859	-0.29046428	0.16166067	-0.6084075	-0.347898	0.35192266	-0.05850529	-0.78450197	-0.6606831	0.7529836	0.14563918
13	0	CC(O)CO	-0.64839876	-0.20957325	-0.5678698	0.7748738	-0.1011627	0.31649557	-0.38871765	-0.22178207	-0.5782317	-0.42392063	-0.30315492	-0.62607205	-0.426868	-0.16803235	0.63242006	0.44186932	-0.31032017	0.12736091	0.58888644	0.010658964	0.2612396	-0.88183445	0.1283415	0.20672181	-0.041858867	0.20575143	-0.18260142	-0.39244515	0.32405862	0.03911875	-0.07238118	0.6339851	0.49231267	-0.07138095	-0.001602723	-0.2673622	-0.23731574	0.7792796	-0.9589589	-0.6634623	-0.90188515	-0.47209856	0.35372293	-0.22581525	-0.39817396	-0.96929103	0.5053928	-0.19124374	0.86489415	-0.064184815	0.4126054	-0.14023298	-0.4022729	0.19396162	-0.7981859	-0.045501083	0.43514672	0.92089945	-0.16995192	0.15964471	-0.5055777	-0.42951497	0.45589402	0.007471919	-0.19949962	0.06170447	0.5448662	-0.059459697	-0.49650022	-0.19691686	0.22360314	-0.9993769	0.011798638	0.85255116	-0.21442713	0.77798975	-0.4234154	0.22963953	0.23073228	-0.9947975	-0.9053721	0.1741073	-0.3888843	-0.6462827	0.23344383	0.9718271	0.6339728	-0.025179476	0.043869574	-0.17173915	0.3713897	0.043467257	-0.09586648	-0.11816953	0.5304851	-0.06613836	-0.8594247	0.039065976	0.07867244	-0.684235	0.10831085	-0.06554615	0.13550115	-0.9238942	0.98377866	0.36187807	0.48634836	0.19387245	-0.9989114	0.21102846	0.03296392	-0.04292434	0.3476256	0.040644165	0.2688229	0.33667207	0.024878044	0.049553785	0.9870875	0.20622616	0.06033901	0.1875233	-0.059357245	0.2531976	0.46556142	-0.07002798	-0.5680302	-0.22741963	0.048108183	0.89160407	0.3341564	-0.23474634	-0.23468429	0.63174975	0.15939474	0.9572089	-0.31010303	-0.26427162	0.25578642	0.38503304	0.9956015	0.0734486	0.9212868	0.2979866	-0.4925574	0.24096794	0.35516638	-0.2259851	0.9871624	0.41687098	0.09028755	-0.47544664	-0.04804452	-0.001937146	-0.04854391	-0.7259027	0.0168949	0.9906216	0.2703124	-0.1897008	-0.95875734	0.36424765	0.11440995	0.5033614	-0.089378685	-0.1326096	0.6050068	0.76969916	-0.5095285	-0.25974226	-0.7121568	-0.11857379	0.013540728	-0.17913358	-0.28481272	-0.9554031	-0.36224732	-0.23378246	-0.15178816	-0.11358547	0.17527731	-0.59043264	-0.099503376	-0.04036372	-0.64873934	-0.11655769	0.015348226	0.5846701	-0.38070866	0.57742417	0.54176635	0.4082215	-0.30161712	0.1318608	0.1332725	-0.31992993	0.013523237	0.106703945	-0.2317215	-0.5690483	-0.6842163	-0.30532405	-0.5319723	-0.28970253	0.63868284	-0.24333178	0.36814973	0.7121408	-0.36312723	0.95204914	-0.47228593	-0.26999953	-0.27557328	-0.35085568	0.2272415	0.38896933	-0.30113366	0.34672204	0.29269508	-0.05599582	-0.19560225	0.22255732	0.72280174	0.000850619	0.99999785	-0.5767699	-0.300143	-0.2974293	-0.3241073	-0.4167139	-0.46049488	-0.55070055	0.16753468	-0.19976014	0.38654742	-0.49068582	-0.34079432	0.5822677	-0.046924032	0.19651173	0.7737799	0.09563892	-0.6653108	-0.33269432	0.21685588	-0.2216572	0.3045292	0.39500272	-0.21404062	0.16555549	0.019730821	-0.9958758	0.08088424	-0.04547241	-0.33979243	0.3531996	-0.48207244	-0.066572204	0.28081253	0.07233025	-0.5763068	0.17342936	0.38088703	-0.20472164	-0.38311464	-0.15345001	0.03643083	0.5317094	-0.85767007	0.3305174	-0.15067604	-0.92411435	0.50669914	0.31587914	0.040383443	0.5904932	-0.07991724	-0.037175342	-0.24330986	0.6446854	-0.22677067	0.9920559	0.18012242	0.6548561	-0.47948498	0.5751818	-0.6305735	-0.9637138	-0.9390809	-0.18143465	0.40260142	0.9901098	-0.004469517	0.77768385	0.37416014	-0.12741047	-0.9866048	0.66648173	0.25909016	-0.5668892	0.024804004	0.054165743	0.38028005	-0.2861938	-0.36224228	0.5281709	0.99790454	0.060629487	-0.24730784	-0.1854446	-0.42447487	-0.035261717	0.41392425	-0.13343585	0.5792415	0.19747458	0.33382797	-0.27660325	0.96831715	0.14461416	-0.58555055	0.11339065	0.3660903	-0.45349085	-0.6289103	-0.16676922	0.12719671	-0.26011622	0.09211482	-0.4219829	0.08709417	-0.07906641	0.09584896	0.6053099	0.4305826	-0.8393015	-0.219902	-0.26315385	-0.7988529	-0.4586942	0.4650417	-0.17573723	0.5234455	0.44179153	0.23741873	0.26099494	-0.005507508	0.43768442	0.6677786	0.9487197	-0.9254475	0.20822428	-0.18695481	0.10317626	-0.08600314	0.033807985	0.31893197	-0.81317204	-0.15191971	0.13406727	-0.16791807	0.14842065	0.105489485	0.07643921	0.10724807	0.46648645	0.07281721	-0.5792859	0.2685729	-0.465941	0.3827149	0.3196065	-0.23588094	0.900981	0.13546723	1	0.1896405	-0.21564937	0.065876395	-0.6225772	-0.8481949	0.193302	0.285026	0.085937485	0.42692643	-0.17845121	0.031077769	-0.39674574	-0.17113622	-0.13701525	-0.5485022	0.046176344	-0.40631533	-0.22050965	-0.59739906	-0.22630568	0.1628596	0.8825757	0.61626863	0.6923323	-0.7164541	0.33754236	-0.7262304	-0.6345783	-0.028707795	0.2500762	-0.34040228	0.20937456	-0.67428315	-0.4371521	0.13455229	0.6962962	-0.39636332	0.29501513	0.534242	-0.5076885	0.4819667	0.15945764	-0.72960734	0.04000967	0.11364291	0.11075848	0.21059945	-0.8082405	0.04702215	0.66982114	0.04749481	0.3411302	-0.71214885	0.4939298	-0.12590005	0.91680896	-0.45396948	-0.01751989	-0.2575387	0.062725574	0.12268857	-0.26948488	-0.99858063	-0.9999902	-0.9792973	-0.3800207	0.5021992	0.4864204	0.20460531	-0.50457174	-0.27646413	0.53400815	0.37581077	0.22851555	-0.084868886	-0.28091118	0.37478817	-0.08713939	-0.31914234	0.07579151	-0.49704942	-0.98030704	-0.9991057	-0.49144176	-0.6642632	0.038657896	0.13294736	-0.08212093	-0.58689874	-0.4892999	-0.4849386	0.117743365	-0.289787	-0.5161739	0.30721563	-0.9132516	0.6026914	0.9425282	-0.06347655	0.76931196	0.08463495	-0.71688354	0.07957936	0.46021974	-0.27458507	0.9009328	-0.5894565	0.060491677	-0.56851643	0.49258065	0.20111287	-0.17435713	0.42487866	0.20962884	-0.4047011	0.105056025	-0.48501775	-0.98861665	0.5078432	-0.11838689	0.6046419	0.4077583	0.5480133	0.9943047	-0.7095279	-0.29407984	-0.2751026	0.16475475	0.11068718	0.22727552	0.946494	-0.242315	-0.3898217	-0.7231277	0.82734114	-0.06719901
14	1	Nc1cccc(N)c1	-0.7217452	0.072336875	0.31127325	0.05065448	-0.29873323	0.18470187	-0.60769117	-0.25302517	0.19824268	0.014996602	-0.70910114	-0.5595849	0.18274839	-0.69651204	0.062259294	0.6821481	-0.13599718	0.51638854	0.113292746	-0.14672108	0.6105306	-0.9159917	0.3770377	0.31420127	0.10217351	0.41762275	0.15891248	0.5979679	-0.045802686	-0.21434309	0.3096067	0.3408717	0.17061272	0.0723914	-0.3974411	-0.47943595	-0.27756864	0.6156364	-0.9094164	-0.9398818	-0.92369753	-0.5516346	-0.35885867	-0.548062	0.19708677	-0.9967716	0.37658456	0.05010604	0.8526637	-0.4201962	-0.14851761	0.09543728	0.34714568	-0.23712364	-0.95923245	-0.15544088	-0.39648595	0.9777278	0.35181677	0.22701909	-0.34214285	-0.63831943	0.27820075	-0.4942666	0.72056925	0.38225943	0.19708033	0.5137425	0.09475836	-0.16638383	0.403395	-0.9981168	-0.046071444	0.37096357	0.049859073	0.42361742	-0.020290336	0.07047243	0.069043644	-0.9547783	-0.92954975	0.13781561	-0.83721	-0.3058554	0.28387392	0.8331229	0.18503645	-0.35439652	0.10026249	-0.13569082	0.14516051	0.20276019	0.1615642	-0.04811745	0.42797855	-0.36101043	-0.7330729	-0.047339078	0.7362693	-0.37810394	0.09220132	-0.6221864	0.05034458	-0.78807586	0.9918034	-0.062110975	-0.11503251	0.42743924	-0.99881244	0.10831772	-0.58073825	-0.29750654	-0.048661128	0.25280154	-0.2069086	-0.33073452	0.36909655	0.4499003	0.9985859	-0.1783851	-0.2702853	-0.3571882	-0.34286755	-0.024836099	0.012604469	0.039967805	-0.81416756	0.16877703	-0.22378892	0.9914137	0.05941701	0.007719174	0.044173237	0.0373384	-0.2079028	0.8849177	0.6345223	0.31136593	-0.6399445	-0.015800243	-0.99254054	-0.12923415	0.97373086	0.44830847	0.051546995	0.6039592	0.6877562	-0.60454553	0.9983614	-0.3044459	-0.2524737	-0.2832073	-0.19472156	-0.3088673	0.23027822	-0.034397747	-0.27116472	0.9993796	0.015282014	0.004435007	-0.99263096	-0.070300244	0.16748254	-0.09100922	-0.20701249	0.17940862	0.5112166	-0.13291562	-0.33116943	-0.083814375	-0.7465344	-0.09923236	0.66607183	-0.53792995	-0.16282946	-0.9456318	-0.84910685	-0.16961491	-0.6419036	0.098123275	0.31349072	-0.5817233	-0.03735564	0.3629091	-0.85268885	-0.56360215	0.42552066	0.24778834	-0.17753965	-0.113474086	0.951209	0.42840037	0.34519595	0.12538104	0.16493264	0.5045929	0.12798832	0.5949083	-0.2340071	-0.56552464	-0.20671628	-0.2186395	-0.7206899	0.019090557	0.077353545	-0.41522542	0.05498917	0.22493385	0.34585026	0.4203446	0.27508596	-0.3038754	0.14280072	-0.48796558	0.066053905	0.4067401	0.25258145	-0.25132754	0.21436946	0.15116839	0.062411904	-0.1845643	0.032465298	0.060011704	0.9999912	0.40488765	0.38627797	-0.1738332	0.321585	-0.71713597	0.089596	-0.2670647	0.40684083	-0.3538455	0.13533548	-0.5773427	-0.65071845	0.29823402	-0.18232055	0.36487374	0.89914536	-0.06869198	-0.24606618	0.21456508	0.57633615	-0.18709573	0.05439275	0.52933586	-0.35762656	-0.2138268	-0.35778505	-0.99584234	0.28235108	0.29058722	-0.37132415	0.4229687	0.26937217	0.40693095	0.3199193	-0.010540191	-0.51674926	0.68783087	-0.006170708	-0.3817615	0.54568034	-0.03157765	0.43239313	-0.009200406	-0.9981456	0.4378773	0.123036295	-0.90337044	0.07433162	0.47585064	0.18360244	0.95604825	0.25212806	0.46867257	0.30865616	0.70802164	0.10102431	0.9990064	0.23330961	0.72089094	-0.29109338	0.0588119	-0.5475272	-0.9291405	-0.7078486	-0.07408914	0.22705373	0.99926364	-0.114856765	0.7156477	-0.30352965	0.5315657	0.99763995	-0.50054425	0.12833078	0.17061326	-0.3035671	0.47796744	-0.18304099	0.23740396	0.38037598	-0.3763251	0.99957764	0.06823407	-0.50665367	-0.043428462	-0.21042365	0.08341389	0.40980065	-0.5341338	0.7267886	-0.2595039	0.055200726	-0.35462186	0.9503963	-0.039251324	0.1309014	0.40032923	-0.06340998	-0.25449455	-0.51713234	-0.0899343	0.47165745	-0.7879523	-0.341662	0.31247732	0.10183071	-0.5089064	-0.00633867	0.006213714	0.20268722	-0.6060125	-0.07250506	0.008227618	-0.28550163	-0.49836475	0.13865535	-0.1564465	0.014060323	0.61044264	0.10449077	0.20821185	0.06755806	-0.31434113	-0.026558604	0.96697086	-0.99337065	-0.3410571	-0.6198248	0.2275759	-0.03334509	0.3563131	-0.10927153	0.8578343	-0.047457147	0.102407575	0.15205547	0.24694012	0.59052426	-0.025783984	-0.32952288	0.030987991	0.031979278	-0.690373	-0.59546053	0.4903658	0.25850138	-0.3568322	0.4870669	0.9694949	0.10327306	1	-0.318735	-0.12413898	-0.36056474	-0.20206313	-0.8685577	-0.18938892	0.11996435	-0.6068774	-0.45750237	-0.365842	-0.3876184	0.002111871	-0.2698886	0.7456656	0.025993876	-0.27261567	0.24305749	0.57924235	-0.38491252	0.10317368	0.43417788	0.8212677	0.8625496	0.7366326	-0.8659548	0.23610246	-0.3869681	-0.13369757	-0.30998847	-0.1896408	-0.050547346	-0.17794967	-0.20840228	-0.11326386	0.8458533	0.46898952	-0.62667835	0.31501022	0.29105332	-0.09099854	0.8846766	0.036760103	-0.9934408	-0.096224934	0.9946456	-0.18571357	-0.40736347	-0.8955291	-0.24044982	0.76079124	0.46626005	0.06021994	-0.7123194	-0.12552136	-0.009369276	0.8233412	0.07575943	-0.5610535	-0.43230587	-0.07263847	0.19914086	-0.08421975	-0.99989283	-0.9990772	-0.9972147	-0.32109058	-0.10749069	0.15926379	0.29784468	-0.33456242	-0.7161006	0.5801107	0.15365931	-0.40072355	-0.7355989	-0.06672319	0.53558433	-0.37590706	0.49603757	-0.06878098	-0.5919026	-0.993987	-0.9998422	-0.5984419	-0.14989346	0.009111709	-0.6094431	0.14259933	-0.853756	-0.3878786	0.25686032	0.3061092	0.31124285	0.3318875	-0.33000588	0.8819868	0.47084993	0.78848773	0.047788084	0.44239655	0.41740713	-0.90243554	-0.18185902	0.5578412	-0.27021885	0.8180535	-0.6041994	0.16019443	-0.17025197	-0.14686643	-0.48614883	-0.21771206	-0.07296226	0.30252212	0.47089416	0.16393943	0.19134791	-0.987673	-0.1106736	-0.23484975	-0.100065954	-0.55742085	0.23745555	0.9985653	-0.00533823	0.21300413	0.1591	0.4103789	0.24875578	0.21218261	0.942372	-0.1338255	-0.7531643	-0.53668123	0.26713887	0.25033167
15	0	O=C(O)c1cccc(C(=O)O)c1	-0.78667516	-0.4348542	-0.76898456	0.29962346	-0.4404017	-0.23468623	-0.1793759	-0.5991242	0.64457804	0.52522844	0.024017202	-0.18301001	-0.39334372	-0.36227304	0.056255694	0.71277404	-0.008796539	0.6548477	0.16982228	-0.14958161	0.6303905	-0.72529894	-0.2313088	-0.35963604	-0.07201735	0.6161242	0.6027502	0.3022276	0.09471514	0.19367085	0.12661323	0.3351109	-0.21141398	-0.2975823	0.26511186	-0.6656952	-0.3377751	0.35121685	0.3919701	-0.625791	-0.9940209	-0.4645052	-0.050582223	-0.118739516	0.15519214	-0.99713826	-0.46381968	0.004631486	0.8500031	0.15330173	-0.09831903	0.47536254	0.42992973	-0.09738081	-0.9002047	-0.06865587	-0.63080305	0.92026603	-0.24767359	0.1565113	-0.21052408	-0.5281279	0.44984558	-0.38743713	0.45572507	0.22041698	0.1134296	0.32455873	0.23316559	-0.18061894	0.40456268	-0.99816793	0.16553085	0.2630162	-0.041378625	0.69596577	-0.48165128	-0.15939556	0.080307476	-0.9990478	-0.9169093	-0.43636087	-0.74362713	-0.4853181	0.31856853	0.8128778	0.5150817	-0.038045827	-0.2218051	0.11511196	-0.12336393	0.29839787	-0.054269455	0.37390578	0.9752189	-0.29267514	-0.6623185	-0.16817757	-0.10014257	0.15691452	-0.19110608	-0.07567921	0.35782716	-0.4369473	0.88469255	-0.29552624	0.29784647	0.20373985	-0.9974935	-0.24894051	-0.41224992	-0.24947034	-0.52661806	-0.6790128	0.324595	0.27721763	-0.25110647	0.3811642	0.99975944	-0.39407957	0.31014678	-0.030300044	-0.8028995	0.4663383	-0.4867871	-0.018439047	-0.50647324	0.4069677	0.046622016	0.98705137	-0.18016751	0.004400131	0.17732489	-0.029696193	-0.37842116	0.2633109	0.51777893	0.051418234	-0.76744837	0.039910194	-0.9941529	-0.34869015	0.88477314	0.5787247	0.37315375	0.40537405	0.43526903	-0.17104183	0.99335086	-0.17349803	-0.5837742	-0.665036	-0.2599729	0.45461303	-0.5058764	-0.03823618	-0.41719222	0.998836	-0.3345493	-0.53782105	-0.99555314	0.62438697	-0.052122608	-0.506033	-0.3333896	0.3397916	-0.30677158	0.46941963	-0.52374196	0.50819504	-0.793192	-0.21322839	0.5223346	-0.05675208	0.5705701	-0.9830633	-0.7914028	-0.60297775	-0.29541805	0.22891988	-0.059291787	-0.99378866	-0.43815494	-0.20737782	-0.77413166	-0.3430883	0.043823626	-0.060062736	0.0788364	-0.07280232	0.85482484	0.23595372	0.5794656	-0.08911387	0.04218766	0.14709231	0.30769795	0.58739656	-0.22841664	-0.33103022	-0.17776525	0.12714581	-0.3396625	0.11735879	0.5309921	0.42404956	0.38350478	0.514597	-0.066204876	-0.9397047	0.3199858	-0.5313829	0.49544147	-0.51069516	-0.24279125	0.35103557	0.02978021	0.18624856	0.17051893	-0.16697413	-0.022641247	-0.30962485	-0.2850138	-0.19342181	0.99998635	0.10896187	-0.34160933	-0.3679006	0.21999013	-0.29870003	-0.15096734	0.43788695	0.34850988	-0.24579051	-0.39186546	-0.4295069	-0.36951315	-0.015249201	-0.4085392	0.016195692	0.8523038	0.20678532	0.13745502	-0.7356549	0.01864522	-0.047878206	-0.21162559	0.50282604	-0.26949963	-0.25969416	0.4540109	-0.9984658	-0.64919853	0.37558678	0.2603532	-0.15005659	-0.4216311	0.6603075	0.05323957	-0.205103	0.13009997	0.35949704	-0.026085373	-0.56005275	0.21699345	0.3360699	0.42205596	0.6301648	0.14483047	0.45689404	-0.13659354	-0.89104193	0.4075956	-0.11798939	0.11852427	0.9285504	-0.064867444	-0.098211944	-0.32645252	0.6143877	0.24086869	0.99969405	-0.1853947	0.05767047	0.3452322	-0.2176244	-0.5893133	-0.96312773	-0.45839715	-0.05225411	0.30665523	0.99961215	-0.18677637	0.783879	-0.46377897	0.22727275	0.997856	-0.37606013	-0.31169578	0.21618523	-0.003896528	-0.04054102	-0.3933268	0.19115974	-0.104794964	-0.25115848	0.9942705	-0.23699668	-0.21685356	0.042154003	-0.32627073	0.2914036	-0.11870415	0.23144217	-0.7127783	-0.008815289	-0.43020764	-0.6074473	0.873619	-0.34260914	0.005632377	0.66839784	0.52683026	-0.52318084	-0.41215774	0.25773862	0.30717486	-0.93347496	-0.1994573	0.040684946	0.22740272	-0.13912465	-0.28283593	-0.6545614	-0.03533196	-0.8510835	-0.08201388	0.18266189	-0.13716063	-0.019012028	0.7030066	0.10659983	-0.005641516	0.628321	-0.26187947	-0.13472833	0.3247055	-0.4066065	-0.13720107	0.8947104	-0.9958806	0.08926465	-0.6716745	-0.071167834	0.22509058	-0.6045504	-0.28877333	0.99784243	-0.095285565	0.6781215	0.29390132	-0.04752156	0.20908104	-0.21521693	-0.29264435	-0.180715	-0.001522434	-0.20087342	-0.120869756	0.43874383	-0.2249098	-0.14329986	0.36060193	0.95063186	0.12778035	1	0.16382499	0.080235414	0.092559695	-0.6641833	-0.90511334	-0.45345995	-0.1523054	-0.41706172	-0.08886026	0.24643853	0.5466754	0.057065547	0.30263597	0.7547954	-0.031829536	-0.23872298	-0.29558507	0.3745163	-0.069200285	-0.5775261	0.35052767	0.85063463	0.826076	0.63467807	0.002007839	0.20186082	-0.038657334	-0.18587197	-0.073136024	-0.16056733	-0.49833798	0.39626858	-0.44101286	0.12358523	0.31259584	0.0347906	-0.5303883	0.2953573	0.00985755	-0.31836012	0.95808977	0.26072204	-0.99636173	0.08204735	0.99978316	-0.624817	0.02895	-0.95457387	-0.4353415	0.73524624	0.6446996	-0.058419794	-0.1952186	0.089857265	0.45010412	0.71307296	-0.11622503	0.21020772	-0.07558135	0.028487816	-0.027448054	-0.3018688	-0.9999881	-0.99959695	-0.9955886	0.10214349	-0.42085144	0.22806133	0.5166539	-0.6683198	-0.84625906	-0.15859163	-0.26289368	-0.4915298	-0.78302145	-0.1717873	0.21714365	-0.043171316	0.42952707	-0.19302152	-0.45108882	-0.9892486	-0.99997777	-0.5397394	-0.19555192	-0.26433092	-0.22747666	-0.17898709	-0.5255253	0.43977195	-0.4398492	0.25996894	-0.1895917	0.33016345	-0.3149925	0.90612125	0.3754619	0.7747513	0.08399691	-0.7206782	0.14264819	-0.87122786	0.4090184	0.25871402	-0.2643949	0.8400815	-0.06821739	-0.08901191	-0.09576497	-0.68548065	-0.40812114	-0.08821384	0.10713328	0.38988155	-0.060548723	-0.19798619	0.2594606	-0.7432592	-0.07723504	0.031801637	-0.11851647	0.064063676	-0.05476121	0.9996698	0.2462125	-0.025657455	0.28440073	-0.57587403	-0.20514509	0.061271273	0.28972942	-0.37095314	-0.46636903	-0.46311355	0.78338796	0.3125344
16	0	CC(O)CCO	-0.593197	-0.108737834	-0.39331523	0.8563857	0.019606773	0.08954388	-0.111888245	-0.13138476	-0.61338717	-0.012223197	-0.6242499	-0.50657135	-0.54811555	-0.21790107	0.57768196	0.3511456	0.18353274	0.024613613	0.4010269	0.03681451	0.42836595	-0.9116288	0.14132342	0.1029961	-0.07648967	0.36750886	-0.05237969	-0.10068597	0.22710854	-0.24264173	-0.13085578	0.6458004	0.47211543	0.007212688	-0.24877988	-0.3744546	-0.22242807	0.62345886	-0.9692007	-0.7716048	-0.9540247	-0.3294756	0.2648277	-0.42076865	-0.29414317	-0.985991	0.49324888	-0.20343384	0.9044563	-0.06442069	0.41290805	-0.07761308	-0.054821122	0.21827115	-0.8563375	-0.4354873	0.7708793	0.95574236	-0.056799978	0.21437323	-0.45626357	-0.20233335	0.34081465	-0.2651594	0.002724773	0.0939643	0.54704	0.11959769	-0.60188335	-0.21757285	0.12840898	-0.9993469	-0.002878881	0.91237813	-0.2100868	0.844646	-0.4115653	0.18485339	0.070142314	-0.9988205	-0.88163257	0.08668243	-0.37279505	-0.6289679	0.5071274	0.95824337	0.47880957	-0.0695019	-0.17661208	0.047993716	0.5049641	0.1561888	0.06376118	-0.2933947	0.61019814	-0.067044064	-0.809289	-0.13732961	0.36438704	-0.5787763	-0.084140256	-0.046330165	-0.06315231	-0.9353893	0.99083585	0.50329745	0.60921407	-0.059358113	-0.9988832	-0.13546693	-0.29826614	-0.1851149	0.4074604	0.3868097	0.35599947	0.3904557	0.18115516	-0.16712739	0.9926403	0.14252873	0.05107748	0.06368259	0.1192244	0.09270979	0.21562949	0.13811484	-0.5617974	-0.36539212	-0.13196614	0.95409214	0.1311284	-0.3666017	0.10173772	0.1912995	0.089652956	0.9268417	-0.2374667	0.015077742	0.20856413	0.2349246	0.99816316	0.1837235	0.9565119	0.23867513	-0.40193903	-0.14203194	0.30702755	-0.4569054	0.9929103	0.5535196	0.15723908	-0.39133057	-0.095022604	0.17786929	0.33948326	-0.6395804	0.003452363	0.99633086	0.2512665	-0.35778734	-0.97345173	0.28160518	-0.001061977	0.4957807	0.06781229	-0.0744861	0.5626301	0.6195642	-0.5181621	-0.1506028	-0.71251106	0.034657538	0.036974616	-0.18365295	-0.31077978	-0.9652194	-0.40076572	-0.06303925	-0.2505386	-0.19931543	0.04022135	-0.32365242	0.2986632	0.08324154	-0.7737007	0.078430615	0.015620974	0.5937472	-0.43773583	0.6487519	0.5384737	0.558773	-0.65781677	0.14221656	0.12271585	-0.69018924	0.29089913	0.10726781	-0.1730764	-0.3819845	-0.6214803	-0.26473436	-0.4156332	-0.10940707	0.43837243	-0.30223352	0.20563248	0.5745694	-0.18025362	0.9534061	-0.026319407	0.2788304	-0.15983614	-0.58105075	-0.051802654	-0.0666798	-0.16264391	0.4101813	0.028436247	0.065800995	-0.1480256	0.28917226	0.6197516	0.01946567	0.99999684	-0.7044712	0.004001054	0.13001797	-0.10900472	-0.2944357	-0.047706645	-0.3724603	0.14258331	-0.2284651	0.47605196	-0.18133971	-0.28963238	0.6833291	-0.26342398	0.13065115	0.8395074	-0.011489071	-0.5283739	-0.34978706	0.003141208	-0.29056296	0.30725506	0.20982864	-0.050557457	0.24657218	-0.021295117	-0.9977663	0.146393	0.27091473	-0.5798726	0.21940705	-0.68183714	-0.25512898	0.38459346	-0.3629947	-0.44254237	0.17519164	0.0635897	0.005543316	-0.5904553	-0.010013301	0.29004776	0.3697763	-0.8549877	-0.010370389	-0.43625733	-0.84626883	0.5525846	0.49887982	0.16603294	0.49926445	0.10035199	0.1390949	-0.33725116	0.6723119	-0.24349312	0.9954811	0.024924709	0.74313694	-0.5743169	0.67600536	-0.4596998	-0.94865775	-0.8723514	-0.12649462	0.44068316	0.9951493	-0.07959868	0.83011925	0.19273984	-0.19333357	-0.99537396	0.41892743	0.3732297	-0.34256336	-0.13556635	-0.12305921	0.35996303	0.027727881	-0.3324805	0.4701341	0.99920917	-0.1501803	-0.10469295	-0.37204546	-0.2984468	-0.0456234	0.24022155	0.1728888	0.7191976	0.3339752	0.45769176	-0.32916296	0.9011802	0.5594088	-0.43132335	0.184831	0.15280914	-0.527937	-0.6158616	0.017166633	0.00323468	-0.669892	-0.019282721	-0.16461286	0.09215985	0.13141651	0.21312645	0.19132622	0.37787846	-0.8074772	-0.45947042	-0.061908375	-0.68232435	-0.5085481	0.6052843	-0.28487197	0.53224325	0.4464519	0.49665165	0.29014495	-0.05203163	0.31652194	0.7607889	0.96911144	-0.96408343	0.21146233	-0.5477171	0.1744085	0.065892175	0.27931958	0.41990957	0.08308014	-0.007560955	0.038755372	0.06628677	0.24377741	-0.015674263	0.15150994	-0.08279075	0.35480967	0.019221097	-0.68432045	0.33601084	-0.36408472	0.2906034	0.3845956	-0.37376526	0.9279083	0.07911189	1	0.06250617	-0.12640294	0.079752706	-0.72858137	-0.8074191	0.21050319	0.25212637	0.25395745	0.52895236	-0.3630393	0.31473884	-0.16815339	-0.29287112	-0.2120678	-0.4821651	0.26254472	-0.65251034	-0.37105837	-0.3529516	-0.34102163	0.17640124	0.9032727	0.67580485	0.62987024	-0.8413213	0.07847305	-0.7664792	-0.7779426	-0.13485718	0.26991612	-0.42192453	-0.082128465	-0.45638627	-0.31461516	0.30348113	0.78973895	-0.24969049	0.1245865	0.6520874	-0.7697878	0.7525747	0.36696875	-0.7948527	-0.22706589	0.5542461	0.03578444	0.3076847	-0.8434398	0.2958178	0.62018085	-0.2365128	0.14944752	-0.612507	0.56576586	-0.123314604	0.8822688	-0.34457907	-0.021009678	0.08634462	-0.39016724	-0.016172227	-0.1924176	-0.9990428	-0.99999905	-0.9892028	-0.49742937	0.017673705	0.5864359	0.33840516	-0.4989341	-0.20277534	0.450306	0.5907944	0.035762325	0.060502984	-0.1075036	0.18075977	-0.35661528	-0.19781071	-0.05680499	-0.11537099	-0.9896167	-0.99935514	-0.49417728	-0.6654924	0.2862422	-0.1586679	0.43144763	-0.7891555	-0.26110208	-0.44044062	0.0926395	0.17893557	-0.31384555	0.29664233	-0.9383744	0.7044047	0.93286216	0.26478788	0.7995112	-0.28875768	-0.7418994	0.09845693	0.3227179	-0.29733762	0.89715236	-0.5601033	-0.061847143	-0.6234261	0.5296024	-0.06295462	0.042189322	0.38462707	-0.036647733	-0.4640868	0.19824214	-0.18543933	-0.9934793	0.6396524	-0.07969405	0.4240752	0.48407614	0.64202493	0.9987618	-0.64180756	-0.37562642	-0.5355606	0.25968754	0.04194522	0.297751	0.95830125	-0.14885348	-0.40029886	-0.5412908	0.87240887	0.17056584
17	0	OC(CCl)CCl	-0.753718	-0.06068668	-0.5482828	0.62489426	-0.51834255	0.6954798	-0.5077957	-0.3411563	0.056765255	-0.6648306	-0.5233293	-0.29190442	-0.39489198	-0.5537458	0.7836325	0.003465322	-0.34959325	0.2532158	0.7256431	0.22728308	0.4509028	-0.73456895	-0.05295638	0.3273247	-0.31859997	-0.27266327	0.11966064	-0.37203425	0.6862175	-0.3236792	0.2994605	0.53710824	0.47987825	0.40414375	0.044918045	-0.23001543	-0.4143343	0.89377207	-0.96972674	-0.8452413	-0.87549394	-0.21134713	-0.21911597	-0.27366087	0.17728537	-0.9899695	0.46189842	0.46404082	0.99112725	-0.5372437	0.19189173	-0.2852867	-0.2538093	-0.33377454	-0.93703395	-0.05370029	0.37458813	0.95187956	-0.60015327	0.11455493	-0.6041331	-0.76726496	0.2788769	0.46927586	0.41315028	0.09553949	-0.37751064	-0.024044063	-0.3603904	-0.30179846	0.08465417	-0.9971611	-0.21306336	0.9006314	0.13278903	0.1270367	-0.1311554	-0.08315152	0.16101713	-0.9990275	-0.80657864	-0.0633767	0.26336956	-0.10423206	0.23261754	0.9274873	0.5107741	-0.020424983	-0.372301	0.18564609	0.28719497	0.6097954	0.1506969	-0.0664862	0.25133786	0.069889784	-0.6796936	0.14653194	-0.30289134	-0.87567884	0.492088	-0.25732064	0.05501485	-0.9018587	0.9942327	0.55437404	0.5195049	0.51147455	-0.8773841	0.036104478	-0.22223412	-0.4917592	0.33611494	0.10946553	0.03945894	0.2997799	-0.006845627	0.6778484	0.99653643	-0.024217047	0.009966732	-0.06550674	0.05154641	-0.26448792	0.43739784	0.19057398	-0.12080276	-0.26577574	0.12377454	0.99411917	0.5318739	-0.5011622	0.3612199	0.077999726	0.17200197	0.7423145	-0.30042547	-0.5772982	0.06856399	0.43806112	0.99655706	0.33374196	0.9891964	0.27554792	0.065768965	0.30239034	0.25497434	0.3534868	0.99540603	0.22590904	-0.4096933	-0.01659347	0.47116345	0.024172653	-0.30565706	-0.52277595	-0.003330583	0.9984565	0.10856826	-0.34939408	-0.9810609	0.36133802	0.31990877	0.2217582	0.74214643	0.09424386	0.18494439	0.6295412	-0.08456011	-0.20124328	-0.7012263	0.06438327	-0.09955854	-0.22068463	-0.09717689	-0.94523495	-0.6282934	-0.6047647	0.044494674	0.2022559	-0.090983205	0.58194256	-0.36896664	0.104889035	-0.7866653	-0.48630157	-0.45145094	0.33695877	0.09201391	0.18372251	0.4256767	0.21450576	-0.4597046	-0.41218656	-0.13882011	-0.45687005	0.19093351	-0.16988093	0.67240983	-0.14013001	-0.51448965	-0.24276201	-0.646871	0.1276773	0.41716954	-0.5203029	0.22561626	0.40106118	-0.7808403	0.90940225	-0.53011817	-0.38535726	0.20163073	-0.3678343	-0.2741881	0.04618733	-0.703616	-0.33576015	0.09940917	-0.38827974	-0.007942723	0.32813746	0.49483857	0.43647715	0.99855393	-0.34811273	-0.2798279	0.15079263	0.22949094	0.073330075	-0.6236303	-0.49745077	0.11198955	-0.12737608	0.44652355	-0.55243874	-0.5250495	0.33746806	-0.5944927	-0.089287795	0.90801257	0.110524505	-0.87089515	-0.15864581	-0.09803425	-0.38952744	-0.03299529	-0.2082276	-0.09339404	0.3782114	-0.053064257	-0.99851453	-0.13021731	0.49334717	-0.48833302	-0.11993577	0.41356725	-0.3879472	0.22804546	0.168844	-0.55778533	0.55376726	0.35314825	-0.2756517	-0.21732135	-0.16705804	-0.29093537	0.56609213	0.28538898	0.040248558	-0.21066	-0.3107677	0.32621422	0.06386122	0.35632533	0.94927293	-0.120600484	-0.37550917	0.049880948	0.5483928	-0.19442084	0.9966365	0.04353702	0.8228602	-0.7417159	0.4027838	-0.69782823	-0.75046813	-0.5336832	-0.09121839	0.58187985	0.99751586	-0.101683795	0.6364316	-0.23605569	-0.19455323	-0.9943113	-0.3455265	0.68977207	0.059807934	0.7104114	-0.2642181	0.7678952	0.55904806	-0.16364211	0.12227493	0.9995805	0.4736491	-0.41431963	-0.29700324	-0.5515304	-0.5363669	0.71924746	-0.1861759	0.91423786	-0.46568498	0.0377701	-0.12343355	-0.88756514	-0.119853586	-0.6045597	0.06531989	-0.19665071	-0.16391599	-0.28843492	-0.8190856	0.1235328	-0.7341748	0.22061361	-0.28458664	-0.33675495	0.18161488	-0.5967568	0.67136496	0.04363914	-0.18652184	0.18830493	-0.24973658	-0.70347834	-0.38673347	-0.06545516	-0.80218035	0.063501865	0.486606	0.6769071	0.34562165	-0.029481867	0.656892	0.34958434	0.9742364	-0.96887565	-0.26894543	-0.045167714	0.25489566	0.62916243	-0.15156983	0.008858237	0.5834562	-0.23388828	0.24871859	-0.3984106	0.13251334	0.74015874	-0.036054987	-0.23479399	-0.2755387	0.4494152	-0.29616946	0.40315953	-0.3717976	0.39970905	0.51344633	-0.02116015	0.9355731	0.25810182	1	-0.18934841	0.1239822	0.2725899	-0.2817513	-0.853189	0.76226455	0.70132416	-0.15008226	0.23493907	-0.3851038	0.31352738	-0.14390646	-0.36158586	-0.2869707	-0.4472625	0.45410773	-0.61457235	0.67176265	-0.4266585	-0.2880638	-0.07176277	0.45701826	0.74403787	-0.012434637	-0.9721882	0.39449373	-0.44729918	-0.36681846	0.001717631	-0.2891342	-0.26119983	-0.07302205	-0.7673897	-0.24541712	0.7237096	0.54436743	0.36182013	0.22268492	0.4789439	-0.06342901	0.99935174	-0.18550962	-0.56915903	0.5678857	0.90954137	-0.26036486	0.282723	-0.99259686	0.074187495	0.7989293	-0.224957	-0.23142315	-0.68582386	0.19301975	0.07627101	0.7043122	-0.21635048	0.15220545	-0.06217729	0.3714994	0.35958672	0.17947467	-0.99988824	-0.9999995	-0.99524	-0.29146525	0.13259281	-0.40013522	-0.012384365	-0.5115116	-0.53178316	0.68340427	0.26467532	0.1293842	-0.17782448	-0.11433064	0.3769783	0.5257178	-0.5768297	-0.17402945	-0.76436394	-0.99375	-0.99952185	0.31797042	0.011249797	0.093654566	0.6638093	-0.19655266	-0.9671015	-0.8711216	-0.58323795	-0.24866183	-0.2155262	-0.28961477	0.4388212	-0.92220247	0.39264426	0.9405024	-0.12517844	0.7810555	0.5770474	-0.5324106	-0.57171935	0.5412929	-0.4122981	0.36382014	-0.78726447	0.39040568	-0.3348811	-0.2463174	0.32276294	0.2421372	0.40205002	0.5245173	-0.28746295	0.197406	-0.013014028	-0.99533516	-0.17330272	-0.62489504	0.5972917	0.03765341	0.23515184	0.99972135	-0.46794116	-0.71352303	0.22726975	-0.25765178	-0.33309126	0.7403077	0.966352	-0.58509845	-0.10813241	-0.60535735	0.57416743	-0.004791829
18	0	Clc1cc(Cl)c2c(c1)N=C1CCCCCN1C2	-0.5884121	-0.32517263	0.294012	0.30811918	-0.4809421	0.13544166	0.4169236	0.44191906	0.26448813	-0.6499419	-0.2270428	0.19713998	0.8011812	0.102868974	-0.20286028	0.1529744	-0.28303298	-0.32946536	-0.29216686	-0.28492236	0.16528922	-0.4482096	-0.057001278	0.6731318	-0.37118974	0.052310877	-0.1153152	-0.55466026	0.29261196	-0.29038477	0.39052144	0.38759598	0.073952146	-0.11105459	-0.36816853	0.19795823	0.15154722	0.421726	0.97367996	-0.94236726	-0.99520093	-0.6505202	0.48986852	-0.36956316	0.54065996	-0.9545243	-0.1611674	0.2905019	0.68761945	-0.15405862	0.25231585	-0.27755836	0.5894565	-0.53131187	-0.85272914	0.34532332	-0.10428191	0.6623798	-0.26673234	0.64503604	-0.19770482	-0.25563312	0.3666592	0.5800128	0.25647986	0.28652164	0.53436065	0.6447136	0.17534223	0.7390339	-0.85948706	-0.61754245	-0.13957055	-0.24394016	0.5344266	-0.6331081	0.32105237	-0.52974343	0.08734331	-0.9992527	-0.13547018	-0.22329614	-0.7880855	0.48047796	0.074454606	-0.88732463	0.20467879	0.009726831	-0.19964051	0.35936987	0.74493754	-0.49532694	-0.31272137	0.47306645	0.9798753	0.40773112	0.5834723	0.20637523	-0.5087421	-0.30622506	0.7099264	-0.16568545	0.41284856	0.68400466	-0.58916396	-0.14595719	-0.5388671	0.16095166	0.93148196	0.2986133	-0.56073076	0.39637864	0.23129508	-0.26788247	0.54955894	-0.60920703	0.36212474	0.08952896	0.9987228	-0.442623	-0.32842788	0.24556579	0.052862078	0.68512535	-0.085430294	-0.1540914	0.11765749	0.590452	-0.31073168	0.999929	0.19955844	-0.1555465	0.1775208	-0.22210908	0.5625555	-0.9051499	0.13378096	0.11860678	0.44544032	-0.20257248	-0.99999243	0.40570277	0.9898645	-0.09720528	0.4752766	-0.056513865	-0.036660507	-0.11150581	0.6782857	-0.44041502	0.082417354	-0.44886386	0.6474046	0.16433504	-0.61806905	0.07354009	-0.18678655	0.97330874	0.054647755	-0.7049762	-0.9501562	-0.7425517	0.24628453	0.21035556	0.0742458	-0.38090461	-0.09944842	-0.74758357	0.54979765	-0.13238472	-0.7435173	-0.42273813	0.3684466	-0.06678707	0.47065282	-0.85014576	0.7843148	-0.16571383	-0.10768741	0.8293365	-0.15237981	0.69398946	0.36447823	0.27172887	-0.8362292	-0.44682133	0.68428326	0.20754017	-0.03751991	0.7035867	0.44738585	-0.37834504	-0.1292005	-0.124589264	-0.19030605	0.2311131	0.36959925	-0.7860187	0.77229077	0.6742048	-0.31417558	0.22472647	-0.072206296	-0.06292657	-0.077756576	0.4134187	0.35157213	-0.57150346	0.22186814	-0.99947256	0.004609237	0.6239352	0.11062861	0.77753246	-0.33328906	-0.45126393	0.21723542	0.008730293	-0.31271493	-0.2752116	0.53181034	0.26721436	-0.6433508	0.083808206	-0.9572504	0.18531144	-0.08899499	0.40811568	0.5973882	0.5124877	-0.28291655	0.029699946	0.41567934	-0.837569	-0.17136118	0.10760304	0.71267647	-0.22577187	-0.120829575	-0.45565763	0.9487073	0.7529263	0.46603978	-0.41985402	-0.6975174	-0.4819782	0.4559852	0.111979105	-0.7830598	-0.21333922	-0.21910329	-0.6373371	-0.48679253	0.5666553	0.11168714	-0.24137509	-0.12508304	0.23704015	-0.3990173	-0.6321865	0.045790277	0.8156928	-0.14227648	-0.7776337	0.7086074	0.06924039	0.2494225	-0.25579742	0.7463159	-0.5399396	-0.17876524	0.98775214	-0.21273991	0.19983013	-0.24367774	0.85244274	0.3721093	0.06836168	-0.6207672	-0.2794208	0.38157457	0.9995435	0.48536825	0.7028876	0.44367844	-0.26325923	-0.7779496	0.80436885	0.92267376	-0.231668	0.444738	0.99719304	-0.46587783	0.093546346	-0.21043153	0.83236474	0.99999833	-0.99544805	0.8172469	0.22095853	0.28996292	-0.122483104	0.31547558	-0.21346451	0.5721195	0.023954088	0.57717884	0.7934403	-0.5697217	-0.5082721	-0.49808836	0.50931954	-0.5216072	0.7581857	0.9270479	-0.34174296	-0.4418788	0.13863324	-0.9998988	-0.5108067	-0.23738192	-0.013119981	0.6609294	-0.6023516	-0.43705407	0.2056057	-0.5162446	-0.93439734	0.2538438	0.59748167	0.4603161	0.68474716	-0.34417465	-0.40338686	0.3520581	0.86368096	0.42155096	-0.49572253	0.61641926	0.66070706	0.6339202	-0.30555207	-0.30931702	-0.07943601	-0.1803359	0.42858884	0.2788424	-0.49059922	-0.06923127	0.20034774	-0.9897888	-0.16526295	-0.25829953	-0.18615597	-0.18838663	0.69500077	-0.47287896	0.9997827	-0.8661454	-0.62372154	0.78975695	-0.06048548	0.13601153	0.05691	-0.74624103	-0.5874169	0.767765	0.3938735	-0.17372489	0.6178109	-0.6682338	-0.37620538	0.7489478	0.4554671	-0.017184883	-0.998678	0.14116062	-0.58481604	0.29446688	-0.108290695	-0.57249033	0.4304114	-0.19951634	0.24286371	-0.5321389	-0.08449894	0.14592366	0.08811127	0.08840493	-0.46135807	0.22014329	0.49988276	0.7194099	0.55802	0.8443204	0.14727387	-0.6709636	-0.24297237	0.84001136	-0.5914148	-0.8331334	-0.061749786	-0.48918876	-0.20013583	0.18923905	-0.38370433	0.4160742	-0.39832586	-0.13270247	-0.045453798	0.56813014	0.7831377	-0.49388915	-0.15435123	0.5763688	0.17863522	0.99999976	0.25795949	-0.99585265	0.62813586	0.9995871	-0.41418898	-0.21393459	-0.9999027	-0.26112264	-0.24079898	0.27262282	-0.21279846	-0.38745773	-0.009039817	-0.36742818	-0.44063893	-0.5054192	-0.5089527	-0.5671567	0.11062141	0.504899	0.4291328	-0.99999404	0.9999999	-0.9549346	-0.12622865	-0.09113329	0.35650152	0.04867467	-0.38302732	-0.7836397	0.6704936	0.003114474	-0.35594967	-0.3144684	0.20832752	-0.2406633	0.40059006	0.24462853	0.26852015	-0.33123872	-0.7315739	-0.9999502	-0.3878042	0.13785328	-0.018961592	0.17115451	-0.4876117	-0.99261343	0.34093508	-0.16886015	-0.53221875	0.42714256	0.27805707	-0.65402335	0.83077306	0.06967862	0.59848905	-0.32732072	0.44355792	-0.58345723	-0.8169918	-0.35224202	-0.006343314	-0.48904803	-0.7410817	-0.12359844	-0.45119807	-0.29168937	-0.4278937	0.14480601	-0.614095	0.38716325	-0.8379965	0.60835767	-0.10535714	-0.31935436	0.82081914	-0.322619	-0.38013586	0.010821839	-0.46276593	-0.092941985	0.9996073	0.39528254	-0.29771137	0.042678624	0.40773085	-0.000383958	0.104214124	-0.94095784	0.4218103	0.103500165	0.7473678	0.04717373	0.15853451
19	0	O=[N+]([O-])c1cccc([N+](=O)[O-])c1	-0.22360095	-0.20003757	-0.44880918	0.040065963	-0.5232353	-0.38252264	-0.6582934	0.018788792	0.75570506	0.17758046	0.4574495	0.39383966	-0.3480402	0.27203485	-0.20074108	0.17733793	-0.01332131	0.68492967	-0.19136776	0.53492844	0.82771313	-0.591635	-0.15825102	0.1099808	-0.33972374	0.37682372	0.47498515	0.4934028	-0.3521684	-0.736395	0.2144824	0.20513509	-0.45598868	0.23607586	0.60254765	-0.20842357	0.3719334	0.68940943	0.45207772	-0.5412557	-0.9984715	-0.16080724	-0.0821822	-0.18757793	-0.43598813	-0.99739826	0.2965716	0.24499077	0.9959114	-0.18547174	0.21187282	0.032926276	-0.3384914	0.043578852	-0.90992683	0.16304041	-0.74465764	0.90230566	-0.041603293	0.63881403	-0.49376982	-0.50562006	-0.33955458	-0.4205816	-0.061908614	0.5934816	0.7283125	0.4780481	-0.04544277	0.11952706	0.88324624	-0.9980607	0.5105304	0.17723337	-0.5462445	0.5492497	-0.04400123	0.019401953	0.2919979	-0.99882907	0.60954696	-0.67521125	-0.8381646	-0.8261251	-0.17263538	0.7239569	-0.14230801	0.035116486	-0.891896	0.19201754	-0.49103138	0.215292	-0.17660233	0.028648488	0.9887405	-0.37963003	-0.50733846	-0.44257435	0.48364988	-0.16192469	0.6257881	-0.5734967	0.21558942	-0.42995268	0.7878658	-0.8176583	-0.2711841	0.45632392	0.99722767	0.09052732	-0.23451531	-0.43308857	-0.53057194	0.08391884	0.229447	-0.32638678	0.31966424	0.100369364	0.999869	-0.53257346	0.3354175	-0.0134233	-0.5624372	-0.30429134	-0.44203955	-0.4082792	-0.46320385	-0.18959044	0.3339298	0.98365545	0.36573482	0.56592715	-0.10229049	0.02548649	-0.1797237	-0.8645355	0.41605788	-0.34639418	-0.5680755	-0.5119532	-0.9899301	-0.45371836	0.64650464	0.19452766	0.30321845	0.18894279	0.52053815	-0.19783382	0.99195343	-0.021030009	-0.20376498	-0.4835752	-0.7207667	0.027356032	-0.32742208	-0.41530836	-0.03292839	0.99886525	-0.25031033	-0.9788693	-0.99672496	0.17954165	-0.0537146	-0.4779278	-0.17101379	0.5519955	-0.63910884	0.5733119	-0.75047773	0.42285818	-0.7110578	-0.22801995	0.18035859	-0.19071117	0.51771045	-0.94033736	-0.86492765	-0.05418444	-0.2202536	0.13054177	0.35292777	-0.99925166	-0.43775666	-0.23264539	-0.816642	-0.27467835	-0.117183805	0.42440444	-0.65176153	-0.16720784	0.62766933	0.66361326	0.6844218	-0.369513	-0.25933146	0.25277627	0.36133432	0.9527121	-0.002543907	0.49008998	-0.2155369	0.2859346	-0.128822	0.31185555	-0.42424738	-0.67246443	0.7086575	0.26320356	0.07941937	-0.9029933	0.4280018	-0.32383892	-0.17240961	0.04644906	-0.05352689	0.82948023	0.79855853	-0.15046768	0.18354361	-0.38926134	0.005884953	-0.04069582	0.37988266	0.47602388	-0.95128506	0.43932584	-0.0928927	0.13168155	0.39446253	-0.36111268	-0.3491386	0.7253315	-0.044131316	-0.4719491	-0.67802376	0.08201834	-0.31053144	-0.23768322	-0.035664354	0.026022939	0.24834195	-0.02435641	0.51177317	-0.045679256	0.33183038	0.05189107	-0.28032637	0.33150455	-0.18924777	-0.48141286	0.090008564	-0.998681	0.08948129	0.44349763	0.15208817	0.16198824	-0.39099723	0.40868798	0.12634443	-0.293099	-0.71930826	0.4941312	0.24825984	0.11429568	0.22966205	0.40350783	0.37816325	0.73713547	0.74381435	0.07527144	0.048857797	-0.8531308	0.7165304	0.42885536	-0.07203489	0.941372	-0.067539155	-0.38456488	-0.47394022	0.17263225	0.5418396	0.9998133	-0.33987212	0.48954403	-0.1505205	0.2643089	-0.48904765	-0.050146632	0.9606441	0.008321085	0.517221	0.99973947	0.4502305	0.77146935	-0.16457164	0.52418286	0.99909234	-0.3051911	-0.55454075	0.3407702	0.11213259	0.7600969	-0.71093893	0.6264373	-0.03970536	-0.16708992	0.99536765	-0.17128888	-0.25178432	0.3781584	-0.49331936	0.12785086	0.31545404	0.008073976	-0.9554942	0.16596012	0.4196743	0.1806692	-0.9999963	0.46028164	0.33166847	0.077867836	0.45376256	-0.7035793	-0.32453513	-0.33003443	0.3845092	-0.80580485	-0.6907244	-0.15559137	0.029164793	-0.38200226	-0.4789733	-0.69742644	-0.062184356	-0.8946386	-0.32536024	0.18022671	-0.48101318	0.3329021	0.8057242	0.34169275	-0.56419444	0.56950206	0.36675012	-0.23479748	0.45585337	-0.64859146	-0.522064	0.8980458	-0.9960116	0.1866604	-0.68836135	-0.018308507	-0.1964682	-0.29905775	-0.15498976	0.9977825	-0.20800613	0.48852664	0.5291226	0.44268999	0.42194968	-0.4123947	-0.12293667	0.024564259	-0.5105599	-0.5110594	-0.31258813	0.585176	-0.35005417	-0.021774592	0.4239801	0.9114508	0.27215514	1	-0.28624785	-0.5355585	-0.567483	-0.49220157	-0.876758	-0.23025052	-0.10233434	-0.8663296	0.5279358	-0.2536374	0.41167757	-0.7437259	-0.35088512	0.7716787	-0.18345882	-0.678736	0.30048728	0.6517305	-0.35719237	-0.69540966	0.79809964	0.79390633	0.8560019	0.6378032	0.64359754	0.03247639	-0.14288227	-0.29644585	0.034111857	0.29940942	0.12879752	0.999196	-0.46834737	0.21777518	0.8516876	0.08151377	-0.526492	0.60763013	0.40362316	-0.21105418	1	0.29802632	-0.9734761	-0.020389462	0.998953	-0.52856255	-0.1331313	-0.9999376	-0.7355971	0.4747458	0.71410745	0.38485137	-0.7551275	-0.33574432	-0.34299442	0.8384126	0.06714907	-0.6711778	-0.20207196	-0.087186605	-0.46818268	-0.2515853	-0.9999899	-0.999668	-0.99575704	0.7108299	-0.3874498	0.26082873	-0.09788657	0.0696336	-0.78304595	-0.31146115	-0.13694946	0.015390705	-0.83010954	0.3175794	0.36970156	-0.40436465	0.32433847	-0.26308945	-0.12752415	-0.99023265	-0.9999901	-0.20010422	0.52584696	-0.55381095	-0.590229	-0.09645191	0.21603402	0.71887434	0.17347018	-0.40241408	-0.20205727	0.07941117	-0.36570835	0.9200994	0.4204636	0.7852235	-0.18863635	0.00825556	0.146368	0.5161405	-0.16920625	0.037446816	-0.061486535	0.8612188	-0.3067333	-0.5698117	-0.34991497	0.09402879	-0.62436646	-0.52370363	-0.41079482	0.4070706	-0.21387926	-0.17322174	0.4144147	-0.77888024	0.113716476	0.17749834	-0.885653	0.39423525	-0.53473943	0.99874514	0.38506827	-0.041150916	-0.36799675	-0.13746479	-0.6436015	-0.23086871	0.35281482	-0.24684137	-0.8204864	-0.6691397	0.7290351	0.004341381
20	1	N=C(Nc1ccccc1)Nc1ccccc1	-0.82784903	0.14927572	-0.442301	0.2701864	0.53526455	-0.6226778	-0.70002896	0.3839618	0.12448687	-0.3201081	-0.79370815	-0.22512302	-0.13086635	-0.56022584	-0.049688328	0.57206553	-0.18594792	0.2218821	0.30708113	0.396367	0.5241058	-0.9093339	-0.40605193	-0.12785742	0.26336277	0.55311745	0.15404573	-0.22034977	0.613864	-0.009859034	-0.35985288	-0.12330811	-0.3893024	0.005260652	0.15674348	-0.45585757	0.2415401	0.56091005	0.87622416	-0.9094507	-0.95987374	-0.19623238	-0.1357354	-0.2916004	0.14040533	-0.9867449	0.051544294	-0.3002474	0.5342122	0.3210176	0.045402877	-0.24599668	0.61323225	-0.3739973	-0.7237901	0.42466515	-0.6214475	0.91542816	0.28811842	0.37798324	0.09205383	-0.4793441	0.20101179	-0.035944697	0.025025053	-0.114974774	-0.372837	0.3712424	0.17051716	0.21813303	0.1345063	-0.9251447	0.552836	-0.11162567	0.7101731	-0.65092504	-0.5473874	-0.5881426	0.19554639	-0.9831409	-0.7938213	0.326669	-0.7692521	0.451415	0.30749854	-0.65561986	-0.22160316	0.23365715	-0.1798397	-0.4007856	-0.4446509	0.14307575	-0.25571957	0.03384156	0.91767967	-0.27018908	-0.31430402	0.3271735	0.2001613	-0.73432064	-0.4488153	-0.63923675	0.27406898	0.97400516	-0.03973934	0.44459862	-0.037345774	0.32889983	-0.9999027	-0.44384116	-0.60188675	-0.3862071	-0.14685145	0.13391732	-0.5261959	0.49855542	-0.24145986	0.75874233	0.9981532	-0.21384364	0.45214248	-0.17611754	-0.17950389	0.210725	-0.6665582	-0.36584827	-0.43722254	-0.002379528	-0.24157536	0.99976623	0.1981842	0.350254	0.0980101	-0.5752585	0.08944299	-0.85972226	0.21764708	0.94058776	-0.65971327	0.66783315	-0.99967253	0.10229113	0.9853612	-0.735582	0.6478561	0.13509564	0.29271236	0.1812464	0.89167935	-0.68094575	-0.4720403	0.96057785	0.8177042	0.42291287	-0.107712455	0.086988114	-0.29178706	0.9930908	0.015610112	0.9714565	-0.9789543	-0.35328704	-0.2553847	0.37313053	0.24456133	-0.22045748	0.2952881	-0.23110887	-0.5319636	0.017482197	-0.025272101	-0.520736	0.504225	0.68802834	-0.4098286	-0.9688545	-0.7566077	0.30036056	0.17397915	-0.4142801	0.23461752	0.31647	-0.09073496	0.48877275	-0.86178744	-0.46978194	0.5528459	-0.3516667	-0.27898073	0.3592281	0.15177199	0.083791815	0.26808298	0.30030155	-0.028109398	-0.50766975	0.006340282	0.042889327	0.6170464	-0.12284491	0.6328858	0.036630597	-0.7663643	0.4513916	0.18785655	-0.12960888	0.2379106	0.06654434	0.18563662	-0.9973417	-0.002218118	0.4328817	0.50815976	-0.11933791	0.69911075	0.49978417	-0.53358245	-0.36902288	-0.22450407	0.45046568	0.09400968	0.034221236	-0.82759684	0.18413594	0.37132782	0.5219879	0.009537583	-0.37891012	0.44950455	0.59968245	-0.4826882	-0.11067206	0.4053269	-0.2694052	0.4892815	-0.32730126	-0.56458735	0.66696846	-0.39369997	0.0795244	0.7505573	-0.37100855	-0.40675482	-0.41601425	0.56667024	-0.44372657	0.16890056	-0.2896165	0.23399039	-0.08922084	0.86650634	-0.9667775	0.34763372	0.7140682	0.5801242	0.6374225	-0.14638402	0.7957307	0.25909594	-0.4496146	-0.42652252	0.67399085	-0.6524622	-0.20460759	0.7146881	0.522798	-0.013196151	-0.21324375	-0.9956664	0.1791031	-0.48806795	-0.29950663	0.19271505	0.071579434	0.64640874	0.91302574	0.31117234	0.5406681	0.39158344	0.60705787	0.37166032	0.99969596	-0.127729	0.27995774	0.5389109	0.22622019	-0.18212558	-0.92530394	-0.99637675	0.482085	0.025683496	0.9985971	0.4399072	-0.7057537	0.08511073	0.113268934	0.99993265	-0.98382765	0.43819237	0.2691385	-0.59733886	-0.39833087	-0.028273271	-0.400009	0.5315487	-0.600795	0.93294394	0.622344	0.74696904	-0.32746688	-0.3627833	-0.073344976	-0.022236664	0.055907667	0.9396941	-0.59836954	0.029980304	-0.1843952	0.99980855	0.04632983	-0.34797233	0.6984421	0.44002718	-0.6926571	-0.6419376	-0.57224447	0.61141837	-0.9536108	0.21107842	0.26571274	-0.23327418	0.27922007	-0.13644053	-0.07304943	0.31456506	0.4834772	-0.1575278	0.017649207	-0.5152012	0.39490366	0.033666138	0.29090303	-0.10241203	0.7899903	0.6719853	0.4257186	-0.12130613	0.6245326	-0.647365	0.4050426	-0.99731827	0.0891965	-0.31982797	0.42479047	-0.13746598	-0.2468074	0.09979467	0.99975896	-0.25090787	-0.21519229	-0.30228153	-0.2858229	0.58309495	-0.42444497	-0.8363911	-0.20746835	-0.40459728	-0.6803849	-0.63671476	0.7119799	-0.38603574	-0.25969154	-0.12245983	0.84688383	-0.14729744	0.99853176	-0.41848162	-0.00871994	-0.21976182	-0.4935947	-0.7838371	-0.22836131	-0.003245152	-0.48897162	0.17255764	-0.009289179	-0.23664828	0.5618651	0.48068458	0.4511064	-0.048399914	0.4235618	-0.17830327	0.3549215	-0.5379031	-0.14703241	-0.11913589	0.1832722	-0.6165961	-0.15366818	-0.7717549	-0.008519975	0.6003752	0.69354934	-0.67924935	-0.29537147	0.17102636	-0.7387651	0.5056994	-0.3985287	0.80112046	0.56631726	-0.043639008	0.013891399	0.016677646	0.26953232	-0.7718382	0.6777476	-0.97541475	-0.03729528	0.99954313	-0.44170508	-0.1854242	-0.7821442	-0.5171237	-0.058405567	-0.101998605	0.3326548	-0.33851627	0.5571	0.1161345	-0.122416295	0.24003454	-0.13611232	-0.71846825	0.44048858	0.042050704	-0.35759607	-0.99997246	0.94146097	-0.94411826	0.069807	0.21614802	0.26646903	-0.6344589	-0.5346973	-0.7639725	0.25307772	0.5018465	0.00718185	-0.74475586	-0.13602662	0.4736871	0.4845718	0.20711213	-0.37167528	-0.3622682	-0.919835	-0.99993914	-0.6028476	-0.3162281	0.2326401	-0.7202873	-0.49461246	-0.9876768	-0.3715029	0.32238954	0.07312324	0.12771304	-0.72422963	0.15554169	0.8912945	0.3172091	0.7507141	0.39647457	0.17825927	0.4523199	-0.96209264	-0.62359357	-0.2949402	-0.38396716	-0.4719738	-0.90353113	0.091222964	0.23137136	-0.32531473	-0.7692618	-0.50776464	0.17957883	0.59334934	0.70708466	0.028037943	0.5508826	0.34189975	-0.50936264	-0.4246451	-0.5459752	-0.75090957	-0.04986027	0.999939	0.24492815	0.3210129	0.4996741	0.012327348	0.08507732	-0.32232997	-0.76691157	0.74231267	-0.62126964	-0.64262664	-0.25713024	0.4715548
21	1	Nc1cccc2c(N)cccc12	-0.7258572	0.030925944	0.609228	-0.37564954	-0.07855616	0.25009045	-0.6416494	-0.17458855	0.40091175	0.21914288	-0.71972525	-0.5649939	0.5166914	-0.6636959	-0.06645378	0.78972423	-0.022174576	0.15913895	0.40026802	-0.35239443	0.473502	-0.89208287	-0.10596611	0.41445538	0.3088838	0.4328792	0.22571167	0.32101828	0.04316322	-0.45531818	-0.15933794	0.43496764	-0.05017751	0.24022205	-0.42964447	-0.3439952	0.09270024	0.5717643	0.29442257	-0.94404465	-0.9303495	-0.6287408	-0.54882616	-0.3955971	0.32980946	-0.9960339	0.16463237	0.24611078	0.49909472	-0.14940482	-0.6152532	0.2800053	0.47553128	0.08847379	-0.9818633	0.15356961	-0.6748196	0.9486129	0.40672705	0.03323173	0.3945465	0.19716851	0.21981895	-0.39326954	0.5340605	0.2170567	0.2173231	0.47137854	0.52094126	0.15691975	0.023473596	-0.98735774	0.26420224	-0.6894102	0.49280742	0.033963	-0.20217852	-0.13972276	-0.010452661	-0.96653897	-0.84035546	0.4554994	-0.8243618	-0.2513986	-0.057825506	0.10000754	-0.19647475	-0.45165753	0.028330041	0.16617651	0.04092587	0.1568756	0.18341608	0.07051044	0.62432617	-0.39351067	-0.10241575	0.3365499	0.80491376	0.04048046	0.60704494	-0.5981584	-0.07378693	-0.825624	0.899679	-0.41056165	-0.35250482	0.2695261	-0.99880534	-0.21774024	-0.5692759	-0.030457672	-0.4140585	0.1876447	-0.35059786	-0.41974387	0.5090772	0.17516723	0.9993454	-0.22538948	-0.19318497	-0.4877213	0.14103477	-0.20858021	-0.06797074	-0.00786547	-0.7879194	0.09600175	0.10162848	0.99863786	-0.07601021	0.28015992	0.20962818	-0.19797713	-0.13538952	0.50989825	0.7770297	0.6728497	-0.7447085	-0.064513	-0.99960655	0.019780075	0.98699796	0.2545893	-0.014104242	0.66693634	0.17868729	-0.19565113	0.9932334	-0.60906947	-0.5317843	-0.4595262	-0.40452304	-0.08557131	0.1262854	0.09161378	-0.227718	0.99831647	-0.23016946	0.11518671	-0.9939529	0.12113736	-0.057532627	-0.19754441	-0.052575212	0.23409384	0.14735992	-0.032725543	-0.16517814	0.16282439	-0.89145905	-0.10391758	0.12556553	-0.33300182	0.1542564	-0.937576	-0.84504396	0.41643924	-0.57153517	-0.018813036	0.28214893	-0.6382549	0.20021439	0.06597998	-0.73234946	-0.6656559	-0.08534988	0.02443781	-0.31013703	-0.32068926	0.96689314	0.11533417	0.23075017	0.1716622	-0.17863098	0.48750022	0.29228708	0.46717942	-0.068125166	-0.51015705	0.219104	0.5497326	-0.4108011	0.38020507	0.5879451	-0.17378327	-0.07415693	0.24673969	0.6830962	-0.9631007	0.034958977	-0.3005127	0.19448029	-0.39317334	0.133132	-0.30802846	0.5718617	-0.035376225	-0.08563102	0.22203515	0.10009391	0.18706681	-0.6494866	0.005885713	0.99994475	0.3786909	0.65291286	0.15325703	0.13046315	-0.6235359	0.014798167	-0.2951336	0.10720855	-0.5906972	0.11791262	-0.60848045	-0.73479044	0.16181913	-0.49888703	-0.22748433	0.8985853	-0.30973318	0.19539943	0.062424764	0.6495293	-0.2563478	-0.31806803	0.57767797	-0.025748836	-0.5021373	-0.43310633	-0.96370405	-0.05478936	0.29831368	-0.51456565	0.06908829	0.32471204	0.54648244	-0.06752034	0.3525212	-0.64118403	0.3467955	-0.32563818	-0.64857453	0.4052038	-0.103352636	0.26744655	-0.39701784	-0.99793226	0.6894053	0.50292474	-0.5204207	0.30120847	-0.043133747	0.17810403	0.9065938	0.22971334	0.5979515	0.1806568	0.53916115	-0.09223983	0.9995369	-0.17383434	0.5723569	0.07336254	0.012647728	-0.25769675	-0.81266874	-0.3964214	0.10230566	-0.09072334	0.99930716	-0.014120221	0.8892615	-0.56820726	0.15573272	0.99994826	-0.90957355	0.008676832	0.015409809	0.001123199	0.61448634	-0.59401345	0.12666617	0.6979191	-0.72053725	0.9947118	-0.52031195	-0.7189784	-0.062053844	-0.1455855	-0.1429	0.66637033	-0.47579542	0.6364075	-0.045190673	0.27187708	-0.38582185	0.922668	-0.22209343	0.43425846	0.6259195	-0.34375402	-0.47166836	-0.46254772	-0.11467613	0.68258715	-0.88848895	-0.12676902	0.6272189	0.11132659	-0.3586417	0.03823755	-0.26799294	0.16139813	-0.11874099	-0.31098372	-0.0489446	-0.36067817	-0.34733343	-0.08296164	0.07747811	0.11719759	0.3313862	0.15135592	0.11126406	0.089006856	0.16207457	-0.3044559	0.9018038	-0.99599797	-0.08124918	-0.31744125	0.5683375	0.6120996	0.42834768	-0.45915064	0.99593246	0.43173134	0.05809158	-0.039252743	0.042933058	0.3093158	0.010861191	-0.66551816	0.3702379	-0.32327652	-0.20841654	-0.5276213	0.5755986	0.32697102	-0.117472485	0.7047231	0.9445672	-0.05211086	0.9986438	-0.18256553	0.39775932	0.027080674	0.20740056	-0.7795629	-0.38206396	-0.37265012	-0.65484554	-0.5702476	-0.45671862	-0.5049049	-0.2639466	-0.39151964	0.9136562	0.40406603	-0.1344415	0.010238007	-0.1461479	-0.46165434	-0.08368362	0.35036513	0.5850376	0.91507876	0.6258846	-0.8593891	0.29443136	-0.34692016	0.095924295	0.22014555	-0.4084225	0.14746778	-0.67553645	-0.49465638	0.10294197	0.7561362	0.32167956	-0.17264067	0.017593166	0.054071214	-0.09393446	0.95958793	0.14699776	-0.97829115	0.04304559	0.9995818	-0.49356738	-0.51586956	-0.95523417	-0.3227664	0.8059849	0.74350274	-0.062025666	-0.7362868	0.13506138	0.032082237	0.35292542	-0.07296462	-0.413983	-0.29892802	0.21250172	0.15446502	-0.12705357	-0.9999485	0.99413615	-0.9969539	0.2660631	-0.3578499	0.12488898	-0.002874629	-0.52950853	-0.7910649	0.5396211	-0.33521813	-0.5752806	-0.88073474	-0.39552212	0.09687476	-0.63305825	0.29924616	0.17031701	-0.47355375	-0.9786627	-0.99993265	-0.7757578	0.13764217	0.312823	-0.71595514	0.24113263	-0.9383206	-0.036747266	0.48594975	-0.2568286	0.44360164	0.33831617	-0.20962614	0.9743792	0.18254597	0.60849315	0.11335498	0.2228441	0.30075374	-0.8432137	0.04682624	0.68605846	-0.37828496	0.29402754	-0.055682696	0.40535772	-0.10587007	-0.30038777	-0.3180972	-0.06847706	-0.037565272	0.7199546	0.39590883	0.25253353	-0.13247676	-0.7567691	0.021976726	-0.2706475	-0.04961693	-0.40249863	0.30437437	0.9994481	0.31672198	0.33384874	0.2617042	0.31595233	-0.19157244	0.29702783	0.3442751	0.05987065	-0.6142954	-0.23608705	0.023236522	0.41638693
22	1	Oc1ccccc1O	-0.43980467	0.05164854	-0.2571559	0.7322886	-0.11389324	0.17492974	-0.728177	-0.14485203	-0.117423326	0.22304551	-0.62053066	-0.36468896	0.0765006	-0.7400471	0.076824225	0.62377495	-0.5060115	0.39162165	0.5015283	0.13913585	0.30608732	-0.8801972	0.30924752	0.48764408	0.19610758	0.17326686	0.28282037	-0.08298129	0.3382054	-0.14841609	-0.22308017	0.5211953	-0.1848058	0.20640582	-0.52041316	-0.048472073	0.046135	0.55949956	-0.8866076	-0.92545944	-0.98230845	-0.31158897	0.06796272	-0.32389206	0.42391586	-0.9924024	0.24446265	-0.431599	0.95934355	-0.22061586	0.18616113	-0.05956211	0.42531204	0.16411024	-0.9367739	-0.23319565	-0.42006382	0.9718892	0.06608609	0.4357682	-0.42827016	-0.027453192	0.3079016	-0.2202199	0.44637808	0.1822155	0.092694834	0.20492016	-0.2551092	-0.11926378	0.781865	-0.99617004	0.2160021	0.4500927	0.050661635	0.4397499	-0.4611213	0.323367	0.28258508	-0.97776455	-0.9303186	-0.03817612	-0.7706178	-0.40399438	0.3315111	0.8462894	0.3183185	-0.3595625	-0.0332591	-0.053400785	0.31868947	0.42910337	-0.03433993	-0.41178995	0.5645406	-0.16782124	-0.66738504	-0.11629694	0.61967707	-0.084180556	0.24629924	-0.24956082	0.035600755	-0.7807718	0.9894901	0.13321166	0.5188742	0.1489436	-0.99893403	0.45829907	-0.6840207	-0.41653588	0.21546672	0.13950787	0.19364242	0.56561995	0.77370846	0.34906125	0.99412185	-0.29278374	-0.21256202	-0.2363317	-0.28841856	-0.12721537	-0.1994999	0.03128585	-0.56681883	0.0986593	-0.12698703	0.98838645	-0.31530488	-0.17541225	0.14891581	-0.22839887	-0.421971	0.90862596	0.528182	0.3588069	-0.52713066	0.054440472	-0.99701536	0.10042853	0.9749239	0.39272782	0.18156396	-0.112719394	0.6202629	-0.45208052	0.99447334	-0.14820074	0.1439221	-0.24353762	0.015351553	0.049095303	0.26943758	-0.6005011	0.036198735	0.99789363	-0.05669732	-0.38063943	-0.9837226	-0.27400395	0.25462973	0.18595307	0.02960387	0.31729257	-0.017847996	0.3475994	-0.093002506	0.32389805	-0.7331781	-0.12570271	0.16586125	-0.316845	-0.029420946	-0.97182745	-0.82753444	0.07319732	-0.48876294	-0.120257646	0.47265363	-0.22397953	-0.15319343	0.25862512	-0.86040556	-0.25392598	0.10633601	0.5777756	-0.42477432	-0.018219765	0.8798829	0.6289094	0.0940698	0.37037298	0.026027938	-0.4506892	0.4434868	0.15108706	-0.016572021	-0.2625295	-0.1846739	0.37964335	-0.6292306	0.19944903	0.3889346	0.005992828	0.7360125	0.3838573	-0.1409102	0.46593627	-0.23872598	0.11513234	0.32436723	-0.23775831	0.06679313	-0.33879802	-0.07879463	0.29920608	0.07775398	0.18812276	-0.512332	-0.08120999	0.090521544	0.060053416	0.9999945	-0.25340134	-0.012414675	0.35190445	0.075658426	-0.31576654	-0.049068376	-0.48947248	0.6795621	-0.65805364	0.12329725	-0.5869518	-0.6555829	0.00917299	-0.3065372	0.10103399	0.9195203	-0.34737137	-0.6013242	-0.4235136	0.6853275	-0.18914758	0.48365778	0.7424818	-0.3003041	-0.18759657	-0.21554157	-0.9896699	-0.31496543	0.27290353	0.03372584	-0.31032524	0.07199325	0.40501598	0.36530957	0.09826219	-0.4931984	0.6048645	0.3931922	-0.25591344	0.16333672	0.10143321	0.06945141	0.3787101	-0.878041	0.5657034	-0.013867575	-0.94621176	0.41448277	-0.011402924	0.46843028	0.9207995	0.4048882	0.5130729	0.25143442	0.6129012	-0.088741094	0.9960887	-0.16968763	0.8434698	-0.5659616	0.15132962	-0.5135608	-0.90467507	-0.67991084	-0.33488446	-0.3936744	0.9973686	0.20127971	0.6724515	-0.1509192	0.42843598	0.998766	-0.31531537	0.12870438	0.025956286	0.30543453	0.013816049	0.10361757	0.35805017	0.116960704	-0.13015327	0.9990606	0.36487144	-0.47908032	-0.32937384	-0.034612723	-0.6757119	0.5802516	0.027090404	0.80694044	-0.46632433	0.15396021	-0.3164523	0.8777798	0.06927748	-0.1588542	0.63850087	0.26370183	-0.6194971	-0.6701159	-0.3846773	0.02497069	-0.8409601	-0.40004444	0.19794063	0.21846439	-0.3445098	0.36698887	-0.0962586	0.29774758	-0.3450287	0.07624517	-0.16406669	-0.4633863	-0.50000805	0.19223782	-0.12761012	0.15501787	0.71485335	0.5429558	0.4905909	0.11585394	-0.31821662	0.10138511	0.94733804	-0.9843612	0.14677516	-0.5520162	0.07935318	0.17604864	0.1632231	0.0443587	0.8323704	-0.13324018	0.28417763	0.44350302	-0.006605949	0.46070948	0.14546014	-0.64648426	-0.106211275	-0.12858269	-0.8146197	-0.03624614	-0.1438527	0.5180433	-0.34710324	0.57575935	0.9724284	-0.30456942	0.9999999	0.003889488	0.007682034	-0.29163536	-0.19850142	-0.91514903	-0.33101162	0.18482661	-0.42509425	-0.462703	-0.596546	0.00648539	-0.021679388	-0.14142033	0.7142532	-0.1961568	0.22166419	-0.50644475	0.2077094	-0.5505058	0.14301279	0.022682725	0.8556435	0.8381545	0.62415224	-0.86553913	0.45062953	-0.4637459	-0.45939714	-0.05508108	-0.17421648	-0.29987755	0.037106454	0.265873	-0.2961165	0.39408112	0.4797675	-0.15609352	0.05340035	0.5962335	-0.619008	0.8836452	-0.10516789	-0.99762154	-0.3359537	0.9799548	-0.34864265	-0.025474573	-0.8873182	-0.30321518	0.7943442	0.43441445	0.1930671	-0.6494107	0.3471064	0.06976131	0.7897831	-0.33465555	-0.4819344	-0.20973417	-0.21105352	0.15301245	-0.33394894	-0.9991725	-0.99658406	-0.99114186	-0.113097005	-0.14383925	0.77730894	0.35636556	-0.6054607	-0.7796901	0.49914148	0.22702922	-0.5942635	-0.77275985	-0.6279317	0.13351186	-0.09538796	0.30271694	0.26495793	-0.48672158	-0.9927392	-0.9993227	-0.579263	0.12210926	-0.07720057	-0.13969898	0.17653114	-0.94207937	-0.37095407	-0.82762367	0.18676665	0.20534019	-0.3387217	-0.29786655	0.9158202	0.7105768	0.78773105	0.25223014	0.6994274	0.1883735	-0.86122835	-0.21580471	0.5328104	-0.58624965	0.8236147	-0.7487815	0.037737098	-0.5239545	0.34068638	-0.13264878	-0.6145981	0.07411081	0.518869	-0.16970631	0.1677463	-0.09980027	-0.98310655	0.3147055	0.09384138	0.15138143	0.34723344	0.4011366	0.98369944	-0.010418233	-0.12516697	0.010073516	0.53386927	0.4768259	0.036444604	0.95189136	0.23572424	-0.08863101	-0.48638794	0.6162517	-0.03389489
23	1	CCC(C)N(C)C(=O)c1cc2ccccc2c(-c2ccccc2Cl)n1	-0.9196664	0.25236604	0.65776175	-0.16760774	-0.3101631	-0.7283774	-0.11559238	-0.110737935	0.2978728	-0.738512	-0.8881013	-0.060916085	-0.11624566	-0.64015734	-0.32531455	0.037757903	-0.219202	-0.26926515	-0.08229608	0.41455573	0.032145318	-0.22464937	0.3543672	-0.317646	-0.015583078	0.45878974	0.30186275	0.59747297	-0.069578834	0.05543154	0.3910813	-0.30548748	0.45288235	-0.04825481	0.3572039	0.21833104	-0.43995845	0.4621357	0.99930286	-0.7340861	-0.97493905	0.27408013	0.33655915	-0.5087193	0.22913603	-0.26984566	-0.061733622	0.115488164	0.840608	0.25186524	0.006547365	-0.21982527	-0.73151153	-0.036421344	-0.6513829	-0.03871907	-0.53610975	-0.64589226	-0.093927026	0.22463588	0.12072629	-0.057952013	0.17052211	-0.32548442	0.27866393	0.08422493	-0.17606877	0.3680486	0.5776826	-0.27397418	-0.8490559	-0.17723802	-0.43888032	-0.8288549	0.8301387	-0.39031896	-0.7067656	-0.3519899	0.058486894	-0.99855703	0.2183776	-0.005230047	-0.92984307	0.4494635	0.28746846	-0.96676177	0.28890175	-0.15435009	-0.24458939	0.7180454	0.020262273	-0.4887457	0.2691553	0.066273816	0.9674437	-0.54887015	0.8812094	-0.34588107	-0.4151805	-0.37792265	0.40568203	-0.13642925	0.5740115	0.7300846	-0.9954586	-0.66419446	0.52232677	-0.6619608	0.94775665	-0.76606596	0.54158235	0.044116855	-0.3007887	-0.14818428	0.004897469	0.7506267	0.013597423	0.5034581	0.9714766	-0.5168971	0.24073304	-0.022341153	0.10985492	0.11856608	-0.11497753	0.038236912	0.2960813	0.40502343	0.2393507	0.99997085	0.4255013	-0.1975432	-0.1981469	-0.15159364	-0.22522506	-0.9918993	0.17853987	0.6791432	-0.6721038	-0.82384074	-0.9999851	0.6103163	0.9153491	0.24397168	-0.38340807	0.47016284	0.51133	0.10771391	-0.94918746	-0.5137165	-0.63879967	0.14201117	-0.014115557	0.660385	-0.78271943	-0.49272636	0.28889376	-0.4268932	-0.76362485	-0.8999072	-0.5305902	0.079601176	-0.7447807	0.74356943	-0.16330847	-0.1229718	0.049756628	-0.16140753	-0.75365394	0.7178149	-0.33362904	-0.7485816	0.21835205	0.704572	-0.28360307	-0.9144248	-0.74988854	0.7026129	-0.11602377	0.22777826	0.754877	-0.045370676	0.26166487	-0.21884283	-0.26240128	-0.45743006	0.5538497	-0.61007404	-0.42043608	0.07597731	-0.3444381	-0.40853304	-0.49303064	0.11833195	-0.07218912	-0.5123997	-0.5924461	-0.8722064	0.7125395	0.012682286	0.5614077	0.7563257	0.6205604	-0.22580239	0.7834268	-0.18462978	0.29532453	-0.09749423	0.259223	-0.9998308	0.24320918	-0.24447231	0.2581139	0.3662805	-0.27618304	0.25447363	-0.5106556	0.6069218	-0.33438903	-0.8719124	0.52670914	0.17094757	-0.70478463	-0.15002176	-0.977714	-0.11479586	-0.0241882	-0.2534654	-0.5942873	0.36970142	-0.060143426	0.073502965	0.14868397	-0.2959298	0.7080127	-0.15201072	0.06111081	-0.3276638	-0.44219524	0.27896154	0.84670496	0.32624978	0.6930629	-0.4347331	0.55160075	-0.025587505	-0.47720277	-0.010923234	0.11276075	-0.04668986	0.50905305	-0.75628895	-0.4003279	0.51431376	-0.14922354	-0.026929844	-0.35603437	-0.3498902	0.51663953	-0.010898477	0.48570928	-0.21895975	-0.7690278	-0.5876761	0.347436	0.54166144	-0.52149576	-0.550799	0.95717466	-0.16288586	-0.19192831	0.96712536	-0.034924623	0.4461698	-0.17924944	-0.7099081	-0.4768304	-0.6426499	-0.8349397	0.19533014	0.24303702	0.99448985	0.42208475	-0.041080467	-0.6180998	0.44415042	-0.36428747	0.90772057	0.90611744	-0.36060402	0.23568526	0.7428996	-0.08818858	0.88673824	0.2660989	-0.31509927	0.9999953	-0.9985965	-0.4046138	0.13374436	-0.43503183	0.5349689	-0.66279143	-0.7320081	0.056019913	-0.122545846	-0.98213416	0.5892835	0.5063907	0.53512967	-0.23745872	-0.14878929	-0.46409783	-0.22576734	0.80449563	-0.44137895	-0.44831076	-0.42668185	-0.9999014	0.58464706	-0.15796135	0.35793728	0.41011697	-0.58018196	-0.3978717	0.022620322	0.63146037	-0.9786712	-0.22467336	0.17063932	-0.06648101	-0.5632553	0.50546056	-0.24572073	0.3824304	0.90625024	0.5108376	-0.23132196	0.056222413	0.46416673	0.019088378	0.3624282	0.6974639	0.02990187	-0.69128793	0.47739783	0.14339851	0.2589038	0.45161954	-0.8941556	-0.9339278	0.6003117	0.26179057	-0.13385773	0.81107265	-0.4323029	-0.20734555	0.9995047	-0.28858542	-0.7372617	0.16051067	-0.5553194	-0.6876651	0.12048827	-0.9720184	-0.1367104	0.3049504	-0.47907373	0.026107477	0.025513228	0.08535575	-0.098910324	-0.132251	-0.16720177	-0.47926763	-0.99456257	-0.14946496	0.002482978	-0.115655154	0.46120694	-0.13208418	0.20831071	-0.68984157	0.6388702	0.5185463	-0.024084609	0.10495728	0.2645714	0.5182511	0.60235244	0.38112763	-0.35832408	-0.06134589	-0.2956543	0.3261541	-0.59181595	-0.007221796	-0.89088196	0.5919803	-0.6542935	-0.02481791	0.4411452	-0.120951094	0.20453617	-0.0888506	-0.6234737	-0.82174	-0.5964652	-0.6050017	-0.621506	0.39844823	0.011575895	0.6117154	0.48200458	-0.2957325	0.37410942	0.9999997	0.21345949	-0.9418906	0.62377375	0.9993475	-0.007987161	-0.38163364	-0.9999406	-0.29631028	-0.20947334	0.77138126	-0.19975786	0.35209802	-0.10236069	0.1608084	-0.87004435	-0.44972864	0.013255673	-0.65640867	-0.18792221	0.2726875	0.10596857	-0.99995124	0.9999996	0.082157694	0.6581624	0.012374336	-0.47637302	0.49810648	-0.6172152	-0.81421673	-0.13219115	-0.5808399	0.2769667	-0.8467635	0.25542852	0.052158657	0.17222624	-0.06726584	0.25750127	-0.3183559	0.8599018	-0.99969095	-0.572577	0.1962297	-0.79179907	0.006064981	0.39349425	-0.98921293	-0.003653681	-0.57810694	0.42087552	-0.16854951	0.8072426	0.86199623	0.9900639	0.5519731	0.6194709	0.72413945	0.3044244	-0.5062812	-0.49486086	-0.39101106	-0.10406903	-0.17053536	-0.8043663	0.41703892	-0.37565282	-0.1133313	-0.10582273	0.026049206	-0.31940982	0.20271021	0.79782885	-0.27646405	-0.35003662	-0.39013425	0.99878883	-0.2785902	0.24509712	-0.015338182	-0.6065348	-0.25149336	0.999949	0.41741315	0.3225668	0.71431524	-0.06922323	0.27593452	-0.7096948	-0.993475	-0.296296	0.33364245	0.73991644	0.63691336	-0.40419504
24	0	COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1	0.029457523	0.06619374	-0.086186014	-0.73190224	0.041124236	0.25632802	-0.018202169	-0.16730905	0.5709205	0.07043244	-0.44588023	-0.59464896	-0.29394138	-0.74806184	0.46871737	0.113657735	-0.43124002	0.20808695	0.30938533	-0.03241214	0.46146548	-0.2490198	0.20353255	0.083408125	0.4945277	0.2497096	0.34086543	-0.03513607	-0.10714094	-0.5130294	-0.4269857	-0.5221199	-0.2003273	0.36789945	-0.14455192	-0.836882	-0.38926417	0.6270197	0.99930567	-0.091537915	-0.79649913	-0.59795266	-0.45608968	-0.42228514	0.26840854	-0.1800551	-0.030104857	0.37015876	0.688118	0.7180981	-0.17376548	0.48302114	-0.25890973	0.77024215	-0.73254734	0.12519376	-0.37796387	-0.74732256	-0.18377477	-0.13122901	-0.50493425	0.6632001	-0.010265682	-0.10195856	-0.4616719	0.63181776	0.11705287	0.3220728	-0.2326246	0.5983968	-0.9265678	-0.8137162	0.15064575	-0.72306293	0.64129895	-0.06294141	0.10918691	0.104675665	-0.5823662	-0.9996633	-0.209408	0.15926743	-0.9135982	-0.13802719	0.24423072	-0.890476	0.28660157	0.62973964	-0.2132321	-0.23910448	0.20775379	-0.25545624	0.6758576	0.5482865	0.9987407	-0.07288964	0.26154217	-0.39018664	0.33297005	0.22250612	0.36285025	-0.13518615	-0.33082676	0.6288903	-0.9960869	-0.533754	0.036688726	0.12357397	-0.9142905	-0.002887665	-0.31967688	-0.17740944	-0.09624795	-0.018240463	0.5441438	0.53970927	0.19854285	0.34288114	0.9804968	-0.36733216	-0.16678748	0.14835055	-0.4737843	0.20428474	-0.41750485	0.53227663	0.7954776	0.15898204	0.0653833	0.9997267	-0.027085034	0.15580885	0.37466794	-0.10700088	-0.40434876	-0.97929305	0.6253759	-0.41833037	-0.65266985	-0.54835635	-0.99999803	-0.2609032	0.55593735	0.68062705	-0.37284893	-0.001000798	-0.28378463	0.3219813	-0.92164475	-0.1407982	0.48581025	-0.6676995	0.6257095	0.21261041	0.12769216	0.57400686	0.06158985	-0.47565317	-0.8463036	-0.61580384	-0.6443574	0.20680593	0.05210926	-0.042097267	-0.49266747	-0.16396977	-0.3477041	-0.57117873	0.4171859	0.424065	-0.31746483	-0.3378442	-0.23820707	0.30607545	0.011022526	-0.8588667	-0.40421352	-0.53448385	-0.09396835	0.5569875	-0.079040825	-0.9671061	0.6487992	0.633801	0.2349022	-0.42691404	0.73995304	0.232252	0.4507793	-0.49791464	-0.17552495	-0.48588735	0.55054873	0.4735	-0.52092785	0.29713398	0.05143839	-0.528069	-0.010274541	0.3094363	0.45516273	0.25654224	-0.5087783	0.5948016	0.14861056	0.2871214	0.14958832	0.284712	-0.3443436	-0.99987066	-0.091816336	0.53859186	-0.29011747	0.43399817	-0.3518369	-0.6297223	0.47494268	0.29831403	-0.38466325	0.3277606	-0.3029541	-0.42799103	-0.598351	-0.61589676	0.9921374	0.38956687	-0.15497945	0.21899411	0.575487	-0.36842686	0.5651997	-0.41831788	0.3544641	0.21388692	-0.16364405	-0.5126397	-0.6407894	-0.57913595	-0.37092498	-0.03770905	0.9322884	0.2158742	0.6220822	-0.3859381	0.35204542	-0.02158346	-0.42937663	-0.19709529	-0.09486484	0.035386246	0.4980849	-0.7936528	-0.3169044	-0.44030425	-0.223524	-0.50592947	0.4209131	0.42312834	-0.0344677	0.28103384	-0.50131404	0.61608785	0.41825658	0.16329037	-0.124284424	0.004188029	-0.18561512	0.6740098	0.9304492	0.51187414	0.597855	0.87788624	0.4565241	0.33930477	0.4192288	-0.46872693	-0.04249865	0.2563017	-0.7554459	-0.18109685	0.4512312	0.99485236	-0.36677054	-0.043382544	0.14509496	0.24150719	-0.27870125	0.53083843	0.37013474	-0.20328632	-0.06371947	0.7569821	-0.2464581	0.84682155	0.064283445	-0.1477152	0.9999988	-0.9771761	0.2618207	0.60429776	-0.7309249	-0.3694053	-0.6446947	0.3403795	-0.194207	-0.7554182	-0.97638863	-0.24063905	0.31075606	0.4523226	-0.62320065	-0.24544035	0.51368487	0.27012995	-0.45116115	-0.25289553	-0.21190849	0.4119219	-0.9571132	0.09438518	0.009516436	0.7480201	0.17063025	-0.45606261	-0.33799493	-0.22931328	-0.024758259	-0.96586585	0.32895634	0.4104176	0.5984943	0.6931387	-0.04382969	-0.794175	0.41067794	0.6009968	-0.47720113	-0.5873711	-0.49871674	0.3560356	0.5009229	0.07667916	0.4656576	-0.29110718	-0.38724414	0.2746932	-0.5233891	-0.22836132	-0.1853093	-0.94711673	-0.8969353	-0.20456994	-0.88552475	0.5507928	-0.20659801	-0.49424323	0.08176185	0.9996985	-0.25685006	-0.07446305	-0.21846396	0.50654465	-0.81980914	0.72651875	-0.8994068	-0.35229015	0.41495702	0.23997554	0.46070448	-0.13440375	0.051129647	0.26750463	0.44815853	-0.17536953	0.6723649	-0.9809809	-0.22492681	-0.004465972	-0.1570913	-0.21322478	-0.35200828	-0.09468923	-0.3100287	0.11369231	-0.5556883	0.24027617	0.28244916	-0.07978033	-0.037156895	0.78512627	0.56240964	0.29424232	-0.6882303	0.2407049	0.2888589	-0.12981981	0.35003346	-0.47234175	0.53500897	0.4206311	0.6206479	0.21444668	-0.017383998	0.34678477	-0.34450185	-0.2679345	0.27343756	-0.37929934	-0.6488717	-0.27627602	0.008520224	0.017513791	0.32183045	-0.5694128	-0.30231592	0.56770986	0.99991065	0.2451012	-0.9722516	0.21589652	0.9995613	-0.25411552	-0.13473171	-0.99849916	-0.82622886	-0.33087632	0.19625938	-0.48519668	-0.034370087	-0.073981665	0.079639085	-0.23802663	-0.30859983	-0.32347423	-0.116597354	-0.034063876	-0.317908	-0.008022201	-0.99997866	0.9999994	-0.062029276	-0.3338127	0.23475032	-0.42263222	0.6738681	-0.2333129	-0.84881073	-0.061446913	-0.18827097	0.11177674	-0.6356616	0.33424488	-0.5159745	0.230703	-0.36331078	0.14691812	-0.06850051	0.8276172	-0.9997949	-0.49085268	-0.80677164	-0.091449514	0.20421667	0.032600544	-0.7936404	0.51239467	-0.4477207	0.48610926	-0.21758953	0.22334936	-0.29698378	0.98774225	-0.19150825	0.84553576	-0.59750235	-0.5387068	-0.19849959	-0.37013206	0.36860862	0.3518436	0.48769796	-0.05040087	-0.04193773	0.5615371	0.08359605	-0.45783117	-0.19979204	-0.19517636	-0.050445046	0.6963315	-0.007185841	-0.17799062	0.02350166	0.99694157	-0.22713934	-0.5637579	0.33204287	0.20279182	0.49308217	0.99993634	0.6150797	0.0334749	-0.2649012	-0.019924032	0.1369051	0.07371702	-0.9930307	-0.42456403	0.5957198	0.7650896	0.8105975	0.34838095
25	0	Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	-0.6644965	0.13648798	0.09114708	-0.5504017	-0.6832325	-0.4162943	-0.4432002	0.018805586	0.5668034	-0.024314329	-0.5968495	0.0768277	-0.029512184	-0.3623412	-0.09994246	-0.46533176	-0.39662257	0.24285498	-0.3399751	0.35909098	0.81673324	-0.5010559	0.452532	0.6625176	0.008656156	0.121176444	0.27842784	0.30589756	0.19640194	-0.59729886	0.26492366	0.58820707	-0.10776744	0.22003193	0.11331988	-0.35495383	-0.25717488	0.5843529	0.5899651	-0.8078405	-0.9900156	-0.1709326	-0.10446126	-0.05750492	0.058338497	-0.9952921	0.21385536	0.052315615	0.8785852	-0.42408937	0.20873953	0.22356115	-0.4416398	-0.1032242	-0.894757	-0.2861041	-0.7392088	0.8738159	0.000805218	0.5519896	0.3319644	0.17946008	-0.009009541	0.33427158	0.37857392	0.74004626	0.7552432	0.40385345	0.06691192	0.005812917	-0.20955157	-0.98418176	0.4671753	-0.29654887	0.15077741	0.027559174	0.22069214	-0.56406313	0.17987102	-0.98918307	-0.05005141	-0.45214957	-0.8772126	-0.5997158	0.06961967	0.26545337	-0.05596835	0.3185835	-0.79211324	-0.15861078	-0.5604255	0.26825795	-0.28162163	0.16298856	0.97533274	-0.271961	0.0666036	-0.20274402	0.61618525	-0.46150115	0.77059346	-0.7686201	0.54133964	-0.7486006	0.840966	-0.6938307	-0.28701714	-0.14807779	-0.90244305	0.5789108	-0.05874532	-0.42788005	-0.39989313	0.1204182	0.07942999	-0.40446156	0.5129078	0.23400834	0.99970084	-0.66059554	0.09519606	-0.30111077	-0.08971605	-0.41532397	-0.38447115	-0.29684478	-0.032642316	0.02485552	-0.30421686	0.9979966	-0.36589736	-0.1361067	0.6735195	0.32714587	0.26167667	-0.5042602	0.56667334	0.19737834	-0.5551151	-0.30804834	-0.9972566	0.47571614	0.94318265	0.050368283	-0.13304682	0.12645218	0.2578195	-0.03319959	0.9927627	-0.56637245	-0.19788997	0.12788254	-0.58923703	0.39056045	-0.45104247	-0.6338952	-0.15949124	0.9988465	-0.6963365	-0.32481548	-0.9916477	-0.7355011	0.33722144	-0.028655263	0.48690057	0.66561425	0.27816042	-0.13778034	-0.20128669	0.4501301	-0.75908285	0.2230944	-0.12773201	-0.47760698	0.5451943	-0.92043954	-0.8957268	0.05109912	0.04558103	0.42205006	0.38475794	-0.9839588	-0.033031616	-0.014758121	-0.73978674	-0.2876716	0.440952	0.16785352	-0.49024513	-0.39963037	0.80259264	0.26486355	-0.045257848	-0.29598427	-0.5290301	0.29840136	0.7516543	0.8827124	0.067035675	0.52341235	-0.18351617	0.41216508	-0.6723947	-0.32469192	-0.03632135	-0.6976604	0.38047665	0.17872183	0.40458047	-0.93693405	0.26535854	-0.044207107	0.00414882	-0.36699882	0.16086893	0.4198884	0.645123	-0.29983357	-0.41238087	-0.44264004	0.14766154	-0.5742369	-0.087920174	0.36972064	0.98830366	0.080293044	0.18701276	0.7329649	0.47583926	-0.26492473	-0.26208943	0.20538062	0.5429653	-0.13439664	-0.15655844	-0.3508672	0.029842097	0.057980154	0.11718546	0.26948887	0.6824338	0.40395036	0.4780457	-0.34009397	0.47808832	-0.21694364	-0.068017915	0.25709805	-0.46126026	-0.53260005	-0.36344472	-0.99851626	0.04149707	0.39573458	-0.47343722	0.12153792	0.37787333	0.15231791	0.14344099	-0.17287868	-0.81651115	0.56482756	0.258552	-0.4033585	0.636806	0.29808667	-0.21972103	0.26491582	-0.89411336	0.25328892	0.5140611	-0.38926435	0.6481839	0.37732074	0.08823833	0.9465113	-0.28348577	0.12808108	-0.06511598	0.30571753	0.5152008	0.9994735	-0.02357068	0.72421324	-0.22330475	-0.161724	-0.6073354	-0.18863122	0.06875336	-0.05142298	-0.10473079	0.9995656	0.1643963	0.81403834	-0.28615618	0.4430421	0.99819285	-0.82799715	0.13946421	0.46318775	0.36931208	0.65209067	-0.6781518	0.402315	0.29582697	-0.44156423	0.99504805	0.55316764	-0.6259084	-0.08553482	0.32577676	-0.40696055	0.15270352	-0.6746435	-0.5594655	0.3444254	0.41892666	0.16315092	-0.97770786	0.08552321	-0.11090586	0.3335257	0.37893355	-0.70118713	-0.06328515	-0.38795325	0.58043337	-0.9523288	-0.12588783	-0.1070726	0.08632651	-0.48738998	-0.5706738	0.35830742	-0.07331967	-0.31273553	0.1901899	0.077474706	-0.5488029	0.7503403	0.1439689	-0.46386522	-0.79891014	0.0002046	0.000865154	0.39553672	0.6766186	-0.23050964	-0.055124618	0.88241416	-0.9947054	-0.048244577	0.07135295	-0.39990836	0.23915716	0.58930403	-0.13150574	0.9971683	0.23183578	0.2044449	0.16738561	0.33281195	0.7295627	0.323145	-0.5930972	-0.34408566	0.03338794	-0.07299777	-0.47888464	0.33502078	-0.40941843	0.6631908	0.62500924	0.85028577	0.25427717	1	-0.36104438	-0.63766414	-0.3901943	-0.22714156	-0.878927	-0.18073063	-0.3663855	-0.7387032	-0.016797557	-0.45202368	-0.57688606	-0.6518818	-0.64824957	0.86448425	-0.21939379	-0.2871006	-0.09007538	0.38359666	-0.15822653	-0.5168197	0.39079168	0.6331198	0.8771782	0.28683975	-0.27194047	-0.0146545	-0.3340526	-0.053850006	0.17839879	0.095997706	-0.15190284	0.98141074	-0.4261849	-0.09598304	0.8595339	0.5650576	0.005829657	0.62896913	0.6557215	0.30117047	0.99996656	-0.14971794	-0.99086547	0.3849893	0.9990733	-0.32304114	-0.36669713	-0.9980283	-0.47763485	0.5607987	0.70905447	0.19277519	-0.8135591	-0.5344749	-0.6009432	0.4019046	0.2956547	-0.42238668	-0.24453926	0.045612667	0.4693707	0.0932667	-0.9999701	-0.9995006	-0.99691963	-0.14370432	-0.28910637	-0.39795604	-0.3080567	-0.5984575	-0.8583334	0.08442803	-0.42053375	0.1046373	-0.87202436	0.46754268	-0.2595239	-0.32199192	0.06559502	-0.30012593	-0.058164548	-0.98010427	-0.99994075	-0.0107423	0.32103255	-0.03479472	-0.21921591	0.2331276	-0.6744813	0.37679154	0.08783737	-0.730815	0.3666954	0.18376939	-0.09937127	0.9299606	0.58805466	0.8001497	-0.56336546	0.1640513	0.023264144	0.09690294	-0.33480084	0.2664196	-0.44674549	0.51898634	0.51067203	0.12441247	-0.44819504	0.009600819	-0.32812214	-0.14754224	-0.002413918	0.7209611	-0.11792217	0.34596488	0.45150957	-0.7399788	0.17096247	-0.40333086	-0.6054772	-0.14250311	-0.41145685	0.99939996	0.56978065	-0.631954	-0.24997331	0.5213429	-0.016015014	0.15645573	0.36917725	-0.32931244	-0.25633273	0.39564693	0.49098304	-0.32949996
26	1	c1ccc(C[n+]2cccc3ccccc32)cc1	-0.42578912	-0.30590886	0.61719817	0.016572228	-0.12595724	-0.2694481	-0.36732718	-0.13786636	0.49219012	-0.24992669	-0.66182625	-0.04898504	0.24794959	-0.32097185	-0.66079086	0.61607933	-0.25895005	0.018901555	-0.42397454	0.018395398	-0.6945679	-0.8551358	-0.7141446	0.4433072	-0.012315552	0.006763939	0.017936664	0.08973042	0.7929726	-0.16800104	0.4402434	-0.3530812	0.32379296	0.4637946	-0.012196073	0.33217114	-0.6094911	0.45571238	0.90753174	-0.9177159	-0.9974438	-0.033680633	-0.48441672	-0.4985276	0.33868098	-0.98848283	0.03892323	0.40290773	0.99851614	-0.36401114	-0.33094192	-0.43205768	0.2506652	0.054506637	-0.9691332	0.16298029	-0.6449456	0.7591378	0.005161984	0.13838576	-0.5215168	-0.46567997	0.4728565	0.11819075	-0.30031297	0.13548458	-0.09707535	0.7197649	0.23750767	-0.019848002	0.9255389	-0.8947326	0.4963666	-0.5433509	0.76469153	0.040692393	0.042736746	0.29887754	0.4677086	-0.99912703	-0.28146765	0.35830384	-0.82259756	0.032557204	-0.30981252	-0.7484228	0.1550152	-0.52771765	0.30680355	0.38731173	0.34967092	-0.3244274	-0.009242601	-0.14884354	0.050862215	0.64573497	0.2545039	-0.6487099	0.41432112	0.28104305	0.28101507	-0.014334321	-0.023765348	0.84914714	-0.21040012	0.58064073	-0.4943966	0.017837815	0.996854	-0.7052315	0.05895261	0.62635225	0.02265128	-0.46433768	-0.68905973	0.5764682	-0.021640236	-0.038496334	0.99843395	0.062876634	-0.20154066	-0.12422169	-0.37717557	-0.15887433	-0.017887203	0.33947003	-0.3040706	-0.34029394	0.114174604	0.9998861	0.15748958	0.23079233	0.18458244	-0.32504666	0.35849693	-0.84537953	-0.18903525	0.26023674	-0.762501	-0.23636925	-0.9999385	-0.32503235	0.9942877	0.115274586	0.821974	0.26534757	0.37651074	-0.24809022	0.8577869	0.6253003	-0.78440124	-0.73922694	0.045918163	0.4838727	0.21059093	0.3271702	-0.14103115	0.98637795	0.35430828	-0.9063113	-0.98313046	0.46377435	-0.59710103	0.37569666	0.79231405	-0.096173145	-0.082537025	0.164382	0.3665405	0.6454	-0.4613016	-0.53588676	0.47500256	0.17111255	-0.3462987	-0.93484455	-0.5305282	-0.23900497	-0.10096059	-0.16083458	0.5276948	0.8321416	0.3401404	0.38979182	-0.8987305	-0.7895717	0.038687464	0.26488164	-0.14116763	0.31945315	-0.30156136	0.45796975	-0.24406748	-0.33149332	0.72733426	0.15032755	-0.54590106	-0.61358625	0.8840065	-0.44853422	0.4335582	-0.12585165	-0.43611288	-0.0703312	0.7849488	0.17769861	-0.24552408	-0.5164757	0.048223924	-0.9961936	0.3051231	-0.48981833	0.19721228	0.013982322	0.13196133	-0.44741446	0.03199026	-0.30529082	-0.1265413	0.72254807	-0.46720025	0.61981124	-0.6140447	0.62097204	-0.99633425	0.329314	-0.23214184	0.16110907	0.4705132	0.06663401	-0.03947462	0.2919336	0.4269565	0.21906328	-0.2006277	0.13335049	-0.31698626	0.3384508	-0.32970887	-0.67977667	-0.9742362	-0.71487606	0.2685847	-0.3153463	0.6596121	-0.5428188	0.19772942	0.022074224	0.3543543	0.14189968	0.42696396	-0.73304856	-0.016444432	0.505234	0.41884387	0.14286974	0.19612299	0.6990189	0.009063028	-0.061772387	0.024625015	0.17143735	-0.114461094	-0.24244574	0.21193852	0.04524542	-0.66024363	-0.78520006	0.9442548	0.6947287	0.5602012	0.5194809	0.4142659	0.1797475	-0.18651542	0.81907874	0.5019447	-0.48326096	-0.17668588	0.5171149	-0.49300945	0.9997804	-0.13642327	0.64324737	0.28192112	0.053583845	-0.10170796	0.8003651	0.9687609	0.6566629	0.4476409	0.9977468	-0.21313232	0.044158306	-0.43785897	0.2552283	0.9999854	-0.99306256	0.68252134	-0.42010546	-0.10005619	-0.21125299	-0.46923828	-0.11972283	0.057037402	-0.9016908	0.8482584	-0.16494547	0.5966294	0.17614035	-0.43960947	0.21687096	0.1776151	0.41075084	0.94424874	-0.6246389	0.3411083	-0.5774221	-0.9999927	-0.59721565	0.38985866	0.67105037	0.44001326	-0.24974006	-0.76722765	-0.4813741	0.8487227	-0.91814035	-0.16281427	0.21108142	-0.38369277	-0.46810547	0.091026746	0.069140226	-0.3937418	0.77536994	-0.5157091	0.41569367	-0.53410643	0.072738834	0.016299665	0.30424663	0.26619202	0.13246761	-0.51153004	0.20664413	-0.073326275	-0.014158503	-0.46957716	0.5527488	-0.99684274	0.51852214	-0.4369175	0.2298783	0.5313904	-0.21945176	0.59310406	0.99933654	-0.32168564	-0.35407752	0.19015104	0.25989863	0.44845486	-0.62490064	-0.9311329	-0.06799624	0.3653809	-0.55385816	-0.14494903	-0.68107086	-0.17757048	-0.09633567	0.47390774	0.8706246	-0.0645152	-0.9448673	-0.08778128	-0.4436665	-0.34753478	0.4788794	-0.74298966	-0.16637565	0.20303494	-0.7805552	-0.44734746	-0.3045645	0.12323214	0.23433857	0.4453938	0.618725	0.79507136	-0.3668117	0.49232453	0.4195396	0.021610778	0.2613966	-0.1984873	-0.21975566	0.4317167	-0.39971176	-0.9568703	-0.058062173	0.23415998	0.4623145	-0.038582236	-0.7401737	-0.7483647	-0.32127327	-0.18548867	0.68484694	0.48717204	0.20211074	-0.12126008	0.41146594	-0.5089229	-0.15014233	1	0.52124184	-0.9654027	-0.035843685	0.9996293	-0.5657452	0.24751762	-0.99997693	-0.05932447	-0.20401582	0.2951525	-0.3337688	0.5249722	-0.16471644	0.32649606	-0.03280166	0.08675723	-0.579437	0.049506236	-0.22021659	-0.13268983	0.12986135	-0.9999942	0.9999952	-0.937823	0.020031335	-0.20246719	-0.3415563	-0.42566997	-0.38863346	-0.57252806	0.5897914	0.076010734	-0.6832286	-0.93009984	-0.6300058	0.49397573	-0.2397763	-0.47141585	0.12753446	-0.3597549	-0.88207394	-0.9999682	0.45306414	0.34880424	-0.07544702	-0.46672997	0.2634054	-0.9983804	-0.53969824	-0.55502844	0.31189045	0.01166177	0.32894474	-0.34537444	0.98317575	-0.4775446	0.6835035	-0.013868256	0.5993301	0.41839537	-0.6311406	-0.5937343	0.7184998	-0.41988122	-0.70680827	-0.9309538	-0.462527	0.38506767	0.06099135	-0.16670935	0.12518518	-0.3856642	0.57530224	0.35853484	0.30644402	-0.2318652	0.60701036	0.013263991	-0.17162941	0.042850953	-0.1723716	0.51899624	0.9997173	0.6220261	-0.31637546	-0.17141218	-0.4121517	0.3588125	-0.5222282	-0.6550265	-0.3247461	0.6383964	-0.29562315	0.7031655	0.63370436
27	0	CCCCCCCCCCO	-0.6408422	-0.0514823	-0.070803694	0.4957797	0.18858495	0.2832178	-0.3706049	0.20546708	-0.28179902	-0.088735394	-0.8640561	0.07148953	0.13960357	-0.71127206	0.5626993	0.5198851	0.63129234	-0.2322019	0.40606573	-0.49982905	0.18480273	-0.8460158	-0.23567852	0.29917324	0.50349224	0.16058801	0.15861739	-0.44758847	0.55443597	-0.27780414	-0.029667275	0.8543634	0.60375017	-0.082101725	0.115669236	-0.7676277	0.09558881	0.7811665	-0.86681587	-0.9164053	-0.98768955	0.03476303	0.126594	-0.3385911	-0.22523062	-0.99215174	0.3249426	-0.17934452	0.9673754	0.19277038	0.7022362	-0.037476838	-0.06629441	0.30122447	-0.94710046	-0.21229175	0.9652987	0.987535	-0.048122387	0.08694928	-0.57583725	0.18923871	-0.07761391	0.55933505	0.53955626	0.14090353	-0.403223	0.59178036	-0.04095904	-0.3495744	0.8468505	-0.9049838	-0.25773066	0.84217083	0.6371043	0.65781534	-0.08943591	0.27092302	0.25607485	-0.9989691	-0.3401886	0.41260737	-0.51634055	-0.49232164	0.7041405	-0.000504658	-0.0955229	0.58451295	0.13551599	-0.40130645	-0.15937687	-0.21765785	0.28468782	0.03340159	0.5590691	-0.16461034	0.5303999	0.26004645	0.419969	-0.76317257	0.5667106	-0.3752344	0.25722528	-0.043776706	0.9884841	0.7425786	0.5164382	-0.027422763	-0.49390343	0.17031653	0.1824614	-0.111631446	0.67424285	0.6023779	0.00080267	0.36594313	0.334722	0.09731569	0.9934215	0.5221571	0.16801037	0.35781273	-0.005696808	-0.18071224	-0.3086727	0.009681731	0.004164586	0.061886374	0.19924478	0.9998846	0.15765928	0.49825534	-0.15330842	0.34208417	-0.341825	0.08118268	-0.2871648	0.35017788	0.0659578	0.41367313	0.9993481	-0.17670637	0.99398905	0.10580953	-0.45352134	0.26572365	0.49216503	-0.2651123	0.9968711	0.4850732	-0.084277704	-0.7763418	0.599672	0.32470158	-0.23910227	-0.12738363	0.059167035	0.9985747	0.07715423	-0.7655064	-0.97938657	-0.4098673	0.62982136	0.37651518	0.23257773	-0.2966675	-0.66570634	-0.54247946	-0.11634556	0.1414689	-0.105416924	0.05214985	-0.42878157	-0.04735015	-0.23291016	-0.98128456	-0.42179126	0.24185598	-0.50570935	-0.51816344	-0.25526088	0.6035192	0.34645626	0.35620373	-0.9703592	0.30580768	0.12712763	0.41459733	-0.77053255	0.75016075	-0.64591646	0.53844804	-0.25875127	0.31056783	0.3666897	-0.54738015	0.2595198	-0.525525	0.21186176	0.35369518	-0.31149617	-0.5793736	-0.15050071	0.3158343	0.01188583	0.08279108	-0.40116256	-0.45786655	-0.15660495	-0.2960665	-0.028874233	0.2696647	0.4898887	-0.80176955	0.34429562	-0.33892143	-0.7242451	0.3466948	0.3456491	0.1249568	-0.49199238	0.018902417	-0.31294033	0.11657052	0.9946805	0.018651485	0.15222432	-0.59906524	0.007402182	-0.230611	0.3055539	-0.524444	0.4704056	0.07665999	0.24080852	-0.20827071	-0.09704778	-0.1743809	-0.11572358	0.002676404	0.8997154	0.06731886	-0.40968442	-0.31189844	-0.6831414	-0.44442523	0.01817651	-0.18843909	0.10310212	0.25001583	0.072338335	-0.9995657	-0.14966415	0.32175514	0.11747924	0.5516255	-0.24578474	-0.21677074	0.062269684	-0.46743232	-0.7037129	0.782286	-0.40023237	-0.5592989	-0.26866376	0.29307166	0.4339396	-0.60444033	-0.55839646	-0.28694642	-0.57961464	-0.956453	-0.4568113	0.12548126	0.0695849	0.15821178	0.48594943	-0.24137801	-0.12566848	0.8521656	-0.46396455	0.998013	-0.5058928	0.82502204	-0.5522454	0.60141885	0.089418255	0.36974135	0.60156333	0.38407123	0.080805354	0.99854153	0.047394168	0.44782403	-0.05542493	0.6251516	-0.99337995	-0.9903309	-0.3308758	-0.067970686	-0.32858434	-0.21768154	0.29955897	0.53214353	-0.09510712	-0.8313083	0.99737495	0.37201408	-0.32163006	0.09583177	0.27957493	0.36844	0.37244552	0.12470687	0.94915384	0.14929745	-0.20305505	-0.59568644	-0.9923798	-0.3488249	-0.19136943	0.498156	-0.0334559	-0.921586	-0.060087383	-0.65043336	0.25760064	-0.9631903	0.34769532	0.30680025	-0.1417414	0.31154382	0.18840063	-0.14564607	0.35961273	0.8607479	-0.24022527	-0.33797055	0.49469706	-0.36787364	0.54436266	0.39161098	0.3154509	0.84204674	0.12696746	0.077131964	0.27743807	0.036296863	0.48449153	0.96999604	-0.99452823	0.08859574	-0.23237172	-0.46217224	0.09354982	0.47869328	0.20642337	0.99058807	-0.65170527	-0.41519493	0.14256781	-0.2722323	0.4657024	-0.14706534	-0.44555005	0.037106115	-0.56798166	-0.89751565	-0.14469521	0.024122667	-0.3184607	-0.6181074	-0.8366097	0.95447654	-0.18605372	1	-0.08746174	0.08829683	-0.16261846	-0.21349975	-0.73877645	0.07684011	0.68721807	0.35648197	0.42423883	-0.65470284	-0.23869768	0.22797786	-0.60265726	-0.15650752	-0.41995174	-0.19875647	-0.55229264	-0.6445343	-0.07284448	-0.8504783	0.442191	0.016106138	-0.2881014	0.10038936	-0.964008	0.12536417	-0.7730578	-0.262078	0.06632496	-0.39794067	-0.16722506	-0.49517035	-0.18932357	0.3179768	0.7092269	0.045659978	-0.14830516	-0.09530481	0.6435082	-0.66374767	0.9999363	0.41520056	-0.7917527	-0.0662326	0.97402114	-0.1006409	-0.03923158	-0.9986596	-0.24983211	-0.25437164	-0.68418074	0.37851185	-0.29341766	0.35450986	0.278555	-0.69712365	-0.23654434	-0.2957029	-0.12837002	-0.33095294	-0.20189029	-0.026748888	-0.9989679	-1	-0.98455817	0.31427866	0.013572876	0.6429935	0.47630903	-0.3563698	0.80496603	0.34195507	0.78187186	-0.16944627	-0.26222572	-0.18026185	-0.17638983	-0.16205363	0.32754615	0.19220978	-0.30185765	-0.9891947	-0.99898624	-0.7418856	-0.73431456	0.5284064	0.3218238	-0.06426008	-0.9957113	-0.51521087	-0.62873054	-0.25502583	-0.34117317	-0.059458807	0.25398296	-0.83153325	0.46233335	-0.2721809	0.5650288	0.8396733	0.17634423	-0.81262046	0.22544986	-0.13682204	-0.4175749	0.29489094	-0.5100617	0.4614599	-0.18191877	0.55904084	-0.49933463	-0.38066426	0.09848396	-0.9047092	-0.25133476	0.26998663	-0.27054816	-0.9706595	0.3631539	-0.51178503	-0.045187693	0.25041294	0.37211227	0.9993363	-0.206076	-0.3456555	0.27393124	0.3804676	-0.5005869	-0.04023523	0.725981	0.04722899	0.12272768	-0.38588893	0.8156579	-0.08017937
28	0	CCCCCCCCCCCCO	-0.6304372	-0.08019493	-0.07777983	0.6321212	0.13099083	0.55569416	-0.3896498	0.3984733	0.036804806	0.020664897	-0.849657	0.172742	0.3707719	-0.6289581	0.45528105	0.62214273	0.44404224	-0.43912795	0.30675358	-0.28478125	0.22906674	-0.7854505	-0.050492782	0.3480802	0.6887355	0.12291858	-0.039245155	-0.44501832	0.6616058	-0.279395	0.12307723	0.80349714	0.6341993	0.053688537	-0.06027842	-0.55350745	0.3000567	0.8701667	-0.48696175	-0.9409442	-0.98084015	-0.21067227	-0.048428807	-0.13648623	-0.05531601	-0.9922919	0.5832018	-0.3748768	0.97268534	-0.21608014	0.8136354	0.04768929	-0.10753127	0.029625937	-0.95289797	0.012105782	0.9610301	0.98526484	0.06434942	0.25339898	-0.5340638	0.032014243	-0.07446156	0.46835825	0.48592713	0.33010498	-0.46129394	0.39274672	0.3787983	-0.27357233	0.8190062	-0.75571835	-0.1617194	0.84363806	0.77499545	0.6414174	0.24668373	0.42563754	0.39627135	-0.9992204	-0.31259224	0.18588369	-0.41680494	-0.42492092	0.71573627	-0.49995416	-0.47453907	0.59640586	0.052136905	-0.55833256	-0.3499745	-0.3324505	0.4146497	0.031062577	0.66110563	-0.32131398	0.6958654	0.18091536	0.03477056	-0.76492673	0.3309129	-0.10462774	-0.039006718	0.40147957	0.9595576	0.7787807	0.49892375	0.07489929	-0.6163443	0.2589426	0.16611102	-0.06442183	0.7633169	0.5735675	-0.22444384	0.3325271	0.2912445	0.14076166	0.99454254	0.7320155	0.3484767	0.31334487	0.057761304	0.006864664	-0.22721864	-0.019365594	-0.054164775	0.3382808	0.2561128	0.99995154	0.44339186	0.773923	0.08978724	0.13630153	-0.15016681	0.05227569	-0.15001759	0.33634344	0.3290131	0.24506128	0.9994354	-0.016380984	0.9952736	0.120504715	-0.55138904	0.19832602	0.5341751	-0.2946102	0.9934623	0.4389592	-0.40719897	-0.849691	0.69811994	0.4783879	-0.35624203	-0.10612885	0.15498471	0.99810517	-0.105612025	-0.71475065	-0.977149	-0.67164975	0.57447624	0.2961125	0.2731838	-0.2571372	-0.66280353	-0.4480737	-0.15130177	0.11493635	0.011571448	0.07363561	-0.24540046	-0.082865044	-0.18427035	-0.98393404	-0.35140482	0.425081	-0.48975936	-0.19239081	-0.116676316	0.6943274	0.21180154	0.5810593	-0.9677011	0.19710965	0.2208079	0.5352283	-0.7071552	0.8352225	-0.7255952	0.56097096	-0.14412874	0.33893487	-0.03627636	-0.5348271	0.007067023	-0.5567823	0.6014998	0.6733189	0.06099881	-0.66071784	-0.3137169	-0.045742344	0.10004162	0.022540962	-0.42264223	-0.57219285	-0.32373235	-0.91948855	-0.3031861	0.2725553	0.22678933	-0.7124601	0.18830398	-0.3187604	-0.7044528	0.35274753	0.12026423	-0.012607629	-0.16902173	0.41597277	-0.44674104	0.35425377	0.9950242	0.37561336	0.091003284	-0.45067626	0.09295894	0.31729516	-0.0494453	-0.084987946	0.34463835	0.06586869	0.20992836	-0.4683776	-0.23244157	-0.47841647	0.38394707	0.36210343	0.8972379	0.15854937	-0.45703483	-0.24749507	-0.81665313	-0.456953	0.034768313	-0.23267356	-0.07399255	0.14691605	0.0892858	-0.99971336	-0.13565677	0.39262095	-0.12463134	0.548899	-0.5009722	-0.013977677	0.2165623	-0.5077877	-0.610267	0.6517707	-0.27215266	-0.6376264	0.046209473	0.53683954	0.367307	-0.7513417	-0.43040058	-0.49062058	-0.5962568	-0.89282054	-0.5585538	0.30697504	-0.24818966	-0.06983944	0.54910535	-0.28625992	0.10219825	0.77533215	-0.24579777	0.9986264	-0.41464138	0.8811241	-0.49635842	0.5232124	0.17118037	0.6285556	0.5819376	0.34174576	-0.22760184	0.9987166	0.24592601	0.2135981	0.27135032	0.707251	-0.99242514	-0.99690944	-0.43893346	0.04787811	-0.030009452	-0.5381594	0.008607218	0.44694352	-0.21111761	-0.9161391	0.9923902	0.6486178	-0.19834809	0.17425825	-0.18179451	0.2747095	0.19449638	-0.08110216	0.9570647	0.35537916	-0.5845098	-0.5809949	-0.9916709	-0.39811695	0.009570972	0.6276618	-0.010354692	-0.93348783	-0.23906623	-0.65090585	0.38508862	-0.96748513	0.39532772	0.47618437	0.14737712	0.49047247	0.38861138	-0.35498798	-0.04170638	0.931569	-0.1876568	-0.36383533	0.63777727	0.014074151	0.42773888	0.4039632	0.24674806	0.8028668	-0.011071757	-0.061274305	0.18796314	0.10415554	0.5077169	0.95609075	-0.9963322	0.12932879	-0.33055273	-0.3107271	0.06328606	0.5734155	-0.20640273	0.9981217	-0.5728612	-0.31553808	-0.23793763	-0.47481745	0.4008512	0.05177849	-0.58897054	-0.080403514	-0.68111473	-0.8739726	-0.41974303	-0.15700501	-0.322334	-0.6627714	-0.86807185	0.9322279	-0.534562	1	-0.22769034	-0.09262091	-0.0752579	-0.2316659	-0.6434704	-0.12834823	0.77873737	0.24570057	0.49367765	-0.5204269	-0.12840308	-0.34139913	-0.6146263	-0.32043868	-0.40532228	-0.06796618	-0.541959	-0.5873144	0.1381809	-0.932946	0.6127126	-0.10931938	-0.561504	-0.10202895	-0.9612256	-0.08386184	-0.6139222	0.18797827	-0.004457946	-0.6566305	-0.19700693	-0.6785852	-0.22628431	0.22424956	0.59638274	0.027976986	-0.14167175	-0.102456175	0.5345225	-0.58059263	0.99994725	0.32485098	-0.8668822	0.06388501	0.99245286	-0.019910488	-0.36054873	-0.99902034	-0.17492975	-0.48868158	-0.7569659	0.55873126	-0.022966186	0.5824755	0.48216516	-0.8497427	-0.094254315	-0.5014123	-0.5255836	-0.32500342	-0.047952473	-0.048568558	-0.99937385	-1	-0.9759824	0.2365418	-0.10006384	0.72849995	0.25234804	-0.4144604	0.9031529	0.1268479	0.63144964	-0.012534478	-0.07457599	-0.5388017	-0.27660412	-0.025180802	0.38414598	0.08960691	0.027122099	-0.97822726	-0.99918383	-0.74828935	-0.74882776	0.4477661	0.0989384	-0.2832609	-0.99739987	-0.36719996	-0.7680494	-0.24939945	-0.40890574	0.22916782	0.2782836	-0.7887844	0.30622184	-0.5939563	0.65512246	0.74394584	0.040744863	-0.8076843	0.3473687	-0.2014735	-0.6351874	0.13248242	-0.78909296	0.6792083	-0.226755	0.46459618	-0.28312847	-0.46813023	0.43190777	-0.85652894	-0.2307986	0.46655634	-0.508788	-0.8846673	0.17091751	-0.6264712	0.18670662	0.31022644	0.2527204	0.9996303	0.16732283	-0.24352685	0.5367429	0.60712993	-0.35869387	-0.4253973	0.106723785	-0.01898845	0.25431865	-0.43920574	0.8140866	0.2329133
29	1	CCCCCCCCCCCCN1CCCC1=O	-0.45087367	0.351688	0.12756194	0.21022978	-0.36054808	-0.14521165	-0.278189	0.14956431	0.53510046	0.42439705	-0.74629164	-0.31759483	0.14255446	-0.58527863	0.46499723	0.6894793	0.5986232	-0.5739364	0.17320412	-0.5726503	-0.023728577	-0.6103166	-0.54934543	0.261141	0.76259714	0.34445646	-0.36275697	-0.38460296	0.29862794	-0.6475074	0.013668165	0.56778127	0.68185824	-0.3502011	-0.11960842	-0.4821027	0.6333564	0.54891396	0.87797976	-0.722403	-0.9900075	-0.36218676	-0.45267418	0.50478715	-0.4363399	-0.9690555	0.49730033	-0.595726	0.95691943	-0.04624452	0.66258776	0.34184197	0.09747882	-0.554064	-0.80477715	0.017486978	0.9270427	0.9234154	-0.24729194	-0.14256096	-0.048359115	0.3477377	-0.64917904	0.6002251	-0.2729362	0.5123199	-0.63607156	0.17702478	0.6822348	-0.07033377	0.009863395	-0.5286475	-0.31933004	0.8232315	0.7720179	0.22370133	0.11135162	0.07449279	0.3817079	-0.9998937	0.007627719	0.4693105	-0.5288382	0.0654858	0.690607	-0.89009607	-0.41343132	0.60469633	0.044606164	-0.14316769	-0.4860263	0.12698041	0.41892236	0.30507293	0.9700124	-0.7063688	0.76231617	0.18785986	-0.36856735	-0.3460713	0.17284063	-0.05431831	0.2917406	0.97589105	-0.0730237	0.7919971	0.17805101	0.14808097	0.9776709	0.19035527	0.12573308	0.48011017	0.6388455	-0.16791913	-0.02929816	0.09000146	-0.16111693	0.2090098	0.9938581	0.5927082	0.017330643	0.26985502	0.14083835	-0.24607398	-0.5659512	-0.25992918	0.23588555	0.30413172	0.43554065	0.99995095	0.2167359	0.67426574	-0.5189313	-0.46306095	-0.035299547	-0.9549717	-0.41064352	0.27381444	0.21129861	-0.6874929	-0.9846691	0.24872938	0.98194337	0.74840194	-0.49333835	0.22129908	0.5956995	0.17922442	0.8384688	0.23345236	-0.6342912	-0.7195972	0.61278856	0.42171493	-0.067742	0.4538962	0.07323204	0.9814156	0.40787452	-0.90677476	-0.93731165	-0.66942513	0.49701664	0.10319187	0.4845318	-0.5428806	-0.6523557	-0.42090952	-0.028444685	0.18680538	0.46015972	0.32980305	-0.66802067	-0.31883764	-0.2838475	-0.98415136	0.6232156	0.6328087	-0.10510462	0.11461772	0.20688939	0.13732648	0.36183733	0.5074021	-0.883982	0.10011064	0.15237352	0.436135	-0.7283913	0.92366815	-0.934844	0.11314183	-0.39191926	0.7360846	0.17702232	0.01666321	0.047821745	-0.85217017	0.6931635	0.67811847	-0.026629908	-0.28692836	-0.0000563	0.019009225	0.050729185	0.22823554	-0.38881558	-0.65815645	-0.19530967	-0.9983219	0.061370198	0.75784564	-0.2570175	-0.8864225	0.4646592	0.06989957	-0.0941737	0.05816278	0.31135538	0.51655024	0.110354856	0.033185393	-0.75351715	-0.09328211	-0.927191	0.65931857	0.40743127	0.12854561	-0.2607766	-0.36122084	-0.40303835	0.3779049	0.12239766	-0.10938296	0.37344605	-0.21494915	-0.017015379	-0.76286525	0.08282853	-0.11306823	0.8314775	-0.27826396	-0.29631707	0.3740625	-0.83246624	-0.032144465	-0.075559966	-0.10862879	0.17579716	0.5593071	0.35887212	-0.99752754	0.032130014	0.3889469	-0.07812444	0.61409193	-0.4901073	0.43217316	0.21152161	-0.12528467	-0.35596552	0.59287214	-0.71213394	-0.5861746	0.5811017	0.11757697	0.6582413	-0.75179225	0.4696851	-0.46185908	-0.4697064	0.04572886	-0.65921	0.482116	-0.3241217	-0.15170299	0.41753653	-0.64469326	-0.42858106	0.64530253	-0.2656986	0.99898297	-0.83784944	0.5482752	-0.6082257	0.32813725	0.83791685	0.9560507	0.95151	0.60609573	-0.47373554	0.996768	0.15400454	-0.6896875	-0.041140635	0.64604694	0.99782336	-0.99738294	-0.3568165	-0.012996574	0.11692113	-0.58753526	0.4200678	0.29688936	-0.4750941	-0.8689877	0.5390828	0.6113655	0.46783638	0.21923928	-0.47898358	0.4458224	0.15567626	0.29453683	0.8437436	0.36513668	0.556669	-0.31948873	-0.99995565	-0.16926089	-0.45797935	0.45726126	0.46759823	-0.72361296	0.39747006	-0.43806306	0.10660321	-0.9405308	0.009470617	0.1764955	0.13798651	0.19122824	-0.22565015	-0.79806614	-0.50294715	0.9121891	-0.4666819	0.44208106	0.8396076	-0.016317712	-0.024629585	-0.30799478	0.38618618	0.7015611	0.31457362	-0.24093722	-0.15303919	0.5311456	-0.4281772	0.6453772	-0.9941119	0.7297088	-0.25233567	-0.29989696	-0.04450514	0.5638722	-0.27260166	0.9994602	-0.54460096	-0.3803599	-0.5638468	-0.5875733	0.21782143	-0.07242021	-0.24194412	0.082712114	-0.2898104	-0.82006675	-0.7036897	-0.23485039	-0.21522038	-0.5942575	-0.9398243	0.67669874	-0.61229056	1	-0.40409535	0.039048184	0.13921963	-0.20440684	0.26646787	-0.30167744	0.93468416	0.2919854	0.24833524	-0.55239487	0.43839228	-0.11962211	-0.60041326	-0.78784233	-0.3773755	-0.40496132	-0.27583006	-0.39460197	-0.3802246	-0.9435829	0.47773233	-0.63153034	-0.9225116	-0.5376619	-0.74895203	-0.17823043	-0.43085456	-0.033034828	-0.11227158	-0.5690796	-0.3375694	-0.63184834	0.03066634	0.36860058	0.517043	-0.7698787	-0.10853926	-0.07675589	-0.2041518	0.14232576	0.9999999	0.30805898	-0.80138165	0.14135872	0.99719805	0.2971959	0.016302325	-0.99995726	-0.24910186	-0.79239535	-0.5755172	-0.023540718	0.27348104	0.44057706	0.4765929	-0.8151843	0.49096915	-0.5123681	0.03221217	-0.15643923	-0.31768197	-0.46413067	-0.99982655	-0.99783754	-0.8083765	0.23271777	-0.053527705	0.6139041	0.008217718	-0.046088886	0.9347116	0.13737436	0.18456018	-0.18347973	0.36361217	-0.2917346	0.051721144	0.23053312	-0.2611415	-0.5142824	0.10828203	-0.81125504	-0.99947923	-0.6606849	-0.67062473	0.5935532	0.47066846	-0.19166504	-0.99458015	-0.3718744	-0.022897128	-0.53589153	-0.5449775	0.6965954	0.09001401	0.2944448	-0.3008659	-0.8850983	0.7039501	0.39454424	0.34450194	-0.5827217	0.3242168	-0.46292445	-0.09014946	-0.46332526	-0.7539509	0.75978047	0.3556483	0.47416514	-0.24993646	-0.32170662	0.28190246	-0.96166354	0.023027783	0.43061456	-0.49457675	0.7377778	0.41850266	-0.4119562	-0.18685336	-0.25966066	-0.14346439	0.99995446	0.72023827	-0.08226821	0.52159005	0.4190991	-0.34418628	-0.18982108	-0.95075	0.45198074	0.6237493	-0.13452025	0.6946377	0.32447484
30	1	Oc1ccc2ccc3cccc4ccc1c2c34	-0.5401665	0.19734351	0.59886765	0.5530693	0.26278675	-0.6721235	-0.095224895	-0.28444642	0.7147142	0.3731214	-0.79033023	0.5615652	0.004189625	-0.4912679	0.05960271	0.9255019	0.20636763	-0.35947213	0.54026973	-0.008738992	0.42715663	-0.8172994	-0.8563532	0.512481	0.18430795	0.37807056	0.2225824	0.2174483	0.30170003	-0.26406664	0.46859866	-0.04518285	0.27762696	-0.53467655	-0.43014985	0.033883702	0.55269814	0.43398303	0.9851211	-0.9484242	-0.9250049	0.0756692	-0.11786001	-0.55720156	0.5651058	-0.9666829	0.12589814	-0.2438312	0.9682429	-0.4583157	0.48754805	0.38864952	0.27364185	-0.3261926	-0.9660285	-0.2083673	-0.6570598	0.7576075	-0.16009268	0.14719222	-0.6239241	-0.001728466	0.8663121	-0.14851917	0.123506576	-0.3590713	-0.6587308	0.2561331	0.11554054	-0.2683071	0.9173994	-0.35754228	0.14703944	-0.81797934	0.8410423	-0.43803325	-0.62172294	-0.27908176	0.04300704	-0.99625236	-0.7158016	0.37853807	-0.8699959	0.36466303	-0.2930084	-0.8107225	0.369328	-0.59531736	-0.05674677	0.35135844	0.28246206	-0.42990747	0.5809036	0.20062591	0.17663369	-0.14595965	0.74390656	-0.18628229	-0.035844598	0.7476178	0.8059457	-0.44114405	0.49506885	-0.12795818	-0.655037	0.574989	-0.090151064	-0.16050032	-0.726496	0.18479782	-0.37699407	0.095423795	0.17425607	-0.1467307	0.047297403	0.04896368	-0.4729258	0.000658311	0.99765015	-0.081511356	-0.005443734	-0.6986699	-0.57225513	0.38080776	-0.2154115	-0.18092819	0.04108385	0.56442344	0.08123767	0.99983203	-0.33725846	0.5528591	0.45862082	-0.49513158	0.33455545	-0.29754627	0.9283566	0.66479653	-0.18986028	-0.023312973	-0.9993979	0.29478106	0.992331	0.1261551	0.5205063	0.17763647	-0.077298425	0.12023241	0.36454803	0.117238775	-0.12472116	-0.5842963	-0.025284313	0.13074636	0.48193866	-0.21260817	-0.78471535	0.9495683	-0.22515632	-0.3153418	-0.96791756	0.16288011	-0.033725973	0.014235725	0.4603112	-0.27135906	-0.21401075	-0.2559364	0.29130623	0.11846395	-0.86647826	-0.43957055	0.7875133	-0.33361855	-0.09006295	-0.91902363	-0.8868056	0.37261707	-0.27	0.05342694	-0.10136545	0.5125855	0.7266821	-0.28774226	-0.59784436	-0.7977699	-0.5001145	-0.008653821	-0.45373094	0.40260425	0.8585785	0.18898642	-0.5220427	-0.083549984	0.13967478	0.19578312	-0.11531653	-0.45707062	0.8757148	-0.28604677	-0.06277658	0.8197501	-0.35744452	0.7060633	0.2778438	0.3326009	-0.21795224	-0.63132	0.09540216	-0.99922526	-0.092741854	0.057955157	-0.6276619	-0.040181194	-0.2871189	-0.24330625	-0.14270562	-0.03750127	-0.22822621	0.41983247	-0.3018185	0.39317897	-0.803608	0.17526317	0.84511364	-0.21103701	0.114625506	0.68135893	-0.44736278	0.38556087	0.22502925	-0.66880035	0.031348266	-0.58325565	-0.35731158	-0.34855643	-0.45651278	-0.22705904	-0.65058523	-0.13803552	0.78330964	-0.25094858	0.6639868	-0.4849149	0.76132953	0.387652	0.20611045	0.664639	-0.24706846	-0.121349886	-0.5796032	-0.07043592	-0.1980547	0.4684137	-0.17833067	-0.57687604	0.1300942	-0.1315175	-0.028625725	0.5569724	-0.53373474	-0.19894187	-0.40324742	-0.7007578	0.3117372	0.04934998	-0.6731283	-0.77899706	-0.08168608	0.43012714	0.667581	0.93772954	0.37964138	-0.3121962	-0.5809764	0.808958	0.4931713	0.48459327	-0.3161867	0.16838068	-0.14629582	0.99926716	0.09405984	0.68729925	-0.05105904	0.011417842	-0.63192904	0.50530326	0.6113575	0.11266833	-0.15064666	0.9945243	-0.24127543	0.4397136	-0.3168236	0.37083748	0.9999792	-0.9971968	0.13608947	-0.068276264	-0.10238184	0.32297334	-0.21662651	-0.32612312	-0.23246162	-0.9861714	0.6008893	0.55412656	-0.81687856	0.14115152	-0.306863	-0.31559494	0.11284227	0.2462586	0.92668504	0.09240785	0.23852447	-0.62058413	-0.9702809	-0.45315978	0.6024373	0.4010366	0.41148576	-0.27498037	-0.4554777	0.005007355	0.4962578	-0.96289194	0.15153144	0.72366774	-0.037319094	-0.34883094	0.73588234	-0.40151852	-0.46537298	0.90092015	-0.33831903	-0.36098215	-0.6503149	-0.28573185	-0.17036802	0.09728209	0.048894227	-0.033232942	-0.5760665	0.20219284	0.069562204	-0.59054863	-0.22515604	0.34447917	-0.9932412	0.57534283	-0.71007395	0.3317198	0.6217534	0.2678267	0.2211115	0.99927455	-0.091639824	-0.08729765	0.5780574	-0.5700906	0.43355542	0.026817072	-0.9769949	0.10113184	-0.34928462	0.00581687	0.28396112	0.14820905	-0.4048811	-0.15403956	0.75285983	0.9107367	-0.7079267	-0.99999887	0.18113399	-0.08287807	0.06385272	0.3435628	-0.87170273	0.18628938	-0.41414797	-0.60595906	-0.6806367	-0.51399	-0.008926057	-0.19211426	0.43710038	0.9061034	0.18833011	0.24996899	-0.22938573	-0.16151264	0.060360752	-0.016667072	0.5942182	-0.26298735	0.89632064	-0.28781167	-0.9364951	-0.05616678	0.16116367	0.18028297	0.334171	-0.8185183	-0.65303975	-0.6362438	-0.4761854	0.5267095	0.29705015	0.30812415	0.2646135	-0.2379398	0.123968616	-0.42408592	0.9999344	0.39833692	-0.9886671	0.40761098	0.9991297	-0.4422122	-0.5208952	-0.9987145	-0.09858158	0.63083124	0.7462582	-0.13663854	-0.6987616	0.47868747	-0.5098832	-0.6932809	-0.1157716	0.4077419	-0.5124883	0.031556834	-0.3577869	-0.35159788	-0.9999816	1	-0.96425086	0.4080831	-0.14870891	0.61503226	-0.20393126	-0.43270084	-0.8212381	0.76414984	-0.47631067	-0.7847884	-0.89492637	-0.7401352	-0.19851555	-0.29232395	-0.034808997	0.27959758	-0.23290104	-0.71223265	-0.9999186	-0.6656256	0.28841949	0.08411388	-0.084055886	-0.4534662	-0.9963146	-0.25715336	-0.8280203	-0.032159552	0.41786626	0.38336036	-0.31992906	0.9599973	-0.006095766	-0.44055977	-0.14424726	0.37313607	0.64262336	-0.6932725	-0.3088602	0.767679	-0.5449688	-0.63422495	-0.9427569	0.01042858	-0.2567861	0.013166004	0.44454825	-0.5926335	0.35019258	0.71101266	-0.29690513	-0.08399726	0.27198157	0.8719955	0.5092006	-0.015118565	0.23860256	0.5961741	0.08871478	0.9977314	0.80071485	-0.16806243	0.2096376	-0.07585138	-0.6425586	-0.096786186	-0.93031067	0.3272347	0.117450096	0.16300072	0.3389145	0.23724768
31	0	Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1	-0.24319205	0.065487884	0.13786569	0.5013703	0.20675415	-0.54335636	0.2497237	-0.26039103	0.27040434	-0.6276575	-0.47738418	0.19979447	-0.0711463	0.14246424	-0.19125623	-0.02523688	-0.34605822	0.074165456	-0.6444711	-0.36386734	-0.085919	-0.33364174	0.4283248	0.2032924	-0.037330363	0.46972454	0.67801356	0.28132012	0.6838778	-0.001401697	-0.005083631	-0.41491348	0.047652904	0.12573102	-0.08095614	0.48566902	-0.31536782	0.0681781	0.9979843	-0.7780029	-0.8827421	-0.20751718	-0.34985116	-0.17911887	-0.23478235	-0.5109588	0.27178076	0.44884732	0.95099235	0.102911055	0.20706192	0.5536845	-0.11080713	-0.31510633	-0.7828547	0.4643905	-0.62163365	-0.6119343	-0.7787226	0.026762301	-0.5605517	-0.01831079	0.7727604	-0.47440496	0.049631543	-0.05042478	-0.15747143	0.27922657	-0.15647477	0.48620138	0.14903829	-0.47751534	0.50389624	-0.7975564	0.78901315	-0.36375576	0.52490497	-0.061517153	0.464978	-0.99799263	-0.002165098	-0.046609882	-0.8928969	-0.713185	-0.4442599	-0.9468331	-0.4794745	0.3814703	-0.43265212	0.2682652	-0.23918001	-0.13615315	0.27833277	0.582525	0.8959029	0.09400185	0.78366476	-0.073877476	-0.15848905	0.2840558	-0.17707458	-0.027619973	-0.29233527	0.86015904	-0.99262077	0.109927006	0.2958736	0.33456337	0.9795543	-0.24574782	-0.68009967	0.16766694	0.44278544	-0.06274991	-0.22768241	0.6994654	-0.11289768	0.18454775	0.9917545	-0.6299447	0.49511746	-0.5743923	0.080973744	-0.31925702	-0.21052651	0.14928679	-0.07059131	0.3884896	-0.32910138	0.9999391	-0.26252818	0.4082865	0.545723	-0.42698225	-0.23501952	-0.96635395	0.5900932	0.88842314	-0.6674718	-0.5362557	-0.9999965	-0.14914192	0.9486886	0.34009674	0.04166895	-0.02444633	0.6025528	-0.47847468	-0.88460577	0.2877151	-0.43915728	-0.7503283	-0.27511165	-0.007837612	-0.2773217	0.27734524	-0.11958915	0.1312368	-0.6100452	-0.9270432	-0.77474666	-0.3995691	-0.62685025	0.20298246	0.24985446	0.22499524	-0.20756513	0.3084507	0.31209797	0.21849485	-0.7652096	-0.41554418	0.58062905	0.4176616	-0.59623575	-0.705432	-0.5937154	0.30526334	0.0683588	-0.70206296	0.3460088	0.007504683	-0.60108715	-0.059246954	-0.19591029	-0.1777593	0.38373378	0.07089485	-0.044176985	-0.31974977	0.06838626	0.38504103	0.6956078	0.3882454	0.7122272	0.581126	-0.24250993	-0.810354	0.7824476	0.15244938	0.38273314	-0.22575866	-0.29625872	-0.3260499	0.19187929	-0.32906473	-0.095410846	-0.043648563	0.08340352	-0.99974203	-0.38377094	-0.045938045	0.11967371	-0.010922846	0.43983188	0.23045032	-0.5513375	0.06746626	0.030885242	0.7216986	-0.24061862	-0.266064	-0.018530313	-0.70923585	-0.935276	0.025429517	-0.21248643	-0.39753252	-0.4476371	0.007476695	-0.09884456	0.0784192	0.76720107	0.004113476	0.44497767	-0.48471627	-0.4890705	0.7591302	-0.49959722	-0.005688265	0.74839604	0.71998525	-0.040543675	-0.50396293	0.3327352	-0.12531532	-0.07991245	0.5236886	-0.011567665	-0.14283656	0.027732454	-0.79534143	-0.6639642	0.5275565	0.34377465	0.04635241	-0.190635	-0.21426728	0.4913409	-0.4938481	0.14980617	-0.2777353	-0.2971642	0.11855959	-0.17949939	-0.4003673	0.3979897	-0.36083397	0.810003	-0.11271861	-0.5931758	0.9478392	-0.07098398	-0.06520631	0.14723319	0.48032895	0.5807931	-0.4312444	-0.31746387	-0.01871192	0.1672154	0.9985925	0.4060078	-0.23452243	0.14419699	-0.17191213	-0.6145244	0.9300633	0.9527357	-0.59682673	0.6680301	0.93090194	0.5097088	0.3950238	-0.4283225	0.00041081	0.9999986	-0.99727136	0.088135205	-0.578258	-0.34435686	-0.38599417	-0.61247003	0.36845762	0.013060528	-0.8306743	-0.9379676	0.42983305	0.5388723	-0.61804557	0.1110546	0.24986541	0.33719215	-0.3253905	0.76574636	-0.5518368	0.42463544	-0.0317175	-0.99994373	-0.13838942	0.7472071	0.79826295	0.1721218	-0.3756661	-0.5085495	0.40327844	0.21559495	-0.8970439	-0.775667	0.4135402	-0.3127314	-0.44859335	0.5839811	-0.56273013	-0.010157615	0.87932026	-0.56313246	0.17889027	-0.52048695	0.40140858	0.08307393	0.62949514	0.54134375	-0.5142852	0.046579935	0.22476307	0.3058546	-0.042152353	-0.23464932	-0.6511455	-0.95042443	0.4224471	-0.27942222	0.087474525	-0.21499962	-0.27779302	-0.080209546	0.9998198	-0.10616503	-0.27529243	-0.2837589	-0.28747615	-0.10996431	-0.14898227	-0.9423279	-0.5594575	0.014743274	-0.05527883	0.264606	-0.43075293	0.42108685	-0.20738016	0.60071796	0.02147464	-0.20685577	-0.9857096	-0.06248421	0.65932125	0.012539682	-0.021490013	-0.6778012	0.48821935	-0.5128775	-0.68958116	-0.6527119	-0.3951041	0.28158477	0.03465024	0.11500496	0.68377835	0.56425905	-0.37351364	0.04393649	0.32556835	0.36368495	0.28330174	-0.33764413	-0.70908386	0.67155516	-0.30236942	-0.5231632	-0.1656497	-0.29223603	0.40912676	-0.2864027	-0.17940238	-0.46148065	-0.7683414	0.45121676	-0.431775	0.78153056	0.17339294	-0.085818104	0.084568165	0.3637367	0.7273046	0.99999964	0.7969519	-0.97804433	0.6277191	0.9998301	0.13570271	-0.4989346	-0.9999312	0.14103799	-0.120595165	0.64741975	0.55644387	-0.17384149	0.08553557	-0.00926516	-0.74789304	0.1100859	-0.2977668	0.3764586	-0.4690597	0.47451174	0.119715415	-0.99999684	0.99999934	-0.41294855	-0.10618266	-0.0707974	-0.762937	-0.37412012	-0.67366725	-0.7537331	0.09846168	-0.23502746	0.69210297	-0.94058573	0.15589395	0.021091077	0.45393118	0.49900773	-0.4383045	-0.14519256	0.5829133	-0.9999461	0.2562844	0.20345454	-0.8801156	-0.1670169	-0.69565266	-0.9875886	0.075232655	0.13949746	0.561322	-0.48752445	0.4721586	0.10549899	0.97562236	0.30200613	0.7612234	-0.013579362	0.045576278	-0.6711124	-0.45865062	0.47154078	0.53292334	0.32222265	-0.8689359	-0.9046588	0.042351734	0.32333276	-0.3196009	0.3466839	0.56129	0.096385114	0.8036298	0.0467807	0.36351833	-0.24147312	0.99202996	-0.27143928	0.10666903	-0.25611794	-0.14348501	0.6158431	0.9996434	0.5605438	-0.017673234	-0.5475928	-0.66785264	-0.7215402	-0.46278837	-0.9910632	-0.36725822	0.80515265	0.4314027	0.7409168	0.16071162
32	0	CCCCCCCCO	-0.57637095	-0.1495044	-0.3418053	0.51982415	0.024827026	0.46515697	-0.56152904	-0.06254512	-0.11777626	0.005849565	-0.73839587	0.01745361	0.07858156	-0.7723471	0.5883114	0.48754492	0.47641832	-0.385823	0.40451473	-0.2259867	0.3172315	-0.83730555	-0.084377505	0.37288037	0.15000184	-0.12542906	0.076593466	-0.5170453	0.48437262	-0.34410483	0.22664623	0.814654	0.6156418	0.004575287	-0.07932558	-0.58319396	0.23973344	0.8332521	-0.9542699	-0.9133784	-0.9859792	-0.3163614	0.2950556	-0.18153226	0.108108245	-0.9908193	0.63593024	-0.19867721	0.9692753	0.19946985	0.8085579	-0.15043232	-0.008341179	0.3119546	-0.94593567	-0.13218153	0.94548815	0.9830025	0.120381735	0.27124953	-0.62616473	-0.32577425	0.07300752	0.30929774	0.44757587	0.45875505	-0.0902803	0.27026466	0.2646378	-0.19506675	0.9129571	-0.9703764	-0.06897998	0.8671436	0.57615656	0.5691701	0.07038173	0.40808266	0.3994897	-0.9987919	-0.6714575	0.050797656	-0.6215957	-0.45110115	0.5540945	0.5119392	0.11979304	0.5844637	0.08208242	-0.6928016	0.040528256	-0.2499537	0.061010826	-0.14923231	0.23760468	-0.16915333	0.18624996	0.2796239	0.17193146	-0.7315461	0.24128252	-0.2953585	0.14198174	-0.6298189	0.9939557	0.7477147	0.57877195	-0.068255916	-0.54517025	0.42835486	0.23946388	-0.03274219	0.6898111	0.50004053	-0.28928795	0.5863926	0.31115416	-0.06382924	0.9896331	0.5725311	0.37801412	0.13495888	0.10397736	-0.19740793	0.031355657	0.1753803	-0.27474964	0.05724602	0.4440062	0.9995981	0.5399846	0.63891584	-0.025510501	0.32565734	-0.2872687	0.44172564	-0.17189991	0.2732981	0.072537504	0.38235238	0.99933296	-0.1599158	0.9901261	0.1608752	-0.4983858	0.14341624	0.6423359	-0.34794116	0.9970265	0.39249456	-0.06910577	-0.7038853	0.5514779	0.1573951	0.10493167	-0.124558106	0.33620042	0.9979807	0.26794893	-0.7485287	-0.9757899	-0.10720526	0.38682687	0.3013885	0.32283604	-0.2566372	-0.18678729	-0.0678654	-0.19491032	-0.026650675	-0.2554099	0.17267306	-0.1095992	-0.19792084	0.15113263	-0.9781977	-0.399438	0.1476842	-0.52943814	-0.13716215	-0.13378355	0.5846638	0.14146422	0.45918205	-0.96546054	-0.053334553	-0.052089565	0.3719425	-0.6159569	0.6808969	-0.32167715	0.5905895	0.25089568	0.2988594	0.22845703	-0.566538	0.083919816	-0.54142046	0.34841636	0.16994998	-0.3890681	-0.6199555	-0.35593235	0.15741096	0.10774505	-0.24721728	-0.40462646	-0.3027895	-0.4426331	0.7430795	-0.39403045	0.24584152	0.1851882	-0.76218456	0.14217268	-0.076399416	-0.5549305	0.40929353	0.16868171	0.14643817	-0.49249622	0.21566205	0.13416743	0.07235978	0.9960743	0.16672407	0.45271516	-0.4026699	-0.26256987	-0.17393161	-0.09840129	-0.3717264	0.5032467	-0.01079023	0.2544661	-0.6695435	-0.21621706	-0.20127887	0.2555762	0.06920725	0.8506932	-0.113184765	-0.7387658	-0.1789734	-0.47807416	-0.31199342	-0.019544927	0.1390012	-0.19828942	0.15116704	0.045430664	-0.9990036	-0.2754753	0.2544048	-0.4741262	0.41852802	-0.35243386	0.04410405	0.18804108	-0.3757777	-0.7354596	0.6060585	-0.07054696	-0.611667	-0.018836739	0.26648957	0.53924	-0.4429661	-0.6338877	-0.21156408	-0.41043234	-0.97476435	-0.1320987	0.2602287	-0.28792834	0.21427444	0.41165867	-0.32659388	-0.18015362	0.872299	-0.4448034	0.99606854	-0.17366816	0.85736406	-0.4620712	0.69017994	-0.1793628	-0.014100138	0.3742252	0.2338404	-0.4734057	0.9968405	0.15471475	0.6327807	0.17454542	0.67381656	-0.99415624	-0.95786583	-0.2916734	-0.16965964	0.000989208	-0.32806736	0.43477264	0.47578594	-0.13562009	-0.62354314	0.9987233	0.6551953	-0.26489383	0.08977717	-0.020840593	0.25486743	0.26863533	-0.14083634	0.938068	0.41766468	-0.54024017	-0.23422195	-0.98141974	-0.38106292	-0.4389965	0.57969683	-0.3924303	-0.8528008	-0.4661282	-0.7765919	0.39754006	-0.9403156	0.23581018	0.5006093	0.021936975	0.21536133	0.3042297	0.20355748	0.3281327	0.71240914	-0.017854456	-0.15570706	0.40393475	-0.33577493	0.45411012	0.2769356	0.3018784	0.765874	0.40911457	0.1713097	0.11655366	0.09779295	0.5849528	0.96786875	-0.9893852	0.12032779	-0.56789273	-0.25130224	0.044316262	0.38717917	0.08026288	0.87069994	-0.53872323	-0.35449186	-0.06528101	-0.23068091	0.3723042	0.2193843	-0.36730123	0.23217383	-0.56664616	-0.8770036	-0.34457377	-0.10315283	0.053950462	-0.6430738	-0.79031396	0.9617707	-0.04108741	1	-0.16638875	-0.1299633	-0.29469675	-0.3565829	-0.8247635	-0.25738695	0.6997213	-0.06789442	0.35214534	-0.5792032	-0.2727161	-0.2898583	-0.5511414	-0.16961305	-0.114415765	-0.14140256	-0.50797725	-0.54710555	-0.03427273	-0.7416686	0.6384507	0.3944487	-0.011741231	0.19253844	-0.9598635	0.25750038	-0.5186851	0.014070629	-0.013602172	-0.50318396	-0.20562652	-0.3514516	-0.265736	0.030550841	0.6617747	0.20025142	-0.24672018	0.002634131	0.294914	-0.589933	0.999829	0.22115113	-0.8698507	-0.17615223	0.84938556	0.16182332	-0.5315779	-0.9978544	-0.036984384	-0.012066497	-0.52998966	0.5033805	-0.17094882	0.5651582	0.36432245	-0.16977128	-0.39141905	-0.3375074	-0.29092795	0.003908204	-0.12974542	-0.084190466	-0.99851644	-0.9999999	-0.98214835	0.32458085	0.119884774	0.5761548	0.29400998	-0.3795101	0.68860954	0.07818119	0.66067994	-0.14139302	-0.14751722	-0.33848375	-0.0465379	-0.10299208	0.14153364	0.036308307	-0.22290194	-0.98965347	-0.99868876	-0.657435	-0.638876	0.35052168	0.22792661	-0.13429071	-0.9906578	-0.47021908	-0.6117716	-0.060449857	-0.26768246	-0.07798006	0.090429716	-0.8627407	0.4925294	0.6356483	0.49020526	0.7523712	-0.020420538	-0.85554856	0.3712778	-0.1431094	-0.72103477	0.6035434	-0.7503671	0.553686	-0.33041424	0.29017818	-0.51336426	-0.575781	0.44034615	-0.7191514	-0.21542513	0.012998124	-0.347187	-0.98885787	0.06969644	-0.66282475	0.17004785	0.29866454	0.42681912	0.9976746	-0.5238519	-0.12732473	0.6433144	0.6979644	-0.12097758	-0.20080447	0.9404555	-0.0639845	-0.16495013	-0.4812539	0.8088723	0.13906586
33	1	CCCCCCCCCCCCCCO	-0.6293321	-0.15450819	0.09500694	0.4998631	0.25820068	0.43032718	-0.5599842	0.4441139	0.019784618	-0.005688412	-0.8950122	0.31509945	0.3576588	-0.6615333	0.3827547	0.5440285	0.55400157	-0.40219656	0.124769695	-0.49308008	0.04356418	-0.7113037	-0.4021589	0.52708113	0.6586367	0.2305479	0.12986414	-0.34406757	0.7231745	-0.38568717	0.09963421	0.7762246	0.5451497	0.04602592	0.16111991	-0.7480258	0.35576892	0.718705	0.21031354	-0.9038345	-0.9770634	0.11195136	-0.036862794	-0.12050302	-0.3003193	-0.9867619	0.55069447	-0.38879555	0.9559398	-0.14948705	0.7566902	-0.121096104	-0.18762134	0.075239606	-0.940595	-0.016635504	0.9720124	0.9788124	0.022032244	0.27065042	-0.6856744	0.29600507	-0.22729649	0.6803154	0.53970885	0.18481721	-0.60590523	0.5212385	0.2938346	-0.017227396	0.7171449	-0.3073753	-0.09554084	0.83555746	0.87013996	0.6024837	0.2498991	0.15007626	0.3086122	-0.9994056	-0.049926165	0.2402182	-0.47035107	-0.4978175	0.76354194	-0.8279444	-0.43719074	0.76836205	0.07938526	-0.20362099	-0.21096455	-0.36783746	0.5332599	0.32940298	0.8022184	-0.51196665	0.8365057	0.11342839	0.26089025	-0.80964273	0.5454264	-0.28062415	0.43533173	0.7848236	0.8574323	0.7652275	0.42435738	0.06443253	-0.6120371	0.116394415	0.23971146	-0.2914957	0.7920238	0.5516162	0.07530297	0.5699081	0.26690042	0.39061385	0.99409705	0.6808594	0.16988331	0.4547679	0.003556176	-0.2102079	-0.20310389	-0.15400887	0.19139308	0.015679227	0.09561124	0.999971	0.26018348	0.7039756	0.07154518	0.28127766	-0.3018538	-0.14952588	-0.02777065	0.2873144	0.2583905	0.38202685	0.999631	-0.071953945	0.9955963	-0.09164215	-0.4755477	0.15544507	0.3621474	-0.16202979	0.9823942	0.32266673	-0.10091013	-0.8787658	0.6504589	0.33400628	-0.5327117	0.07790713	-0.12434525	0.9960209	-0.27863944	-0.75935537	-0.97110265	-0.6878946	0.6746113	0.084506795	0.06974073	-0.40641028	-0.75188655	-0.69432175	0.12074352	-0.05948907	0.089475125	-0.05979605	-0.5022833	-0.19467738	-0.28772062	-0.986729	-0.46082076	0.49527782	-0.5768939	-0.36107507	-0.17901562	0.6888798	0.37258154	0.48977858	-0.9574606	0.337826	-0.145708	0.46946853	-0.73030615	0.8261218	-0.82349074	0.43492082	-0.23157902	0.4863995	0.23606138	-0.5036045	-0.04433777	-0.4858597	0.4897044	0.48053852	0.07030523	-0.6953701	-0.22463793	0.17972648	0.051625043	0.006712079	-0.49743348	-0.6665421	-0.0596642	-0.9871351	-0.14989713	0.3154252	0.50196195	-0.78317535	0.42254174	-0.35770836	-0.75131404	0.45957258	0.24616744	0.07944231	-0.4494336	0.17815728	-0.68920815	-0.053133596	0.995923	0.14784603	0.26929978	-0.57437986	-0.21942195	0.15384772	-0.0882545	-0.15170062	0.28886575	0.04903436	0.16819529	-0.14413819	-0.20010677	-0.46524793	0.2902153	0.14400381	0.87929404	0.31646433	-0.23824757	-0.28906113	-0.8775756	-0.1503915	0.07548014	-0.36312616	0.27703398	0.22759594	0.026790878	-0.99980164	-0.12116267	0.42521745	0.09313245	0.7211504	-0.19077452	0.02428279	-0.009741876	-0.39309573	-0.6425351	0.7659949	-0.34315965	-0.7546944	-0.07790728	0.49474457	0.45283192	-0.7586399	-0.38646102	-0.34877062	-0.61752284	-0.8404044	-0.74074334	0.15773995	-0.25355625	0.042892728	0.4010063	-0.19489661	0.07521889	0.7834855	-0.41344893	0.9987394	-0.5083958	0.77746683	-0.6585273	0.52975136	0.46100923	0.7938235	0.58646876	0.55798274	-0.0686572	0.99841887	0.396447	-0.050697777	0.034201156	0.77474225	-0.9899221	-0.9988708	-0.42447838	-0.033569694	-0.20495868	-0.49022374	-0.1674179	0.27562165	-0.14444804	-0.94496936	0.9654182	0.6316006	-0.19502613	0.3045951	0.11319498	0.32558987	0.1714208	0.029286612	0.9617159	-0.005172674	-0.46787667	-0.52711695	-0.99109143	-0.3559513	0.00054919	0.40535316	0.0972358	-0.95686054	-0.09860125	-0.5430246	0.46448612	-0.97363496	0.3604815	0.42271686	-0.038574863	0.43121552	0.22205003	-0.39999756	0.077539705	0.9673608	-0.2554842	-0.37498966	0.69490075	-0.07701227	0.3190359	0.319	0.5026207	0.8105924	0.003490083	-0.042923536	0.35789523	-0.062342957	0.17161547	0.9072709	-0.9961325	0.13414432	-0.2828793	-0.56192064	0.16310067	0.5901701	0.0659975	0.9992603	-0.5727637	-0.45799562	0.018013544	-0.5131581	0.47130835	0.029858679	-0.67765766	-0.12971644	-0.757473	-0.8702558	-0.32391438	-0.00639047	-0.48439774	-0.6972678	-0.90100557	0.918284	-0.4178698	1	-0.06263662	0.08567356	-0.2737957	-0.014538722	-0.24797665	0.063600175	0.7575824	0.21441461	0.46389082	-0.61310947	-0.16927633	0.15920332	-0.5981494	-0.319043	-0.6650008	-0.11689561	-0.5345471	-0.5992003	0.24100763	-0.9581888	0.46438867	-0.2381638	-0.7191082	-0.12370537	-0.9475507	0.053856246	-0.6579601	0.18960696	0.009219758	-0.61981374	-0.1062058	-0.67529863	-0.31356376	0.47439018	0.6523062	-0.2862266	-0.12190026	-0.16344097	0.5256678	-0.32279024	0.9999535	0.36227605	-0.8267627	-0.19182085	0.99198014	-0.22775805	0.18716872	-0.99936223	-0.33441976	-0.63868725	-0.8225486	0.23534228	-0.04507961	0.30411094	0.5191901	-0.9499443	-0.021398285	-0.42867672	-0.20028351	-0.34181777	-0.22532347	0.041289788	-0.99936557	-0.99999994	-0.95875967	0.39835545	-0.03571709	0.82414955	0.19232295	-0.37935087	0.9321087	0.20477459	0.7384633	-0.19767171	-0.06547314	-0.39974692	-0.38369095	-0.16409507	0.3282964	0.21375541	-0.3314599	-0.9529569	-0.9992252	-0.76223093	-0.7807492	0.54923886	0.32128772	-0.52112585	-0.99813205	-0.35533386	-0.7307373	-0.50924015	-0.6010562	0.1856845	0.14011517	-0.82705104	0.3938838	-0.8730436	0.54941124	0.8051263	0.1722532	-0.78618675	0.36857074	-0.1682857	-0.528426	-0.18105802	-0.733835	0.5997034	0.10021741	0.43621895	-0.31697905	-0.49290654	0.038869586	-0.94572043	-0.42473215	0.5727801	-0.3747875	-0.50742626	0.15505165	-0.42844775	0.10127053	0.24728546	0.3550046	0.99972844	0.2427024	-0.3152832	0.6454636	0.5038295	-0.63418394	-0.34636235	-0.6432767	0.38374543	0.45093325	-0.4395947	0.8257108	0.072864704
34	1	CCCCCCCCCCCO	-0.6302213	-0.000402331	-0.017414402	0.48919204	0.16416742	0.47275215	-0.49399585	0.21875726	-0.062876515	0.037291553	-0.83304006	0.22351515	0.270663	-0.75904053	0.36462575	0.53121495	0.53547364	-0.32605678	0.27423757	-0.35093632	0.21557312	-0.7963939	-0.24583213	0.47422993	0.4829386	-0.008550274	0.114238046	-0.3841348	0.6519917	-0.36724687	0.23491216	0.81835693	0.61474633	0.097677834	0.1093616	-0.7050688	0.35839057	0.8284035	-0.72216386	-0.92597896	-0.98358786	-0.026921866	0.096824735	-0.10160387	-0.100541525	-0.99274224	0.58257663	-0.28611788	0.9660173	-0.040764503	0.8054511	-0.16387424	-0.12741947	0.21523483	-0.95438915	-0.10040081	0.9626599	0.986777	0.11430854	0.3366315	-0.60720265	-0.018472945	-0.20310895	0.559445	0.46041277	0.29181436	-0.36426052	0.39859933	0.23801182	-0.29658437	0.84621394	-0.8487428	-0.017851936	0.84372914	0.7652224	0.6303347	0.17798051	0.24431671	0.22212727	-0.9993286	-0.31918958	0.16878334	-0.53716445	-0.51689875	0.7246997	-0.2800626	-0.13147277	0.6927865	0.09716348	-0.45223027	-0.18364863	-0.3036465	0.36576077	0.14177825	0.6394272	-0.3519369	0.6194118	0.15327351	0.16614164	-0.7938536	0.3632721	-0.2909421	0.31235805	0.18813863	0.97982687	0.7565586	0.53077936	-0.122746624	-0.5507725	0.3340821	0.22849457	-0.21285836	0.78665274	0.55183035	-0.13355699	0.58625543	0.32497033	0.24136059	0.9940387	0.63418263	0.31979784	0.31593043	-0.038250513	-0.24116617	-0.052401725	-0.037564382	-0.06930434	0.13895759	0.17263739	0.9999135	0.35898334	0.7153171	0.024778474	0.3292616	-0.30954728	0.06588778	-0.031423815	0.26302683	0.26837066	0.3706507	0.99951833	-0.11905231	0.99526054	0.000243794	-0.5171753	0.061930556	0.53506964	-0.24778612	0.99557006	0.41615894	-0.20094638	-0.85791177	0.61795384	0.27666453	-0.24688311	0.030075504	0.24326792	0.99847764	-0.0624152	-0.7485792	-0.98070955	-0.5601109	0.621822	0.21803956	0.07005681	-0.28864416	-0.59153813	-0.5357216	-0.10036417	0.023999346	-0.048823714	0.019714866	-0.36451966	-0.14426565	-0.1270273	-0.9855216	-0.42757058	0.39510632	-0.55184335	-0.3301474	-0.21152356	0.6417628	0.30484384	0.4355083	-0.96948546	0.1801958	-0.03483225	0.45174214	-0.7126324	0.75670034	-0.6312337	0.47970173	-0.020506814	0.38998297	0.2988801	-0.5992807	-0.06646937	-0.46170497	0.4230893	0.4104316	-0.13702056	-0.6277983	-0.3720125	0.058110848	0.030219642	-0.101817235	-0.50770116	-0.5267212	-0.26743326	-0.7554911	-0.25665858	0.2963392	0.37927136	-0.75884455	0.29918942	-0.29277	-0.7449904	0.4687012	0.24645141	0.14311	-0.48646593	0.25383678	-0.3670457	0.040868755	0.996425	0.16340968	0.22875881	-0.50284815	-0.1627032	0.09770681	-0.10665692	-0.25701618	0.44892383	0.15578978	0.13568553	-0.43232006	-0.17114629	-0.37258285	0.34545437	0.0918754	0.8699606	0.14776075	-0.49935952	-0.34900895	-0.75918883	-0.26768187	0.06988439	-0.19620529	0.050303932	0.105364375	0.00987965	-0.99968684	-0.19075234	0.369384	-0.23990218	0.60268515	-0.2225961	-0.028765483	0.18658885	-0.3917185	-0.71214676	0.654643	-0.28165627	-0.6801502	-0.058755185	0.48232943	0.5043148	-0.67407835	-0.50645614	-0.41773304	-0.52425545	-0.92957777	-0.55778426	0.21468978	-0.30886558	0.044145532	0.39947087	-0.315434	-0.005389801	0.8345167	-0.48441806	0.9984245	-0.36503938	0.8459655	-0.5922362	0.57656455	0.17699105	0.50151545	0.58762556	0.41308975	-0.23988718	0.99866635	0.40829724	0.3406604	0.12184035	0.69790816	-0.99221563	-0.99503905	-0.3937136	-0.06292351	-0.13187358	-0.45397383	0.10701861	0.3457127	-0.13163143	-0.8871653	0.99615216	0.65912414	-0.30421552	0.19792211	0.16301998	0.22322764	0.18207128	-0.19585457	0.9543976	0.18217514	-0.5501441	-0.44985446	-0.99153525	-0.42832726	-0.14288658	0.520509	-0.06979958	-0.92944217	-0.22506264	-0.66479343	0.43038642	-0.9605438	0.32629722	0.47838262	0.06684452	0.4337312	0.2157912	-0.26165316	0.20916788	0.9026302	-0.2101473	-0.28923935	0.59887654	-0.13258255	0.41621044	0.29656982	0.36762205	0.7984417	0.17777897	-0.03390982	0.27687398	0.06214808	0.37557706	0.96304595	-0.99573016	0.096260294	-0.37326247	-0.42515802	0.074781455	0.48783743	0.062487986	0.995652	-0.5608017	-0.44131336	-0.11673444	-0.3842974	0.3998869	0.12517717	-0.52855843	-0.017027631	-0.66851956	-0.87023264	-0.35821012	-0.019037344	-0.31365493	-0.70269203	-0.854898	0.95166034	-0.2985089	1	-0.21176705	-0.045675654	-0.3002113	-0.1170194	-0.6476297	-0.112168625	0.76524067	0.060797315	0.4863197	-0.6244066	-0.27097237	-0.067890845	-0.5407542	-0.21585932	-0.4550063	-0.09399653	-0.6151012	-0.61251795	0.12985665	-0.9035749	0.5886523	0.07547405	-0.4384409	0.05766761	-0.9644501	0.02461915	-0.58088976	0.15752795	-0.08468458	-0.5767585	-0.27320844	-0.6151736	-0.38589257	0.31290296	0.6704543	-0.08069221	-0.055883035	-0.052254837	0.38296518	-0.43909112	0.99994904	0.29496205	-0.83720994	-0.16824442	0.98505235	0.002265781	-0.16354139	-0.9990813	-0.19013065	-0.3974422	-0.72831506	0.4681582	-0.060493663	0.405607	0.46590585	-0.8097271	-0.14575401	-0.40008947	-0.2760004	-0.18731163	-0.14958034	0.033008806	-0.99919724	-0.99999994	-0.98049474	0.32812324	0.028024416	0.7164815	0.22293499	-0.39008915	0.8568189	0.14498542	0.71551174	-0.114165895	-0.14767681	-0.27262712	-0.19459833	-0.21075195	0.18280223	0.16468509	-0.25970215	-0.9854051	-0.99911255	-0.7163651	-0.7630274	0.42075825	0.29707226	-0.5205494	-0.996732	-0.46017152	-0.68857193	-0.22511403	-0.49550316	0.118794195	0.1600227	-0.8173847	0.47811168	-0.333543	0.56027603	0.7627456	0.16105443	-0.8142031	0.32153583	-0.11376957	-0.6367971	0.259532	-0.6655383	0.5878401	-0.14132038	0.36747274	-0.33169752	-0.4778286	0.26852652	-0.8845799	-0.37335503	0.3562339	-0.4028031	-0.94691753	0.11402899	-0.50962013	0.14203873	0.26897874	0.35842785	0.9995315	-0.13590434	-0.3059133	0.6174538	0.576573	-0.42819104	-0.39563203	0.5043444	0.15741625	0.25330332	-0.4915776	0.8123579	0.11981113
35	0	CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O	-0.12407378	0.19953652	-0.10388287	0.6516371	0.38360912	-0.21379012	0.07668224	0.23794033	-0.004995162	0.11005555	-0.40513197	0.07183472	-0.005476461	0.6784195	-0.6269405	0.3145615	-0.34623533	-0.20929487	0.52701145	-0.21190804	-0.13770226	-0.27145365	-0.2672425	0.011292523	-0.38217628	0.59818536	0.5044993	-0.20654377	0.48870972	-0.3564809	-0.162421	0.5885534	0.66113955	0.36957258	-0.11926364	0.0994728	0.44077834	-0.059221435	0.99898106	-0.36138177	-0.7667953	-0.31996062	0.07686264	-0.3710745	0.06662276	-0.44393072	0.58983284	-0.48863217	0.9799213	-0.5824751	-0.12122652	0.3430884	-0.5332802	0.42277944	-0.850905	0.098791994	0.17860276	-0.17721355	0.43331715	-0.28051072	-0.09871135	-0.101154126	0.6150941	0.11566851	0.6843545	0.48975256	-0.22059424	-0.46067515	0.34711838	0.85968715	0.2594846	-0.66390747	-0.3006986	0.8667252	0.3046483	0.829713	-0.2640732	0.3728647	0.35423318	-0.99982786	-0.7093648	0.49181372	-0.300418	-0.25372425	0.41169944	-0.88206166	0.4504212	-0.38186607	-0.1149089	-0.1609485	0.07547305	0.32928655	0.38354692	0.09115056	0.9911212	-0.5720244	0.77574277	0.09925025	0.1747003	-0.56848353	0.17352565	0.5758781	-0.22083151	0.8825046	-0.9957057	0.6720712	-0.6965335	0.4903594	-0.7054957	0.044017926	-0.64001435	0.0802299	-0.031965148	-0.52091813	0.5315931	0.12577704	0.07015479	0.14143929	0.9812098	0.42052522	0.205842	-0.12235676	-0.45888385	-0.02250331	0.26240945	-0.084960684	0.004905488	-0.39049143	-0.34354118	0.9998233	0.12231255	0.4463921	0.5245846	0.20826939	0.3230218	-0.83920467	0.6001212	0.37070608	0.39735433	-0.70393664	-0.99914217	0.4141308	0.8415253	-0.020788522	-0.5461802	-0.2149759	-0.23720722	0.065020464	-0.93928605	0.67045814	0.5148839	-0.8652695	0.8333333	0.27204677	0.4512941	-0.14469633	-0.56940776	-0.27544954	-0.77464044	-0.85030645	-0.820136	-0.23552693	0.61223286	-0.1430673	0.59792835	-0.40720242	0.22293955	-0.3026837	-0.5811256	0.6079353	-0.24742731	-0.42094103	0.0481237	-0.46876428	-0.5612955	-0.9902354	0.7606334	0.7715505	0.624685	-0.4642222	0.3260078	-0.60791713	0.35133418	0.1872618	0.40365383	0.04621553	-0.5490824	-0.24281089	0.26509684	0.08024236	-0.9133495	0.065575734	-0.39230523	0.04110267	0.4862432	0.5864278	0.003236686	-0.69970244	0.088367775	-0.20363422	-0.13690566	-0.18105377	0.006096935	-0.5804358	-0.26130033	0.3008113	-0.37778497	-0.7067169	0.3045145	-0.9999446	-0.62303555	0.37484324	-0.48913026	-0.6400537	0.117719404	-0.3519615	0.14436808	0.7208585	-0.20196679	0.30844757	-0.5443073	0.15400718	-0.77318054	-0.7272328	0.9892178	0.7409347	-0.07923957	-0.54318285	-0.33474177	0.7257445	0.4827016	-0.66757745	-0.39723203	-0.66216016	0.04443867	0.24943274	-0.25723985	0.27800825	0.28282732	-0.06180146	0.89704037	0.25884435	0.7112079	-0.5022886	-0.88864183	0.054835103	0.19200887	-0.14164671	-0.18174113	-0.63527197	-0.42394027	-0.64042336	0.059570566	-0.2876593	0.2017832	-0.4908558	-0.39474526	0.094462626	-0.7278194	0.12214098	-0.72391355	0.31565845	-0.5027505	-0.2323239	0.375387	0.18153608	0.3091707	-0.64542377	0.44876984	-0.020445036	-0.43111596	0.9966638	-0.18365769	0.038618676	0.30033126	0.52053607	0.31357276	-0.82056946	0.36678502	-0.8016421	-0.005078765	0.99625754	-0.7960913	0.4559682	0.0735878	0.109702006	-0.4309337	0.8471813	-0.3330641	-0.045515236	-0.75354755	0.86545813	-0.64413387	0.1686991	0.7274778	0.7298668	0.99999505	-0.9936492	0.89791304	-0.4241654	-0.4380198	-0.3837144	-0.17359936	-0.60653317	-0.8816757	-0.9925262	-0.95771515	0.3674492	-0.5572134	0.275941	0.1004186	-0.49170092	0.23026867	-0.5248104	0.5296836	0.4360921	-0.13788383	0.051782787	-0.9875838	0.64809096	0.01821179	-0.16418524	0.6670063	-0.45733684	-0.56803405	0.4040564	0.08896413	-0.6808638	-0.6582731	0.17997314	0.2688563	-0.42888057	0.7160146	-0.117421106	0.15957804	0.73414123	0.030469114	0.56765115	0.69706744	0.06659913	0.45991188	0.038136683	0.91217005	-0.4135002	-0.059961975	0.8300935	0.06761637	-0.6518623	-0.06344387	-0.80192924	-0.9347694	0.483422	-0.08574355	-0.3194147	0.15219244	0.5697632	0.11992522	0.99918413	-0.79560107	0.07815581	0.33703992	-0.019165048	-0.090724714	0.7834262	-0.8696409	-0.042674515	0.58705825	0.65400463	0.30279878	-0.09988135	-0.47471026	-0.82994443	0.5697333	0.2608746	-0.33786637	-0.999912	0.48803475	0.30546343	0.61784774	-0.35505465	-0.6759977	-0.11552342	-0.024115361	0.3691943	-0.16415864	-0.43615085	-0.3177356	-0.52424926	0.0545285	-0.8737853	0.5596465	-0.37768766	-0.5997757	-0.016104674	0.30022636	0.28582007	0.3279026	-0.09148301	0.6728076	0.13813145	0.3412329	0.74638283	-0.65153086	-0.24442814	-0.01590253	-0.398319	-0.33444083	-0.7226662	-0.05238127	0.03707587	-0.063858114	-0.48575628	-0.001759027	-0.10198805	-0.34090653	0.38101444	0.9999559	0.000504166	-0.9787555	-0.42330533	0.9902582	0.25591743	0.12333627	-0.9995647	0.7364462	-0.28940907	-0.20437324	-0.41559207	0.60017025	-0.44635248	-0.8029301	-0.8349209	-0.27744645	0.1589053	0.5262131	0.44916168	-0.012551198	-0.25057682	-0.9999469	1	-0.14732581	-0.43925548	0.37754202	0.96647507	-0.36334783	-0.38405252	0.8401374	0.45252427	0.1646977	-0.2656132	0.21701036	-0.49368924	0.68523955	0.25351137	0.38619322	-0.1448401	-0.25371364	0.6128368	-0.999774	-0.49358284	-0.35613012	0.48497233	-0.007220135	0.578557	-0.944572	-0.10069712	-0.5657827	0.49637493	-0.34490177	0.634832	-0.21167232	-0.062088575	0.1604831	0.80388147	0.6660152	0.36241812	0.38514894	0.14066212	0.36107594	0.39025468	-0.485227	-0.5030782	-0.9817999	0.31218082	-0.010523294	0.70160496	-0.5778418	-0.29567	-0.22218351	-0.9807098	-0.36412698	-0.4617708	-0.16724612	0.99627954	-0.06854408	-0.29519147	-0.7439424	0.5140203	0.4147114	0.99948984	-0.31840077	-0.44097412	-0.20472786	0.14253578	-0.5396934	-0.29267755	-0.9987605	0.6508911	0.029200563	0.07713904	0.82172203	0.016102456
36	1	CC12CCC3c4ccc(O)cc4CCC3C1CCC2O	-0.61864376	-0.26658213	0.42231375	0.53846556	0.5310119	-0.18567933	0.37648243	-0.095607854	-0.29649124	0.4004109	-0.8124726	0.3183606	0.1919095	-0.19138148	-0.1261421	0.7869296	-0.061906617	-0.6510709	0.6999353	0.1610504	-0.07973409	-0.3919025	0.04970624	0.082839034	-0.31643894	-0.13833082	0.1641208	-0.41532782	0.42210633	-0.39893293	-0.126112	0.4207662	0.31329963	0.48775402	-0.383289	-0.08274255	0.34074616	-0.569236	0.9969717	-0.79644924	-0.7451477	-0.21639666	-0.37391177	0.13052222	0.50821596	-0.83987826	0.30633548	-0.38634038	0.8076249	-0.4106531	0.5426033	-0.39383644	0.22882	0.45989576	-0.8687882	-0.2875915	0.18720853	0.5883756	0.23106223	-0.063775025	-0.36412752	0.037149068	0.5681611	0.43164435	0.47181383	0.5131249	-0.61799854	0.12188635	0.2891571	0.54818606	-0.38238594	-0.6591915	-0.31680283	0.7230591	0.07953737	0.64126724	-0.48456943	0.21002425	0.47072926	-0.99868983	-0.92676395	0.22037452	-0.9197295	-0.22455445	0.26360032	-0.915656	0.35676312	-0.4110046	-0.058599498	-0.4775998	-0.16086951	0.108882144	0.095674716	0.2591371	0.9782423	-0.4717362	0.6705594	-0.28831917	0.09876337	-0.22601959	0.2797938	0.02621593	-0.73556215	0.8681892	-0.9597123	0.6796523	0.48806438	0.28108376	-0.9996341	-0.20964824	-0.31025797	-0.52345914	0.41252238	-0.2870216	0.71205765	0.11017306	0.06513583	0.20180108	0.99180305	0.78264976	0.01904419	-0.087131225	0.21229625	-0.2816615	-0.014760939	0.32549936	-0.3100571	-0.26779708	-0.34511513	0.9999379	0.24684274	0.10205313	0.15033287	-0.086732835	-0.13844517	-0.35443774	0.64797026	0.5542002	0.26621473	-0.4646386	-0.9996683	0.0676228	0.95201415	-0.5628953	-0.09198829	-0.3235948	-0.6450077	-0.43204793	-0.6457665	0.18650246	0.5582018	-0.71752834	0.8736724	0.47724986	0.103392355	-0.66518503	-0.7843941	0.56011933	-0.3002239	0.19841124	-0.91760606	-0.06268173	0.2769888	0.24841915	0.740981	-0.12920864	0.45554316	-0.19097556	-0.3550366	0.6508549	-0.5525462	-0.10364693	0.4903453	-0.055575997	-0.6386276	-0.9852673	0.6229645	0.4758491	0.16867882	-0.08878681	-0.06145756	-0.09544702	0.7199052	0.59755474	-0.075727955	-0.1946886	-0.26130193	-0.3146823	0.002276701	0.6284249	-0.2937429	0.40241972	-0.45117107	-0.1499069	-0.14586776	-0.12270821	-0.3324234	0.020687072	0.21036312	-0.13963576	-0.28455314	-0.11935286	0.30162343	-0.032763876	-0.07868431	0.5576354	-0.16317026	-0.70972526	0.28480616	-0.9999254	-0.47212565	0.2993897	0.11240024	-0.7364843	0.4778403	-0.637998	-0.31994918	0.6662101	-0.5025309	-0.515741	-0.18051471	0.51732004	-0.7824947	-0.39818084	0.99999714	0.1731507	-0.14042878	0.22790553	-0.20196272	0.6079623	-0.20252796	-0.7361605	0.4864894	0.05003067	0.044066023	-0.03985871	-0.6786094	-0.08710989	0.3908858	0.18002191	0.77857876	0.24032377	0.9250116	-0.48026022	-0.52906996	0.61883587	0.17412508	0.038674545	-0.28755817	-0.7019192	-0.28506956	-0.37326443	0.06360254	0.14086503	0.046691243	-0.6874947	0.19071257	-0.23050334	0.1042562	-0.21280974	-0.6633408	0.6492184	-0.32334194	-0.8477371	0.48865405	-0.015267492	-0.06512181	-0.7784293	-0.7935355	-0.05135631	0.17683229	0.9960487	0.039014325	-0.21555544	-0.53433895	0.6345448	0.051306866	-0.44209573	0.46067166	-0.40546474	-0.001504442	0.9975605	-0.16107346	0.6531385	0.006096495	0.04332421	-0.11941523	0.25670007	-0.8403925	0.14287779	-0.098871276	0.96565723	0.18295357	0.17284665	0.5854558	0.696982	0.99999195	-0.99639964	0.5049918	-0.17701925	-0.4388683	-0.47768867	-0.09448181	0.02570929	-0.6616238	-0.9861039	-0.69573736	0.23940715	-0.42340568	0.07471911	0.5420922	-0.58071154	-0.17429088	-0.36368626	0.79830056	0.42341986	-0.13723248	0.08887312	0.9313879	0.5459978	0.47198063	-0.16868207	0.006932162	-0.60555315	-0.7172433	-0.11178554	0.035998046	-0.85053927	0.17455745	0.30502	0.44994932	0.054733515	0.6940467	-0.52737874	-0.067338295	0.72191304	-0.18665093	-0.14307956	0.4177399	-0.1716746	-0.19805582	0.06429676	0.7052462	-0.2027126	0.1337346	0.7916782	-0.37340787	-0.5618419	-0.007178095	-0.43594706	-0.973907	0.5492297	-0.277331	-0.2836856	0.49180833	0.575346	0.5222475	0.999754	-0.3234998	0.40567577	0.09812166	-0.17733909	0.048182048	0.5879032	-0.9177892	0.18087922	0.34339237	0.38453025	0.33901414	0.32255343	-0.27327275	-0.23616154	0.6673058	0.52529895	-0.3340994	-0.99998623	0.67482555	0.74739563	-0.33657417	0.021911437	-0.6158968	0.30855748	0.094509505	-0.44894695	-0.63274074	-0.43422985	-0.37592953	0.18325853	-0.16792937	-0.85582525	-0.11096326	0.42224008	-0.10512904	0.19638479	0.30638555	0.44556177	0.09245935	-0.19506729	0.6928273	-0.43953905	-0.46781233	-0.075441964	-0.40261406	-0.25568533	-0.026082136	-0.7254483	-0.46862155	-0.77632135	-0.39207813	0.49324733	-0.05788447	-0.5149047	-0.14915177	-0.18204875	-0.03028388	-0.48390323	0.91187483	0.0653523	-0.9845102	-0.27472517	0.9982116	-0.6657847	-0.33497533	-0.9872164	0.52491784	-0.12859932	-0.4416342	-0.52230203	0.31300783	0.66268593	-0.6453678	-0.84461665	-0.33515382	0.04382717	0.35703963	0.39919817	-0.19978245	-0.000950834	-0.9998785	1	-0.6896962	-0.18126549	-0.4652908	0.9756567	-0.4616801	-0.6320067	0.78194803	-0.2138138	-0.2471964	0.14740503	-0.54198647	-0.53577465	-0.06404044	-0.6450806	0.4339585	0.14273243	0.35705137	-0.1144229	-0.99979234	-0.7934275	-0.3751336	0.4970092	0.18267559	0.37097594	-0.9810269	-0.02212187	-0.78933847	-0.4911525	0.18739067	0.16127437	0.17395565	0.70250666	-0.2806451	0.46348602	0.50093484	0.5403558	0.36613202	-0.78174186	0.28133497	-0.012354911	-0.3307017	-0.54376674	-0.9443141	0.6786648	-0.49726534	0.4248139	-0.38569152	-0.7394445	0.2700818	-0.9020669	-0.70938283	-0.3367537	0.08004041	0.97609067	-0.15109298	0.34542757	-0.53325903	0.71599877	0.11212636	0.99992126	-0.16656409	-0.49543607	-0.12838127	0.5321655	-0.3064068	0.22296214	-0.9955436	0.06762299	0.34339327	-0.18527237	0.72980297	0.34965062
37	1	C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C	-0.6905903	0.27833098	0.20061137	0.36971265	0.052474745	0.07986202	-0.2585676	0.17270492	-0.63768774	0.49459922	-0.39343485	0.034355797	0.25350532	-0.5315277	-0.069849454	0.4711117	-0.3138641	-0.23730703	-0.1021003	0.2777124	-0.28689754	-0.30651227	-0.41512632	-0.27375054	-0.58347625	0.7166228	-0.34585857	-0.26621145	0.8066478	0.22872326	-0.13449629	0.31387687	0.83377445	0.41345593	-0.44361746	-0.18979512	0.31638983	-0.33701316	0.9990913	-0.6851591	0.19226874	-0.12337266	-0.08278902	-0.1499646	0.5139885	-0.62223315	0.5100137	-0.31881937	0.8422481	-0.31621188	0.66887546	-0.018057587	0.14699711	-0.019022899	-0.8652466	0.096214406	-0.15845053	0.30771434	0.6911174	-0.72975874	0.62002057	0.12578675	0.5073699	0.7121913	0.67606705	-0.6896044	0.20473139	0.0331667	0.13622783	0.5936144	-0.17769836	-0.6588904	-0.07169359	0.75694895	0.55129325	0.7687151	-0.34651533	0.120179854	0.14705624	-0.9991279	-0.9028027	0.31612855	-0.9628478	0.29165497	-0.058458388	-0.9127618	0.14834492	-0.41763157	0.034757514	-0.2669602	-0.59142756	0.08862669	-0.80703175	-0.0639605	0.99056995	0.11375875	0.538929	-0.7136853	-0.26378134	-0.55336344	-0.4792704	0.5526945	-0.09428735	0.8873038	-0.9926023	0.7512553	0.14904389	0.28940013	-0.9991212	-0.26034293	-0.2413759	0.24095106	0.4122984	0.47804096	0.6190194	0.28710654	-0.056123804	0.5604083	0.98360914	0.6024127	-0.45294175	-0.2826682	0.28072414	0.06312878	-0.52461386	0.48380286	-0.48895895	-0.3190473	-0.32462782	0.99995196	-0.025266387	-0.01998389	-0.24229641	0.14025566	0.13574304	-0.77656627	0.67980075	0.7950893	-0.014112568	-0.870793	-0.999965	-0.12067483	0.9267856	-0.15539978	0.8536178	-0.4369656	-0.5745338	0.40631375	-0.9431161	0.20353179	0.5750745	-0.8539709	0.9472747	0.22291839	-0.09997373	-0.6786497	-0.32509086	-0.1931117	-0.2936626	0.039224748	-0.9323782	-0.2747277	-0.032902237	-0.45928568	0.75258356	0.63216275	0.11609444	0.25271615	-0.21376477	0.6033189	-0.56886196	-0.3147821	-0.19181354	-0.37341616	-0.05494026	-0.97965366	0.6138711	0.63751024	-0.26286578	-0.13347429	-0.14854944	0.010166349	0.6099239	0.45206255	0.47790837	-0.4272018	0.37468353	-0.44061252	-0.15859695	0.34448785	-0.5649093	0.2962002	-0.085663915	-0.69726	-0.51798916	-0.19312231	0.5746551	-0.40952623	0.5580576	-0.0814029	-0.2662389	0.24829538	0.19370434	-0.23670618	0.29461968	0.07483124	0.24114162	-0.6943614	0.29646218	-0.9999525	0.18342781	-0.6708446	-0.043497965	-0.57876813	0.37394634	0.13707753	0.11779231	-0.024460915	-0.4426891	-0.2867053	0.12034978	-0.046958286	-0.7710245	0.44918105	0.9999508	-0.42281288	-0.22813258	0.608653	-0.13543741	0.5004757	0.522806	-0.68738186	0.8150881	0.3435337	0.1863664	0.5041533	-0.59424615	0.092286624	0.5877102	-0.7585816	0.82481176	-0.18693952	0.77981496	-0.066585265	-0.3629201	0.07574199	-0.07206396	0.014096167	-0.14874557	-0.75936055	-0.41820008	-0.36303207	-0.106387205	0.59363407	-0.44618434	-0.7917169	0.09824313	-0.29132864	-0.25374952	0.10901521	-0.73072624	-0.19906786	0.002951855	-0.79557866	0.3863603	0.54874617	-0.21012661	-0.024640758	-0.40004054	-0.2081152	0.10208604	0.99929476	0.16745573	-0.3130442	-0.57288826	-0.4922299	-0.7585684	-0.7584653	0.77733463	-0.2939031	0.14460574	0.9973017	-0.28003186	0.42203435	-0.3987158	-0.34132943	0.030145127	0.3528461	-0.8221628	0.5503049	0.55024946	0.8759557	-0.6794316	0.3773587	0.11378989	0.7935091	0.99999774	-0.9965635	0.6719218	-0.6309278	-0.31165847	-0.42567712	0.04440402	-0.3848226	-0.7260743	-0.9902151	-0.9354762	-0.32350913	-0.3699293	0.5512663	0.5987128	-0.06567813	-0.13117473	-0.6900546	0.7579414	0.6251367	-0.16705959	-0.21095777	0.935775	0.34065184	0.38538352	-0.12856366	0.5279283	-0.4001352	-0.7378519	0.1530549	0.44670695	-0.801261	0.13312666	0.3798469	-0.19111428	-0.33006957	0.39617065	0.04751451	0.23403397	0.67407924	0.084789805	0.22039127	0.5654626	0.06538992	0.6570433	-0.15803973	0.9492141	-0.2269195	0.112375766	0.608524	-0.113304645	-0.5008562	0.023695154	-0.7144605	-0.9527802	0.10236837	0.32530642	-0.22861277	0.39739603	0.2787642	-0.36879918	0.9994595	-0.47451556	0.08494604	0.35558534	0.63137436	-0.010687394	0.569061	-0.938005	-0.1235005	0.25398952	0.44325718	0.33790234	0.7120696	0.3370965	-0.01171879	0.5460773	0.36680216	0.3271508	-0.9999855	0.68480545	0.3474333	0.30777663	0.19424	-0.43032974	-0.44178888	-0.08920436	-0.51158935	0.28222075	-0.24824901	-0.312386	0.24080582	-0.15926445	-0.8875896	0.12410166	0.5560239	-0.13023435	-0.2706596	-0.12251728	0.42448542	0.63392055	-0.30042875	0.7480142	0.011030925	-0.29552615	0.30775994	-0.45498854	-0.3104155	0.14642045	-0.17476784	-0.36702946	-0.73365813	-0.017268881	0.39108694	-0.27720115	-0.3908813	-0.015050611	-0.6812111	0.32046744	-0.09939151	0.9265009	0.27250102	-0.9872772	-0.30839223	0.999121	-0.6875769	0.16175678	-0.9853817	0.5926687	-0.12384902	-0.32402042	-0.76886564	-0.3320527	0.3721268	-0.45385426	-0.8801978	-0.79143655	0.3132646	0.16632523	0.33331287	0.35313046	0.0518145	-0.99994415	1	-0.29923448	-0.6488343	-0.15823823	0.69854987	-0.21565779	-0.5876642	0.80744046	-0.56233984	-0.6733064	0.08726236	-0.29646993	-0.23713082	0.1717505	-0.48122475	-0.10006235	0.46498963	0.19330403	0.49828142	-0.99977094	-0.25011614	-0.46934637	0.46855426	0.77599216	-0.2162271	-0.96393466	-0.2486566	-0.21973523	0.03362807	0.39815268	0.49378017	0.54775345	0.8286064	0.40095916	0.70104754	0.43430638	0.6018286	0.5000226	-0.5885599	0.16925861	0.023615735	-0.4725673	-0.76604205	-0.9851139	0.22166516	0.000410059	0.4294127	-0.031297512	-0.00077126	-0.16272879	-0.8484676	-0.22018391	-0.029158508	-0.19727665	0.99582624	0.2046107	0.27188078	-0.7489846	0.26935527	0.48055235	0.999986	0.2180492	-0.68904865	-0.5256457	0.655556	0.6115834	0.70974535	-0.9975231	0.16853249	0.16979265	0.3186705	0.6961761	-0.35638404
38	0	CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O	0.11449413	-0.5021303	0.41739544	0.062456228	0.11274484	0.40970278	0.54452646	-0.06506119	0.23357418	0.5884071	-0.5926213	0.08046673	-0.32071704	-0.46623984	0.40323684	0.7974744	-0.1407645	-0.221191	0.4069508	-0.124292776	0.21449617	-0.3681334	-0.415631	-0.009540604	-0.4365469	-0.122607924	0.30733567	-0.3896948	0.31543973	-0.45066118	-0.3241679	0.26473817	0.6443627	0.36339164	-0.19425495	0.25749785	0.22117968	-0.5818781	0.9983582	-0.6692127	-0.5731645	-0.060179994	0.23464417	-0.053190205	0.34576076	-0.68400174	-0.007993402	-0.58889675	0.9799013	-0.8363914	-0.008570803	-0.2636225	-0.23793222	0.18790498	-0.7930551	-0.022006722	0.06631586	0.38604772	0.34449792	-0.6394984	-0.12706609	0.23894206	0.53447026	0.06488191	0.33053693	-0.14953208	-0.5677093	-0.21325825	0.18147814	0.20760505	0.47266877	-0.80511886	-0.3504875	0.8250768	-0.22610933	0.717902	-0.7008642	0.15815133	0.283684	-0.998827	-0.50083953	0.56590146	-0.47884503	0.37176126	0.19706723	-0.7854232	0.41052535	-0.778212	-0.14354387	-0.15239313	-0.318328	0.21005931	0.35077545	-0.5635883	0.98876	-0.1693763	0.72022986	0.41121623	0.17106004	-0.25170612	0.17197767	0.6410818	-0.25458097	0.77601266	-0.98605245	0.6498515	0.02617643	0.118236884	-0.6434022	0.16083328	-0.7618676	0.21056247	0.29023772	-0.4488836	0.5483001	-0.22075854	-0.1690876	0.4027806	0.9911627	0.26478475	0.13323209	0.05081225	-0.10332391	-0.27060875	0.5413161	-0.33814698	-0.28432447	-0.4405805	-0.16066524	0.9996361	0.012816472	0.12125363	0.6031706	0.070801094	0.40283582	-0.840555	0.75982374	0.21930768	0.58945525	-0.7236924	-0.9993328	-0.22344856	0.8947381	-0.48148233	0.081960484	-0.32398087	-0.559905	-0.04890466	-0.8782687	0.5708239	0.12062021	-0.8049592	0.784817	0.45922494	0.37580848	-0.54747576	-0.5331971	0.45188123	-0.16194102	-0.8270459	-0.8816108	-0.43024713	0.48577797	0.10433695	0.62798387	-0.51333725	0.10053425	-0.5860311	-0.3098944	0.23806547	-0.72171587	-0.15961829	0.4243955	-0.47826484	-0.47625732	-0.9601481	0.8362432	-0.070805654	0.58460385	-0.30376515	-0.1528322	-0.57943445	0.663885	0.47226295	0.16846415	-0.27082294	-0.81331736	-0.76959133	0.54594487	0.5396701	-0.47683418	-0.12249951	-0.7231621	-0.3873358	0.27557686	0.62900716	-0.2867745	-0.6761892	0.44920555	-0.17729886	-0.18666859	0.40598065	0.17321457	-0.15495877	-0.56772465	0.51908606	-0.12479394	-0.58475906	0.047616724	-0.9999531	-0.4148191	-0.0574828	0.32755667	-0.5386892	-0.01348371	-0.31892496	0.22918184	0.641165	-0.15683918	-0.7195327	-0.010262093	0.40861934	-0.7687696	-0.36134112	0.988987	0.52719975	-0.22058868	-0.2133149	-0.0236756	0.5046723	-0.3532991	-0.54795176	0.35855997	-0.49909586	0.42622158	-0.046126604	-0.3252305	-0.0453654	-0.6532169	-0.48690638	0.75864965	-0.0960674	0.9179716	-0.6615976	-0.8529233	0.13117585	-0.16190334	0.36557952	-0.09330201	-0.66249096	0.033867586	-0.45270053	0.28207785	-0.2510191	0.095473774	-0.49137288	0.17819275	0.2495362	-0.24099101	0.4125719	-0.7254587	0.36930814	-0.01678505	-0.43269718	0.15455082	-0.3661557	-0.38039893	-0.5167385	0.5729548	-0.45951894	0.37555194	0.99939275	-0.037226386	-0.1116276	-0.56158805	0.56450456	0.13466388	-0.70675975	0.4534794	-0.42760026	-0.3637841	0.9974046	-0.47249943	0.28671902	0.45312035	0.1853212	-0.66043943	0.7063765	-0.44070458	0.15212886	-0.59173447	0.96320665	0.2559778	0.12406108	0.6476031	0.6683823	0.9999891	-0.991421	0.8670276	-0.28095755	-0.09774658	0.018002545	0.32192197	-0.40299505	-0.45600608	-0.9894685	-0.7499971	0.09633583	-0.6707225	-0.41534823	-0.14411585	-0.5639106	0.2896718	-0.45096377	0.6515529	0.64877427	0.07491443	0.30087197	-0.99196064	-0.18684322	0.7859617	0.12265842	0.4314011	-0.2629345	-0.039320037	0.26186162	0.004439032	-0.7670737	0.0812513	0.21928237	0.58524555	-0.110827364	0.82318485	-0.49872112	0.13677439	0.5787786	-0.1682232	-0.13442686	0.047450278	0.55178505	0.10283358	0.60855216	0.5849863	-0.45657045	-0.16284673	0.69455606	-0.09936684	0.010765981	0.116027504	-0.5875611	-0.9555107	0.23253906	0.37286666	-0.63163996	0.26422265	0.52074647	0.13626271	0.99953264	-0.513167	0.13981466	0.3916105	-0.010325053	-0.20113659	0.75197285	-0.8473395	0.430262	0.08542954	0.7830573	0.12934393	0.30371913	-0.720671	-0.536971	0.7726612	0.2507104	-0.049384724	-0.99998754	-0.10336544	0.78210694	-0.57874215	-0.6474372	-0.86599976	0.10957866	-0.005526337	-0.49053413	-0.34460938	-0.17430645	-0.43917876	-0.34616995	-0.32366335	-0.7307484	-0.4460392	-0.1006251	0.000998009	-0.4597989	-0.018171402	0.2270525	0.3132404	-0.114645764	0.77603763	-0.08563243	0.09558893	0.03620807	-0.6665426	-0.27367562	-0.08285682	-0.6600774	-0.6907961	-0.6230013	-0.17635927	-0.16399768	0.14733161	-0.39120746	-0.16948047	-0.16594261	-0.5096728	-0.027711552	0.999964	0.08535681	-0.8085418	-0.019639539	0.99731815	0.2938327	-0.19146459	-0.9995457	0.43639678	-0.16261758	-0.2899727	-0.2785225	0.16300741	0.6057108	-0.22490358	-0.60103357	-0.1496167	-0.2424251	0.6179024	0.5915144	0.08717648	0.27832332	-0.9999206	1	-0.6552041	-0.6892001	-0.031198243	0.96156526	-0.48411295	-0.17196432	0.5770396	-0.05489432	-0.17999542	-0.19124734	-0.19413202	-0.27362663	0.14734074	0.033183865	0.5368087	-0.10086854	0.120287836	0.10687007	-0.9997741	-0.488797	0.15298587	0.3163606	0.5454911	0.22525674	-0.93290234	-0.30049834	-0.68684334	0.27077723	0.15714777	0.62649226	0.18092665	0.12181126	0.23216312	0.539888	0.51346993	0.15977675	0.04491461	-0.00468039	0.36885434	-0.50161475	-0.39980835	-0.61793005	-0.99394614	0.46308097	0.11042702	0.56378376	-0.43416765	-0.24067229	0.3843141	-0.953698	-0.22474633	-0.35769188	0.23358029	0.984795	0.47915033	0.02959357	-0.38969827	0.73748577	0.6367705	0.9998413	-0.1901284	-0.28285843	0.23438391	0.03139249	-0.49599528	-0.10137336	-0.99765927	0.22939959	0.27390578	0.20033455	0.71199286	-0.03981656
39	0	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	-0.6993861	0.23245317	-0.5132153	-0.001954315	0.5462252	-0.8651009	-0.16852906	0.17683278	0.1618999	-0.6054111	-0.5451214	0.52005124	-0.22095063	0.87707025	-0.13123387	-0.9920654	-0.6809991	-0.11489456	-0.10227228	-0.6606249	-0.56755984	-0.23488754	0.6416697	-0.7291195	0.8042991	0.6780148	0.2694333	0.16439408	0.9814069	-0.4414009	-0.52495074	0.8156005	0.2580014	0.6080338	0.0734521	0.94096977	0.18045366	0.665278	0.99920374	-0.13389847	-0.60867286	-0.51427513	-0.10888395	-0.70694935	-0.29614532	-0.7057998	0.7368943	0.78004104	0.989779	-0.7996829	-0.62028956	0.039330766	-0.10054934	-0.6208288	-0.8690472	-0.19073221	-0.4878491	-0.8828683	-0.8012564	-0.11591315	0.07894253	0.25377885	0.39900297	-0.08193594	-0.092715204	0.6435746	0.21965937	-0.6897976	-0.24375215	0.7998777	-0.5653157	0.11165798	-0.35820538	0.8282609	0.85179627	-0.9339868	0.82713395	-0.46837562	-0.6749404	-0.99922127	0.23639713	0.6547276	-0.22308601	-0.30536982	0.79477024	-0.8661335	0.11913142	0.40611443	0.1913023	0.57358426	0.7627242	0.5040403	0.5751603	-0.13254279	0.7185165	-0.024281599	0.7601367	-0.100818604	0.20342007	0.11247689	-0.37197495	0.1623711	-0.22092083	-0.50884223	-0.9942804	0.836093	-0.43260375	0.35219294	0.94932455	-0.7120227	-0.74330664	0.033168025	-0.7218499	-0.43480098	0.52076864	0.7859297	0.21573903	0.13536492	0.99491334	-0.7476024	0.58589125	-0.07730619	0.50179183	-0.45413637	0.06725241	0.36827952	-0.68290806	-0.47854072	-0.07663018	0.9999392	-0.06422459	-0.17571674	0.9552956	-0.7484098	-0.14609814	-0.97483724	0.2490163	0.41073734	-0.9091429	-0.7366296	0.999673	-0.38475576	0.98842746	-0.1746357	0.48096806	0.3795011	0.73041934	-0.054882076	-0.89567864	-0.290178	-0.67256707	-0.6477323	0.38299924	-0.45801917	-0.87389934	-0.44732118	0.16281417	0.11401977	-0.97380775	-0.7198561	-0.55289745	-0.59423953	-0.7065294	0.75750136	0.47903138	0.1380739	-0.7683856	0.37094596	-0.2171147	-0.043485083	-0.87371325	-0.81815326	-0.5972522	0.7721537	-0.51471245	-0.9232955	-0.8553583	0.66802967	0.36694035	0.86112624	-0.8486848	0.881457	-0.13280159	-0.9158515	0.75687563	-0.4374884	0.34354034	0.62899625	-0.47487098	-0.7834307	0.014618871	0.394646	0.12060586	-0.04505616	0.3194106	-0.5393263	0.5691498	-0.72166574	0.4613126	-0.63456726	-0.4735136	0.5240983	0.5715906	-0.8264307	0.04777224	-0.09872514	0.63441336	0.35724726	-0.58557487	-0.9999131	-0.38081887	0.796647	0.71559876	0.15932032	-0.92222005	-0.036651272	-0.1550301	-0.17406645	-0.044754155	0.38892612	0.43090853	-0.61032623	-0.09356651	-0.27170393	-0.95264876	-0.18351963	0.7439884	0.066781215	0.055862732	-0.521665	-0.17363575	0.3290931	-0.18254586	0.20070806	-0.50612473	0.76304525	-0.06678844	0.6870692	-0.37603053	-0.26564682	0.7271261	0.8932293	0.90049225	0.18726775	-0.9849584	-0.07885297	-0.29183316	-0.5596294	-0.64919513	-0.21411271	0.6684042	-0.99986136	-0.7794644	0.6826693	0.09502386	-0.6409907	-0.21433304	-0.58599716	-0.2221834	-0.5237365	-0.4350371	0.41683173	0.47726578	-0.43808576	0.21247393	-0.7836605	0.6185383	0.27859947	0.92918736	0.36323524	-0.9041395	0.99898785	0.59944314	0.71727747	-0.5033351	0.88607025	-0.11984335	-0.8715137	0.3047889	-0.9900484	-0.4513119	0.9929588	-0.12650304	0.5307094	0.42968613	0.7220457	-0.7809084	0.96930176	0.68508166	-0.8948133	-0.46871614	0.94228876	-0.54111487	0.67400366	0.11981015	-0.58381134	-0.9994472	-0.9986568	0.34893787	0.3138832	0.28117013	-0.37912178	-0.2971718	0.46037316	-0.29988375	-0.17148724	-0.8554446	0.47305217	-0.27409807	0.36237276	0.5712304	-0.6634962	-0.2136917	0.5086366	0.95683473	0.70734304	-0.15394987	0.34691396	-0.99976563	-0.29955366	0.39917648	0.35822544	0.55882084	0.48004308	-0.6037265	0.4950032	-0.2963491	-0.9390825	-0.95199275	-0.31616184	-0.8703481	0.74110377	-0.5645694	-0.38869962	-0.2992648	0.9818361	-0.7501254	-0.6587961	-0.2871945	-0.4434124	-0.7336685	0.025858521	0.88316596	-0.92299277	-0.5932868	-0.8686725	-0.2417496	0.24123698	0.4574108	-0.47355697	-0.82967824	-0.21602094	0.68909514	-0.3320267	0.5553327	-0.03223859	0.18711732	0.9999573	-0.26008564	-0.624129	0.06527908	-0.08057561	-0.5095193	-0.04873943	-0.9516272	-0.39831054	0.5447328	0.912171	0.56800365	-0.15209731	-0.18100615	0.25587648	0.8795684	0.34717125	0.16133885	1	0.001849397	-0.86963403	-0.405706	-0.40653422	-0.9254078	0.18094365	-0.86645937	0.277053	-0.36976793	-0.23892179	-0.6465306	0.7480217	0.5379102	0.5054228	0.33364785	0.028969854	-0.011454161	0.5312969	0.75118196	-0.9962588	-0.8388159	-0.52635175	0.8783306	-0.725661	-0.7700246	-0.37939277	-0.57193553	0.19673906	0.48556313	-0.60710925	0.3323329	-0.3798667	-0.43148813	-0.28576106	0.561519	0.04435524	0.01386397	0.11106034	0.7407918	0.3182735	0.9999989	0.15359868	-0.94403887	-0.24520805	0.99957085	-0.9877956	0.065128244	-0.9998862	0.15905657	0.40886152	-0.064308286	0.13221395	-0.45946202	0.29644644	0.570479	-0.96093196	-0.2795034	-0.83832866	-0.08323001	-0.4520537	-0.13098647	0.36546418	-0.99998176	-1	-0.90774846	0.4015744	-0.28603435	-0.43243012	0.72893643	-0.8303159	-0.59600747	0.021729404	-0.7459417	0.7537932	-0.7278858	-0.19840452	0.41437638	-0.4771335	0.3420189	0.39645788	-0.43870553	0.30082297	-0.99982005	0.65716195	0.7836667	0.14679967	-0.61588687	0.40036795	-0.9949668	0.40515223	0.037613526	0.38750404	0.45715958	0.24599937	0.7052382	-0.92785394	-0.27221397	-0.59896487	0.019207137	-0.223515	-0.67819893	0.3278056	-0.44391823	-0.38704586	-0.78308505	-0.9032205	-0.9985212	0.026226368	-0.48024184	-0.12747355	-0.3188321	0.6034885	-0.13221386	0.86756337	0.048031557	0.28472543	0.19411813	0.99166465	0.13555211	0.6623741	-0.3018488	0.6917502	0.5047795	0.99798346	0.8419188	-0.8178069	-0.2543763	-0.82043415	-0.62976193	0.8611591	-0.9973652	-0.055042937	0.6368934	0.9803476	0.7456598	-0.09947576
40	0	O=c1[nH]cnc2c1ncn2C1CCC(CO)O1	0.6055692	-0.5388131	-0.42647904	-0.32510042	0.11088501	0.39918852	-0.000667129	-0.5511608	-0.08634542	0.21149321	0.61903834	0.29066804	0.34753472	0.40165824	0.22281882	0.48633423	0.31973702	0.33850375	0.38549894	-0.40310737	0.33799177	0.112737425	-0.62868124	0.7166815	-0.2814308	-0.15716921	0.23968971	0.3463952	0.40248817	0.32256883	0.14760971	0.010824763	-0.32997787	-0.04830235	0.35346362	0.069529325	0.62749267	0.20031762	0.9716842	-0.5789066	-0.4683792	-0.022265472	-0.057669636	0.19256441	-0.070601664	-0.9645074	-0.14707276	0.5472717	0.18778521	0.2160864	-0.43808043	-0.23197539	-0.10904122	-0.07083158	-0.638101	-0.22356121	-0.13227487	0.66166097	-0.698374	0.31452644	0.003424011	0.32991236	-0.12750432	0.3759928	-0.19526187	-0.73613167	0.13139668	-0.23496434	-0.026195776	-0.304213	-0.9714759	-0.9997906	-0.45311934	-0.45926064	-0.09248385	0.7845744	-0.03421083	0.12100258	0.4046168	-0.999919	-0.47946844	-0.5553768	-0.9625105	-0.7047808	-0.1293064	0.73285	0.3895713	-0.70607084	-0.83233225	-0.20003474	0.7920908	-0.39051506	0.020244513	-0.045518834	0.9994266	-0.35990986	-0.6438742	0.57324266	-0.6827539	0.063538596	-0.47179088	0.19465637	-0.6501116	0.8194286	-0.51867265	-0.95193535	-0.7140462	0.081616476	-0.9998909	-0.117880926	-0.799507	0.14750776	-0.39380968	0.6040365	0.7637144	-0.26165602	0.2542326	-0.22581682	0.99877566	0.08994483	0.033994716	0.32954988	0.61771923	0.47374335	0.13515125	-0.3773786	-0.43004096	0.27760306	0.543546	0.94026464	-0.18824978	-0.21387772	-0.003289047	-0.1614903	0.42260998	-0.17327507	-0.74319863	0.18396476	0.38516766	-0.6011747	-0.99999493	-0.27090794	0.65831375	-0.4262746	0.30963543	0.07171629	0.47724098	0.23441255	0.58366907	0.28309113	-0.15064947	-0.5158477	-0.4992672	-0.06861424	-0.6268146	-0.10748496	-0.17274515	0.9650364	0.5363219	-0.34310284	-0.97878414	0.39616784	0.11068324	-0.3731673	-0.044863302	0.18987386	-0.84884375	-0.62365496	-0.11801042	0.413964	0.29547015	0.6462408	-0.11303879	0.04254688	-0.09372533	0.840726	0.6908293	0.87069404	-0.29506811	-0.70020396	0.025739765	-0.9846587	-0.057639096	0.36800805	0.18084098	-0.2137084	0.04676476	0.7244115	0.29375994	0.68663216	0.8839093	0.003608494	0.23989981	-0.5223158	0.002017283	-0.12256656	0.46615785	-0.38934848	0.27244312	-0.089496754	0.20350933	-0.2594023	0.27576044	-0.38379693	0.05684776	0.40924907	0.22039156	-0.066971555	-0.34062174	-0.9989242	-0.42075798	0.084897056	-0.16343647	0.16753869	0.503984	-0.1714907	0.35191494	0.52584106	-0.50621706	0.21687223	-0.35049596	-0.17866798	0.8496203	0.13915507	0.9984176	0.30566776	-0.14989614	-0.4290521	0.26147762	0.3443949	-0.8063238	-0.07658855	-0.72531825	0.09581744	-0.58761364	-0.060531415	-0.3126835	-0.37728786	-0.59466964	0.5147296	-0.8587998	-0.27593416	-0.1913168	-0.22816521	-0.6737819	0.27778262	0.16502087	0.5185046	0.5906499	-0.42912328	0.40433237	-0.71485204	-0.053646963	-0.49305803	0.24951823	0.37863478	-0.5485313	0.19666357	-0.6037349	0.40117934	0.26037872	0.021526884	0.40904036	0.56473505	0.023639573	0.6897083	-0.24050671	0.45950124	0.112424575	0.010182356	0.2797022	0.9642957	-0.30818474	0.060128603	0.66920453	0.8557034	0.8587419	0.123884596	-0.2639501	0.1799226	0.39289293	0.9993454	-0.44669735	0.6454743	-0.023545116	-0.26056206	0.17040198	-0.8979079	-0.8970159	-0.019896382	0.11943749	0.9970183	0.38965225	0.36749145	0.017186048	0.5034107	0.999999	-0.15185468	0.05581802	-0.004587979	-0.23385964	-0.002376596	-0.24203496	0.58468413	0.8130679	0.7977001	0.51536727	0.003341264	-0.20958129	0.5799774	-0.15823023	-0.89760697	0.40807247	-0.10820223	-0.3527139	0.45153946	0.2545909	-0.07132843	0.914457	-0.17829694	0.7066198	-0.47498617	0.4158369	-0.2413079	0.117058806	0.08035573	-0.562498	0.71331435	-0.026390715	-0.18484464	0.08316463	0.29223529	-0.61805534	0.29171702	-0.8155608	-0.9559351	0.49362668	0.57796806	0.011221863	-0.084354006	0.438153	-0.48549908	0.27988818	0.13623565	0.62318265	0.11515815	-0.014626498	-0.060423285	-0.34344852	0.3327535	-0.9816875	-0.55097294	0.15292488	0.0684586	0.619927	0.24500309	0.05999365	0.99943185	-0.3621013	0.7674204	-0.35575512	-0.12526084	0.83356106	0.70160794	0.72057813	-0.48592907	-0.264507	-0.009326268	0.667651	0.34938	-0.459145	-0.24161325	-0.15972555	-0.3094692	-0.37858582	-0.98932356	0.011612562	-0.41507232	-0.06377458	0.1423042	-0.11087236	-0.5425968	-0.37142366	-0.026399463	0.2640489	-0.20072995	-0.24207628	-0.86502373	-0.15163085	0.023101825	-0.29201353	-0.6277567	-0.5076499	-0.16637705	0.70903003	-0.14801991	0.47571346	0.69240916	0.42687494	0.6070099	0.8678781	0.33901936	0.3021726	0.10575309	0.31547925	-0.007612983	0.38015747	-0.42781022	-0.56799346	0.68180406	-0.27096733	0.37435547	-0.14720604	0.19811039	0.63375723	-0.032844312	0.9533795	-0.16207431	-0.9755806	-0.76410633	0.9976974	-0.565364	0.55406535	-0.9642922	-0.29860318	0.200462	-0.20052731	-0.21650565	-0.19445874	0.18234667	-0.7232903	0.9255192	-0.23067741	-0.59576225	-0.42325625	0.009619343	-0.49846256	-0.36430088	-0.99998003	0.9999995	-0.94814956	0.23597097	-0.35731417	0.67213	-0.2845006	-0.028538309	-0.62174857	-0.19076289	0.25357822	-0.43334156	0.45909545	-0.29836088	-0.6403829	0.17734998	0.25875697	-0.35646644	0.75403285	-0.8746539	-0.99994403	-0.50137675	-0.7727677	0.020491779	-0.25945863	0.16106604	0.58885956	0.7340988	0.02498	-0.19701554	-0.6263691	0.56928253	-0.4385708	0.8907767	0.83473915	0.9236716	0.07159783	-0.24461915	-0.136769	0.21344961	-0.14410503	0.5217989	0.05590452	0.90301996	-0.157688	-0.028139917	-0.41615394	-0.39544073	-0.29298243	0.19983025	-0.38498938	-0.49228913	-0.8646867	0.33573985	0.15752184	0.80906355	0.15765181	-0.17119588	-0.15104964	0.80964524	0.02413206	0.999965	0.16015613	0.37824646	0.23806207	0.061899886	0.22136854	0.85851115	-0.96511495	0.04032801	-0.7757882	-0.869324	-0.60007936	0.6797137
41	0	O=C(c1ccc(O)cc1O)c1ccc(O)cc1O	-0.10755595	-0.16288768	-0.06810666	-0.3869837	0.62892294	-0.15286537	-0.59248126	-0.4391551	-0.06912219	0.27203986	-0.6032014	0.05314202	0.38772196	-0.59235924	-0.10112807	0.7287112	-0.48071662	0.3038686	-0.036939505	-0.23383348	0.19143936	-0.7666656	0.5110955	0.39419034	-0.055883035	0.41865653	0.41880807	-0.30831355	0.5959061	0.19652463	-0.50739974	-0.4032939	-0.56148875	-0.32989886	0.14152399	-0.5768718	0.37289047	0.24045186	0.9847714	-0.6714239	-0.3954479	0.2942952	-0.27965117	-0.27202737	0.42531863	-0.94728386	0.1963699	-0.4952675	0.7606824	0.5826845	0.5758404	-0.17550956	-0.025387375	-0.2902061	-0.54841006	-0.34003058	-0.6781283	0.5516778	0.47327504	0.573222	-0.4345675	-0.18872738	-0.49134338	-0.65203786	0.01794883	0.3446615	-0.6571236	-0.050998677	0.07447318	-0.33610508	-0.48129022	-0.9893438	0.30438438	-0.37993628	0.4974199	0.39928192	-0.67060167	0.000649766	-0.11652866	-0.983742	-0.9929004	0.029377552	-0.9028802	-0.085506134	0.1120658	0.04604536	-0.06988125	-0.66020495	-0.2316024	-0.24347353	-0.11583385	0.5829637	0.07613847	-0.042574137	0.9964184	-0.23427436	-0.543745	-0.31428838	0.07277872	0.12030633	-0.37255833	0.38103423	0.142596	0.77318704	-0.7996455	-0.5468591	0.38718447	0.050945465	-0.9999997	-0.15023862	-0.59376836	-0.58150256	-0.8963456	-0.3315082	0.57126564	0.7549413	0.39668337	0.3086092	0.99817616	-0.26691425	-0.4828475	-0.44038478	-0.6210372	0.23319669	-0.85469675	-0.19577445	-0.3346377	0.15235966	-0.12249246	0.99111134	0.09080933	-0.008496835	-0.1444372	-0.03807449	-0.7967999	0.84818137	0.48992163	0.7675637	-0.72937	-0.6432125	-0.99968284	0.41580176	0.82645494	0.15380134	0.25288767	-0.24459927	0.13477181	-0.35504442	0.23039575	-0.25469068	0.28942466	-0.93233484	0.22565445	-0.15173668	0.091838434	-0.12960657	-0.12948945	0.9262795	-0.81303895	0.023645159	-0.97974324	0.33740374	0.26175386	-0.29806888	0.14694569	0.5557748	-0.20847104	0.3400342	0.05875031	0.11601641	0.023206852	-0.09581794	-0.103660986	-0.20047021	-0.060588308	-0.92240924	-0.8602429	0.39815846	-0.48062655	-0.11910332	0.40102512	-0.9694085	-0.22974935	0.2877464	0.28028882	-0.35025156	-0.36773717	0.31767294	-0.71225905	-0.0587131	0.87970454	0.14530371	0.119546056	-0.12690312	-0.039696585	-0.86036104	0.34649998	0.9406058	-0.17001536	-0.2758607	-0.69414264	-0.2807313	-0.4173118	0.5168347	0.4234634	0.032677144	0.57773614	0.35020834	0.25989625	-0.9996459	-0.39758646	0.15458478	0.21253091	-0.27293283	0.18817885	-0.27782753	0.21133012	0.36103684	-0.40879798	-0.18869084	-0.43516946	-0.3234225	-0.08897828	-0.003484892	1	0.08907836	-0.24890743	0.81177783	-0.013534335	0.43097246	-0.6328651	-0.40354636	0.38602135	-0.44949844	-0.2646011	-0.36376426	-0.51336956	-0.27899864	0.43405265	0.51323944	0.7834749	0.4176094	0.366401	-0.74938035	0.6019258	0.46156225	0.5739734	0.39922178	-0.1399546	-0.5199854	-0.5235441	-0.96888435	-0.27844483	0.693105	0.3665427	-0.7231075	0.12638402	0.44394705	0.59342384	0.5852948	-0.22336002	0.61555034	0.17677936	-0.07647144	0.44619894	0.025776118	0.21453041	-0.01149639	-0.99092513	0.52565914	-0.28092673	0.91154003	0.5499415	-0.278678	0.25846457	0.8636384	-0.33092022	0.5595914	0.28390825	0.11809352	0.51052094	0.9987335	-0.116803534	0.21624026	-0.000324052	-0.48610148	-0.17659374	-0.9788041	-0.96769345	0.11263915	-0.1141808	0.99397135	0.056131493	0.29213342	-0.11748953	0.072750196	0.99992675	-0.66412944	0.30335474	0.25704136	0.65207773	-0.19558649	-0.70623714	0.55240124	-0.09955056	-0.9122124	0.25069594	0.13586581	0.31220645	0.26957598	0.49836755	-0.61628896	-0.073712915	-0.13425225	-0.32517236	-0.5764219	-0.20145912	-0.5479573	0.99999833	0.47206813	0.001690639	0.08603722	0.06994258	-0.8099392	-0.44250995	-0.11234532	-0.10078656	-0.27396592	0.22040807	-0.32027277	0.25842232	0.03386812	-0.0884926	-0.29354873	0.38622987	-0.69025624	0.248837	-0.26603788	-0.5890409	-0.29770124	-0.33913913	0.3505978	-0.34723216	0.21185185	-0.12609872	0.19245288	-0.2535157	-0.8365949	-0.2992937	0.31855538	-0.96975243	-0.27401698	-0.34311983	-0.2730402	-0.0628965	0.3649173	-0.25202492	0.9997299	0.074388064	0.90056473	0.070990235	0.4242499	0.31931803	0.12010361	-0.5976049	0.033471096	-0.3226597	0.2207808	0.4529014	-0.04928733	0.16169119	0.32014495	0.6128743	0.7193639	-0.097533844	0.9945579	0.75545186	0.48779422	-0.04594314	0.18596688	-0.67862123	-0.16897763	-0.720025	-0.5734711	-0.15892844	-0.59856504	0.41494724	0.020499049	0.20342343	0.75670946	0.22147653	0.5670022	-0.4185801	0.3074831	-0.31105384	-0.4986632	-0.28881937	0.74447113	0.6150093	0.53707516	0.6103079	-0.12572812	-0.16384454	0.04247726	0.07301968	0.24433035	-0.73887545	-0.52269226	0.44883138	-0.16266116	-0.2091648	0.6409072	-0.16687658	0.0910101	0.80016637	-0.27175647	-0.9992184	0.27399608	-0.99407744	-0.3963537	0.99909115	-0.57976973	-0.34175077	0.22252099	-0.08447048	0.72633463	0.62993455	-0.2073386	-0.30944756	-0.008531213	-0.08350201	0.08452093	0.070016064	0.47835046	-0.6771435	-0.44046962	-0.25896907	0.08891803	-0.9999669	0.98933196	-0.92940724	0.32310462	-0.31728053	0.9588552	0.099376515	-0.89577675	-0.7121614	-0.1549925	-0.46945137	0.3501226	-0.8665557	-0.3496932	-0.6253146	0.08244824	0.6910337	-0.059685964	-0.17430902	-0.7160663	-0.999913	-0.7442054	-0.32263008	-0.06956972	-0.03598297	-0.24837194	-0.16594599	0.6880515	-0.8359654	0.09998935	0.029881617	-0.067272305	-0.5341399	0.96591413	-0.34415668	-0.73655236	0.742281	0.56058174	-0.37948728	-0.94360244	-0.31149104	-0.33933207	-0.2851309	0.84761655	-0.82513654	-0.001999609	-0.38509443	-0.3212225	0.015771283	-0.78447974	0.1144918	0.7019334	-0.5983209	0.25867882	0.20049083	0.9185283	-0.003866401	-0.27550715	0.3654991	0.088058606	0.014740254	0.9997971	0.11169573	0.030635117	-0.710768	0.3829272	0.34774527	-0.69564724	-0.9622998	-0.11328633	0.25124076	-0.70869815	-0.049155947	-0.49289295
42	0	Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1	-0.58090764	-0.22228384	-0.07400047	0.44844985	0.17088604	-0.61972016	-0.78492373	-0.52704746	0.5562204	-0.66430473	-0.6321255	-0.18999563	-0.29895595	-0.05904347	0.66170347	-0.05959919	-0.64237803	-0.20930481	0.29813024	0.30593595	0.32888266	-0.3260334	0.43644145	0.11772677	0.05324482	0.30429357	0.033419583	0.40755603	0.7939173	-0.5400145	0.13611	-0.13508469	-0.2731309	0.81526273	0.14627263	0.21968895	-0.29450968	0.7769564	0.9916082	-0.8825316	-0.8044752	0.18538703	0.000735695	-0.085466705	0.30557925	-0.911616	0.051646575	-0.27444395	0.9868493	0.07248309	0.004262942	0.18305239	-0.33077016	-0.27562615	-0.9159014	-0.07087606	-0.6637637	0.34668064	0.10974921	0.12611246	0.03203814	-0.4263372	0.3757054	0.18137053	0.27915573	0.5925494	-0.717441	0.12630637	0.11599852	0.5394347	0.10690071	-0.38147756	0.26829246	0.075779684	0.9402536	-0.59103054	0.28823063	-0.09280326	-0.09986637	-0.9948058	-0.90825903	0.33159137	-0.7816446	-0.3831532	-0.06821606	-0.88643676	0.06762138	-0.40201655	-0.70697886	-0.31099626	-0.015621607	0.5142727	0.4129173	0.35276318	0.69681174	-0.18895516	0.56886554	0.32717556	0.38590214	-0.15891692	0.20113058	-0.18717068	-0.14897165	0.7910804	-0.9391582	0.46968028	-0.48155266	0.73959666	-0.99904364	-0.009412468	-0.4685543	-0.48177338	-0.4873648	-0.5070158	-0.5741388	0.47584966	-0.019784015	0.80555475	0.99762934	-0.027393589	-0.36246157	0.31238145	0.2639572	0.03855405	-0.8029989	0.8226858	0.37865892	-0.5174396	-0.03423258	0.9999476	-0.32841438	-0.075351335	0.2090007	-0.22661935	0.083143234	-0.20801128	0.5860846	0.80155283	-0.6196372	-0.3244208	-0.9999778	0.043798376	0.984193	0.06913581	0.5658315	-0.6237744	-0.3837486	-0.5875622	-0.24661131	-0.12959637	-0.3176958	-0.637082	0.64730674	-0.36451966	0.048447046	0.09245631	-0.08618675	0.8322793	-0.8624736	0.22620481	-0.93632543	-0.23401754	0.28738216	-0.16787714	0.68883604	0.53092766	0.16263881	0.24730143	-0.19905455	-0.27897382	-0.67170316	0.39414573	0.0966153	0.21933798	-0.015427546	-0.973438	-0.8087836	0.23766227	-0.19885425	-0.089410044	0.027424142	0.33919004	-0.28511927	0.7008319	0.066619866	-0.12879558	0.7449161	0.6663163	0.07520571	-0.2473785	0.3432697	-0.05486116	0.03069755	0.49203932	-0.42740875	-0.22349808	0.4453559	0.51476437	0.64283663	0.3881939	-0.6025255	-0.37029982	-0.6718907	0.30873454	0.15943898	-0.6315196	0.5235544	-0.22296558	0.32839373	-0.99972844	-0.59871835	0.5295626	0.17923234	0.124505855	0.005179225	-0.2907189	-0.20126915	-0.043309566	-0.41759768	-0.20882557	-0.25505072	0.2543419	-0.38792807	-0.4213518	0.9998147	0.43693703	0.3937307	0.31957236	0.18351218	0.43824527	-0.34932524	-0.6255247	0.6732369	-0.0950628	0.10547367	-0.39328855	-0.8263855	0.36468348	-0.12742516	0.5655223	0.7862209	-0.19668965	0.111308016	-0.099934936	0.27758187	0.25389838	0.5271533	0.044014335	-0.12659405	-0.7851691	-0.57611066	-0.9771196	-0.72203606	0.6972734	0.44516933	-0.5690689	0.44885683	-0.10682922	0.4984949	0.42027062	-0.35667613	0.47673506	0.6140262	-0.34090862	-0.011908019	-0.31395185	-0.065994814	-0.024166023	-0.5103393	0.6271471	-0.5580661	0.9678688	0.3322905	-0.7462134	-0.73759294	0.90426874	0.22381285	0.10471921	-0.17245272	-0.58283466	0.58323306	0.99866414	0.25612825	0.64576304	0.1358415	-0.19246168	-0.6105713	0.058471262	-0.6917805	-0.49336854	0.5259413	0.98753786	0.17365167	0.586952	-0.40611634	-0.7635963	0.9999727	-0.99649566	0.28774866	0.5279303	0.00113895	-0.65850466	-0.56022006	0.42137387	-0.46973902	-0.9372207	-0.11086111	0.29973185	0.5918432	-0.10693366	0.15932178	-0.036403198	-0.28247312	-0.40297708	0.8403393	-0.72031724	-0.15563516	-0.08343955	0.94318825	0.33915004	-0.06707985	-0.34563488	0.48458686	-0.69095546	-0.5244499	-0.6636801	0.62042606	-0.9370733	0.5233202	0.22230022	-0.06536112	-0.6110081	-0.115599915	-0.13548543	-0.52194387	0.89657444	0.18208827	0.0683697	-0.39559558	0.4484551	0.09123422	-0.5845934	0.10908869	-0.12025572	0.17141332	0.017868504	-0.59419066	-0.78657323	-0.6776615	-0.14580049	-0.9770043	-0.17296934	-0.749057	-0.015704457	-0.047332432	-0.23016739	0.14156702	0.9998823	-0.020092983	0.6379043	-0.19294314	-0.52080387	0.23877597	0.2869196	-0.9018688	-0.20768315	0.54151237	0.07981773	-0.38610777	0.17341188	0.001343008	0.25251192	0.51188713	0.59526414	0.5820953	0.99714947	0.14056014	-0.055029113	-0.3745577	0.5144466	-0.698658	0.565217	-0.56381184	-0.76828754	-0.8292009	-0.27359003	0.63464624	0.69833255	0.063910946	0.39487532	-0.15297829	0.6770071	-0.2951746	0.59494704	0.0319233	-0.40229422	-0.72326696	-0.5583603	0.644258	-0.5423622	-0.7459249	0.26468697	-0.10769659	0.13085397	-0.3008022	-0.25161362	-0.5741311	-0.4749287	0.3557581	0.6746597	0.45774245	0.42896166	0.17951393	0.5405276	0.35559997	-0.05042243	0.86620337	0.049156107	-0.9852111	0.79258955	0.9993464	-0.7647908	-0.7662288	-0.9564832	-0.10398788	0.3507388	0.48258185	-0.4515585	-0.14347412	0.1908195	0.09574464	-0.7346608	-0.40089312	-0.48418713	0.102203175	-0.000275576	0.33199862	-0.07416514	-0.99999213	0.9923477	-0.9156535	0.17053455	-0.5936943	0.19399026	0.55425817	-0.9103335	-0.74512106	0.3155802	-0.5477627	-0.2097675	-0.8433655	-0.35345617	0.2664749	-0.75759125	0.56142545	0.43573123	-0.16139494	-0.3303741	-0.9999267	-0.33669087	-0.09878449	-0.07706089	0.3984804	0.08378886	-0.98680454	-0.048198603	-0.8117631	0.003513154	-0.05466432	0.08225295	-0.4574839	0.928555	-0.52733094	-0.38417226	0.33779192	0.50552696	0.2764775	-0.8398719	-0.7923328	0.63649833	-0.5086502	-0.6443172	-0.98365515	-0.047477625	0.17202105	0.006186681	0.13188419	-0.37307394	0.13069504	0.68383604	-0.7012543	-0.379555	-0.025206083	0.91785544	0.074843295	0.23329349	-0.3294994	0.25902894	0.63257664	0.9997132	0.75001943	-0.3184437	-0.735306	0.20762344	0.27055514	0.3436995	-0.97823066	-0.2951625	0.7216858	-0.17996779	0.03669077	-0.03207416
43	0	N#CC(Br)(Br)C(N)=O	-0.72753185	0.1287509	-0.4665242	-0.17227964	0.24582191	-0.25747892	-0.27969453	-0.4417504	0.48530924	-0.39980444	-0.04464313	-0.13897365	0.22135536	0.2532149	0.4152511	-0.0964744	-0.2920874	0.39358544	0.068101294	0.16347675	0.88242316	-0.7521863	0.1817259	-0.6576247	0.59736973	0.3531862	-0.053108748	0.3961593	0.46327832	0.15455171	0.3342758	0.68906045	0.6371108	-0.001902024	0.41894174	-0.58993924	0.5153845	0.7560143	-0.60279554	-0.79439986	-0.9806764	-0.355617	0.10046786	-0.2410862	0.7502249	-0.99704224	0.5002782	0.57094556	0.98282665	-0.114117555	-0.47226933	0.33911452	-0.5064541	-0.1911742	-0.9495747	-0.33335626	-0.5133584	0.94169945	0.3825214	-0.23856558	0.233588	-0.35472694	-0.18733558	-0.009879551	-0.37835225	0.50784063	0.36972433	0.18972011	-0.117676675	0.17448515	0.13761428	-0.9988935	-0.12672806	0.86006606	-0.16770865	0.294328	0.3856228	-0.28731486	-0.5884592	-0.9995307	-0.49780402	-0.43775767	-0.2623909	0.16625054	-0.4205842	0.94991535	0.77604306	-0.101443805	-0.5736786	-0.032115404	0.07672983	0.35326976	-0.27866435	0.055043507	0.99047834	0.38025352	-0.8336889	-0.061564513	0.23869306	0.33718947	0.55899245	-0.4258144	0.44467896	-0.9104292	0.9749475	-0.30446163	0.21329361	-0.23165318	-0.9250616	-0.24833679	-0.3629426	-0.10935573	-0.4048279	0.17097795	0.4900605	-0.13999699	-0.024180025	-0.48337457	0.9996192	-0.23161338	-0.038502775	-0.08907955	0.062334236	0.28716156	-0.037132192	0.13369143	-0.79027003	0.26603493	-0.14734776	0.9683649	-0.113830805	-0.78683877	0.27864712	-0.46832058	0.19655026	-0.48227522	-0.18822499	-0.5391251	-0.23059359	-0.5554293	0.9989063	-0.5382139	0.95782024	-0.07744967	0.27143994	0.71067303	-0.010210685	0.2511348	0.9964262	0.08773417	-0.16641614	-0.18198176	-0.39488214	-0.361494	0.57131207	-0.11495686	0.029205257	0.99961984	-0.5478489	-0.43003526	-0.9922964	-0.5957216	0.60723424	0.003834161	0.61558217	0.06421535	-0.15014757	0.32951966	-0.34056786	0.2531576	-0.6368596	0.079151236	-0.7387628	0.003648969	0.688274	-0.86780816	-0.75627464	0.03783112	0.29857397	-0.25366667	0.34716576	-0.9868644	-0.10695057	-0.72305787	-0.7131627	0.54984474	0.18444565	0.33869115	0.109656885	-0.3321784	0.54304564	-0.30531174	-0.15292321	0.057287313	0.48993436	-0.12513034	0.4964349	0.68744844	-0.5911862	-0.15379672	-0.831789	0.03003343	-0.04949124	-0.31488135	-0.38577875	0.10071532	-0.1765787	0.7890276	0.040198684	-0.65592563	0.49653518	0.29193965	0.7194499	-0.6246569	-0.1749099	0.39016342	0.065313086	-0.4136445	0.2741299	0.11000983	0.196007	-0.32209265	0.54443854	0.14037243	0.9972454	-0.04765105	0.27683595	0.10713047	0.45227668	-0.57839745	-0.20706555	-0.09391056	0.45924944	-0.77572095	0.16608249	-0.60813725	-0.07497921	0.17820545	-0.12814741	-0.45693594	0.7670835	0.087053046	0.11049408	0.24815199	-0.56167185	0.029656237	0.37029502	-0.18999545	0.06411204	-0.09505606	0.5941388	-0.99984163	-0.19056293	0.30542493	-0.6287047	0.48158816	0.6876556	-0.24996491	0.17398468	0.15639994	-0.5643438	0.3140817	-0.34907007	-0.4386763	0.3421407	-0.32422692	0.6192671	0.73760635	0.60233104	0.3583449	-0.6580675	0.4268097	0.4042115	0.16781186	-0.05532982	0.9252206	0.26604813	-0.40253	0.3866667	-0.09913394	0.2643576	0.99912024	-0.17317873	0.05986509	-0.30951738	-0.53313166	-0.7894241	-0.63612175	-0.89576006	-0.22671373	0.38561806	0.99968135	-0.6469129	0.87198234	0.35681638	-0.5781287	-0.99863744	-0.17505299	-0.17913522	0.11679148	-0.18491818	-0.08144404	-0.06426354	0.20693225	0.084546454	0.52976036	0.9995884	0.3513385	-0.5919483	0.46022937	0.3415292	-0.008635068	0.1550619	-0.49254727	-0.20005293	0.69322366	0.18072124	0.36103314	-0.96256626	-0.12602343	0.030800149	0.23079665	-0.17410745	0.15635669	-0.31880975	-0.5846458	0.32602775	-0.7843539	-0.11937144	0.27819493	-0.14572391	0.1612458	0.3042624	0.7932274	-0.23307687	-0.73247516	-0.5546321	-0.5979938	-0.5880476	0.019460235	-0.22243722	-0.15272707	0.11499585	0.10202939	-0.04591609	0.03648786	-0.35270524	0.6507804	-0.19138163	0.9786988	-0.99255085	0.056296848	0.1852141	0.27409604	0.081160754	0.67392635	-0.48042744	0.9920926	-0.11764276	0.68900424	-0.14024918	0.19647966	0.23428714	0.18385303	0.07293124	-0.005576933	-0.029308166	0.45011458	-0.29298943	0.2768532	0.29985404	-0.077159055	0.522764	0.9142389	0.06142745	1	-0.037854295	-0.01935102	0.6494382	0.08517579	-0.96355194	0.31013578	0.10658222	-0.59654266	0.60805583	-0.010336521	-0.52677757	0.7545401	-0.26068664	0.2398088	0.04270365	-0.6512692	0.7926481	0.57196045	0.12847336	-0.73542905	0.21671079	0.8851701	0.77217674	0.5577674	-0.66075546	0.054497197	-0.09955901	-0.2777704	-0.7433133	-0.13843398	-0.76568586	0.26861534	0.1865498	0.16645414	0.82053983	0.03541561	-0.19816853	0.0606875	-0.28340757	0.56723046	0.99993527	0.055592213	-0.84755874	-0.08796488	0.9983435	-0.5550316	0.27022785	-0.99805355	-0.6308421	0.7125015	0.53814477	0.3994571	-0.73083234	-0.577922	0.06511221	0.7419765	0.36833498	-0.15052448	-0.7789384	-0.538059	-0.237859	-0.010329823	-0.99995315	-1	-0.9990623	-0.08331639	-0.56355804	-0.06500868	-0.11093271	-0.21668285	-0.7566579	-0.23068336	0.25983074	0.49220484	-0.3196852	0.21578248	-0.12867731	0.037490398	-0.3400762	0.119931884	-0.7221044	-0.99584466	-0.9999237	-0.26715314	0.026680343	0.085103765	-0.56047434	0.24616605	-0.24787419	-0.28734434	0.7351602	0.7944538	0.18814096	0.58125615	0.640748	-0.9712624	-0.20168015	0.79922754	0.12343202	-0.30149782	0.08115024	-0.024625259	-0.8496084	0.2872484	-0.29177994	0.848545	-0.8085397	-0.15939005	-0.027751656	-0.1122801	0.38047192	0.32295588	-0.32307813	0.57557553	0.6251755	0.005939071	0.107392795	-0.9859879	0.50530183	0.75961983	-0.083022654	0.2981844	0.26835638	0.999917	-0.10941112	-0.4820835	0.37717214	0.4527535	0.68969136	0.46928957	0.72114664	-0.52041113	-0.25742555	0.20912564	0.7696259	0.298362
44	0	Cc1ccc(C)c(O)c1C	-0.5444119	-0.5380778	0.28080323	-0.000609659	0.07662026	0.028253036	-0.56901455	-0.5690038	-0.13593613	0.5925577	-0.8223538	-0.5482852	0.43419862	-0.6610572	-0.07126328	-0.41046712	-0.053179648	-0.6035992	0.44043487	-0.3874616	0.20021753	-0.89471835	0.60409313	0.006014681	-0.13623643	0.63784415	0.5687497	0.08154996	0.44158036	0.1308449	-0.7292189	0.58616465	0.29220954	-0.025293637	-0.040105484	0.17388752	0.44270226	0.48961607	-0.47999704	-0.9421053	-0.9912705	-0.7050117	-0.11471832	-0.2437459	0.65531313	-0.9964491	-0.11707046	0.22265849	0.95305234	-0.113613054	0.28127992	-0.009522355	0.20729835	0.44666767	-0.9426539	-0.1200542	-0.6947129	0.9584794	0.1194498	0.3881372	-0.67598236	0.025633084	0.17370535	-0.21312542	-0.015999513	0.41259104	0.13576852	0.5787496	0.41721442	0.41824037	0.72866124	-0.98163587	-0.5276316	0.2255617	0.740872	0.04452467	0.13676473	-0.13974175	0.053467207	-0.99467486	-0.78717613	0.36479238	-0.846962	-0.015610839	-0.18462422	0.29217026	0.28808078	-0.6938413	0.3389858	0.28701058	0.49265647	-0.30309957	0.22507732	0.106107846	-0.048836216	0.06579301	0.2039937	-0.12154072	0.686158	-0.2943558	0.13120113	0.0662479	0.004996899	-0.87079686	0.9741931	0.21333091	-0.1291737	0.33911735	-0.881392	0.08346974	-0.017558536	-0.20429109	0.18385138	-0.40956807	0.22164953	0.59679204	0.56938297	0.075245954	0.9991106	-0.22774827	-0.046556	-0.19845493	-0.11705931	-0.29952034	-0.21985121	-0.027129645	0.04465448	-0.1531211	-0.2778789	0.99909717	-0.39116693	-0.13126796	-0.22400483	-0.56293786	-0.3541885	-0.35652357	0.6234835	0.3558815	-0.8057346	-0.22792895	-0.9954179	0.31141764	0.99640447	0.57099116	-0.5998507	0.6411068	0.21298598	0.24688683	0.9965849	-0.1679522	0.02467958	-0.7955555	-0.068672515	0.018457545	0.17655995	-0.4542408	-0.582174	0.99929744	-0.66402817	-0.5878645	-0.99344903	-0.20243134	0.081501536	0.03333966	0.039511256	0.27494493	0.7746702	0.19950561	0.3660081	0.14510591	-0.6681648	-0.64162815	0.22222164	-0.48995024	-0.30819395	-0.9713023	-0.84611094	-0.5315207	-0.56996936	-0.09262799	0.41035908	0.4623026	-0.04996634	-0.32567227	-0.9024185	-0.56979126	0.22652091	0.16581097	-0.34507462	-0.51141226	0.91556484	0.32944578	0.20683014	0.37474936	0.22974338	-0.53441703	0.044831768	-0.2675734	-0.23910803	-0.19896467	-0.564868	0.23868124	-0.22577207	-0.003404876	-0.05944746	-0.19414529	0.25229967	0.17125644	-0.4775464	-0.5473055	0.10315124	0.21566531	0.12056552	-0.29742524	0.298573	-0.12879877	0.31890145	0.12156291	-0.27437934	0.4034033	-0.001067912	-0.2740734	-0.16450988	-0.34468147	0.99742687	0.49962923	-0.14791833	0.28989348	0.07241374	-0.5617125	-0.14600854	-0.25213942	0.58581626	-0.18995138	-0.5970363	-0.56238246	-0.37382573	0.29617906	-0.14383826	0.52902204	0.94013196	0.068310365	-0.1841073	-0.7499856	0.54138213	0.004233618	-0.2760408	0.69853944	-0.26564762	-0.45029613	-0.3026157	-0.9982257	0.054165557	-0.15868992	-0.045074653	-0.37705016	0.35737744	-0.15835194	0.18767418	0.2546309	-0.72248125	0.37762108	-0.057005	-0.5235067	0.25015563	0.091211244	-0.02766704	0.11768735	-0.68779063	0.6573045	-0.112916335	-0.42146736	0.30211973	0.4454303	-0.09907477	-0.21794233	-0.63630426	0.2628879	0.15791044	-0.2674103	0.15713026	0.99930334	-0.106055595	0.5120006	-0.15774646	-0.21642673	-0.5437136	-0.16302602	0.59037787	0.1935704	-0.41069475	0.9994118	0.008213956	0.8957904	-0.29237893	-0.045635115	0.997148	-0.9295319	0.40278593	-0.20760147	0.041435868	-0.21603705	-0.003259885	-0.5470534	-0.10440135	-0.8458417	0.9990377	0.23964249	-0.7622077	0.13576235	0.24272162	-0.19486053	0.05038442	0.31908253	0.8925697	-0.38950372	0.5211045	0.033425633	-0.98198515	-0.005326281	0.03487718	0.49299788	-0.24972472	-0.592317	-0.32397872	0.30854967	0.2352548	-0.91255337	-0.34998524	0.089649424	-0.08442438	-0.2530706	0.5430923	-0.014595127	-0.23485652	0.16125399	-0.023837961	0.004302472	0.025732638	0.27748933	-0.16731052	-0.48897737	0.45775923	0.3954973	-0.15893616	0.42615622	-0.4466215	-0.36014822	0.42653713	0.96405774	-0.9956562	-0.26817387	-0.56804055	-0.32543278	0.42849442	-0.056919597	0.12431976	0.9893337	-0.45051533	-0.5130235	-0.11563731	0.4908266	-0.45254326	-0.5391311	-0.7606205	0.041254114	0.5660271	0.010484116	-0.27902344	-0.28646538	0.31262589	0.37541032	0.48106986	0.9586651	-0.3104145	1	0.19716701	-0.35864684	0.11309305	-0.33614224	-0.9534178	-0.13728124	-0.37208423	-0.5898027	-0.6648457	-0.29177386	0.0458202	0.06396211	-0.14027336	0.85226256	0.32632685	0.6670818	0.13430837	0.30748862	-0.2578808	-0.6141534	0.15061542	0.21331649	0.9221653	0.35098302	-0.97311145	0.029383158	0.07599172	-0.14096601	0.4177278	-0.58365136	-0.56404835	-0.62391526	-0.21772717	-0.13735668	0.5659505	0.4047972	-0.0005078	-0.49234325	0.08420352	-0.008643694	0.9999532	0.18625744	-0.9962215	0.11091596	0.9982996	-0.014065409	-0.33359578	-0.9978275	-0.652804	0.7610438	0.6300908	-0.27531478	-0.6254639	0.31434655	0.49579287	0.15108068	-0.06093053	-0.6697015	-0.3420267	0.26797494	0.57678896	0.11365379	-0.99990416	-0.9997202	-0.99685556	0.13975656	-0.02223609	-0.09131087	-0.12903763	-0.6711143	-0.83858186	0.27778357	0.098058544	-0.19907576	-0.8367601	-0.6319864	0.19301076	-0.20766202	0.27860638	-0.06470043	-0.54876876	-0.9931259	-0.999883	-0.42022294	-0.013025968	-0.07638445	0.20071755	0.033317048	-0.99187446	-0.013288579	-0.26108965	-0.108749494	0.59231794	-0.003029516	-0.5937757	0.9677979	0.14799638	0.73179895	-0.19045354	0.83084154	-0.04226164	-0.79026335	0.1444837	-0.079972334	-0.5747875	0.1813459	0.13008878	-0.17716709	-0.5473721	0.070755765	0.089782715	-0.3130077	0.24307214	0.57364553	-0.30820432	0.003490583	0.01251894	-0.9589261	0.13149561	0.24679832	0.14070088	0.3292921	0.2305795	0.99931675	0.35125476	-0.11983388	-0.18462104	0.6045377	0.4428919	-0.35966504	0.8563577	-0.3408539	0.06428861	0.2675123	0.806537	-0.059019584
45	1	Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]	-0.3426934	-0.22659981	0.066724	-0.31230748	-0.5827506	-0.46408927	-0.6526519	0.22240299	0.5215505	0.5216865	0.32691526	0.36586916	0.07669999	0.34117532	-0.24750316	0.279115	-0.21479377	0.36887014	-0.3003409	0.6006265	0.88889205	-0.52977204	0.2053859	0.3601313	-0.44730935	0.13576695	0.4630129	0.23822097	-0.5552686	-0.61907583	-0.011199854	0.33424115	-0.44876176	0.2994166	0.35519344	-0.54135925	0.5923847	0.5440883	0.7379211	-0.49573213	-0.996324	-0.5546217	0.25671354	-0.3013948	-0.50479317	-0.99560183	0.18696964	0.57027537	0.9799843	-0.37599576	0.007714348	-0.012909331	-0.45078	0.4420276	-0.8855843	0.10604641	-0.76074004	0.8168378	0.071592815	0.44791263	-0.29502007	0.5068332	-0.22993156	-0.45299068	0.20989959	0.6243937	0.77502066	0.4109791	0.15554534	0.23317537	0.7296288	-0.9967039	0.11644801	0.11498358	-0.68924224	0.17392614	-0.16883872	0.21036221	0.0544159	-0.9992488	0.5571247	-0.21892716	-0.94503087	-0.59441197	-0.22156544	0.68473893	0.1272496	0.2690427	-0.846112	-0.07194214	-0.2274517	0.06868654	0.2090308	-0.14992729	0.9973209	-0.54758364	-0.2478579	-0.4961721	0.82471114	-0.29814273	0.71014595	-0.22792041	0.2736802	-0.8292554	0.622065	-0.8339416	-0.23823373	-0.09817494	0.9971373	0.2842372	0.16553468	-0.110821344	-0.6116718	0.067168266	0.32213336	-0.24560905	0.3302169	-0.24083813	0.99977267	-0.6928372	0.17483652	-0.32650542	-0.15134586	-0.4921235	-0.37547836	-0.29490668	-0.12378724	-0.5710428	0.358235	0.9908215	0.01800326	0.3384595	-0.3391515	0.26598787	0.2213889	-0.9580073	0.7011424	-0.31071374	-0.80608183	-0.3406847	-0.9877764	-0.272563	0.7057425	0.056862134	-0.111965016	0.69525105	0.46533445	-0.09043317	0.9806593	0.40290532	-0.27872816	-0.2709916	-0.6137208	-0.12226061	0.015417572	-0.25644857	-0.25648287	0.9968689	-0.60911566	-0.9495461	-0.99377334	-0.34546283	0.15242186	-0.3268669	0.07353649	0.6740441	-0.13409157	0.5723801	-0.24936135	0.4999021	-0.7018883	-0.4104809	-0.137283	-0.23604329	0.6854091	-0.9337899	-0.8545118	-0.089670464	-0.22595797	-0.098786436	0.45665622	-0.9992627	-0.32423687	-0.4948156	-0.6641198	-0.40240473	-0.30369014	0.39391294	-0.66250795	-0.6628113	0.7647621	0.69084054	0.2668932	0.2400958	-0.25412792	0.34262574	0.5615967	0.96005183	-0.47438663	0.5003731	-0.113201104	0.2917884	-0.07674668	0.13382928	-0.7763524	-0.5221406	0.57228965	0.38479632	-0.18665913	-0.96727747	-0.09296797	0.11904614	-0.3003181	-0.045496155	0.103845246	0.6556874	0.83968663	0.3581516	-0.18696487	-0.045105256	0.33621812	-0.13437057	0.24134615	-0.27668688	-0.9476362	0.44291994	-0.023503125	0.4071085	0.42945716	-0.7007018	-0.22423083	0.42466366	0.38671112	-0.71772766	-0.69229394	0.025393853	-0.011564783	-0.27997816	0.058587175	-0.003700275	0.22626278	0.08190799	0.6099602	-0.15729773	0.3750389	-0.06624408	-0.23084228	0.7304836	-0.25729823	-0.37662223	0.11269981	-0.9985922	-0.05915149	-0.34063786	-0.031170199	-0.07783396	-0.052485608	-0.011643728	0.08764566	-0.09646106	-0.85790133	0.6145155	-0.0785184	-0.085545525	-0.089251965	0.35434496	0.17393231	0.34378085	0.80556357	0.6053758	0.2795974	-0.5478278	0.5294054	0.12103906	0.28244817	0.6497481	-0.27351555	-0.26649988	-0.5738499	0.35472587	0.2830872	0.9995731	-0.4711393	0.39184391	-0.16227348	0.36280295	-0.3598743	0.32195073	0.94609845	-0.21846025	0.050109956	0.9992912	0.4055057	0.9176882	-0.08706359	-0.31608847	0.99871176	-0.49265718	-0.431336	0.42972046	0.24229617	0.8704953	-0.6688563	0.5929253	-0.030915122	-0.41603053	0.98723423	-0.27621648	-0.6247004	0.2502491	-0.03575211	0.04291674	0.69865006	-0.259429	-0.95115066	0.2888961	0.6272322	0.46612546	-0.9999945	0.26243097	0.050884884	0.42798442	-0.16928442	-0.71828055	-0.21912053	-0.26898378	0.43420258	-0.83937865	-0.5584076	0.103405304	0.41066742	-0.19560698	0.1724592	-0.48079	-0.41104883	-0.8684375	-0.39474967	0.31069875	-0.5351365	0.3371168	0.5419096	0.25560546	-0.6518848	0.28496733	0.08909193	0.20485109	0.5405266	-0.6476248	0.22013734	0.8477151	-0.9931709	0.42845654	-0.73578686	0.14633313	-0.06079672	0.0476661	0.12096542	0.99899113	-0.007076728	0.21818827	0.31290263	0.48482412	0.10869634	-0.48127353	-0.09598178	0.5410916	-0.081061326	-0.23206112	-0.41929623	0.057237588	0.2751717	-0.021813745	0.63926315	0.8609944	-0.09082822	1	-0.6651455	-0.28689158	-0.23116139	-0.3917519	-0.86392903	0.3383941	-0.42745745	-0.8352701	0.121222585	0.011559969	-0.16883522	-0.37192765	-0.2821518	0.8072886	0.15321869	-0.56151074	0.4332673	0.17135991	-0.43517593	-0.71443164	0.7374705	0.7304335	0.8749825	0.75852513	0.66029775	0.14379105	-0.10809996	-0.48406032	0.20859426	-0.18952198	0.42251992	0.9989122	-0.1821891	-0.35181856	0.8610659	0.13217454	-0.2277611	0.62009877	0.080309466	-0.23336151	1	-0.13045458	-0.9635923	0.41322994	0.99916804	-0.6443185	-0.31149465	-0.99996924	-0.8786718	0.5799077	0.78760874	0.08262463	-0.7009882	-0.28887033	-0.18576773	0.6830953	0.2758713	-0.81475973	-0.14707322	-0.18231769	-0.20868431	-0.5041016	-0.99996173	-0.99941206	-0.9963219	0.6064561	-0.15354143	0.19653748	-0.23085935	0.007091842	-0.83483034	-0.4046869	0.16806713	0.42467955	-0.8498449	0.066497825	-0.1727662	-0.5921049	0.06842901	-0.05849805	-0.27930522	-0.97961766	-0.9999775	-0.20196563	0.45993885	-0.8188349	-0.5370926	0.27354658	0.16715625	0.73423356	-0.012236843	-0.4819987	0.47279218	0.09272942	-0.41966012	0.9297083	0.5154843	0.74677604	-0.4054461	-0.052767705	-0.226664	0.54765695	-0.12875226	-0.30074075	-0.29145893	0.7927303	-0.35045326	-0.33974552	-0.5551297	0.56103426	-0.6805709	-0.48539448	-0.5762525	0.69755435	-0.16059045	0.1378235	0.5235517	-0.6266731	-0.11829105	0.017272636	-0.69441664	0.7157417	-0.7937858	0.9942647	0.28708225	-0.015467127	-0.62114733	0.16591515	-0.4796416	-0.383488	-0.1311871	-0.54977816	-0.8440034	-0.3830741	0.81239855	0.07148485
46	1	Oc1cc(Cl)c(Cl)cc1Cl	-0.7179588	-0.3762852	0.056157086	0.63192004	-0.35809126	-0.055963177	-0.37132305	0.10306196	-0.14547941	-0.45233947	-0.80666053	-0.12892802	-0.04060734	-0.59651774	0.34631184	-0.4954863	-0.4093985	-0.008219896	0.086376935	0.026931036	0.38494074	-0.7839564	0.6867313	0.54878783	0.16859914	0.09602634	0.22906768	0.10879207	0.5917161	-0.46181637	-0.18720849	0.8197203	-0.050902553	0.12911937	-0.45811123	-0.08409531	0.048091926	0.47970656	-0.3715662	-0.9581201	-0.99466556	-0.048187017	-0.09158383	-0.3448395	0.67517555	-0.99646056	0.4529527	-0.27182457	0.96255857	-0.0636349	0.005975246	0.3876295	-0.20247447	-0.039812684	-0.96157277	-0.1405515	-0.7777121	0.9516813	0.14595512	0.589039	0.25719756	0.19502634	0.41013902	0.35240445	0.14680801	0.7039072	0.5193257	0.64818805	-0.2169813	-0.057791874	0.59182495	-0.89590466	0.23910196	-0.12718582	0.8008828	-0.35117364	0.38913885	-0.24130383	-0.016509393	-0.9902257	-0.82199484	0.02431457	-0.8038932	-0.10920082	0.36636838	-0.015360836	0.42625314	0.08885978	-0.55155385	-0.37998256	0.3897197	0.26278812	0.16156438	0.23338576	-0.008455271	0.0452548	0.45496368	0.12794042	0.45395306	-0.35896385	0.73567784	-0.5430209	0.6742063	-0.853222	0.97193336	-0.033854492	0.11647202	0.24988669	-0.91366386	0.63850725	-0.6396908	-0.5329546	-0.19170332	-0.22460048	0.34321007	0.48073635	0.7921275	0.3292736	0.99912	-0.5052493	-0.23199344	0.06695127	-0.17561425	-0.20878607	-0.35969964	-0.1732975	0.26651356	0.28979012	-0.49308583	0.99959457	-0.06733765	-0.48978257	0.51125944	-0.41275236	-0.04473139	-0.41439015	0.67487025	0.31240705	-0.6982978	-0.13521415	-0.9977418	0.25174993	0.99658763	0.5543866	0.29997095	-0.46837518	0.35465926	-0.3439259	0.99643373	-0.6028581	-0.19752651	-0.2761079	-0.3491212	0.06151939	-0.39932904	-0.27281645	-0.26917845	0.99935365	-0.62489736	-0.5002504	-0.9899485	-0.2765201	0.053716037	-0.041667804	0.6421914	0.42289764	0.10612149	-0.45625758	-0.21501759	-0.01930117	-0.82551855	-0.25967887	-0.018760452	-0.45780802	0.41409844	-0.96850723	-0.9065599	0.20782882	-0.32816076	0.6373488	0.54783297	0.6791258	-0.37305033	0.20481004	-0.92327803	-0.45621735	0.5382498	0.5324484	-0.21835865	-0.3360474	0.85244334	0.35604924	-0.16708866	0.3727359	-0.2741714	-0.5240478	0.66765034	-0.35435143	0.18780786	0.6920889	-0.7442837	0.31238362	-0.80664575	-0.5402017	0.20513283	-0.511941	0.6305452	0.39419758	0.20150271	-0.65377986	-0.108638495	0.063679405	0.30001244	-0.21193391	-0.23912738	-0.2689385	0.096960135	-0.034706693	-0.45753038	0.04059231	-0.41990578	-0.4573495	-0.35614577	-0.079243034	0.9936848	-0.25794485	-0.04426878	0.7585335	0.21319237	-0.1647689	-0.44929427	-0.5279543	0.48247406	-0.73786986	0.012546505	-0.608248	-0.074666016	0.35958856	-0.5697365	0.10192949	0.9354245	0.3870999	0.15552804	-0.6897246	0.7273428	-0.31455368	0.5838446	-0.10362885	-0.29235035	-0.59595734	-0.3223291	-0.9981449	-0.40660962	0.3096514	-0.54170144	-0.33550227	0.61426145	0.12953164	-0.24131024	0.24956876	-0.47119325	0.54005045	0.6324627	-0.6433674	0.63782054	-0.3896549	-0.1951383	0.0158556	-0.576197	0.52952254	0.1560034	-0.7163188	0.2515847	0.31971285	0.10865667	0.9147753	-0.2671966	0.042108245	0.25533393	0.10316261	0.37000173	0.999073	0.3327363	0.8540852	-0.28964716	-0.32336226	-0.27117398	-0.118329294	0.5209888	-0.052716598	-0.44982123	0.99942887	-0.13301861	0.81439245	-0.063602835	0.08549995	0.997962	-0.9680178	0.3735492	0.45283243	0.28646407	-0.046039883	-0.001057759	0.33948386	0.19204065	-0.45769098	0.99897116	0.74485534	-0.68405825	-0.3685535	0.42770803	-0.50426126	0.54745454	-0.021190759	0.9383109	-0.6481839	-0.03905926	0.019844586	-0.9456256	0.09421377	0.014896779	0.42270917	0.40528405	-0.67831784	-0.6373983	-0.299854	0.35964292	-0.98083514	0.5303484	0.09305886	-0.25057206	-0.44676456	0.00389768	-0.13306917	0.46508238	0.6801189	-0.111953184	0.097561516	-0.24308483	0.40499565	0.290352	-0.78420085	-0.24608538	-0.20794535	0.10453228	0.42814687	-0.32847577	-0.33336055	0.019212302	0.94698066	-0.99630564	-0.28710556	-0.15858555	-0.56796104	0.29153106	0.56141865	0.06091788	0.9866006	-0.10955646	-0.31139892	0.16237696	0.16923964	0.5286242	0.25431284	-0.8611328	-0.5069674	0.7699234	-0.22885151	-0.028111545	0.113199055	-0.066407375	0.6657175	0.67767537	0.9553126	0.1674322	1	0.4105145	-0.46285072	0.13498808	-0.27435642	-0.94370097	-0.019168232	-0.3679681	-0.59255534	-0.65337443	-0.46403867	-0.13144812	0.086852334	-0.49281076	0.859226	0.078451484	0.52841115	-0.55417126	0.4043932	0.108135864	-0.15122288	-0.167446	0.3634173	0.8788096	-0.03482475	-0.9743509	0.02675355	-0.4380802	0.17949706	-0.06513887	-0.22397566	-0.48629203	-0.04644239	-0.29807195	0.05446994	0.65472555	0.7238661	0.40697786	0.123805314	0.69992274	0.2677844	0.9998145	-0.07381452	-0.99682796	0.34539187	0.9986782	-0.6592183	-0.45190775	-0.99654174	-0.27035135	0.8214153	0.67431676	-0.3461453	-0.34981334	-0.29208118	-0.054476347	-0.25003582	-0.11606762	-0.35569423	-0.43087485	-0.2380122	0.5261211	0.038688067	-0.99994624	-0.9996079	-0.99704707	-0.35432902	0.18450177	-0.28122386	0.32980415	-0.68149185	-0.8941243	0.54393566	-0.1652561	0.06470513	-0.8916628	-0.13908456	0.10977361	0.055356476	0.09329754	-0.003581903	-0.274673	-0.9921273	-0.99985063	-0.30347338	0.2711783	0.29588136	0.54285806	0.41342872	-0.99533683	-0.13763082	-0.58771086	-0.5869085	0.29055336	-0.27888265	-0.13434461	0.9347142	0.4522019	0.81759524	-0.49121535	0.7598706	-0.5547684	-0.6867644	-0.6314068	0.30524874	-0.65935844	-0.2625293	0.35726997	-0.15019329	-0.612321	0.21036145	0.1113283	-0.15566891	0.034761734	0.7484028	-0.51609355	0.34676757	-0.07991627	-0.945787	-0.10980242	0.1534884	-0.26809508	0.20100856	0.5051649	0.9989259	0.6801816	-0.615328	0.14618723	0.36222664	0.39553192	0.0422671	0.86715376	-0.22814694	0.5020593	0.72677046	0.60887843	-0.2913779
47	0	Oc1c(Cl)cc(Cl)cc1Cl	-0.66591525	-0.2019717	-0.059119686	0.57600206	-0.4057718	-0.042239293	-0.2664786	-0.19645068	-0.046518087	-0.279118	-0.8453772	-0.1285997	0.016407283	-0.68965876	0.2613006	-0.5458416	-0.41620958	0.04699518	0.080448255	0.056158695	0.48433265	-0.77421606	0.5056589	0.61021715	0.14287233	0.38771483	0.10631432	0.13016774	0.71389395	-0.46449196	-0.074243955	0.8148846	-0.07330505	0.19512482	-0.26937857	-0.055574734	0.12973017	0.4493373	-0.37497932	-0.95920163	-0.9963046	0.06684442	-0.090984724	0.027238017	0.5474149	-0.99613625	0.26490095	-0.4362916	0.95801324	-0.2237135	0.082946844	0.15113798	-0.051328667	-0.12986541	-0.95780027	-0.1565882	-0.72081006	0.9474131	-0.14466245	0.62068427	0.25163567	0.20918311	0.46938977	0.35014808	0.32053012	0.7195747	0.4758677	0.5567756	-0.25898692	-0.06575499	0.4889141	-0.8871144	0.3871706	-0.26035225	0.76785016	-0.12327293	0.2884662	-0.32207513	-0.1079394	-0.9906521	-0.7439881	-0.4466453	-0.80662996	-0.22006012	0.3485861	0.040797573	0.30303428	0.14557204	-0.40473452	-0.25173086	0.004534511	0.47614017	0.056510013	-0.07024166	0.123441264	0.17543527	0.43646565	0.33225113	0.5295176	-0.5627794	0.7227356	-0.59881055	0.6604166	-0.8540725	0.9718962	0.045905743	0.21181192	0.3837669	-0.89377445	0.519606	-0.48689258	-0.2027206	-0.11297506	0.031470343	0.20154597	0.4565977	0.7283987	0.35695404	0.99916196	-0.3894629	-0.33545214	0.06626482	-0.14659669	0.11485779	-0.39937487	0.113366455	0.2527944	0.019332564	-0.5717898	0.9996996	-0.40399992	-0.5105248	0.72866106	0.07435582	0.3888284	-0.38161317	0.7235691	0.48044652	-0.66104424	-0.16132753	-0.9954085	0.35305363	0.99673665	0.3035927	-0.030205969	-0.3148986	0.41999355	-0.21792033	0.9969288	-0.5822266	-0.13456342	-0.29434234	-0.17379107	0.24405393	-0.43117213	-0.62634647	-0.13297541	0.9993906	-0.6673132	-0.45921814	-0.9891087	-0.5992844	0.30142793	0.17060784	0.70693433	0.49959543	0.17142467	-0.3846829	-0.4080022	0.13588661	-0.8673625	-0.12335382	-0.19223554	-0.30427012	0.39102	-0.9589542	-0.8943384	0.34172842	-0.08159087	0.41300043	0.43335032	0.643799	-0.2421241	-0.04214086	-0.9206561	-0.48196742	0.44456044	0.5093264	-0.3625839	-0.3799584	0.838065	0.25585884	-0.10792015	0.29602918	-0.3385008	-0.21815172	0.6237274	-0.32343942	0.23981996	0.45785666	-0.4861916	0.5506128	-0.8443628	-0.4393097	0.40748632	-0.24734485	0.511469	0.2187175	0.1283474	-0.7184217	-0.11018255	0.23187618	0.189989	-0.106739104	-0.038479373	-0.06577854	0.13725355	-0.34197217	-0.42864048	-0.11494505	-0.20014827	-0.62511164	-0.3442554	0.20166251	0.99188954	-0.44149455	0.32573014	0.77435106	-0.010932138	0.09929933	-0.3617856	-0.4546963	0.42001998	-0.59852064	0.21719205	-0.5472896	0.2522019	0.16356221	-0.5570439	-0.018994978	0.9312448	0.36007303	-0.15402141	-0.68548965	0.68495405	-0.2118186	0.59627557	0.11436041	-0.394502	-0.58183706	-0.26571476	-0.9981748	-0.41489506	0.40308136	-0.36920294	-0.30223697	0.37218484	0.21198924	-0.038032033	-0.062128738	-0.5156918	0.53881514	0.71100974	-0.6712703	0.4865838	-0.19573627	-0.3647138	0.12417194	-0.5143296	0.29282695	0.2892216	-0.672493	0.3900207	0.2994643	0.29834938	0.94224066	0.019486954	-0.09050595	0.14567833	0.11337338	0.4669184	0.9989841	0.099163264	0.8417625	-0.18427908	-0.27246895	-0.50073045	-0.063109495	0.49431777	-0.108056635	-0.48839405	0.99945027	0.07026507	0.78682643	-0.3326959	0.19416519	0.9969884	-0.9684703	0.44931108	0.47832087	0.6936952	0.15886708	-0.11193412	0.35416853	0.13440487	-0.58946747	0.9989487	0.75592095	-0.6988837	-0.3155905	0.30723363	-0.571442	0.35358614	-0.21558133	0.92598224	-0.4345901	-0.006672797	-0.39348397	-0.9505126	-0.064946786	-0.19248816	0.45144767	0.5425749	-0.64819914	-0.50724477	-0.30119964	0.34220535	-0.98285055	0.35388917	0.17895077	-0.3637786	-0.56349736	-0.25720567	-0.041883707	0.08622235	0.6944323	0.092601806	0.29229394	-0.55815244	0.636513	0.01873448	-0.77653044	-0.32177255	0.06800299	0.14308329	0.31004876	-0.13625777	-0.11855336	0.01645938	0.9438942	-0.9959073	-0.29191008	0.03912753	-0.6704402	0.41482195	0.60082185	-0.20888747	0.9898767	-0.14583962	-0.26803473	0.118358776	-0.05670321	0.5399474	0.37254336	-0.87012774	-0.5235856	0.70169735	-0.16555089	-0.18534565	0.006484603	-0.15363052	0.7673698	0.71311605	0.94737947	0.05522723	1	0.4880413	-0.48430222	-0.019656012	-0.2736546	-0.9486508	0.025069153	-0.1480783	-0.63672704	-0.5013949	-0.37071112	-0.36834565	-0.33326623	-0.41112158	0.852284	-0.101766855	0.5375495	-0.5997795	0.1766277	0.21096586	-0.15763034	-0.088812254	0.3606831	0.8875882	-0.3116415	-0.9722437	0.15202183	-0.4635186	0.06340234	-0.08031863	0.075642996	-0.3976043	-0.121981926	-0.5015122	0.06627357	0.73439	0.7191627	0.2678978	0.32762012	0.7558744	0.25179374	0.99984294	-0.17350285	-0.99642026	0.27335307	0.9984686	-0.40595332	-0.31453583	-0.99653655	-0.14905526	0.81291515	0.62165505	-0.31017855	-0.5393245	-0.25831318	0.12779745	-0.22032125	-0.060119506	-0.12889202	-0.39569336	-0.14059286	0.5454532	0.11937606	-0.99994725	-0.99954754	-0.996963	-0.47656327	0.11452274	-0.4123152	0.13880019	-0.80118984	-0.90998423	0.5648026	-0.2359885	-0.023016397	-0.9005248	-0.26549023	-0.1458065	0.06411333	-0.23333202	-0.20283064	-0.40573406	-0.99086505	-0.9998496	-0.1989219	0.089450955	0.16023365	0.43738967	0.35015628	-0.99519855	-0.34620363	-0.4206102	-0.5952911	0.3589161	-0.209651	0.052940696	0.9199176	0.51804787	0.8171374	-0.5801532	0.60424405	-0.2557528	-0.6916094	-0.41701627	0.48405918	-0.66847277	-0.28246635	0.44214883	0.060900427	-0.72051173	0.30771983	-0.07426241	-0.31075755	-0.1045988	0.7753592	-0.26779857	0.25487477	0.004137663	-0.94294554	-0.26587588	-0.095652096	-0.07019409	0.06315827	0.23365328	0.99893093	0.6866936	-0.44021943	0.02297658	0.5810921	0.23247178	0.38234177	0.8704149	-0.20212246	0.70014656	0.62712055	0.65772486	-0.24183632
48	0	Cc1cc(C)c(O)c(C)c1	-0.6865204	-0.32714823	0.2759489	0.21699817	0.25592732	0.103485115	-0.32507968	-0.46683067	-0.23977454	0.032225672	-0.8259959	-0.52276975	0.39852068	-0.63245445	-0.3196362	-0.480511	-0.09758283	-0.37661454	0.09007773	-0.38312492	-0.033326536	-0.89799595	0.77648884	-0.023694735	-0.2620771	0.62884283	0.3752769	0.2994249	0.46605462	0.078297906	-0.6028435	0.5831558	-0.068885334	0.13655064	0.15851009	0.35470745	0.17797017	0.43140376	-0.36529675	-0.9336788	-0.99784124	-0.6746914	-0.17981303	-0.11620994	0.63107455	-0.9970179	-0.005328645	0.30436343	0.9433997	0.025824202	0.4785426	-0.105643556	-0.41969675	0.33526567	-0.95565355	-0.05820132	-0.64146495	0.94547844	0.10152087	0.3080607	-0.34211197	-0.5231086	0.4243251	-0.2592761	0.008148808	0.43551323	0.17773305	0.7665371	0.17202042	0.6378117	0.7266935	-0.9834451	-0.41395777	0.27422288	0.71706843	0.1493498	0.325077	-0.36284876	0.24003686	-0.99764335	-0.7300451	0.24890488	-0.81510603	-0.12468622	0.14037356	0.25821123	0.4177714	-0.5104518	0.45182946	0.2423193	0.56748027	-0.13499777	0.05737731	-0.13482589	0.110904254	0.08432799	0.26006168	0.093805596	0.4217199	-0.32959226	-0.106935486	-0.2981301	-0.032522496	-0.84519345	0.9623375	0.3477308	-0.14164512	0.29820347	-0.8897588	0.20094222	-0.2912054	-0.1812904	0.16286017	-0.4961535	0.2812471	0.6411625	0.62694365	0.17409667	0.99956155	-0.4163415	0.22132063	-0.20737764	-0.3287138	-0.21643938	-0.37968326	-0.020361893	0.37154722	0.38062575	-0.2555707	0.9989206	-0.4010777	-0.33617562	-0.13180615	-0.4650291	-0.14152245	-0.3692832	0.5867712	0.346395	-0.7588868	-0.23523551	-0.99819636	0.38994935	0.99685603	0.5678478	-0.34459218	0.18935214	0.12453531	-0.049190257	0.99691635	-0.16357596	-0.18072347	-0.6641396	-0.34066477	0.2906854	-0.12329111	-0.2993295	-0.122228295	0.9993767	-0.50018024	-0.47379562	-0.9941842	-0.27914798	-0.0378626	-0.24857962	0.41906217	0.3136375	0.6730183	-0.04880548	0.31735963	0.018717397	-0.7433727	-0.73770374	0.26407793	-0.41738555	-0.5582434	-0.97677416	-0.8597967	-0.30538678	-0.69706124	-0.19867046	0.53973126	0.5326252	-0.048464555	0.35318574	-0.91448224	-0.5143735	0.3424325	0.256691	-0.35757673	-0.54758435	0.84700704	0.08788991	0.15581842	0.15485986	0.34383747	-0.72750914	0.007224491	-0.36543518	-0.115153685	-0.25233138	-0.42655644	-0.011042946	-0.41564453	-0.51379037	0.28244403	-0.2638079	0.17805059	0.11303633	-0.21547249	-0.598927	0.14601961	0.003061299	0.23130542	-0.34833738	0.46292004	-0.206304	0.201554	0.27449337	-0.4836449	0.20373794	-0.24005382	-0.36004868	-0.13322914	0.028965969	0.9978573	0.2316735	-0.2818576	0.3071303	0.23777463	-0.57468307	0.01690796	-0.28425112	0.7347004	-0.06307908	-0.518669	-0.5658814	0.002928679	0.57651454	-0.21289335	0.42817658	0.91518825	0.448093	-0.27301133	-0.79530555	0.48643702	-0.2932127	0.14927429	0.30751315	-0.53962046	-0.31127957	-0.32152042	-0.99853605	-0.19989781	0.019684063	0.09986871	-0.18407409	0.48065645	-0.33531877	0.2976878	0.5463881	-0.61549246	0.73633116	-0.20884281	-0.40617684	0.4943544	-0.17157947	0.15954074	0.26927137	-0.6707642	0.5725819	-0.28424764	-0.77455384	0.18031496	0.43722016	-0.44547644	-0.06466846	-0.5322544	0.22041632	0.1431614	-0.39899784	0.26310536	0.9996887	0.32903597	0.4888997	-0.31225452	-0.19660513	-0.49608272	-0.27262637	0.64813685	-0.24049936	0.1500898	0.9996724	0.23611782	0.8953433	0.028355794	-0.06317094	0.9984537	-0.95258623	0.4317376	-0.36164102	-0.12545508	-0.022039948	-0.2419527	-0.4731476	0.19751064	-0.7926328	0.9989568	0.23972875	-0.7371094	-0.445889	-0.064546406	0.36205593	0.40925628	0.2289492	0.91336465	-0.46848524	0.444814	-0.011916356	-0.9823769	0.065794736	0.27942148	0.64985037	0.32034144	-0.4420894	-0.35626557	0.30542263	0.26039797	-0.93250877	-0.16492523	0.07442607	-0.040307328	-0.1162102	0.28556597	0.103819355	-0.18156636	0.2010318	0.021655064	-0.05838191	-0.018778471	0.19970217	-0.025315478	-0.4517342	0.32887918	0.17618838	-0.27741134	0.34473082	-0.51091963	-0.67052823	0.44523412	0.9606884	-0.9964639	-0.29151228	-0.70103985	-0.5452255	0.25191757	0.18901524	0.47122762	0.989579	-0.33743393	-0.40694565	-0.13914838	0.5671216	-0.36709556	-0.32656705	-0.67939657	0.07663991	0.68341315	0.120010495	-0.20873456	-0.1540737	0.6237925	0.293573	0.44083628	0.95239615	0.077520095	1	0.15318926	-0.46744576	-0.02257974	-0.36356506	-0.9549547	-0.07180855	-0.44260672	-0.26290098	-0.64735657	-0.3093153	0.07425289	-0.00204577	0.21395975	0.8553602	0.3487135	0.61010784	-0.041276876	0.69132614	-0.13222285	-0.5189029	-0.012508797	0.19761561	0.90790135	0.41868922	-0.9794669	-0.27407628	-0.259288	-0.11374154	-0.003735545	-0.3895343	-0.22513789	-0.38370183	-0.4573329	-0.1433913	0.6079584	0.38805065	-0.2203415	-0.2147354	0.37998244	0.24246083	0.9999569	0.13157459	-0.9964306	0.085486665	0.99902433	-0.31996635	-0.32976502	-0.9983882	-0.6049377	0.79412097	0.5885017	0.048607223	-0.5069243	-0.26249745	0.3287036	0.09993609	-0.28661603	-0.7313149	-0.5760373	0.0851024	0.70610714	0.59754777	-0.9999771	-0.999632	-0.9971432	-0.031565417	0.2677391	-0.08056128	-0.040104374	-0.53969467	-0.8489731	0.1960785	0.20275792	0.006960003	-0.81891817	-0.47704688	0.36442697	0.020414077	0.30286488	0.066444255	-0.4038636	-0.99380535	-0.9999624	-0.24695064	-0.069866	-0.078404665	0.030267991	-0.12355052	-0.99326277	0.11843321	-0.17058599	-0.32121986	0.2495083	0.04693505	-0.5414775	0.9622899	0.02894175	0.7887846	-0.28058195	0.6585557	-0.06353145	-0.78633064	-0.14522982	0.47780755	-0.6207505	0.04377506	0.48430195	-0.55009353	-0.5141038	-0.11407057	0.274431	-0.11358938	0.023590814	0.57175463	-0.29117557	0.18472216	-0.28992707	-0.95081	-0.27101004	0.24913158	-0.07248296	0.036027387	0.16639987	0.9994071	-0.08741681	-0.047645066	-0.2518754	0.54810894	0.4038653	-0.31290042	0.7934407	-0.47344694	0.013348767	0.53594273	0.79132885	-0.04915246
49	0	CC(C)CC(C)(O)C#CC(C)(O)CC(C)C	-0.6153275	-0.66643894	-0.30116916	-0.23203751	0.5485624	0.43303624	-0.5949796	0.3881094	-0.4542557	-0.58764726	-0.6125404	-0.041295364	0.16228223	0.85802394	-0.12006816	-0.8257921	-0.26174	0.008523992	0.19448309	0.01877951	-0.44519028	-0.6220763	0.3140135	-0.37330258	-0.043627553	0.7074557	-0.7074407	0.17475663	0.89628065	0.41093457	-0.1325803	0.6408188	0.93440574	0.45149192	0.11094406	0.8584148	-0.53185886	0.16617818	0.97466964	-0.009721337	-0.88558716	0.14132342	-0.11537667	-0.017727181	0.86061	-0.96433616	0.8261886	-0.27086756	0.7925696	-0.15134493	0.3729687	-0.41067764	-0.48994827	-0.5058065	-0.7941302	-0.39884844	-0.11610404	0.5854518	0.27749357	0.5769037	-0.33953995	0.051269673	0.3910552	0.33003145	-0.04007804	-0.63822407	0.8295655	-0.029268421	-0.12492924	0.43883908	0.15115304	-0.9468551	0.037762463	0.89163834	0.7497759	-0.43702152	0.54156077	0.3335046	-0.65853083	-0.9995034	-0.8252571	0.4352155	-0.13449745	-0.3616195	-0.2854307	-0.50671333	-0.68819404	-0.7939233	-0.093766004	0.5564734	0.7115184	0.32905608	0.7840144	-0.40977526	0.8931572	0.5244569	0.8057209	-0.6388937	0.8615951	-0.03422995	0.37259838	0.60104406	0.46111307	-0.17961347	-0.63384265	0.36705616	-0.49010152	0.55597013	-0.99925894	-0.6972532	0.34815243	-0.33954787	-0.43722826	0.28564033	0.49168736	0.7268779	-0.14167358	-0.3705358	0.99806404	0.1993972	-0.44144213	-0.14579125	-0.25783128	-0.13880326	-0.101396	0.2274481	0.1637993	0.26742852	-0.65533984	0.99965364	0.2465862	-0.19699487	0.029554754	0.251265	0.031668335	-0.8144115	-0.27161068	0.8660745	-0.6311946	-0.39281276	0.9985396	0.61883956	0.9684345	0.544295	-0.37766412	0.56053203	0.44867	-0.24018046	0.5240931	0.21186784	-0.15307707	-0.81199855	0.41270834	0.59568316	-0.312164	-0.3475163	0.14874804	0.9638083	-0.92725474	0.32170072	-0.9552051	-0.73732466	-0.5738036	-0.28585488	0.62624264	-0.64537054	0.63052344	0.63692725	-0.08066333	0.4531055	-0.53341585	-0.40544224	0.10815886	0.25098765	-0.20771423	-0.93744576	-0.46272448	0.40117115	-0.6332972	0.76433945	0.21931826	-0.32658708	-0.16759269	0.2825576	0.51659185	-0.5689052	-0.30743343	-0.36542818	0.23432243	-0.6559278	-0.6784349	-0.24612626	-0.16870186	0.8185451	-0.57363355	0.018134898	0.60563827	0.003045751	-0.34250706	-0.55621725	0.122301005	-0.30095685	-0.07974168	-0.51833034	0.19080047	-0.17555323	0.3069754	0.30159572	-0.21517234	-0.99962735	0.25025544	-0.019553026	0.4149731	-0.48569745	0.3473933	0.12730369	0.24548696	-0.029820299	0.021364555	0.25789866	0.1605789	-0.021351585	-0.20637816	0.11676956	0.99990636	-0.39460486	-0.030250825	-0.4807973	-0.6170292	-0.27654624	0.085373156	0.47488546	0.057827786	-0.7402092	-0.006980388	0.058276698	0.33453664	-0.008466398	-0.6998955	-0.38930964	0.80861825	0.6259646	-0.6217472	-0.4473105	-0.9469217	-0.37234992	-0.43297192	0.072761774	0.10611358	0.5360835	-0.4036809	-0.99982274	0.50474036	0.55592316	-0.19584449	-0.3796167	0.061236635	0.32822052	0.6158271	0.10269159	-0.58196956	0.04199347	-0.26358646	-0.52799785	0.41430205	-0.10117806	0.7480609	0.45199272	-0.35023212	-0.19788072	-0.5799799	0.9878086	-0.38191235	0.28842348	0.01856262	-0.842917	-0.016422264	-0.42194176	0.4893648	-0.8756703	0.6689071	0.9990112	-0.2452819	-0.046909608	-0.44030157	-0.39581504	-0.30087513	-0.040497027	-0.95942533	-0.5154813	0.10726671	0.99592906	-0.05232465	0.6897055	0.36845624	-0.118429594	-0.9957988	-0.98422724	0.696962	-0.3462957	0.15427035	-0.36878765	-0.4167163	-0.5786337	-0.6060913	-0.70253503	0.42928892	-0.020610996	0.20041414	0.16011345	-0.095744565	0.25204042	0.52703255	0.20412117	0.7133027	-0.24323279	0.48098788	0.45492658	0.96604574	-0.15184101	-0.690174	0.022996234	0.7376399	-0.13343208	-0.20939259	0.01126126	0.6699565	-0.72360337	-0.31969216	-0.09519279	-0.2037827	-0.09619835	0.70241094	0.48876965	-0.10020114	0.30415332	-0.16444315	0.19210193	-0.324589	-0.60334724	-0.8427593	-0.274269	0.8802301	-0.62550396	-0.18155047	0.35060802	-0.5713774	0.31045553	0.22536574	0.51980084	-0.97957116	0.5419423	0.32390836	-0.37673837	0.63347435	0.4796783	0.6947723	0.9997913	-0.015521923	-0.356272	-0.19652109	0.718306	-0.6567881	-0.5599541	-0.67924285	-0.20149273	0.354206	0.69864357	0.6671609	-0.12159697	0.27837318	0.20456557	0.4309065	0.43469244	0.25317013	1	0.116033494	-0.71629345	-0.012125363	-0.053013396	-0.52362317	0.25653824	-0.09188808	0.51162714	0.073013924	0.26165298	0.3297372	0.30622748	0.3790974	0.043240648	0.34909737	0.29413298	0.001280779	0.42437613	-0.40750545	-0.9854766	-0.48411414	-0.08737283	0.04064324	0.09473177	-0.7181866	-0.12603742	-0.33182707	-0.54947245	0.26259747	0.39714453	-0.5766413	-0.9226387	-0.59152776	0.1269164	-0.083884	-0.08173666	-0.06648924	-0.19383185	0.049531177	-0.680051	0.88417983	0.4021383	-0.8614164	-0.5291007	0.99943626	-0.68414927	0.5252519	-0.9797981	0.024823373	0.46995097	-0.31183568	0.20630525	-0.045932367	-0.02515607	0.13092539	-0.6913465	0.1759048	-0.39070636	-0.5892851	-0.6189641	0.5253241	0.127375	-0.9999108	-0.99999976	-0.9488574	-0.17450161	0.75574297	-0.10799514	0.65696704	-0.67703104	0.29708982	0.051957816	-0.72852975	0.22157222	0.12686676	-0.34331968	-0.1252517	0.398736	0.13929158	-0.17482217	-0.71960884	-0.731355	-0.99986595	0.30137604	-0.16871473	0.035063673	-0.28268707	-0.24715602	-0.95440626	0.6370835	-0.37761635	-0.19061054	0.82428646	-0.39052194	-0.06281786	-0.93046945	-0.44139412	-0.3607858	0.058419455	0.5260271	0.56762034	-0.65599245	0.32463259	0.005550623	-0.20147765	-0.19255447	-0.67859656	0.22225602	-0.09744297	-0.678208	0.63107455	-0.36253443	-0.22926293	0.33152288	-0.22498928	0.50989133	-0.502972	0.85249686	0.04677969	-0.24133338	0.7191934	0.44606954	0.4256332	0.9999652	-0.2343308	-0.31852943	-0.064226285	0.15916914	-0.17158574	-0.003678022	-0.9843304	0.088353366	-0.15008341	-0.052619725	0.83600277	-0.014598393
50	1	CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1	-0.7327451	-0.39397618	0.17601089	0.3518876	0.75866425	-0.5397493	-0.6868821	-0.5016337	0.39421156	-0.40596387	-0.8183577	0.36717737	0.038643736	-0.47291324	-0.48048082	-0.1793103	-0.10131749	0.31798622	0.17773284	0.5191059	-0.39299822	-0.52528775	0.76785874	-0.061893433	0.07753212	0.77034533	0.09900376	0.4622819	0.84284645	0.14084016	-0.744033	0.1976634	-0.0211639	0.048802268	-0.23750393	0.5400209	0.30891603	0.66411316	0.9992218	-0.8059475	-0.73157173	-0.2963805	-0.5708909	-0.52351946	0.22907642	-0.294472	0.013645704	0.33766314	0.97305846	-0.3305929	0.7183403	0.3326013	-0.17415312	-0.38462645	-0.9187704	-0.14839754	-0.73356	-0.7112484	0.10939101	-0.23328218	-0.106133	-0.6091071	0.63664037	0.044483848	0.04722196	0.11629483	-0.11107366	0.46563825	0.15800647	0.7295249	0.39669326	0.6693801	0.15704717	-0.2325374	0.92332983	-0.2063903	0.15737127	-0.219605	0.07690196	-0.9957381	-0.61376023	0.3904032	-0.78893346	-0.39755663	-0.1855245	-0.9915325	-0.6515852	-0.10743116	-0.31081107	-0.081562325	0.68773913	0.015137337	-0.20536889	-0.64833564	0.5093632	-0.1926973	0.9276562	0.11684976	0.36533865	-0.38582352	-0.11466939	0.5351506	0.19229887	0.9261541	-0.9977162	0.73716664	-0.12075561	0.25623432	-0.8784974	-0.5343247	-0.30299997	-0.22631453	-0.057589613	-0.2984373	-0.29222706	0.5013948	0.38161874	-0.14774725	0.9693986	0.052371986	0.6419676	-0.6098952	-0.26951542	0.1409415	-0.44438747	-0.40870038	-0.4539879	-0.5556059	-0.27921292	0.9999921	-0.63656104	0.36395794	0.5778809	0.10068138	0.28213054	-0.9073285	0.6468703	0.937235	-0.800596	-0.6153368	-0.9999985	0.5205503	0.97872764	0.7316548	-0.12992963	0.027050018	0.34485993	0.345119	-0.9635972	0.17911945	-0.13069476	-0.821044	0.6019792	0.30122134	-0.22309613	0.024379235	-0.37934873	-0.59974134	-0.86136115	-0.5558252	-0.55007845	0.20469253	-0.3467691	0.34090298	0.4331798	-0.25872645	0.8502684	0.067011796	-0.11571279	0.60415226	-0.66237646	-0.4416552	0.5444176	0.6550713	-0.5181842	-0.9756481	-0.82454437	0.7423618	-0.08197162	-0.34054342	-0.046414617	0.839892	-0.17023416	0.504879	0.4513995	-0.11525291	0.055534303	-0.5002063	0.14194508	-0.4048456	0.021090303	0.38136065	0.29235938	0.8879599	0.37584502	-0.5278731	0.4041863	-0.60843354	0.77786773	-0.09292231	-0.026032167	-0.037912153	0.3841441	0.16736667	0.5170075	-0.68657285	0.537929	-0.42958796	0.48965016	-0.9998919	-0.17349073	0.2105328	0.6452542	0.17386764	0.7845051	0.13663314	0.06532002	0.19743724	-0.00860923	0.5534851	-0.079105884	-0.12217226	-0.56327504	-0.8041432	0.98630625	-0.3501757	0.6353009	-0.31721783	0.11494124	0.41729027	-0.12570865	0.025464345	0.61499697	-0.087584674	0.36094213	-0.6432075	-0.17179392	0.23300019	-0.5499105	0.08576155	0.8349999	0.7251505	0.04894952	-0.27552965	0.47445145	0.21875933	-0.04583929	0.56634617	-0.07690513	0.105930015	0.054299057	-0.7815692	-0.502716	0.71885765	0.44346246	-0.121693216	-0.7048881	0.1439222	0.41498196	-0.11166937	-0.47762525	0.61271054	-0.5663869	-0.68240523	0.49849528	-0.35846853	0.49921954	0.2219838	0.26257324	0.10389958	-0.78545547	0.98295236	0.31698367	0.19543666	-0.064038634	-0.14854784	0.1785055	-0.73149246	-0.17778488	-0.59935755	0.7154868	0.9955014	0.28573385	-0.026286174	-0.39330953	0.11047565	-0.30002463	0.924239	0.12766343	-0.7276518	0.094045445	0.70725393	0.36913347	0.2651305	-0.28401703	-0.4150817	0.99999964	-0.9996341	0.541734	-0.07578743	-0.12048131	-0.4778823	-0.56878513	-0.5522374	-0.53542316	-0.97065383	-0.9810704	-0.1884143	0.74176836	0.111000426	0.16923223	-0.6013673	0.12694232	0.054551072	0.9532521	-0.76605624	-0.36186415	-0.3149167	-0.9275626	0.623677	-0.07805946	0.57359457	0.47049475	-0.63157886	-0.7363625	-0.6512768	0.47838393	-0.97612214	-0.21182063	0.3654866	0.39821267	-0.16514853	0.5396654	-0.64855087	-0.38950652	0.9890557	-0.19521318	0.14322531	-0.043055717	0.018257063	-0.6303914	0.14736173	0.54159516	-0.043559927	-0.121416345	-0.7791964	-0.2312761	-0.23156773	-0.53574663	-0.8813085	-0.9106772	0.021851188	-0.74439704	0.03888182	0.2432299	-0.62206924	0.21334444	0.9997672	0.5863107	-0.39224243	0.2926232	0.16437386	-0.37838095	-0.20363842	-0.97470325	0.07179044	-0.31913784	-0.030964678	0.35515735	0.087034315	0.23679686	0.023189785	0.5218027	0.3254407	0.000650598	-0.9909591	0.44540927	-0.45976588	-0.19462192	0.061741497	-0.40924168	-0.1378965	-0.63548416	-0.6295919	-0.0522488	-0.0616146	0.49770257	0.43413275	0.2872953	0.5614467	0.465463	0.12222025	-0.26272866	0.2901382	0.52590245	-0.23833744	-0.8481988	-0.84663963	0.5622638	-0.78964007	-0.86137575	0.85753685	-0.18428913	0.20834282	-0.16658963	-0.6524018	-0.35394034	-0.82283807	-0.19378726	0.10975935	0.5834679	0.20699158	-0.45358714	0.002513094	-0.4898858	0.43308935	0.9998754	0.15439504	-0.98630375	-0.1666091	0.99931836	-0.38238162	0.26531142	-0.9991777	0.16419521	-0.1206184	0.47356266	0.00626355	-0.5526933	0.7504357	-0.55546385	-0.9510122	-0.8258371	0.15593976	-0.6050092	-0.18795279	0.3325149	-0.068809606	-0.99997073	0.9999997	0.06893192	-0.31554574	-0.08348733	-0.30118334	0.004939646	-0.79729533	-0.38671497	0.13358444	-0.5058703	-0.4740294	-0.890363	-0.5600034	0.62681973	-0.16421846	0.45150918	-0.27120695	-0.67340416	0.86697435	-0.99980223	-0.44938728	-0.23994139	-0.49242792	0.044280734	0.004347655	-0.9980615	0.38743436	-0.39427274	-0.4011401	-0.5210236	0.32116833	-0.1800972	0.98657775	-0.5884882	-0.08382967	0.6207439	0.29041818	0.16060027	-0.8245611	0.20229173	0.1986497	-0.035882823	-0.87689275	-0.97113127	-0.055377003	0.3480387	-0.7457826	0.37493977	-0.30549824	-0.2826896	0.5535084	0.05455223	-0.63651705	-0.03490323	0.9972516	0.20797807	-0.06317989	0.27755368	0.26029536	0.13458762	0.9995192	0.7581591	-0.004487714	0.27759135	-0.041813284	-0.02781199	0.1103507	-0.99561805	0.14075865	0.5803485	0.60633034	0.8020263	-0.35562345
51	0	CC(C)Nc1nc(Cl)nc(NC(C)C)n1	-0.05002695	0.52730465	-0.10126384	0.15582824	-0.324272	0.2856761	-0.5824305	0.37028748	-0.085726395	-0.5180454	-0.6241994	-0.3161584	0.24324849	0.5804447	0.0708538	-0.75859636	-0.5808353	0.4544794	-0.29671988	-0.26580045	0.17992787	-0.25937513	0.6773595	0.6404798	-0.3176026	0.6002308	-0.31826726	0.20252371	0.15239841	0.18639736	-0.62953454	0.6941977	-0.4751219	-0.000588902	-0.19007124	0.76165897	-0.016197685	-0.17851351	0.89670736	-0.9004876	-0.9265497	0.6525481	0.2095935	0.019502707	0.36421257	-0.9808134	0.059485476	-0.43388188	0.016889982	-0.38542488	0.51038724	-0.25508314	-0.610918	-0.48446116	-0.6386445	0.56078744	-0.46420217	0.76653826	-0.37130868	0.37433368	-0.015782155	-0.34518608	0.31103304	-0.5110313	0.111312896	0.11225679	0.67434067	0.059443224	-0.22728088	-0.41263837	-0.96400756	-0.99216425	0.46027392	-0.56725997	0.29092824	-0.30077326	-0.38573346	-0.36145186	0.0750028	-0.9988543	-0.23060778	0.1810905	-0.75442475	-0.14272541	0.7127405	-0.05559998	0.1658469	0.666787	0.019062333	-0.11463351	0.3851295	-0.11270313	0.6124592	0.30763337	0.99367374	-0.32490373	-0.22289422	-0.30460277	-0.019629532	-0.44801787	-0.032275863	-0.37599114	0.5945089	-0.22272825	0.0185723	-0.98005605	0.46848315	0.42880473	-0.99858975	-0.2919542	0.2606792	-0.29674202	-0.5056907	-0.35099658	0.33987778	0.12148799	-0.15122035	0.35411745	0.9991451	0.38920864	0.10739104	-0.34787413	0.7011104	0.20708883	-0.12417382	-0.5458075	-0.22793148	-0.25992763	-0.4487612	0.99105793	-0.7555574	-0.5308068	0.671713	0.4234637	0.05855236	-0.9110558	-0.67625695	0.31385523	-0.34125274	0.69091725	-0.9974186	0.46769413	0.9212363	-0.09329634	-0.7009873	0.2506846	-0.25375926	-0.46537766	0.9124441	-0.23717363	0.24962918	0.7950243	-0.5308923	0.59815055	-0.38539702	-0.06745317	0.3296709	0.99127483	-0.75685185	0.8769442	-0.98078734	0.47053465	-0.5113549	0.44474167	-0.6205667	-0.43112233	0.33625254	0.067506306	-0.7622005	-0.050539576	-0.31240863	0.10319333	0.4849531	-0.41293138	-0.15515421	0.5764096	-0.6373759	0.5493123	-0.8292245	0.51297677	-0.13979824	-0.7069497	-0.24229099	0.29145175	-0.58614635	-0.34906062	0.45886323	0.31371838	-0.3566941	-0.06443218	0.9853616	0.7281354	0.3288852	0.6659403	0.26274168	-0.11342084	0.48296097	-0.72106636	-0.051366765	-0.011747577	0.2764336	0.268773	-0.10068695	-0.32601604	-0.5651551	0.34938046	0.4613969	-0.013103761	0.9119005	-0.99428976	-0.26304138	-0.08573995	0.020227263	0.39248312	0.6850003	-0.79247385	-0.04811155	-0.47219744	-0.42700782	0.4159705	0.64431113	-0.63776034	0.46683198	0.047206383	-0.9513792	0.37669888	0.001932253	0.040975284	-0.1598294	0.3037297	-0.15529175	0.16499144	-0.39447853	-0.35174814	0.57713985	-0.0368601	-0.000592281	0.20573545	-0.121951014	0.3788491	0.9614585	0.6047674	-0.58860594	-0.4247128	-0.120963536	-0.5015479	0.45759812	0.585147	-0.029741766	-0.1827646	-0.806573	-0.99864715	-0.2497461	0.1626455	0.2735573	-0.21658754	-0.5012799	0.05583981	0.51794636	-0.7110518	-0.28559166	0.06911759	-0.070675455	-0.48352194	0.508308	-0.1430136	-0.5328847	0.09981837	-0.82519317	0.4141944	0.13140137	0.846235	-0.6203512	0.39875787	0.095337346	-0.7637046	0.5475215	0.8312161	0.7341797	-0.09400281	0.34152204	0.9993292	0.20533347	-0.16075544	0.6265439	0.12750943	-0.061646294	-0.9139755	-0.96644664	-0.13901493	0.78439677	0.9986066	-0.64954084	0.91221434	0.6276306	-0.20287435	0.99862146	-0.86399835	0.6097542	0.116877824	0.53194773	0.21999936	-0.4063486	-0.8282244	0.86437607	0.95987076	0.9291676	0.41880795	-0.000666872	-0.22005741	-0.27193084	0.19810359	0.71458566	0.25024962	0.7298412	-0.17435244	0.30579057	-0.006717206	0.9453524	0.36575937	-0.6854388	-0.011467796	0.74041283	-0.626848	-0.035235588	0.004672636	0.6447236	-0.27012682	0.61605215	0.31296653	0.21816395	-0.3473511	0.15327421	-0.21709666	-0.24346067	-0.5257799	0.35314077	-0.050331343	-0.41653153	0.3210566	-0.0887261	-0.14960463	-0.30573946	0.061764598	0.073631346	-0.4096533	0.2175928	0.31269833	0.5249051	0.6615375	-0.9885143	-0.45192406	0.3349679	-0.4260138	0.3647081	-0.23383963	0.47531012	0.9975297	0.011279083	0.22648504	0.32051295	-0.4222408	-0.15412259	-0.13586764	0.13092904	-0.17320007	0.4767217	0.42730373	-0.6570414	0.14259112	-0.44293863	-0.08295721	0.48629323	-0.19718829	0.14938138	1	0.55396163	-0.55027694	-0.2905701	-0.34848362	-0.17026201	0.37724057	-0.2770901	0.5228667	-0.15731744	0.04911182	-0.50501937	-0.4565544	-0.24893221	0.710723	0.08590089	0.18650669	-0.32107475	0.42538312	0.40056688	-0.59763235	0.26098567	-0.058229923	0.18168266	0.3398359	0.1833646	-0.0335531	0.21310513	0.36221948	-0.03284246	0.014792546	0.48347342	0.23556575	-0.13311712	0.34669396	0.7886349	0.42766392	-0.17550895	0.7129484	0.3173598	-0.075575806	0.9433516	0.6446522	-0.9347418	0.2879869	0.9975693	-0.3149526	0.27391046	-0.969457	0.32001638	-0.005608276	0.41094327	-0.10809673	-0.1304232	0.53711796	0.3622257	0.29175565	-0.024068603	0.54151845	-0.89250904	-0.102921255	0.3475343	0.34371465	-0.9999429	-0.9964715	-0.9848886	0.50145894	0.32175708	-0.077807434	0.09074053	-0.25874826	-0.68377346	0.15129179	0.44110456	-0.25213033	0.16869502	-0.19165477	0.2759739	-0.040792156	0.7185001	0.13467878	-0.12393759	-0.9082911	-0.9999236	0.18683216	-0.26955083	0.10364804	-0.2504367	0.01926331	-0.7070387	0.7116474	0.74714607	-0.6073934	0.21890597	-0.23932059	-0.32757264	0.87986785	-0.057157088	0.5378594	-0.21361661	-0.000668062	-0.3999708	-0.4926412	-0.017897405	0.29848018	-0.0625366	0.4712672	0.42918664	-0.65612173	0.10117133	-0.075408444	-0.43592772	-0.41759714	-0.22231159	0.6174026	-0.38348314	-0.44558063	-0.22401816	0.2676701	-0.35936362	-0.18693657	-0.18634894	0.18300697	-0.4351286	0.9999839	0.052538086	-0.15447958	0.823396	0.08426278	0.71369535	0.38856375	-0.83502734	0.16811109	-0.965297	-0.44721624	-0.66490436	0.16872832
52	1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	-0.7853981	-0.2164424	0.17508753	0.20033371	0.45154107	-0.26748535	-0.63809055	-0.2853944	0.16119985	-0.4645754	-0.86411303	0.40048838	0.25769606	0.34259698	-0.26483446	-0.6780217	-0.38065678	-0.519115	0.24595673	-0.33045432	-0.17528665	-0.61780286	0.6356983	-0.36023617	-0.011916675	0.81701547	0.23687825	0.60981	0.76013035	-0.16384965	-0.5569374	0.57147515	-0.13023275	0.38886514	-0.19750896	0.8411446	0.238008	0.5699028	0.9314721	-0.8867938	-0.9933261	-0.109542236	-0.021203738	-0.38715002	0.1826827	-0.98438233	-0.325426	0.29177618	0.9824028	-0.2896439	0.80953324	0.18414088	-0.38976553	0.031115271	-0.96396303	0.05353464	-0.7420933	0.60000616	0.20092231	-0.020410972	-0.07729423	-0.60463905	0.4441048	0.06480044	0.102858655	0.32791436	0.3773046	0.491816	0.2023129	0.668229	0.78918976	-0.58119583	0.11305096	0.34186432	0.8710355	-0.38686797	0.12308481	-0.34926605	0.13164604	-0.99870855	-0.42054906	0.3290084	-0.6140941	-0.37983572	0.2968556	-0.8442503	-0.2997881	-0.15000153	0.3180867	0.11651922	0.2965646	0.26618	0.17524163	-0.3645645	0.18385644	-0.13658744	0.61193466	0.32605922	0.37212327	-0.30194503	0.14159247	0.3028108	0.13917802	-0.5646972	-0.28815186	0.64996046	-0.085810326	0.36663628	-0.9074656	-0.48237503	-0.37540758	0.13041547	-0.07308718	-0.5474054	0.17850801	0.63212013	0.45995358	-0.086619645	0.9993291	-0.2629505	0.58758235	0.05417753	-0.061422843	0.11877946	-0.41211575	-0.23681977	0.003016533	-0.345572	-0.2682498	0.9999302	-0.41576502	0.18368076	0.3788181	-0.26466948	-0.2975639	-0.69616854	0.45023513	0.81353384	-0.83235925	-0.5098898	-0.9992357	0.49090096	0.99569994	0.7338754	-0.36251706	0.18113025	0.044504896	-0.56497276	0.900031	-0.30235177	0.02370136	-0.8620552	0.24272394	0.41156822	-0.09231485	-0.09753052	-0.55983335	0.9883586	-0.9193723	-0.48736557	-0.9804556	0.37022886	-0.036969107	-0.1162528	0.46362263	-0.36160123	0.7176278	0.3709663	0.08466189	-0.039757073	-0.81133777	-0.24091108	0.4579214	0.28463143	-0.24401438	-0.9835651	-0.8554469	0.574244	-0.53218436	0.07237795	-0.27520952	0.65409607	-0.42629576	0.3375973	-0.6386838	-0.46786645	0.4810872	0.32353365	-0.055787995	-0.6492227	0.7269436	0.4237028	0.036918875	0.80539733	0.24525419	-0.39008373	0.6362917	-0.57109046	0.47234175	-0.42004627	-0.66938037	0.31480995	0.15616225	-0.2754857	0.005709157	-0.43078366	0.36313373	-0.3530328	0.43389544	-0.995476	-0.25567994	-0.117738746	0.3035435	0.011218478	0.7066298	0.2413635	0.116769396	0.043211717	-0.5545565	0.14058802	0.05901019	-0.5480547	-0.4229356	-0.64132595	0.9834273	0.4900781	-0.07046796	-0.05295706	-0.13311416	-0.07260624	-0.2770894	0.0536096	0.55388576	-0.002017417	-0.08501799	-0.28645504	-0.14940451	0.24929027	-0.4706677	-0.015557666	0.9221063	0.76559854	0.041546326	-0.79992944	0.11857401	0.04091122	-0.37219658	0.27124175	-0.43412796	0.14951934	0.001756971	-0.9986616	-0.5874238	0.64570063	0.65370756	-0.7626753	-0.6421009	0.00617009	-0.10890559	-0.028946145	-0.6701654	0.62783897	-0.30036196	-0.6009642	0.6963784	-0.37687558	0.33603162	0.3892979	0.06422187	0.5542958	-0.61600626	0.4402692	0.4909763	0.43936303	-0.46787396	-0.35613194	-0.16297923	-0.21216632	0.045804523	-0.8103597	0.6833892	0.99961644	0.4207393	-0.34297737	0.023087867	-0.20184489	-0.34729543	0.6383623	0.6300472	-0.32077593	0.35283616	0.998124	0.09388957	0.9109811	-0.08532048	-0.31169972	0.99932504	-0.9973812	0.23066892	-0.051456396	0.13042894	-0.1786474	-0.4991509	-0.5671325	-0.38433182	-0.92010945	0.9067352	0.15634307	-0.29528758	0.13651498	0.17014845	-0.27285472	-0.13016747	0.007128922	0.92347836	-0.5270398	-0.19345343	-0.44921657	-0.9682565	0.33618215	0.08115572	-0.20391142	0.71355003	-0.6240385	-0.33979687	-0.22885007	0.32039666	-0.9810956	0.01360213	0.53066146	0.16560376	-0.2198494	0.38538876	-0.5597334	-0.09458028	0.88550854	-0.21413736	0.23440164	0.08849886	0.13767824	-0.35550117	0.07656102	0.4443726	-0.07241721	-0.38336238	-0.1448671	-0.55075854	-0.7219448	-0.063026756	0.54691935	-0.9924696	-0.396106	-0.7631754	-0.38911027	0.4154633	-0.7008216	0.4418583	0.99957764	-0.10289831	-0.46136716	0.20388877	0.13064918	-0.42118114	0.28242588	-0.88252306	0.22044611	0.41507494	0.1341588	-0.014181707	-0.00437477	0.5249889	-0.01608893	0.5406754	0.8443591	-0.06882018	1	0.21827264	-0.60146636	-0.23759437	-0.04253468	-0.83313656	0.04878049	-0.56675464	-0.49684966	-0.39787298	-0.20187253	0.23798361	0.5821803	0.03233761	0.80517155	0.2957061	0.16670077	0.17769349	0.52363205	0.32244575	-0.820535	-0.47672343	-0.3100651	0.8633438	-0.39309907	-0.9652599	0.63056964	0.050808676	0.37575668	0.093597755	-0.32383075	-0.55056834	-0.7154401	-0.64236027	-0.1236025	0.52268714	0.40208855	-0.5911673	0.47034615	-0.19740263	0.49538252	0.9999404	0.40310347	-0.99228215	0.0894928	0.9998728	-0.6660052	-0.3149322	-0.99894315	-0.42944798	0.5963436	0.5674966	-0.43660593	-0.7757424	0.23277114	0.31263226	-0.8237387	-0.79203933	0.057868604	-0.53514975	-0.17575456	0.09074765	0.011320379	-0.9999849	-0.9987376	-0.98239356	-0.3529325	-0.4508364	-0.14918178	0.13325217	-0.7668198	-0.8342045	-0.07494797	-0.49550304	-0.31722817	-0.78860873	-0.3569747	0.42667466	-0.002222078	0.7747213	0.09330862	-0.39254206	-0.87605065	-0.99997544	-0.4341895	-0.15665367	-0.28987405	0.19202307	-0.03488303	-0.9967893	0.58706135	-0.42227829	-0.04764516	-0.39651385	0.54963595	-0.48650405	0.96731234	-0.41248482	0.2574199	0.41965395	0.3118866	-0.15930556	-0.7783746	0.38992766	0.55459785	-0.6749583	-0.5574355	-0.20004103	-0.2008855	0.050579302	-0.588854	0.30343622	-0.5024523	-0.034216072	0.62596923	-0.016681798	-0.536614	0.16658789	0.26309314	-0.031205209	0.27879143	0.1260883	0.26943275	0.3513255	0.9994655	0.5919024	0.1643565	-0.28767192	0.18115449	0.05060429	-0.35830688	-0.758143	-0.50793004	0.11353678	0.7674458	0.7101671	-0.22369163
53	0	Cc1ccc(N)cc1N	-0.7492155	-0.3014666	0.5458157	-0.16811222	-0.25759566	-0.20815445	-0.5567169	-0.27743107	-0.043766428	0.24619353	-0.8346288	-0.6869402	0.20170599	-0.61490613	0.17575984	0.4915766	-0.34968916	-0.25734115	0.2096686	-0.075349376	0.5352288	-0.91740346	0.6275299	0.3933906	0.35742977	-0.10156305	0.119304456	0.45481363	-0.1428871	-0.17667389	0.06391073	0.5200454	0.23416182	-0.19732787	-0.43866473	-0.23063968	-0.25906885	0.5690489	-0.77540886	-0.91134346	-0.9379303	-0.46590275	-0.595027	-0.4492309	0.2139176	-0.996838	0.51198304	0.085607424	0.77862537	-0.50429606	-0.0547759	0.24152303	0.03199436	-0.017783513	-0.9468479	-0.42988363	-0.58242154	0.9681662	0.5549752	0.12264163	-0.35338512	0.1052847	0.12724403	-0.58708674	0.7697601	0.6442321	0.02429185	0.42608553	-0.01817236	-0.06808085	0.19577527	-0.9957898	-0.24393979	0.16148561	0.22832824	0.32386246	-0.3459191	-0.40818378	-0.17391767	-0.96245426	-0.8920016	0.5231998	-0.91700786	-0.24853611	0.46363673	0.7146814	0.19936825	-0.004683214	-0.08180097	-0.39909378	0.0327636	0.1926737	-0.17840034	0.1955335	0.6563402	-0.37496233	-0.63142645	0.063275814	0.5572204	-0.3762235	-0.028455814	-0.65527856	-0.006714998	-0.82776135	0.98886776	-0.024135873	-0.16188905	0.27000618	-0.99910206	0.14349858	-0.2627135	-0.24624923	0.061917264	0.35034347	-0.18028675	-0.2675717	0.38344157	0.094310634	0.9979909	-0.28148836	-0.38001618	-0.5330915	-0.18238935	-0.3610673	0.047835138	-0.17867431	-0.51992095	-0.16638297	0.002256635	0.99657565	-0.15158613	-0.07035008	-0.15793398	0.136002	-0.26660538	0.8034255	0.48942438	0.32537693	-0.6492596	0.017444886	-0.9825316	0.21873242	0.9813599	0.13065204	-0.005557561	0.6019946	0.40687978	-0.53769416	0.99788666	0.07481184	-0.08224512	-0.32213682	-0.48246363	-0.17613056	0.07888518	0.021791153	-0.6222742	0.99907434	-0.16821194	-0.26781663	-0.9904248	-0.20768474	0.28105938	0.2141692	-0.41683608	0.17388962	0.8621762	0.09426341	-0.048157476	0.014777228	-0.682472	-0.23147707	0.42499006	-0.7418161	-0.07903029	-0.96688986	-0.8233428	-0.21245262	-0.52487946	0.27330986	0.66192806	-0.55240583	0.21172707	0.060687743	-0.8174308	-0.6042151	0.531247	0.005772699	-0.13400525	-0.31945986	0.93799615	0.1812881	-0.17881203	0.13859226	0.345262	-0.07448146	0.29023066	0.5005999	-0.5746825	-0.46299967	-0.049051214	-0.26353356	-0.6495465	0.06505308	0.3233242	-0.083004564	-0.11097456	0.33171186	0.28532785	-0.16610329	0.13518374	-0.12287069	0.031031186	-0.5625793	0.103281625	0.011666009	0.4469595	0.096293524	-0.042328857	0.16231029	-0.005265503	-0.4096509	-0.24098025	-0.020740233	0.99998885	0.12541783	0.1786058	0.019883836	0.31587008	-0.6964776	0.100960284	-0.6294273	0.39527142	-0.3387109	-0.033116203	-0.38445315	-0.6885703	0.33783436	0.37964898	0.49243388	0.9113085	-0.10308053	0.07241478	-0.096021555	0.57604325	-0.19658269	-0.30011788	0.63735265	-0.38143843	-0.14320149	-0.2639072	-0.99686205	0.6397923	-0.36979818	-0.22825111	0.16149883	0.29654667	0.06792273	0.08545558	-0.11534906	-0.7132692	0.41350582	-0.022331119	-0.3377994	0.493511	0.116052024	0.24010526	-0.14387298	-0.9989094	0.41300905	0.12902516	-0.7186476	0.052655693	0.64318043	0.09881947	0.6116742	-0.31575552	0.27359214	0.3056191	0.7227097	0.18282114	0.9985876	0.34073126	0.6178372	-0.13639025	0.1209982	-0.33301058	-0.812344	-0.69039273	-0.04771912	-0.24912041	0.9989779	-0.060332943	0.8443737	0.19143775	-0.007081247	0.9956543	-0.6383551	0.40665478	-0.15884094	-0.017628776	0.56673145	-0.42846087	-0.23033708	0.38095012	-0.49250808	0.99923563	0.32335654	-0.53218406	0.10621458	0.18883625	-0.20936726	0.23837914	-0.6669549	0.70407635	-0.46652994	0.08320793	-0.24448039	0.77939886	0.024588192	-0.10197248	0.38406706	-0.19668685	-0.4158434	-0.57182086	-0.03353686	0.52735883	-0.7886375	-0.08915418	0.0983031	0.35065928	-0.243413	0.52383107	-0.036125585	0.10708563	-0.45772597	-0.13495402	0.08089446	-0.6637892	-0.3389188	-0.000648694	-0.26124105	-0.40980506	0.12321001	0.23074737	0.640515	0.008017316	-0.37989277	0.3554896	0.9597753	-0.9926508	-0.15494157	-0.4626198	-0.24573112	-0.06790521	0.22023118	-0.07970987	0.9749298	-0.06716845	-0.42293352	-0.04872633	0.20181637	0.43588635	0.001438859	-0.42556	0.054443642	0.24211074	-0.5388824	-0.48376137	0.36048597	0.32009035	-0.18857326	0.5202607	0.962616	0.13993369	1	0.07627822	-0.15531813	0.17470184	0.32055888	-0.81195956	-0.44857994	-0.12564051	-0.6459357	-0.33933052	-0.35084838	-0.53307843	-0.31236506	-0.08954122	0.7326641	-0.017316027	-0.11049267	0.6574953	0.19554874	-0.5817479	-0.22052433	0.2459515	0.71582323	0.8959969	0.64107907	-0.8613097	0.30564898	-0.44838157	0.05994665	0.37130746	-0.6602124	-0.55048656	-0.35078096	-0.3051152	-0.19579309	0.765252	0.77342695	-0.3066374	-0.24239235	0.445441	-0.08277681	0.9718003	0.20901714	-0.9938765	-0.3034178	0.99337906	0.31754005	-0.42882165	-0.95868784	-0.30108342	0.80745935	0.5618136	-0.060497195	-0.6661453	-0.13697346	-0.13770486	0.72229683	-0.020891748	-0.28337616	-0.3428852	0.08096941	-0.043691218	-0.15487492	-0.9996738	-0.9994308	-0.99672705	-0.2648217	-0.2548809	0.49770376	-0.10240946	-0.72362274	-0.74046487	0.4972769	0.031731814	-0.31452835	-0.85736847	-0.25972846	0.320814	-0.63932765	0.56861544	0.2409353	-0.38348705	-0.99223393	-0.9997093	-0.6865212	-0.3121523	0.29751843	-0.6184785	0.07310824	-0.90102506	-0.10801638	-0.012927903	-0.08441483	0.1995274	0.19018994	-0.42764655	0.9188047	-0.00673338	0.8088863	-0.16127469	0.56068045	0.32545835	-0.8411953	-0.29835832	0.068095714	-0.15360591	0.8194869	0.10744155	0.19497491	-0.33322743	0.25329924	-0.50269014	-0.51007414	0.07370161	0.5992252	0.29480293	0.30833846	0.24274503	-0.9784315	0.09774713	-0.58381665	0.37582895	-0.60113424	0.16880742	0.99918526	0.15154879	0.08692527	-0.37183663	0.7766553	0.5803021	-0.3636745	0.91050744	0.07263066	-0.69474566	-0.09325983	0.5370003	0.0412246
54	0	Oc1ccc(Cl)cc1Cl	-0.6920969	-0.31950197	-0.06102301	0.6557246	-0.37981853	-0.20650943	-0.5142474	-0.22302574	-0.042414777	-0.33181497	-0.79398316	-0.110596046	0.02490266	-0.71713513	0.40963885	-0.050143626	-0.40902925	0.10009327	0.51897997	0.16053729	0.38394418	-0.82928556	0.44169092	0.44506443	0.092519306	0.24491963	0.35488933	0.16202097	0.4783263	-0.55985487	-0.0892186	0.6528513	0.09328511	0.20664576	-0.35892105	-0.16214846	0.024524469	0.52368456	-0.7820138	-0.96245027	-0.9946045	0.07374795	-0.25168777	-0.18236741	0.61333334	-0.996341	0.3433214	-0.2909327	0.9720249	-0.2025236	0.09670002	0.018837279	-0.038474947	0.1217114	-0.9527725	-0.13982674	-0.6345763	0.9706928	0.12760806	0.5899239	-0.4763377	0.092102714	0.4565266	0.10989555	0.39465332	0.6589252	0.32633507	0.5269056	-0.14229216	-0.12341296	0.6705385	-0.9646976	0.21642299	0.15742908	0.70743996	-0.04125526	-0.005593197	0.009028389	0.018768173	-0.99105954	-0.8552436	0.055482123	-0.7741766	-0.31585145	0.37875953	0.3492885	0.429217	-0.022294123	-0.48737597	-0.31378895	0.22318067	0.2935104	0.17326827	0.059181545	-0.044314455	0.061064105	0.09254245	-0.09514732	0.5296647	-0.32983494	0.74457675	-0.501419	0.49472153	-0.8178885	0.9887038	0.20102988	0.048699994	0.37481803	-0.894733	0.50228953	-0.47660893	-0.46450832	-0.09265865	0.043985184	0.3235629	0.567444	0.7646682	0.41528732	0.9982151	-0.3671608	-0.23907405	0.04938878	-0.2527562	0.13164872	-0.15426469	-0.0832804	-0.07637315	-0.038692884	-0.479765	0.99947333	-0.11051149	-0.32012662	0.50933576	-0.2701595	-0.27364576	-0.028196502	0.60225004	0.30729443	-0.6066448	-0.05164966	-0.99573946	0.02837386	0.9946128	0.4699266	0.248924	0.06957609	0.44828576	-0.4286229	0.99754626	-0.32372126	-0.10985354	-0.34591562	-0.15784927	0.08754584	-0.13545093	-0.3423915	-0.32406726	0.9992931	-0.42000186	-0.48457193	-0.98985666	-0.31488556	0.11744809	0.15598775	0.47712293	0.3211319	0.17577541	0.0641465	-0.32815188	0.040857475	-0.7212262	-0.17787515	0.19005033	-0.51039	0.4271497	-0.97286755	-0.861985	0.074359186	-0.4895514	0.40803266	0.49318618	0.6351842	-0.17170493	0.15485811	-0.95020044	-0.4251223	0.49362737	0.47701362	-0.258327	-0.25712034	0.8270482	0.38970134	-0.044483207	0.33210614	-0.22143118	-0.29414764	0.64181066	-0.45994923	0.28078794	0.25336808	-0.5875659	0.25543946	-0.80443066	0.22853734	0.11258998	-0.17650853	0.5855729	0.15234193	-0.12408113	0.03607276	-0.16460526	0.17043918	0.22908992	-0.1856931	-0.30095792	-0.04595565	0.03958226	-0.10079758	-0.22857378	0.24511307	-0.2999766	-0.28995982	-0.33277088	-0.24769221	0.9963272	-0.07873707	0.04722579	0.6491679	0.17893034	-0.097409785	-0.29334566	-0.5246675	0.50352687	-0.6826206	0.01616495	-0.68984306	-0.43504915	0.034388628	-0.48721975	0.23553786	0.94651484	-0.028953183	-0.22210814	-0.6184994	0.72142595	-0.17317204	0.47445992	0.47158793	-0.46429086	-0.36853194	-0.2728821	-0.9965521	-0.24223259	0.38888782	-0.2818235	-0.45773497	0.38548717	0.24813877	-0.08235187	-0.092479154	-0.59760016	0.44842634	0.58390754	-0.6170581	0.51367676	-0.1137601	-0.08659616	0.110430196	-0.53500867	0.68144953	0.14805214	-0.9204098	0.19229567	0.14294991	0.39262518	0.9135006	0.082173586	0.043443535	0.11225864	0.35529345	0.2941884	0.99849933	0.15593466	0.84554243	-0.27530247	-0.096242286	-0.40449125	-0.32065666	0.42248172	-0.14213122	-0.32418776	0.99912256	-0.11334015	0.72148806	-0.028467411	0.37783247	0.9975014	-0.92879766	0.50324476	0.36208415	0.38094354	-0.05740964	0.0309083	0.3933278	0.07225797	-0.45503926	0.99936056	0.71202016	-0.6342513	-0.10869095	0.3495087	-0.5243811	0.20679246	-0.001677619	0.9368597	-0.61089414	-0.03361082	0.024212128	-0.94314855	0.026353829	-0.24222076	0.46359333	0.35244456	-0.66803086	-0.58096594	-0.35677248	0.14619343	-0.972514	0.15965676	0.37394246	-0.1401428	-0.53252065	0.22773528	-0.2903848	0.44587106	0.5051332	-0.17199062	0.08525239	-0.36880907	0.1474632	0.1340525	-0.7012135	-0.1677154	0.52498555	0.20829451	0.58798736	-0.2387232	-0.31068528	-0.09742326	0.95328164	-0.99513215	-0.10091139	-0.5009173	-0.4594752	0.260016	0.2817501	0.18507063	0.95957315	-0.34080818	-0.3215504	0.25889617	0.024631519	0.4642431	0.21048452	-0.8539947	-0.46101907	0.59102595	-0.7207939	-0.19613977	-0.017307203	0.052379813	0.42867208	0.55066395	0.9743572	-0.07518754	1	0.22969766	-0.29581553	0.038570266	-0.22018851	-0.9299807	0.002476662	-0.024595985	-0.6369791	-0.62525046	-0.353458	-0.03090314	-0.09238125	-0.27956107	0.7688025	-0.016523255	0.39272156	-0.40461746	0.2983422	-0.12725948	0.14851646	-0.16231261	0.51868457	0.86447215	0.07327635	-0.9704646	0.28934637	-0.35642278	0.12218553	0.13866405	-0.37606904	-0.58014715	-0.020416941	-0.26303917	-0.17227465	0.63775516	0.62523407	0.1333354	0.22204371	0.6219048	-0.17447866	0.9997953	-0.10768251	-0.9983982	0.08516803	0.9962916	-0.5162654	-0.26243272	-0.9941739	-0.19376369	0.8171893	0.6098955	-0.078204565	-0.57696486	-0.117696755	0.082064636	0.27528146	0.06671656	-0.28346026	-0.23174001	0.039416447	0.1784501	-0.048346125	-0.9998685	-0.999184	-0.995484	-0.22846179	-0.045605037	-0.1413279	0.3160745	-0.71301085	-0.8840682	0.5322551	-0.16328686	-0.35226697	-0.86754256	-0.42413077	0.1672873	0.06557617	0.25422025	0.06614906	-0.31983697	-0.9941132	-0.9997509	-0.33832958	0.21339226	0.14898509	0.3553945	0.26312977	-0.99369794	-0.38311204	-0.67680305	-0.26649693	0.37773353	-0.18807796	-0.17341551	0.92404777	0.5433304	0.8878867	-0.0990112	0.7463413	-0.17175671	-0.74330187	-0.51764023	0.265614	-0.5707015	0.107913665	0.19087154	-0.04223219	-0.5958292	0.31652188	-0.12164532	-0.5461715	0.082125165	0.6540097	-0.3011608	0.0923724	-0.033885513	-0.9789228	-0.122933365	-0.08721237	0.048882317	0.30309093	0.4472307	0.99806255	0.5811576	-0.34494433	0.089443564	0.5381683	0.311572	0.11594961	0.9479484	-0.03384796	0.35079798	0.31038028	0.66149384	-0.19503444
55	0	O=C(O)COc1ccc(Cl)cc1Cl	-0.67980015	-0.30929798	-0.5628282	0.47179914	-0.009820146	-0.48622674	0.08302871	-0.23942235	-0.09881385	0.028856602	-0.20361339	-0.01952686	0.114413545	-0.52641886	0.12875766	-0.2433338	0.49184468	0.410406	0.76439995	0.25188607	0.3833048	-0.8298175	0.054789152	-0.15248123	0.118288174	0.1376041	0.3066179	-0.13764393	0.30743724	-0.15259627	-0.00697563	0.50991476	0.20573683	-0.27379894	0.32813314	-0.41067266	-0.21126105	0.27414614	0.3801192	-0.91288877	-0.99813575	0.27238557	-0.09892053	0.3924303	0.30927667	-0.994423	-0.07018752	-0.18133202	0.8242027	-0.09299895	0.430736	0.2735213	-0.23027201	-0.12162231	-0.7621896	-0.087738745	-0.28250483	0.9416178	0.16709839	0.28674442	-0.16875325	-0.032598544	0.42123702	-0.016974865	-0.35375854	0.5301894	-0.037510995	0.16547732	0.21349008	-0.5448627	-0.7089532	-0.9870966	0.00761813	0.1658511	0.42760825	0.5136388	-0.40238026	-0.16614394	0.05631397	-0.9988215	-0.4004314	-0.3452002	-0.7290206	-0.5428877	0.5867573	0.1831477	0.42813978	-0.024878332	-0.26622045	0.11519281	0.000303809	0.7379158	0.105191804	0.19986436	0.9842945	-0.2984041	-0.026317017	0.20815767	-0.050192814	-0.33155373	0.6718985	-0.37907633	0.04921552	0.14992799	0.8768187	-0.5155739	0.14853996	0.17842184	-0.9019125	0.16888274	0.17932296	-0.5345002	-0.17117184	-0.55146295	0.039595842	0.28883004	0.5525905	0.7127561	0.99921983	-0.24733396	0.058410574	0.06534317	-0.181735	0.24359769	-0.16144675	-0.06977021	0.10808032	-0.052503303	-0.04884378	0.9989538	0.2684241	-0.3201913	0.43117797	0.023420906	-0.111259304	-0.5906624	-0.23633005	-0.22460783	-0.54808384	-0.019338327	-0.9978746	0.011584765	0.9716889	0.11622112	0.40148073	0.6372975	-0.19613646	-0.4258973	0.9939747	-0.13716155	-0.1934309	-0.35292563	-0.2608894	0.40637484	-0.41490686	-0.060098864	-0.15542434	0.99862003	-0.37629944	-0.686376	-0.9890141	0.10986505	0.19528912	0.41939282	0.49429163	0.5408419	-0.36721277	0.45612726	-0.6525435	0.47692466	-0.51455826	-0.18451019	-0.29618582	0.06709649	0.6282293	-0.9692259	-0.63218594	-0.019473467	-0.36693084	0.32623196	0.40319857	-0.80758005	0.059611827	-0.27713606	-0.90533805	-0.41318873	0.2471322	0.09893283	0.21219209	0.051565297	0.14033483	-0.38729858	-0.05458723	-0.09732206	0.005241565	0.2323743	0.623318	-0.6059715	0.11995477	0.37025836	-0.6468604	0.16730891	-0.28602973	0.31462595	0.7001076	0.010798564	0.6064165	-0.29786894	-0.27424723	-0.9685602	0.45896187	0.42927688	0.13643414	-0.32242677	-0.5493057	0.3510598	-0.015944673	-0.11988484	0.23281214	-0.49652052	-0.3938522	-0.10086688	-0.41905233	-0.17571902	0.99670637	-0.2241115	-0.26790413	0.30418777	0.059424765	0.10818133	-0.030176261	-0.06173028	0.003088181	-0.27674454	0.4614075	-0.47972307	0.022488248	0.20338848	-0.16371754	0.25146365	0.9146903	-0.060708508	0.07450453	-0.51521784	0.65689474	0.08779392	0.18358813	0.34055787	-0.14518347	-0.08167345	0.42091367	-0.998229	-0.31284112	0.47217456	0.23624071	-0.56936306	0.21743377	0.37083447	-0.42551896	0.21919361	-0.108686075	-0.1347265	-0.017456662	-0.7086121	0.65433633	0.055752143	-0.5401221	0.36443138	0.39719015	0.118453145	0.54523087	-0.67482555	0.35701218	0.07670234	-0.112039596	0.8931023	-0.22503173	-0.38397548	-0.32815492	0.39297235	0.24982995	0.9994902	0.331592	0.4727634	-0.044495318	-0.21829599	-0.3334731	-0.5750796	0.60002154	0.1985315	-0.13102527	0.9994655	-0.32051954	0.6035188	-0.082450286	0.49507496	0.9983929	-0.8722926	0.27395374	0.30054852	0.1155187	-0.21981265	0.034533873	0.08130011	-0.20731992	-0.22143584	0.9908496	0.21431787	0.09412061	0.124733575	0.31546953	-0.25160518	-0.43476114	0.44519123	0.46644625	-0.3580097	-0.15064001	-0.25380248	-0.9688965	-0.2434409	-0.46275824	0.3245142	0.4964651	-0.69350296	-0.26993036	0.37990358	0.13696639	-0.9665342	0.56224996	-0.08419269	-0.096550055	-0.2586613	-0.033412125	-0.24392271	0.4815202	-0.442845	-0.14639121	0.39327928	-0.3528945	0.43073943	0.29039302	-0.49884972	-0.18274735	0.76214296	0.37211692	0.10394087	-0.03154323	0.24280527	-0.24477789	0.84357375	-0.9964884	0.23666672	-0.05610085	-0.22529422	-0.024342246	-0.014371271	-0.12636232	0.9983793	-0.061332174	-0.06987049	-0.06271664	0.3013487	0.60156375	-0.05273601	-0.67843294	-0.18702152	0.5617557	-0.39623305	0.20345713	-0.10279275	-0.36357516	0.2569675	0.005432033	0.8798126	0.38756964	1	0.2277453	-0.55068034	0.08629464	-0.6129054	-0.79324746	-0.38172573	0.38960364	-0.28954807	0.21967699	-0.3158847	-0.1217107	-0.028042428	-0.20509027	0.504256	-0.22892645	0.43358228	-0.5768391	0.3910443	0.44187805	-0.34828916	0.37417305	0.29872578	0.21569306	0.039248865	-0.6539322	0.31962058	0.058072403	0.4727431	-0.117880754	-0.13384238	-0.69914055	-0.001512459	-0.49424103	0.28895083	0.1122929	0.6167404	0.5136364	0.14835308	0.11209793	0.010547025	0.99996084	-0.15405056	-0.99712235	0.019867172	0.9996055	-0.69593143	0.005648659	-0.99797976	-0.117026396	0.29086858	-0.010262709	-0.10780788	-0.24029577	-0.167925	0.36736125	0.47438294	0.1519227	0.459104	0.021551736	-0.001729309	0.12007713	0.0606713	-0.9999694	-0.9993727	-0.9900435	-0.08008629	-0.27521002	-0.3903817	-0.038369212	-0.42050818	-0.6592492	-0.17471924	-0.46596128	0.15320617	-0.7243086	-0.00380981	0.40341577	0.46338677	0.094693914	0.3003601	-0.37679827	-0.97590417	-0.99989516	0.12662593	-0.2363297	0.30234393	0.30244356	0.40455216	-0.96335655	0.11105552	-0.26349986	-0.26976776	-0.07338366	-0.40746126	0.3778414	0.95715946	0.08345719	0.940471	0.27062702	-0.3854309	0.062297072	-0.73294294	-0.29729486	0.22153394	-0.13246304	0.044381063	0.8933976	0.62831545	-0.4628712	-0.12223909	0.12450497	-0.74257636	0.5371889	0.47476962	-0.5945262	-0.018520685	-0.25173998	-0.6334562	-0.1380456	0.20342316	-0.112427294	-0.04184042	0.39511538	0.99991274	0.67538434	-0.14023937	-0.3855401	0.14913651	-0.10671945	-0.055033058	0.14749223	-0.024769757	0.4872349	0.3845172	0.6146727	0.21240433
56	0	O=C(O)CCCOc1ccc(Cl)cc1Cl	-0.5867615	-0.23454894	-0.58395106	0.40216213	-0.0298434	-0.5047647	-0.20079792	-0.39881256	0.21102637	-0.18904297	-0.3753273	0.12010264	0.10746416	-0.56925774	0.0733515	-0.30536482	0.77099067	0.24119453	0.744912	0.098265	0.35431078	-0.77523345	-0.1787752	0.033565894	-0.23044515	-0.09885389	0.39943138	-0.033488028	0.16586068	-0.17518896	0.20335637	0.62910193	0.18646489	-0.43737552	0.41856384	-0.63453513	0.011587454	0.28006116	0.7306993	-0.8876778	-0.9951083	0.34897184	-0.34173515	0.5633559	0.24210595	-0.98761564	0.05650648	-0.20845492	0.7653651	-0.050864384	0.6368198	0.10948835	0.22375955	0.03520042	-0.7705164	-0.56104094	0.6640206	0.9341667	0.25583786	0.5148291	-0.34631523	0.04227364	0.11349883	0.3780573	-0.38494083	0.35148004	0.30566296	0.16814432	0.08900616	-0.2907033	-0.7819872	-0.93884814	0.013166	0.071252376	0.6074531	0.4133373	-0.24115111	0.22266765	-0.10075741	-0.99938184	-0.3283407	-0.4711037	-0.7429216	-0.57587296	0.6779146	-0.5214198	0.49484748	0.35304445	-0.34996468	-0.28531617	-0.118017256	0.6498968	0.21412064	0.4955771	0.9883469	-0.35694945	0.21377656	-0.02494008	0.001987045	-0.47884855	0.5999099	-0.49170044	0.46893412	0.757168	0.6041967	-0.50118643	0.20111951	0.084299035	-0.87269276	0.27040905	-0.012608569	-0.51164126	0.32600325	-0.4600281	0.029790288	0.36822557	0.67318225	0.6407099	0.99857515	-0.080276236	-0.08080002	0.050551787	-0.2500739	-0.036597595	-0.2709836	0.3356337	0.39423364	0.24056898	0.14296992	0.9997625	0.47764313	-0.3158723	0.57888836	0.130709	-0.33756545	-0.7720789	-0.27293566	-0.069143526	-0.31735694	0.006295155	-0.9985677	-0.1990494	0.9678068	-0.2975005	0.18685123	-0.014160223	-0.18235576	-0.22717889	0.9787113	-0.1397436	-0.13226177	-0.53668964	0.107592985	0.53515655	-0.43555278	0.13341029	0.22417967	0.9964212	-0.3891058	-0.66946477	-0.97911376	0.12225333	0.052841768	0.15269566	0.22067472	0.2815168	-0.43002206	0.097289935	-0.5904445	0.122748755	-0.030560333	-0.2580209	-0.43004698	0.3641527	0.76942915	-0.96935225	-0.6085581	0.24944358	-0.34791458	0.5161682	0.29369557	-0.7665261	0.08847648	-0.18456765	-0.8771396	-0.30351815	-0.2751499	0.37764037	-0.068893865	0.16738999	-0.19552387	-0.23882411	0.041977197	0.1397894	0.099440224	-0.32299566	0.37551963	-0.5192311	0.30458286	0.3151201	-0.44850725	-0.10647523	-0.6068026	0.555131	0.6532811	-0.21619037	0.27337134	-0.5174464	-0.053546183	-0.99102575	0.6776807	0.6775591	-0.005993994	-0.42164403	-0.42878616	0.07393067	-0.19720243	0.266683	0.40181428	-0.23588616	-0.6237526	0.13507825	-0.5393778	-0.23900318	0.9932361	0.09186655	-0.011492864	0.5063807	0.047808632	0.26863936	-0.23317109	0.2055138	0.14505903	0.08751957	0.22826152	-0.25630018	0.23312515	-0.039217863	0.22267282	0.3392358	0.8978783	-0.30095786	-0.11255975	-0.56433016	0.49934173	0.2932859	0.26693565	0.20864514	0.31956992	0.001155862	0.4530359	-0.9982747	-0.3421486	0.55646956	-0.1692494	-0.40162596	0.18894815	0.07409071	-0.23337984	0.024362618	-0.09411429	-0.16782692	-0.32126117	-0.7067611	0.60297835	0.30079237	-0.12980469	-0.21374582	0.5218116	0.08330845	0.47673383	-0.06378035	0.16854443	-0.021647712	-0.2807064	0.89738256	-0.5375291	-0.41434452	-0.2944672	0.39234623	-0.065490715	0.99943405	0.22211796	0.47051853	-0.20597492	-0.32787743	0.110050134	-0.109796524	0.6435928	0.3602797	-0.63317007	0.99897563	-0.20359291	0.167082	-0.14772527	0.6015526	0.99848324	-0.96164733	0.068230435	0.6224695	-0.055568185	-0.39960596	-0.20507582	0.2864042	-0.11561053	-0.43496856	0.95301795	0.52293324	0.44893482	0.03761596	0.393308	-0.33469564	-0.62600297	0.26107523	0.51149464	-0.31376967	-0.05853159	-0.121142656	-0.9731463	-0.12698708	-0.5649633	0.22449629	0.2097023	-0.8637741	-0.26796305	0.3290716	0.38867286	-0.97526723	0.44142488	0.37290043	0.09556356	-0.351608	0.038432747	-0.33603776	0.4063748	0.065753125	-0.44625157	0.69982314	0.26083142	0.5919043	0.067591555	-0.4722142	-0.0938824	0.69928527	0.51477635	-0.04884185	-0.18526751	0.090622805	-0.2671063	0.697374	-0.9963021	0.2930036	-0.36030817	-0.14609249	0.005965073	0.18711193	0.05388896	0.99934554	0.09307712	-0.12593839	-0.11615659	0.39494503	0.47983524	0.082262166	-0.76703644	-0.00410142	0.5459133	-0.5761599	0.1001452	0.3274061	-0.29905242	0.11924036	-0.3368491	0.8178112	0.001639003	1	0.23380558	-0.56838614	0.263685	-0.5385535	-0.5211132	-0.5369651	0.5632176	-0.3725737	0.3776317	-0.4669091	0.08086972	0.17668867	-0.004020646	0.37566447	-0.16081713	0.29485404	-0.5642879	0.23234978	0.67854714	-0.47089726	0.43121186	0.1904098	-0.48228937	-0.17421906	-0.55900574	-0.03175644	0.12632485	0.3362714	-0.096180126	0.15999682	-0.693858	-0.14199705	-0.5821961	0.47160172	0.13819736	0.28473693	0.26742318	0.35234845	0.032110725	-0.13050209	0.9999702	-0.06506716	-0.9942918	-0.05191851	0.99969983	-0.6941349	-0.27598783	-0.9985913	-0.0383232	-0.046300147	-0.5163611	-0.18909162	-0.15239605	-0.33782205	0.33977705	-0.11663655	0.04686937	0.63669765	0.10377271	0.028599748	0.16982275	0.19511484	-0.9999635	-0.9982747	-0.96965677	0.24424669	-0.03277462	-0.3487013	0.0811484	-0.40611744	0.17657156	-0.29783788	-0.2879304	0.5037839	-0.7126277	0.32066447	0.32356447	0.46933886	-0.1342625	-0.07278673	-0.2239337	-0.9308222	-0.99985355	0.0557836	-0.24906452	0.5918642	0.28997084	0.2713692	-0.9737119	0.081354916	-0.29197267	-0.20446098	-0.03932034	-0.4299745	0.65388954	0.9533194	-0.041197736	0.8701343	0.49384585	-0.5879516	0.08461505	-0.7027537	-0.12109031	-0.00723329	-0.31416446	-0.26241398	0.84894544	0.7390452	0.075534336	0.04533235	-0.030028647	-0.46147048	0.49281567	0.15541023	-0.7489366	-0.23024994	-0.061517015	-0.029220155	-0.255027	0.34402126	-0.14718944	-0.07468433	0.6174019	0.9999666	0.68485546	0.09283597	0.42895678	0.350272	-0.4876237	-0.23339947	-0.5016335	0.0732266	0.5754051	0.44385102	0.48559892	0.18732391
57	0	Cc1ccc(O)c(C)c1	-0.6599763	-0.3351719	0.034707975	0.34310484	0.17695326	0.049295202	-0.5151457	-0.47659835	-0.21717362	0.16794531	-0.7339257	-0.27077404	0.15481633	-0.603453	0.12986965	0.058859196	-0.26006493	-0.1530729	0.22109602	0.17553337	0.23022911	-0.89328283	0.6422773	0.001831474	-0.40249038	0.6722196	0.28193796	0.23578523	0.35130322	-0.18263698	-0.4820176	0.55468184	-0.10402674	0.10027348	-0.06623017	0.087859765	0.02711665	0.49887502	-0.8006675	-0.9439792	-0.99672896	-0.42376044	-0.24392925	-0.31215987	0.5011838	-0.99722636	0.2979338	-0.007024537	0.9562277	-0.07035734	0.3831244	-0.20691763	-0.13525441	0.27414122	-0.9494984	-0.09432411	-0.5253724	0.97214824	0.3220673	0.35844964	-0.6401282	-0.5467152	0.51405436	-0.34062907	0.14864483	0.3654127	0.22310205	0.71834224	0.14404675	0.39384022	0.7894624	-0.9886311	-0.460212	0.43198785	0.7461339	0.41059124	-0.10476537	0.034428928	0.1675531	-0.997816	-0.8231654	0.18487053	-0.7691143	-0.26901874	0.07763287	0.5545664	0.45601776	-0.30156642	0.19735233	-0.014458615	0.55147916	-0.00764921	0.000688828	-0.1585406	-0.02349614	0.029319948	0.04235314	0.14230031	0.36912128	-0.22604756	-0.31259564	-0.14654332	-0.076585814	-0.77355033	0.9867771	0.3117198	0.04028338	0.29262352	-0.91748273	-0.046961334	-0.38168532	-0.23432106	0.122328736	-0.26511303	0.17153017	0.5373158	0.42196465	0.225474	0.9992161	-0.24517775	0.09006499	-0.032140423	-0.24350002	-0.09541659	-0.245445	-0.002726211	0.071094535	-0.18106788	-0.22339444	0.99812555	-0.20495582	-0.18830112	-0.022858107	-0.3434206	-0.17244469	-0.16989575	0.50324285	0.39759737	-0.67365646	-0.08088845	-0.9967935	0.12731117	0.99541295	0.6305209	-0.38746962	0.401532	0.39072204	-0.13403426	0.99811196	-0.004853787	-0.08858547	-0.584677	-0.09005261	0.20958447	0.2576086	-0.09199464	-0.39760032	0.9994964	-0.26711854	-0.57960135	-0.99424	-0.29154256	0.07169459	-0.10837465	0.03704027	0.194932	0.57507473	-0.03686484	-0.014377345	-0.20386867	-0.69394046	-0.5570067	0.4065218	-0.41840363	-0.35644126	-0.98054737	-0.861905	-0.120756805	-0.67303765	-0.22890581	0.53812885	0.5129696	-0.027858535	0.3198344	-0.95037466	-0.33114225	0.27971125	0.4742654	-0.30369294	-0.45266083	0.83767116	0.2911787	0.20269199	0.17166044	0.07088843	-0.5040721	0.16884467	-0.37014347	0.002001519	-0.3024679	-0.49224225	-0.24229507	-0.503282	-0.14597315	0.16583404	-0.15377563	0.32666093	0.1389638	-0.27083302	0.10464321	-0.11016477	-0.22958615	-0.030925851	-0.4349469	0.24063413	0.012578683	0.029651796	0.4346121	-0.351195	0.26125893	-0.09528946	-0.024026042	0.00603509	-0.2195553	0.9983155	-0.007539759	-0.010552521	0.37203652	0.17466506	-0.4357035	-0.3344435	-0.5895726	0.608778	-0.30572334	-0.28670412	-0.5729837	-0.40404052	0.39911383	0.08545848	0.43862155	0.9296393	0.07809353	-0.25069347	-0.7515835	0.52191037	-0.13353185	0.18927912	0.62191284	-0.4261619	-0.29016438	-0.28135622	-0.99757516	0.020160303	0.22399713	0.15406786	-0.41740042	0.083019316	-0.0466603	0.12592766	0.2624832	-0.52569526	0.487793	0.12425534	-0.44432664	0.3727915	-0.17896782	0.14958274	0.20418115	-0.60597026	0.58066744	-0.35985303	-0.8829649	0.25999856	0.37617996	-0.07863732	0.124304846	-0.49966508	0.059165962	-0.004387406	0.02111915	0.004437881	0.9995335	0.07584706	0.63055944	-0.019157927	0.0753622	-0.27228808	-0.46756548	0.59409696	-0.04211416	0.041032877	0.99961656	0.067544565	0.8202365	0.12036922	0.018998144	0.99798656	-0.8921401	0.3274822	-0.3095806	0.014787764	-0.010524435	-0.03838989	-0.2797355	0.20411865	-0.6503514	0.999423	0.17226568	-0.6583954	-0.15021257	-0.21899419	0.29327214	0.36635786	0.14680526	0.9161062	-0.5827032	0.28073254	-0.11683537	-0.9654135	0.004447073	0.16005343	0.6107709	0.30856863	-0.47621012	-0.35010475	0.24925235	0.29920256	-0.93045676	-0.2436842	0.2414916	0.21937868	-0.21180521	0.19375013	-0.053532664	0.27756855	-0.052827876	-0.16394037	-0.034282096	-0.17681544	-0.14846009	0.19306187	-0.32169873	0.1505825	0.51932234	-0.27603582	0.3381935	-0.4956039	-0.6266637	0.2746372	0.9744688	-0.99606353	-0.18892169	-0.7444418	-0.23131448	-0.005065606	-0.039479278	0.52190304	0.9602745	-0.34952646	-0.4352073	0.10820826	0.62294734	-0.054511003	-0.16631363	-0.67596775	0.4417539	0.61345816	-0.34297812	-0.26425982	0.032936513	0.44048992	0.28244686	0.38677347	0.9689623	0.029545162	1	0.16329755	-0.1806995	0.03972234	-0.37600416	-0.936879	-0.062008414	-0.06454803	-0.496497	-0.62320197	-0.34009364	0.37256616	0.18399334	0.30250853	0.78301924	-0.086118974	0.5859754	-0.03441957	0.38517112	-0.46783134	-0.19198167	0.2314441	0.40062213	0.8649542	0.29522875	-0.97543675	0.19944257	-0.3649326	-0.20849687	-0.014518009	-0.46522248	-0.357796	-0.3660134	-0.35085592	-0.28809226	0.50973755	0.4710656	-0.47614497	-0.26777306	0.3351082	-0.018518597	0.99987787	0.1571482	-0.99538547	0.028940752	0.9977405	-0.15046513	-0.19380188	-0.9969845	-0.34768927	0.8130873	0.60094357	-0.011544578	-0.62187904	0.02224829	-0.100119814	0.45542178	-0.24542497	-0.62150043	-0.3947145	0.18223877	0.5109925	0.005478134	-0.99994963	-0.9994821	-0.9965637	-0.124300644	0.17461406	-0.04371634	-0.06449209	-0.36438778	-0.7430093	0.18370342	0.20182002	-0.19796963	-0.7879878	-0.5672942	0.3749001	-0.16589591	0.39338169	0.17333625	-0.27067408	-0.99586123	-0.99993026	-0.4475489	-0.3267713	-0.11822812	0.08578641	0.184787	-0.99071246	-0.17565772	-0.42772514	0.05721973	-0.0000464	0.07017377	-0.45850843	0.9253035	0.18478921	0.87117773	-0.1972266	0.7083094	-0.112388626	-0.8434825	0.034624748	0.41254008	-0.62358004	0.25158057	0.28574413	-0.5902492	-0.45384738	0.087721586	0.15149668	-0.5443432	-0.04088826	0.37664616	-0.34896773	0.10034175	-0.003111449	-0.9820813	-0.12118442	0.1481795	0.0696654	0.113728374	0.28730297	0.99900955	-0.12304019	0.07126328	-0.27385473	0.6902361	0.5451034	-0.050669216	0.92764765	-0.31443036	-0.23539948	0.14579622	0.80369925	0.02310178
58	0	Cc1ccc(C)c(O)c1	-0.6841592	-0.53507125	0.20519762	0.35747266	-0.14974949	-0.04402121	-0.5101147	-0.38859394	-0.17771772	0.010110972	-0.72710085	-0.6684608	0.3192773	-0.7583751	0.09085235	-0.055843223	-0.14337638	-0.35128045	0.3506372	-0.43291068	0.30695987	-0.9182944	0.47061467	0.03345781	-0.27408054	0.5308941	0.42197406	0.19647875	0.42356345	-0.17403446	-0.5933507	0.61621684	0.43137378	0.13436443	-0.06772183	0.007906439	0.019463312	0.64453757	-0.7450583	-0.9568736	-0.9962185	-0.76524985	-0.05722846	-0.13668182	0.54434955	-0.99706936	0.07886814	0.14539646	0.9769913	-0.2614388	0.37783518	-0.2135963	0.04048663	0.6243599	-0.96143514	0.08141303	-0.5372478	0.96845955	0.2461617	0.1505379	-0.65580446	-0.63834995	0.43140557	-0.21411324	-0.002516352	0.417391	0.16661552	0.6727634	0.33779994	0.4763594	0.8469708	-0.99028623	-0.5539926	0.45546103	0.6272556	0.27127692	0.27194867	-0.023120346	0.3166386	-0.99620456	-0.8291914	0.26521337	-0.81966215	-0.134468	-0.103701696	0.5055838	0.3661097	-0.53354716	0.19188538	0.17501555	0.49843842	-0.13686939	0.062251244	-0.024151238	-0.13305086	-0.1873312	-0.02094789	-0.11052461	0.6469275	-0.28886014	0.08307335	-0.123615555	-0.08676621	-0.81118673	0.98600125	0.31862348	0.1186829	0.4942369	-0.8927673	0.125292	0.15720041	-0.21274012	0.1446269	-0.4804135	0.22487159	0.6214824	0.57402116	0.13756658	0.9991889	-0.14337495	0.014733925	-0.010086902	-0.16674316	-0.22697224	-0.28627452	0.17552666	-0.023194933	-0.04640121	-0.19516326	0.99862397	-0.38473818	-0.29919857	-0.117063135	-0.30433807	-0.43906862	-0.0760174	0.63497275	0.23460208	-0.7687863	-0.15459797	-0.9953895	0.17103237	0.9953471	0.4610329	-0.43607944	0.6102842	0.31249925	-0.04217219	0.9979682	-0.09737619	-0.033744212	-0.7104113	-0.054669507	0.04128678	-0.056978013	-0.37337187	-0.13438438	0.9994343	-0.25614768	-0.6033684	-0.9944795	-0.2494209	0.049733818	0.113746084	0.04563545	0.20857309	0.6054386	0.20403156	0.09681572	-0.14692084	-0.70160556	-0.6286406	0.12880725	-0.6047007	-0.27399492	-0.9792687	-0.83130604	-0.5327472	-0.7606618	-0.21970613	0.4896904	0.45940703	-0.059933864	0.12382882	-0.94752413	-0.6019699	0.5956169	0.32291	-0.3881478	-0.38065082	0.82925916	0.40299743	0.08125973	0.026466548	0.28773233	-0.532119	0.14079599	-0.31949526	-0.07177636	-0.37041658	-0.47755247	0.012518343	-0.3497659	-0.14600275	0.27364412	-0.1786204	0.2417748	0.20449923	-0.48956957	-0.04534482	-0.0850363	0.0225364	0.007768853	-0.3689322	0.3337532	0.053625394	0.08435831	0.36860254	-0.2287987	0.37287134	0.05508985	-0.2787839	-0.08028239	-0.47405538	0.99888885	0.46814534	-0.20158997	0.040590055	0.23324496	-0.6218506	-0.19652827	-0.44690838	0.66975164	-0.062069904	-0.49564478	-0.6247906	-0.2492809	0.36565518	-0.3999494	0.413657	0.9268937	0.033737924	-0.36691087	-0.6380284	0.4920229	-0.12391515	-0.10874572	0.6685927	-0.45579055	-0.33256432	-0.47749516	-0.9974456	-0.10663889	-0.012690811	-0.16783133	-0.14022197	0.2573926	-0.13753246	0.25609508	0.15079106	-0.595886	0.5511684	-0.085600294	-0.43160856	0.3293896	-0.14181082	0.37175354	0.13790804	-0.6946667	0.6940395	-0.2580403	-0.900533	0.1350807	0.3194166	-0.15922536	0.10037621	-0.3219051	0.21844736	-0.027258845	0.12595464	0.2846868	0.99937904	-0.062432814	0.6310734	-0.092582494	0.08974829	-0.48509055	-0.4809986	0.58021265	0.015547519	0.12025982	0.9995219	-0.07845434	0.8559661	0.005799509	0.17738134	0.99519104	-0.9065834	0.4470058	-0.17895558	-0.27225196	-0.026791787	-0.07201902	-0.08927908	0.13531037	-0.7802408	0.9994077	0.1137149	-0.6706719	-0.08070797	-0.07558516	0.4119092	0.077210076	0.29268673	0.90203315	-0.53571147	-0.10020688	0.007816455	-0.98371947	-0.121597335	0.17263007	0.58642876	0.14312208	-0.45023933	-0.42184424	0.123283386	0.30011195	-0.8920313	-0.4196552	0.21280435	-0.17232391	-0.51415527	0.3703146	-0.25163066	-0.11213995	0.059516158	0.04675406	-0.065784894	-0.15484415	-0.14366283	0.036454856	-0.4267473	0.48480415	0.6366515	-0.23860937	0.55360955	-0.38909844	-0.4223973	0.33921114	0.9724954	-0.9956572	-0.32108915	-0.8124241	-0.13011026	0.07993504	0.13020863	0.3460851	0.96528864	-0.28500932	-0.51164144	-0.116303906	0.31913638	-0.5585576	-0.5224478	-0.6803092	0.12493197	0.37364578	-0.3755363	-0.33640572	0.001828029	0.43817964	0.16532975	0.4699809	0.9717402	-0.12902239	1	0.20891763	-0.44465548	0.07432619	-0.33781397	-0.960271	-0.08708707	-0.1395507	-0.5420049	-0.57275563	-0.24223022	0.12620576	-0.046997502	0.16712542	0.7564557	0.09448944	0.4984794	-0.041667294	0.48464537	-0.18319358	-0.21909577	0.014231956	0.3668486	0.9089033	0.42155656	-0.97153395	0.011801625	-0.33754393	-0.36360717	0.023770431	-0.60634744	-0.43671983	-0.32287613	-0.3146135	-0.26733306	0.61491436	0.34952512	-0.2657673	-0.25097868	0.35955235	-0.40051824	0.9999503	0.12807134	-0.99558246	-0.06994557	0.9970398	-0.12410262	-0.20346744	-0.99744296	-0.5718825	0.7360116	0.5636625	-0.111569	-0.50054014	0.081577316	0.53846014	0.47756064	-0.21040107	-0.7148538	-0.44438627	0.31144512	0.43825614	0.37765038	-0.9999386	-0.99943703	-0.9966062	-0.00883253	0.10736629	0.20893624	0.004429794	-0.5789494	-0.7836792	0.3842569	0.19182111	-0.13017808	-0.80416393	-0.6235974	0.31038213	-0.20235279	0.069063164	0.19728316	-0.36037913	-0.9952596	-0.9999141	-0.35362506	-0.32035932	-0.21374428	0.05271991	-0.031140806	-0.99126995	-0.09150993	-0.51289475	0.035116114	0.37780446	-0.21537319	-0.5512157	0.91478854	0.21806051	0.87185615	-0.007412381	0.81352854	-0.16763893	-0.8657445	-0.006098439	0.08413087	-0.55581033	0.31387764	0.12088645	-0.56073886	-0.4333382	-0.10854726	-0.07874814	-0.28480577	0.15323684	0.47937796	-0.17480434	-0.055019297	-0.14720123	-0.9786672	0.10740754	-0.08603952	0.07702192	-0.043087095	0.16220461	0.9990688	0.12647401	0.14981145	-0.03219338	0.40336728	0.32969937	-0.3710265	0.93433744	-0.25622788	-0.098457776	-0.022521729	0.77792	0.10703111
59	1	CC(C)(C)c1cccc(C(C)(C)C)c1O	-0.7526853	-0.6670357	0.13425669	0.29560483	0.18866202	-0.43607	-0.6449063	-0.08307233	0.15139836	0.06574428	-0.8219499	0.36995706	-0.0345934	0.43479604	-0.29842293	-0.72557753	-0.273029	-0.5420231	0.67150146	-0.7152049	-0.08925371	-0.6513327	0.17532828	-0.46129227	0.15593837	0.593127	0.20363617	0.3107693	0.7440904	-0.115909755	-0.7995051	0.72906995	0.04908775	0.3219015	-0.40884998	0.7496194	0.50995404	0.6526185	0.93671554	-0.9028988	-0.9915926	-0.2932552	0.33729997	-0.030874046	-0.056158956	-0.98341393	-0.3198539	0.05434649	0.98400044	-0.52772754	0.5621896	0.1677094	-0.014414702	0.24471863	-0.9737041	0.2541029	-0.7627211	0.63530403	-0.065288715	-0.11505554	0.107159376	-0.30798033	0.32322365	0.062824495	0.4495433	0.45801353	0.28254613	0.40276778	0.16025765	0.4867753	0.85599685	-0.5430559	0.3545322	0.24259385	0.795647	-0.4693951	0.30001417	-0.07047423	0.4313094	-0.99830264	-0.25673345	0.2856139	-0.6426926	-0.04754457	-0.01359436	-0.8161419	-0.22453628	-0.48756203	0.24980287	0.353181	0.3254306	0.15927896	0.518462	-0.24944378	0.5483265	-0.5712653	0.7260708	0.29186043	0.75215995	-0.45312956	0.49322537	0.30718654	0.32213044	-0.5974519	-0.30581722	0.54218745	-0.05741981	0.32173687	-0.91896546	-0.64455307	-0.47390714	0.28233537	0.007618561	-0.61185676	0.06815341	0.6212127	0.43614978	-0.028507039	0.999002	-0.20108196	0.4669966	0.019842932	-0.09956609	-0.051501866	-0.061480995	-0.21042761	-0.43074214	-0.22019862	-0.33471546	0.99995434	-0.63707834	0.53303945	0.373124	0.042672902	-0.34848702	-0.70876	0.44352052	0.79327434	-0.8451678	-0.5328382	-0.9973887	0.59765697	0.99646175	0.6271778	-0.5348867	0.657097	0.36777127	-0.2759933	0.8749795	-0.4075748	-0.1545361	-0.854149	0.21621588	-0.009978098	-0.33207142	-0.17109486	-0.5120023	0.98876315	-0.9100459	-0.7372528	-0.978564	0.39471805	0.39696875	0.07702506	0.38536724	-0.17440633	0.6856888	0.46827775	0.4087102	0.37312865	-0.8649343	0.055392627	-0.37430188	-0.14572957	-0.13617139	-0.98147786	-0.8843498	0.5225896	-0.41009626	-0.120844305	-0.414367	0.5583576	-0.463157	-0.34275636	-0.59625155	-0.55191624	-0.08980764	0.19886126	-0.13141137	-0.6495556	0.77010876	0.7364868	0.1702288	0.77866083	0.20597538	-0.102893025	0.43226182	-0.6212043	0.20894797	-0.5583833	-0.33672714	0.25994474	0.107385375	-0.41186297	-0.04166573	-0.26101726	0.6444946	0.033180285	-0.08674451	-0.9973345	-0.35264876	-0.42156023	0.6473615	-0.007785542	0.7562231	0.29296273	0.5605187	0.059263684	-0.33367723	0.02443911	0.045299705	-0.6966649	-0.56733924	-0.6905622	0.97933006	0.036735255	-0.2584954	-0.6646227	-0.11297593	-0.11699292	-0.02724448	0.21485262	0.44510296	-0.4524347	-0.05889201	-0.14906082	0.010251071	0.045785405	-0.796689	-0.24658826	0.859886	0.5711149	0.057572205	-0.7277952	0.17182985	-0.52128386	-0.48336017	0.3500161	0.29077354	-0.06109892	0.002238629	-0.99870795	-0.74170214	0.60489744	0.41525936	-0.6096165	-0.6765813	0.1740081	-0.5583948	-0.33975798	-0.4976927	0.6531511	-0.38138545	-0.4681385	0.49355373	-0.44176397	0.015092624	0.10751564	-0.18953131	0.6473916	-0.5566454	0.52070946	-0.08706272	0.3352235	-0.18406759	-0.39992204	-0.2963324	-0.30757153	0.281003	-0.85861295	0.65403277	0.9994324	0.031024382	-0.05425055	-0.15365735	-0.11715015	-0.071089365	0.77854925	0.68391526	-0.35107347	-0.27762905	0.9976671	0.36356086	0.92327183	-0.2124863	-0.59262466	0.9975248	-0.9980666	-0.30600056	-0.09350275	0.2538105	-0.13064806	-0.41544244	-0.6727851	-0.26400635	-0.9395194	0.9208659	0.13651754	-0.290078	0.2896404	0.073042184	-0.62585974	-0.20342544	0.22604167	0.9254836	-0.6161099	-0.24078377	-0.6958933	-0.9925839	0.1163937	-0.028288195	0.064283825	0.5081131	-0.5523803	-0.24815832	-0.202181	0.45962018	-0.97845256	-0.053228214	0.44642207	-0.23993097	-0.2959156	0.39344457	-0.6486732	-0.3153204	0.93849164	0.2833907	0.13383123	-0.20016482	0.35418648	-0.21007444	0.0783963	0.6842578	0.10432252	-0.45445442	0.20690905	-0.29241812	-0.31445667	0.080255836	0.61232394	-0.993223	-0.1548878	-0.6181642	0.16709821	0.71103656	-0.59712476	-0.026444428	0.99973446	-0.25663915	-0.54599684	0.5779087	-0.4883824	-0.69897336	-0.20579164	-0.9082338	0.48854128	0.17083138	-0.10880603	-0.42387357	0.04468255	0.37041432	-0.30279246	0.5939321	0.8823947	-0.76249087	1	-0.011952716	-0.40067875	-0.35105675	-0.032922905	-0.8736057	-0.21229799	-0.35531232	-0.56659174	-0.40847915	-0.2309817	-0.39238086	0.1929759	-0.068636246	0.840401	0.46408945	-0.29740676	0.0795682	0.13777284	0.624763	-0.7970474	-0.3195356	-0.41598433	0.904578	-0.3626514	-0.97029036	0.48886952	0.038409587	0.04777172	-0.009818813	-0.6671186	-0.70668703	-0.7489881	-0.5885035	0.032202393	0.5644541	0.32504907	-0.16187486	0.42476037	-0.4250153	0.27561563	0.9999857	0.18857384	-0.99442494	-0.06969226	0.9997546	-0.7125685	-0.27017394	-0.999604	-0.6443698	0.4310936	0.672795	-0.25278735	-0.6448634	0.7172991	0.4238477	-0.8089986	-0.54354006	0.046102963	-0.2705481	-0.11433481	-0.17664899	-0.2678413	-0.9999696	-0.9993434	-0.981947	-0.106177844	-0.5968505	0.66928434	0.20531715	-0.90159893	-0.87265354	0.08368984	-0.16639018	-0.45196822	-0.71145564	-0.7260811	0.39043075	0.073894985	0.6192777	0.45947474	-0.6459975	-0.8793601	-0.999956	-0.37750515	0.0986497	-0.49128056	0.07254156	-0.34786814	-0.99724054	0.37193686	-0.44473526	-0.00844883	0.29263374	0.39402473	-0.2821418	0.9730642	0.036815472	0.029345565	0.5570301	0.4764442	0.030603606	-0.79397327	0.6384316	0.3022932	-0.54091716	-0.40853196	-0.68335307	0.46796423	-0.06893604	-0.55427235	0.09045601	-0.1664274	-0.02767869	0.63779795	0.23386806	-0.26679164	-0.008412113	0.3086627	0.5603878	0.5020141	0.05345444	0.26649195	0.36640936	0.99890184	0.7779077	0.50660574	0.065289184	0.024076609	0.09985976	-0.26304078	-0.7855979	-0.29482573	0.08456008	0.6387037	0.7615559	-0.12160157
60	0	Cc1cccc(C)c1O	-0.5002446	-0.3759997	-0.013662854	0.48513132	-0.08726733	0.04365525	-0.54592955	-0.45619303	-0.17141254	0.28788808	-0.7299579	-0.49301487	0.24852602	-0.6462821	0.08297558	-0.29319602	-0.17079182	-0.21343708	0.5302877	-0.3460928	0.2672334	-0.91647136	0.3623923	0.1990522	-0.1809478	0.27843454	0.3867132	-0.1716863	0.06928336	-0.11164778	-0.6851094	0.70251894	0.111444026	-0.058923967	-0.4995124	-0.11822873	0.313808	0.5851202	-0.79806155	-0.9374783	-0.9925657	-0.65508395	0.18159032	-0.07407906	0.38780454	-0.9957657	0.1409564	-0.10851019	0.9615765	-0.33543447	0.021249743	-0.26699388	0.4939125	0.54544574	-0.9562717	-0.21200773	-0.5973994	0.97128606	0.15244646	0.31083423	-0.5314	-0.20763354	0.2257144	-0.036226306	0.5390633	0.487765	0.09405958	0.58349115	0.30616	-0.018200718	0.88171166	-0.9860254	-0.32822442	0.37606373	0.5246109	0.36138335	-0.22561161	0.15510647	0.24296138	-0.99504954	-0.6484503	0.023798788	-0.7697657	-0.21550854	0.10292439	0.6348275	0.2918127	-0.52046585	0.3048404	0.19627838	0.42111933	0.15687624	0.21865693	-0.18916346	0.008299117	-0.35144934	0.22094724	-0.011050036	0.7641495	-0.3947295	0.29961523	-0.25013298	0.14086598	-0.83119565	0.9854212	0.2698465	0.2011703	0.20683827	-0.76935786	-0.15860365	-0.17291588	-0.068672426	0.29134434	-0.1709288	0.11067228	0.53991145	0.67230743	-0.03870022	0.99745524	-0.2708073	0.07372684	-0.10158737	-0.24484128	-0.20461957	0.1257844	-0.004898584	-0.47645733	0.14200172	-0.15153901	0.9985842	-0.38853097	0.04613702	-0.23663664	-0.07619742	-0.16234653	0.010804086	0.68098366	0.33289838	-0.6627167	-0.0613662	-0.99058914	0.30809176	0.9938568	0.52735794	-0.48701635	0.7192916	0.55790323	0.13622867	0.9966815	-0.1720134	-0.13564338	-0.53666085	-0.037369702	-0.050888065	-0.019106591	-0.45100865	-0.27828512	0.99894756	-0.27388623	-0.80703884	-0.9898825	-0.32479125	0.4043925	-0.008655407	0.16575566	0.13816608	0.5302894	0.40940177	0.21277274	0.44299656	-0.78703994	-0.24505964	-0.31911692	-0.35735437	-0.11949704	-0.9714379	-0.89498395	-0.20857395	-0.5721053	-0.24878582	0.28946915	0.35443124	-0.1155271	-0.284837	-0.9374795	-0.5951979	0.0433286	0.45382172	-0.40601167	-0.3131169	0.8191014	0.6453285	0.2980555	0.40273213	0.23911768	-0.4215012	0.21759081	-0.5137754	-0.30923465	-0.43562746	0.19142604	0.10095703	-0.41293502	-0.11653824	0.21931806	-0.12740503	0.6480443	0.35213625	-0.518043	0.02054597	-0.14907126	-0.07462177	0.44128868	-0.36395332	0.45321184	0.029162727	0.2088628	0.43608785	-0.046863034	0.27029568	-0.40972352	-0.29040542	-0.054610804	-0.23182556	0.98473126	0.06903396	-0.3967726	-0.16174646	0.20446777	-0.67991817	0.000538148	-0.49572065	0.5878383	-0.52841955	-0.074411295	-0.6214269	-0.27575764	0.44160864	-0.43454254	0.15993635	0.894073	-0.2617277	-0.4663995	-0.57020545	0.5886201	-0.4203064	0.06715314	0.70078534	-0.123724766	-0.37249213	-0.17998563	-0.9965355	-0.1569375	-0.05776793	0.06485099	-0.03521757	0.11729968	0.14980493	-0.07518276	0.10268599	-0.53195465	0.43466717	-0.16910553	-0.15710732	0.028452722	-0.22795549	0.1527516	0.1615783	-0.6159486	0.56465614	-0.4324135	-0.9333314	-0.05953433	0.24942715	0.24710625	0.063106135	-0.4145791	0.049899787	0.14899239	0.26681313	0.124166265	0.99852705	-0.19588274	0.7167127	-0.17835449	0.096128345	-0.39408258	-0.24435169	0.5862437	-0.14997375	-0.64118207	0.9988467	0.3151283	0.85834527	0.052901108	-0.029213192	0.99559844	-0.8837255	-0.05625103	-0.28839692	0.11842476	-0.19823591	0.1746282	-0.24997245	0.10774526	-0.7363774	0.99918747	0.025063524	-0.5497774	-0.031619754	-0.29497984	-0.39658895	0.4003385	0.24422388	0.91863066	-0.576659	-0.05775842	-0.34658968	-0.989399	0.12739334	-0.089145616	0.7872721	-0.098198295	-0.35397857	-0.5611388	0.04404127	0.3652793	-0.91106564	-0.45537105	0.267733	-0.059156317	-0.3661445	0.39970863	-0.07353652	-0.0014981	0.31138885	0.21491745	0.15026021	-0.36515653	-0.32651564	0.24059314	-0.24502772	0.5672806	0.5648998	-0.16915198	0.4746221	-0.044537585	-0.15842323	0.4246041	0.9699717	-0.9940203	0.045826267	-0.6299772	0.069050424	0.30180883	0.096492045	0.13713539	0.9628277	-0.4256937	-0.56514865	0.365523	-0.08597966	-0.39490154	-0.2999624	-0.71039593	0.38388112	0.30406928	-0.5218406	-0.405802	-0.19678096	0.3279059	-0.33869854	0.4757461	0.9759004	-0.51279634	1	0.023445599	-0.14553766	-0.19292492	-0.258733	-0.94880253	0.001542896	-0.003381657	-0.46023682	-0.720935	-0.30015245	-0.32150155	-0.19108179	0.011041422	0.7106161	0.17816746	0.23419702	-0.17042372	-0.003462418	-0.09079485	-0.31605837	0.4185687	0.42241523	0.915442	0.29683262	-0.96863836	0.4146786	-0.39843312	-0.36873242	0.21666516	-0.45073673	-0.38548455	-0.31955042	-0.14029743	-0.34435603	0.6562269	0.053496942	-0.091528915	-0.35911205	0.17413694	-0.37633917	0.9999267	-0.08665199	-0.99622613	-0.20491092	0.9934265	-0.1503613	-0.17996365	-0.99783206	-0.54753417	0.68597275	0.531657	-0.137344	-0.41477832	0.33841363	0.43113652	0.5401263	-0.06510506	-0.61613685	-0.28219777	0.22207001	0.39035335	0.096574195	-0.9996823	-0.99956024	-0.9943211	-0.07112989	-0.08339722	0.6625976	0.16244377	-0.6659774	-0.7925477	0.40870702	0.58254325	-0.5319894	-0.77113533	-0.7510378	0.28438497	0.11133572	0.11284798	0.31125697	-0.63506466	-0.9930889	-0.99971515	-0.55828726	-0.053136013	-0.4437335	-0.13109401	-0.13377824	-0.9898563	-0.40938985	-0.5518865	0.006075754	0.44078407	-0.28654134	-0.5068929	0.9364658	0.5826349	0.802371	0.16917796	0.6749107	0.16283558	-0.8409697	0.36079672	0.37032676	-0.4962115	0.51082695	-0.3904308	0.055707157	-0.48577642	0.24841647	-0.10653575	-0.5241747	0.06707245	0.4313935	0.112660915	0.17338356	-0.13039188	-0.9782044	0.1530556	0.015940363	-0.06876011	0.16524448	0.23134467	0.9898527	0.041802924	0.34558415	0.014026684	0.66035247	0.5222564	0.055036016	0.93887687	-0.13375601	-0.29126814	-0.08132115	0.80769265	0.21392429
61	0	Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	-0.16528976	0.121256955	0.11424164	-0.39365524	-0.5311124	-0.26259872	-0.656071	0.060357988	0.38787457	0.5895034	0.051289793	0.4434589	-0.13172325	0.52499646	-0.8214443	0.32338354	-0.5177629	0.2722494	-0.668367	0.73635656	0.84216475	-0.5031136	0.18198307	0.48837182	-0.45694128	-0.15929855	0.40513352	0.33176473	-0.25020638	-0.28387815	0.22484241	0.46751672	-0.60879606	0.34707415	0.38139218	-0.42150655	0.48099753	0.5398295	0.7377881	-0.42889762	-0.9970107	-0.5040434	0.08626629	-0.26280695	-0.46081504	-0.99515814	0.37987924	0.22406161	0.97886604	-0.50987655	-0.24531372	-0.12106575	-0.5140474	0.3311911	-0.8505709	0.11765691	-0.71625346	0.8165842	0.04199398	0.43421718	0.045951895	0.4755179	-0.28967977	-0.35218078	0.3325738	0.6892133	0.77033377	0.41359	-0.16486134	0.23165442	0.6640106	-0.996674	0.048459142	0.030715177	-0.6769262	0.45169413	-0.37257585	-0.068696745	0.09490051	-0.9995318	0.5995117	-0.6051161	-0.9624956	-0.7310154	0.077506624	0.6335774	0.004732252	0.47989455	-0.8489723	0.10378128	-0.39121854	0.03435657	-0.2394438	-0.21348989	0.9977502	-0.4395725	-0.16453351	-0.26902586	0.8308133	-0.29132158	0.48829648	-0.30474576	0.13251767	-0.6563459	0.657916	-0.82057464	-0.09246819	-0.16362253	0.99620396	0.21921259	0.22717856	-0.11434534	-0.4937975	0.17712732	0.22573248	-0.27703503	0.10055583	0.032522835	0.9997584	-0.5797212	0.19252631	-0.65985364	-0.2450854	-0.5994915	-0.50994235	-0.16376664	-0.17015374	-0.3278434	0.1685842	0.98991245	-0.4654572	0.20873562	0.033822235	0.2829759	0.51942515	-0.9508854	0.6583653	-0.28518593	-0.7694238	-0.4036179	-0.99259526	0.22832987	0.6741771	-0.20434384	-0.07785094	0.27529505	0.51626855	-0.052999683	0.98111564	0.41749078	-0.45561078	-0.2421005	-0.68083966	-0.062150035	-0.051885072	-0.48693028	0.025291443	0.9969411	-0.55827594	-0.94181055	-0.9939682	-0.5476765	0.25785106	-0.40032983	-0.030121073	0.6914847	0.028955689	0.6134823	-0.17260125	0.6308154	-0.62566227	-0.44191524	-0.09935612	0.1270137	0.5578833	-0.9451794	-0.84840107	-0.069759116	0.17082483	-0.25651777	0.5767746	-0.99905646	-0.48809192	-0.33170274	-0.5309754	-0.044912163	-0.1377006	0.46502283	-0.66091156	-0.5820052	0.70523405	0.60219646	0.10862608	-0.026315866	-0.18339211	0.048751134	0.60525167	0.94939727	-0.28415388	0.5475822	0.21424043	0.40794772	-0.14056164	-0.37098473	-0.46064463	-0.43301225	0.43687725	0.30166894	-0.11268949	-0.9661835	-0.061332017	-0.09461542	-0.16015181	-0.13224934	0.27059188	0.6472589	0.6016329	0.2986937	-0.35130376	-0.36031634	0.27852732	-0.43952256	0.21943423	0.58003134	-0.93527985	-0.43916568	0.22190396	0.47511506	0.5061108	-0.27394018	-0.1284872	0.22211097	0.13732193	-0.5125232	-0.5739767	0.29964316	0.121473655	-0.12317865	0.21531695	-0.29818502	0.25379658	0.19377376	0.5626611	-0.35990757	0.43800122	-0.15157829	0.018706908	0.38390216	-0.06605269	-0.3328977	0.09780062	-0.99888533	-0.13073729	-0.007495784	-0.019888489	0.23776785	-0.19011784	-0.055225078	0.4071814	-0.17425291	-0.69399816	0.63350135	0.08299428	0.064198904	0.06339567	0.54994863	0.000944199	0.664863	0.80809	-0.09375367	0.2827685	-0.49823624	0.6025813	-0.09128901	0.25807968	0.68351233	-0.13611624	-0.3406378	-0.6270952	0.3498557	0.1997506	0.9995907	-0.60075104	0.5142285	-0.10480785	0.5038602	-0.25255674	0.21815236	0.9389991	-0.036641717	0.010794466	0.9993704	0.48650348	0.8396021	0.050775826	-0.41243422	0.9988026	-0.44800064	-0.5095211	0.22284883	0.3731885	0.8857532	-0.7951077	0.48853767	0.1689691	-0.38619712	0.98534787	-0.11328625	-0.47252044	0.3956871	-0.35900432	-0.37324226	0.60808355	-0.63498336	-0.9530704	0.26242748	0.42210898	0.06555293	-0.99998844	0.08082776	0.04924599	0.4914372	0.10592735	-0.6905903	-0.24032068	0.09010755	0.42394271	-0.8623887	-0.53700805	-0.43661812	0.6123529	-0.051248487	-0.13133883	-0.22014156	-0.48993507	-0.8552336	-0.14188977	0.3427483	-0.6694814	0.45488358	0.59683627	0.20702349	-0.75803876	0.4478518	0.30045578	0.3829775	0.6853838	-0.4868705	0.2150659	0.8295114	-0.9928822	0.68567944	-0.3973374	0.14910437	-0.24516559	0.43525976	-0.12418385	0.9982418	0.42901146	0.2850731	0.19289666	0.33536965	0.11973071	-0.44009468	-0.2302924	0.5764582	0.070657946	-0.09327327	-0.34568918	0.37848538	0.1960911	0.30317968	0.5700764	0.8580523	-0.2800542	1	-0.6954224	-0.40264484	-0.15299983	-0.45312104	-0.8819399	-0.04798529	-0.36169752	-0.80317134	0.4857626	-0.41723382	-0.060735855	-0.5968156	-0.3605575	0.8568177	0.066451594	-0.67570835	0.15773611	0.06979847	-0.49287492	-0.62961364	0.6893296	0.78086406	0.84287053	0.7371013	0.64918846	0.015672686	0.001915028	-0.6331119	0.21160601	0.047405537	0.18357678	0.9986937	-0.081172876	-0.15841685	0.84671354	0.2606554	-0.42073247	0.6426154	0.43578064	-0.08584188	0.99999994	0.011275793	-0.9715218	0.04950114	0.9991613	-0.33001912	-0.08395002	-0.9999523	-0.77841574	0.5436145	0.7540084	0.096275896	-0.7326222	-0.63423795	-0.6222203	0.7063185	0.08328038	-0.6478806	-0.11970564	-0.06922559	0.32672432	-0.53579605	-0.99995863	-0.99973184	-0.9943901	0.6035105	0.033973645	0.2928424	-0.40403375	-0.15628654	-0.8027935	-0.23155512	0.038554728	0.14457682	-0.89059746	0.19114359	-0.32599145	-0.5737552	-0.3820987	0.04724763	0.010494207	-0.9807197	-0.9999785	-0.1540955	0.44198903	-0.7728965	-0.44940996	0.15037157	0.10175244	0.65372145	-0.14792055	-0.25229388	0.027387014	0.2607688	-0.28185332	0.96426404	0.5454966	0.7844435	-0.46101695	-0.08544501	-0.004545299	0.5326487	-0.22301085	-0.05583074	-0.06075118	0.7742569	-0.02654655	-0.57655394	-0.5979825	0.5637416	-0.42151666	-0.3751403	-0.6128936	0.79369783	-0.03439669	0.21913983	0.49993804	-0.56861985	-0.13019691	0.31498748	-0.7780666	0.59391546	-0.86687344	0.9971057	0.30583265	-0.21934552	-0.70219934	0.37222108	-0.31112292	-0.10678528	-0.050560057	-0.46782514	-0.752008	-0.33265108	0.80790544	0.01710285
62	1	CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(O)cc2C1=O	0.58020425	-0.10254809	0.41039866	-0.038033612	0.53564966	0.17258994	-0.28334835	0.27423733	0.005758672	-0.10006624	-0.8570666	-0.4678221	0.32707074	0.13451555	0.23737311	-0.43864128	-0.6126272	-0.7696234	0.102103435	-0.85108906	0.21782385	-0.2476188	0.6352723	0.55627173	0.5614044	0.65754586	-0.14146748	-0.15003951	0.21123219	0.07946272	-0.40562448	-0.27768263	-0.15964647	-0.5534619	-0.30989784	-0.029985655	0.47116625	0.57478684	0.9993556	-0.5574751	-0.9705673	-0.5829994	-0.54406685	0.37549555	-0.09817143	-0.50904727	0.38787878	-0.48074022	0.8964245	-0.09094941	0.37458315	0.18162113	-0.0385725	-0.4735681	-0.6311198	0.27401808	-0.4971892	-0.7240286	-0.15505776	-0.13646777	-0.4293703	0.4547308	0.051668346	-0.43682283	0.07012063	0.60156864	0.18867852	0.55284494	0.49715137	0.27460578	-0.80952793	-0.6468687	-0.5405117	-0.37458298	0.7735797	-0.3419244	-0.069204435	-0.3607778	0.21367098	-0.9998423	-0.8789776	-0.13470806	-0.85466015	-0.4439509	-0.08769546	-0.9479434	0.17251135	-0.6605569	-0.3361045	0.18053275	0.32556432	0.03959262	0.46256626	0.59410375	0.99566275	-0.43784177	0.068524174	-0.567928	0.29196742	0.19032395	0.66748184	0.45917585	0.36415166	0.5762385	-0.9946215	0.036529638	-0.4528626	0.48613742	-0.9440193	-0.18848704	-0.72951293	0.48571452	-0.083670534	-0.41968605	0.75894	0.70025086	0.43816897	0.34405008	0.98598593	-0.3427741	-0.43346784	-0.34620464	-0.27085754	0.05498167	-0.81954527	-0.5707846	0.47188747	0.112656295	-0.19983666	0.9999352	-0.035259966	-0.15034623	-0.53607875	0.25161645	-0.7399355	-0.83215296	0.20227437	0.92095196	-0.6930732	-0.93970203	-0.9999977	0.48192883	0.84994954	0.8302375	-0.17980109	0.50254405	0.35680488	0.035244286	-0.90352523	-0.17229944	-0.63730925	-0.60425985	-0.007545804	0.1291531	-0.6706451	-0.3586354	-0.37644976	-0.40102035	-0.93964475	-0.4050284	-0.6933355	0.56559837	0.48061645	-0.277062	-0.09810198	-0.31978092	0.5941562	0.64263004	-0.10821197	-0.19950631	-0.24019442	0.14810231	-0.63635314	-0.49488372	-0.43695587	-0.95381707	-0.61980003	0.36588827	0.15466185	0.7405779	0.11138879	-0.8684593	-0.46836498	0.19219254	0.14556311	-0.29155827	0.06685678	-0.1348358	-0.739053	-0.5965223	-0.18378465	0.49826455	-0.50532484	0.6592479	-0.48665994	0.23519127	-0.27685633	-0.5726323	0.19697274	-0.07852793	-0.102697395	0.5701565	0.27167842	-0.12196743	-0.045651007	-0.08679108	0.5609989	0.5034997	0.25283456	-0.9999295	-0.5246486	0.19732305	0.42248085	-0.34072083	0.7001024	0.024908317	0.6991047	-0.58021986	-0.3988169	-0.10223541	0.83535135	-0.26974893	-0.807488	-0.5651406	0.99755675	0.1340691	0.6242485	0.43950304	-0.32371867	0.13067724	-0.10369446	0.30154124	0.74059737	-0.3156778	0.42873752	-0.15953201	-0.000544557	-0.71518075	-0.47146055	-0.41757324	0.9265892	0.5653705	0.20878379	-0.49868265	0.359091	0.5698374	-0.14230165	0.5293695	-0.055143002	-0.57357305	0.3037644	-0.7727339	-0.7150109	0.38092646	-0.1512126	-0.72209877	-0.42845207	-0.03537721	0.10381503	-0.06098679	-0.023068987	0.7874863	-0.3051365	-0.7169788	0.19859105	0.4723886	0.41397068	-0.019299356	0.10284606	0.36117005	-0.097592585	0.8167072	0.30265605	0.20422098	0.47135076	-0.45702097	-0.005637302	0.3757213	-0.8293104	0.016769273	0.7411134	0.9961342	-0.096301004	-0.4178278	-0.36551064	0.49697077	0.29698855	0.82344526	0.46586528	0.5340532	0.5659089	0.8151561	-0.15208937	0.7866317	-0.83269876	-0.56105214	0.9999999	-0.9922921	0.7535349	-0.34970585	0.34754625	0.6552392	-0.6674646	-0.6344673	-0.3267059	-0.7990463	-0.9671518	0.1825243	0.1709921	0.16819271	0.221207	-0.162903	-0.10976576	-0.19944328	0.3921927	-0.2319554	0.18623424	-0.07767333	-0.9739019	0.20308274	-0.52014005	0.3315638	0.32811564	-0.8644105	0.07619641	-0.119146645	-0.5708753	-0.97706735	-0.101096675	0.66907793	0.041882474	-0.3199772	0.053661782	-0.2117261	-0.2431233	0.81176794	-0.14409581	0.2283941	-0.028789997	-0.16789608	-0.46725288	0.6278449	0.55500036	0.413994	-0.53462976	-0.70163053	-0.5598182	0.23890914	0.16369613	-0.89554954	-0.90962523	0.424589	-0.7217305	0.13196863	0.63695127	0.2485071	-0.02495384	0.9997445	-0.56061697	0.09680669	0.13357157	-0.62905926	-0.40832603	0.03769388	-0.9327137	0.41803342	0.18004824	0.40604454	-0.76909274	0.25200993	-0.07531857	-0.2599289	0.65130764	0.164263	-0.34941417	-0.9861317	0.03493302	0.23443377	-0.7825675	-0.59730333	-0.30673796	-0.112301655	-0.63890284	-0.7276128	-0.42877802	0.018289655	0.35507306	0.11370703	-0.11022027	0.1721037	0.074185155	0.049360145	0.29748514	0.3266986	-0.17240141	-0.39004287	-0.41419816	-0.7411899	0.7073726	-0.19528596	0.52211094	0.6036157	-0.21394256	0.09803603	0.11371644	-0.60186756	-0.6779631	-0.027911851	-0.7318338	-0.36813653	0.527136	0.3112489	0.088881314	0.31611001	0.024426114	-0.31375307	0.99997044	0.63654006	-0.9600969	0.07564553	0.9998015	-0.20433398	0.32991707	-0.9993928	-0.4360455	-0.07046252	0.77961004	0.03822873	-0.5645811	0.27229002	0.3255315	-0.5747809	-0.21351546	0.6147353	0.102697685	0.42308033	-0.29875204	-0.22069004	-0.9999751	0.9999999	-0.37369522	0.3173081	-0.37869787	0.3469184	0.12864986	-0.535033	-0.8877614	-0.4268005	-0.6872256	0.003665715	-0.76410687	-0.4078167	-0.8844412	-0.7838103	0.3140657	-0.5123612	0.4595836	0.7011824	-0.9998485	-0.4543959	-0.62288415	-0.69141114	-0.24227715	-0.71999747	-0.9053763	0.3633244	-0.18158475	0.37257323	-0.18161647	0.7393867	-0.75600976	0.98435354	0.06623634	0.026335958	0.71747375	0.4207448	-0.5377961	-0.24687178	0.5270343	-0.7912022	-0.2569837	-0.37228945	-0.56837165	0.21559905	0.2639595	-0.6075473	-0.18339036	-0.35705674	-0.6622209	0.6433663	0.20555446	-0.04962356	-0.40548128	0.99544185	-0.1988477	0.45996726	-0.0749946	0.05305341	-0.4701499	0.99987155	0.7388657	0.18510504	0.38019204	0.22152662	0.2967678	-0.595919	-0.9953069	-0.37373146	0.44608867	0.052279066	0.7637074	-0.31315678
63	0	CCOCCOCCO	-0.25057125	0.24195029	-0.27345163	0.64228314	0.582313	0.25789148	0.029177127	-0.024543943	-0.8154666	-0.17539522	-0.20596978	-0.1857293	-0.21240143	0.012169967	0.57408965	0.52194864	0.3624636	0.21012688	0.49331295	-0.30187643	0.27793851	-0.87101626	-0.033644907	0.35307392	0.15351444	-0.19245821	-0.2591624	-0.26018307	-0.36118942	0.109875746	-0.095798425	0.26156765	0.30905783	-0.60318285	-0.16329381	-0.514576	-0.2552072	0.678154	-0.95113784	-0.8963794	-0.96640277	-0.5396962	0.26268572	-0.43184862	-0.46971372	-0.98930115	0.22937612	0.40316752	0.88644266	0.5099417	0.5743624	-0.49400014	-0.00407998	0.25366506	-0.6634931	-0.18778475	0.89208025	0.97987425	-0.057357833	0.013374967	-0.2812089	-0.3229868	0.09600757	-0.14051223	-0.5494467	0.09987305	-0.19627176	-0.5781673	-0.088019244	-0.44694272	0.18955937	-0.9996996	0.2940898	0.80953056	-0.3199514	0.7220721	-0.21371844	0.5793803	0.09142077	-0.99900204	-0.3145068	-0.019789118	-0.44587004	-0.42640084	0.63867664	0.9579356	0.34096846	0.32368785	0.15303005	-0.09034846	-0.011452475	-0.3808864	-0.61396235	-0.06197601	0.9308483	-0.20770672	-0.4812479	-0.1713261	0.6207798	-0.13542166	0.008515652	0.09239383	-0.6489159	-0.6307755	0.9924162	-0.49989134	0.47170228	-0.094442345	-0.70192	0.56402284	0.632801	0.07613195	0.3628647	0.082632914	0.07737286	0.18193394	0.24082223	0.47406048	0.9938699	0.61908865	0.22479025	-0.16734755	0.41802597	0.3137495	0.12605385	0.4603566	-0.36795434	0.045050833	-0.2271822	0.96527755	0.13899952	-0.24014854	-0.24825297	-0.23859386	0.29701018	0.09916578	-0.45543355	-0.20071726	0.44823843	0.18353602	0.9996191	-0.38815805	0.9526864	0.03424688	-0.08668503	0.54303503	0.08813583	-0.62420714	0.9961604	0.5806805	0.43831474	-0.37953943	-0.35919607	-0.06799609	-0.109130085	-0.5321355	0.057526536	0.99841255	0.43165916	-0.71041185	-0.9816741	-0.324837	-0.039135937	0.5935165	0.15719105	0.39121133	-0.23332407	0.7564193	-0.45685968	0.39917588	-0.13651396	-0.092521176	0.36102715	-0.3017715	-0.35669017	-0.94327635	-0.28495717	-0.09861573	-0.6610949	-0.24201205	0.3371658	-0.3668691	0.3629666	0.41056684	-0.88913655	0.38644415	0.34433395	0.63938284	-0.020093648	0.74333215	-0.055200957	0.29536104	-0.49320394	-0.040963814	0.08929609	0.034747563	-0.32471308	-0.70343155	-0.24225453	0.42562944	-0.63960373	-0.5506949	0.039931413	-0.09913524	0.45266733	0.055745304	0.051247984	-0.55106354	-0.4363221	0.5874612	-0.20663357	0.05237479	0.12501033	-0.3846214	0.2793023	0.032975078	-0.74998575	0.08497071	0.25777227	0.11655001	-0.18755202	0.23356523	0.6010174	0.6720983	0.9942118	-0.17445558	0.050966315	-0.4479612	-0.17061192	-0.11572225	0.43882266	-0.07380383	-0.038418833	0.09773534	0.55185694	-0.5852227	-0.17929171	-0.21535149	-0.2962142	0.13856202	0.87198716	-0.25056812	-0.591793	0.19633985	-0.14579035	-0.46052745	0.12754726	-0.02409524	-0.6284912	0.60374403	0.22278509	-0.99905765	0.27420753	-0.2336284	0.2499226	0.51917875	0.043028217	0.020440131	-0.03806192	0.09010663	0.33607593	0.14250821	0.47423792	0.36390248	-0.36796725	-0.30382082	-0.30252293	0.25907898	-0.66195565	-0.29341277	-0.027304135	-0.7067559	0.09759865	0.051545292	-0.08417283	-0.011392291	0.3566434	-0.034508914	-0.5638212	0.8536748	-0.3013914	0.99607384	-0.08213088	0.57405365	-0.7549833	0.7618371	-0.1810444	-0.7090524	0.43016562	-0.10981212	-0.035854857	0.997962	-0.15164228	0.6444594	0.31766763	0.38546827	-0.99758685	0.084818885	0.4123009	-0.12372861	-0.13217296	0.21383433	0.7684911	0.5684414	-0.5004331	0.19187447	0.99883497	-0.029892247	-0.06760544	-0.086997434	0.00000639	0.23227438	0.49545085	-0.29719627	0.7384285	0.5743156	-0.11985277	-0.23636618	-0.9579379	0.16962382	-0.5050383	0.037653234	-0.18688431	-0.74008095	0.15796396	-0.44872114	-0.09922575	-0.06755508	0.47044644	0.12817973	-0.07112104	0.20544532	0.32217345	-0.017489236	0.32196274	-0.88555765	-0.172716	-0.22769582	-0.5558778	-0.7137446	0.23634033	0.08913312	-0.090976246	0.8803847	0.5394835	-0.14557001	0.017983042	0.3201724	0.6030478	0.9803601	-0.9836931	0.35375124	-0.20023578	0.4063892	0.1408839	0.38532642	0.31193486	0.90125865	-0.26046506	0.38784665	-0.60882515	0.1700574	0.5558144	-0.43662745	0.50912964	0.20275326	-0.08374919	-0.78604746	0.30718234	-0.20039488	0.36042294	0.006095926	-0.6373266	0.8810714	-0.006382723	1	0.25556356	-0.04850778	0.077221565	-0.48150325	-0.7895258	-0.046718713	0.65778315	0.66636556	0.47449806	-0.5352477	-0.20527838	-0.07641463	-0.6528016	-0.43800366	0.07769681	0.103997506	-0.2943766	-0.7154499	-0.30555174	-0.505041	0.6501099	0.7705937	0.14997457	0.70639557	-0.6790938	0.15135185	-0.44323468	-0.23618785	0.02411735	-0.08363439	0.30581495	-0.000296975	0.55966413	-0.052487765	-0.571864	0.33314738	-0.27480543	-0.28592774	0.5794931	-0.7923379	0.9997042	-0.2290224	-0.7275164	-0.043088965	0.9585492	0.335734	-0.070633925	-0.9965266	0.21587761	-0.394403	-0.7141028	0.40821663	-0.20575231	0.5731491	0.0779404	0.953169	-0.26026216	0.08561764	-0.027538178	-0.028887277	0.16948177	0.015575313	-0.99802166	-1	-0.99013895	-0.40887237	0.29194418	0.4815345	0.16144566	0.08357302	0.57521915	0.34054497	0.6436648	0.47525737	-0.1424675	-0.3165463	0.26004475	0.045311283	0.23607866	-0.123510145	-0.42830563	-0.9926346	-0.9987886	-0.20756128	0.10207263	0.08196473	0.11370315	0.24313825	-0.8405031	-0.33561307	-0.52028483	-0.32529125	-0.2841318	-0.45604476	0.061011236	-0.8939019	0.4969784	0.8154548	0.38339284	0.833007	-0.09837913	-0.52499115	-0.30943868	0.13374498	-0.08176116	0.9129258	-0.39684892	0.4854323	-0.48716235	0.68277496	0.038906842	-0.31226858	0.6811643	-0.49541038	-0.29666722	0.23305075	-0.25251314	-0.98773336	0.6362359	-0.3106838	0.33776408	0.15618287	0.2559694	0.9991183	-0.41004267	-0.3232622	-0.67084336	0.075103365	-0.24288557	0.27451518	0.9069866	0.049316555	-0.26137915	-0.61702865	0.61750865	-0.06552874
64	1	O=[N+]([O-])C(CO)(CO)CO	-0.3997803	-0.62550646	0.08975155	-0.071704574	0.016155772	0.3168879	-0.33055052	-0.27450645	0.27603024	-0.094626985	0.79076374	0.60855603	0.24497224	0.14607823	0.5560027	0.45247233	-0.09664077	-0.10311678	0.5981566	0.64679056	0.26227388	-0.65374494	-0.4900413	0.433345	-0.38586473	-0.17997912	0.3002547	0.25320297	0.56932896	-0.33700502	0.13551039	-0.19052373	-0.054000273	0.44373098	0.5072532	-0.4182286	0.3316275	0.48032936	-0.10330585	-0.14941819	-0.70567673	0.28623226	-0.113316804	0.074924365	-0.09273044	-0.9977096	0.22374861	-0.23575227	0.9098419	0.6608629	-0.13156421	0.12270485	-0.5145118	-0.19514713	-0.8123533	0.07515625	-0.16672231	0.93185437	-0.731323	0.25287017	-0.5444964	-0.59597164	-0.31347004	-0.095280744	-0.2688772	0.6434555	0.8101797	-0.23948242	-0.908154	0.09609951	-0.2569433	-0.99998987	0.72805655	0.93345094	-0.5816298	0.48839882	0.47312737	0.36959735	0.5403855	-0.99985564	-0.86814713	-0.061806526	-0.605348	-0.82170427	0.39757463	0.9922431	-0.00153992	-0.5490632	-0.58739376	0.004620921	0.16579561	0.116212055	-0.6423034	-0.09151563	0.9957707	0.73652816	-0.94636285	-0.48351306	0.28779355	-0.6253909	0.06392162	-0.045322586	-0.5691515	-0.8244828	0.9084565	-0.48575732	-0.49244806	-0.51137286	-0.99999624	-0.43015972	-0.2958837	0.20449449	-0.6400457	0.2384994	0.0875586	0.00573534	0.62251675	-0.3500445	0.9997824	-0.28682578	-0.017272022	-0.25461844	0.12777156	-0.043991003	0.29486004	-0.698658	-0.582854	-0.08066223	0.8984118	0.6091019	0.6640505	0.503139	0.16301405	0.5316705	0.03829496	0.9532899	0.3554707	-0.12731776	-0.44403502	-0.041515175	0.9980266	-0.4730039	0.73833346	-0.106983654	0.6897011	0.2332429	0.405251	-0.32682353	0.9903681	-0.3007075	0.062698774	-0.6624819	-0.3697122	-0.33738562	-0.15753424	-0.40015784	0.42120028	0.99925965	-0.42757252	0.14081508	-0.9966286	-0.03486077	-0.35842893	-0.16474754	0.32649106	0.8196701	-0.59311604	0.5429488	-0.2203243	-0.057427146	-0.77963656	0.112225145	-0.40860143	0.33223695	-0.3124475	-0.9036268	-0.5170121	-0.08137426	-0.31517625	-0.049309436	0.0712234	-0.9994745	-0.5253263	-0.4006972	0.46511754	0.19212674	-0.6074438	0.8061013	-0.5738375	0.7082356	0.88090456	0.28804886	0.5810399	-0.43120626	-0.7299862	-0.67146975	-0.11525456	0.98421866	-0.53844154	0.036008753	-0.6172577	-0.12076607	0.001504919	-0.590253	-0.22686045	0.13804686	0.42409512	0.88681483	-0.49812502	-0.93908805	-0.26853508	-0.09874119	-0.3481626	0.44337165	0.112567	0.45351544	0.114567585	-0.35641485	0.18962483	-0.64117354	-0.3340075	0.06569917	0.88470805	0.8133623	0.9999998	-0.36114192	-0.5965011	0.11427816	0.44715726	0.02189239	-0.45289385	-0.25803497	-0.27780142	-0.21653327	-0.8552698	-0.3559974	-0.2810294	-0.29904333	-0.20537977	0.4992674	-0.17708388	0.16147959	-0.19121146	0.074948184	-0.84043235	0.06730663	-0.05963057	-0.5446389	0.11787171	0.07556923	-0.3495155	-0.999714	-0.10765031	0.18509549	0.62624323	-0.19444206	0.069917366	0.3837925	0.1866702	0.13925067	-0.7371878	0.44203162	0.6304389	0.19528547	-0.6912	0.7273997	0.001884538	0.8094648	-0.9747518	0.25893262	-0.43272987	0.8978769	0.3736679	0.6229007	-0.45324537	0.8610804	0.21624766	-0.1568526	0.23890878	-0.08293244	0.44283444	0.9991996	-0.5877448	0.08546249	-0.3471806	-0.2738689	-0.6333106	-0.9947186	-0.99301136	-0.3665033	0.836093	0.9997283	0.3679819	0.85685873	0.47198063	-0.68107647	-0.9986134	0.88731974	-0.45002392	-0.26917285	0.36526445	0.68714523	-0.22957441	0.7420883	-0.5035508	0.64718103	0.9983888	-0.47929823	-0.49462342	0.6106366	0.003845709	0.12104347	0.38999113	0.41240206	-0.9665923	0.3564059	0.45865917	0.13653734	0.9999055	0.3741343	0.14827792	0.09068956	-0.5944663	0.17088942	-0.28685808	-0.56993407	-0.22980845	0.69486034	-0.70818454	-0.29367933	0.26794603	-0.21357605	-0.9068973	0.4269873	0.016162338	-0.9973633	-0.6328182	-0.4636396	-0.6972252	0.008520504	0.47963843	0.030895637	0.27665833	0.597505	-0.2815965	-0.4391253	0.20486917	-0.5921714	0.11481729	0.96804553	-0.9739824	-0.5989198	0.2852923	0.035619363	-0.30873927	0.32503292	-0.29353523	0.99883395	-0.49865794	0.9687045	-0.43390697	0.09304922	0.38811004	0.49453226	0.5056208	-0.1737883	-0.21997374	0.27466166	0.55092233	0.4726198	0.22399443	-0.17832586	0.30860347	0.9060743	0.34824258	1	0.55511624	-0.69266903	-0.012039105	-0.043773185	-0.8553174	0.043766145	0.02624224	-0.082791336	0.75847936	0.10850492	-0.27701688	-0.6592532	-0.78170687	0.24236415	0.13591601	0.15583108	-0.000350501	0.5608811	-0.24290697	-0.8991674	0.27910262	0.9187909	0.81331944	0.8355699	0.6748143	0.18130995	-0.29070118	0.047855075	-0.32966805	0.62422097	-0.73417395	0.9704227	-0.636555	0.24165839	0.007434961	0.77172685	0.14236191	0.5849678	0.74206686	-0.65600514	-0.91452277	-0.40569866	-0.96813923	0.082616806	0.99903196	-0.59714884	0.31269428	-0.5848569	0.28713483	0.8507726	-0.09596176	-0.10245688	-0.62173563	0.039318636	-0.39887142	0.9254326	-0.61388665	-0.69494677	0.17223495	-0.49541658	-0.1299893	-0.22163883	-0.99990565	-1	-0.9984591	0.3198668	0.42714724	0.85381985	0.39833105	-0.46091616	-0.8391064	0.36694062	-0.13123229	0.098413765	-0.10046108	0.30642343	-0.054600243	0.32476288	0.56206286	-0.31139404	-0.34548408	-0.9947402	-0.99992	0.001058566	-0.042919327	-0.7763052	-0.25642785	-0.025882717	0.9041471	0.18726286	-0.78699154	-0.17134906	-0.2006874	-0.40575832	0.1575885	-0.9539064	0.16923916	0.54484767	-0.5070295	0.75214314	-0.00824058	-0.70104414	-0.32492325	0.35652694	-0.4257826	0.9749716	-0.9528776	-0.050996426	-0.6308801	-0.04047274	-0.5914245	-0.5843216	0.416256	0.48917195	-0.2512325	0.33727017	0.006665802	-0.93829745	0.4664185	-0.21685486	-0.12264962	0.35060722	0.4149582	0.99888176	-0.56943685	-0.71820885	-0.1967841	-0.6127752	-0.7525344	0.31746534	-0.01150362	-0.42096666	-0.61308324	-0.69885767	0.7183111	0.26338196
65	0	CCCCCCC(C=O)=Cc1ccccc1	-0.1948033	-0.60307646	-0.067205414	0.31051946	-0.53285134	-0.2632858	-0.06305453	0.5183224	0.623158	-0.05582357	-0.6653327	0.18025364	0.5652386	-0.9334942	0.7819108	0.24968457	0.77254194	-0.2220399	0.25870878	-0.24629508	0.64421046	-0.82476074	-0.49928337	0.44832468	-0.2542531	-0.063261546	0.5717226	0.17516701	-0.42563462	-0.42393655	0.594608	-0.13034002	0.44164047	0.18950176	0.15708068	-0.21352574	-0.16487531	0.8290334	0.8695169	-0.78243554	-0.9786961	-0.27323723	0.12856194	-0.28872937	0.75795126	-0.9783598	-0.19591123	-0.55765074	0.99903905	0.03157434	0.43981698	0.6757992	0.3608125	0.32932502	-0.9276186	-0.17135197	0.60213876	0.9244129	0.460882	-0.1284869	0.026418116	-0.033077173	0.15762304	0.34068274	0.06819311	-0.2794178	0.25658727	0.6339915	-0.4325109	-0.12345149	0.94713295	-0.72457856	0.06359065	0.44210982	0.71560436	-0.0646118	-0.46177498	-0.09066753	-0.5418384	-0.99926627	-0.052547578	0.31587732	-0.78557783	-0.37922612	0.3698691	-0.75092906	0.046530962	-0.22445002	-0.33974737	-0.020983694	-0.078140125	-0.08566132	0.3758952	-0.047817387	0.81827736	0.2386229	0.6840868	0.3282533	0.52669466	-0.3828461	-0.056221165	-0.29628527	0.45445806	0.7926231	0.1476811	0.41430596	0.28741074	-0.09819008	0.98082864	-0.5631145	0.573736	0.2385021	0.11658696	0.63211286	-0.38739067	0.5316067	-0.016872592	-0.42578462	0.997581	0.015439712	-0.36281592	0.021746477	0.46906376	0.0925615	-0.41505104	-0.26369402	0.23860092	0.3027476	0.065102555	0.9999578	0.39831945	0.6108156	-0.21799703	-0.3932411	-0.77350944	-0.93270993	0.08313543	-0.29109314	-0.6322087	-0.071577325	-0.9978631	0.09159328	0.9888609	0.034327045	0.37915573	0.19156225	0.054958448	0.05456468	0.8531212	0.7470344	-0.055725247	-0.8975783	0.75085115	0.47443262	0.25189155	-0.1964648	0.6090546	0.99246734	-0.42089203	-0.949127	-0.97641706	0.33061418	-0.005300441	0.15708636	-0.12066605	-0.27512482	-0.62858623	-0.58608514	-0.33187792	0.053868946	0.28779313	0.41730848	0.57359916	-0.30604807	0.045629196	-0.96582794	-0.42486033	0.69057715	-0.39877424	-0.30324155	-0.2777996	-0.13608629	0.051822197	0.45035926	-0.69896346	-0.12864585	-0.34324202	-0.548787	-0.057085738	0.3982277	-0.7576664	0.21704678	-0.19739711	0.7651895	-0.000961821	0.28559142	-0.4713126	-0.5944049	0.72111434	0.09288992	0.59724873	-0.38037562	0.022673236	0.6804756	0.24363837	-0.18559745	-0.7674556	-0.34548682	-0.2096819	-0.9981342	0.003468501	0.16636309	0.20365626	-0.4568033	-0.29284638	-0.1800911	-0.13323477	-0.12400814	0.15730374	0.14331079	0.11285317	0.65361536	-0.7055273	-0.6650299	-0.95113593	0.2686746	0.61094296	-0.32449445	0.07964658	-0.41651607	0.21593075	-0.081836246	0.4636387	0.036016934	-0.01406921	-0.049137764	0.16412199	-0.22642733	0.17803007	0.07207758	0.8664314	-0.4201581	-0.017282736	-0.19929048	-0.41939974	-0.6625546	-0.3679454	-0.5882707	0.030301252	0.032216135	-0.10500305	-0.99832827	-0.13158813	-0.10453914	0.3363224	-0.20038454	-0.08743324	-0.5637298	0.16016042	-0.27735385	-0.67081714	-0.081201516	-0.7388663	-0.7734413	0.7053706	0.5907207	0.69531995	-0.61588424	0.9404895	0.44626385	-0.36907995	0.8268052	-0.21676618	0.22511405	-0.43222994	-0.34342325	0.2473536	-0.43931672	-0.021481507	0.6968336	-0.019957686	0.9993476	-0.33431494	0.12427237	0.6340495	0.6406811	0.14166756	0.7058967	0.8527155	-0.06487893	-0.13282704	0.9980206	-0.27782175	0.5007047	-0.35120916	-0.52038705	0.9979166	-0.9952743	-0.103214785	-0.12208142	-0.15148976	0.2320306	-0.006732794	0.36852378	-0.13210255	-0.89642227	0.90921986	0.1281301	0.43468517	-0.7163845	0.3878447	0.68114376	0.19620183	0.46435523	0.81043357	0.294771	0.6486944	0.51244426	-0.9999393	-0.63401014	-0.27782214	0.7690335	0.001707247	-0.7014911	-0.58732134	-0.6349497	0.7642711	-0.9520785	-0.07385397	0.53485155	-0.04542769	0.05888359	-0.3014355	0.2883454	0.56388223	0.8784768	0.22365859	0.2796802	0.25020337	0.4289579	0.04160616	0.20129311	0.6169197	0.61372787	0.098838374	0.43872622	-0.4874354	-0.4414446	-0.28971148	0.6968032	-0.9953325	0.49408698	-0.19368619	0.2358837	0.18824022	0.27281496	0.27536356	0.99969846	0.046826616	0.44792286	-0.14405504	-0.38274223	-0.15944785	0.12410459	-0.88179296	0.1864025	-0.457627	-0.63266754	-0.58000946	-0.4002585	-0.09102486	-0.20845826	-0.52481925	0.8248519	0.095230974	1	-0.021148892	0.7103257	0.012840931	-0.09647622	-0.7479455	0.033102974	0.39915478	-0.023419831	0.20985532	-0.4882742	0.37910718	0.5022947	-0.044532143	0.47089973	0.34921777	0.22694346	-0.6044024	-0.18659124	-0.08443654	-0.90222317	-0.47124586	-0.6058806	-0.15607907	-0.38665643	-0.8921581	0.39515197	-0.41674998	0.7266208	-0.5056361	-0.36948287	-0.4540827	-0.11043172	0.37263793	-0.44644734	0.2720686	0.08735248	-0.2584082	-0.14315155	-0.11734659	-0.45998505	0.9999999	0.28602195	-0.92223257	0.43778878	0.99966365	-0.6361482	-0.43891445	-0.99991286	0.3450708	-0.1734341	-0.18926394	0.39920965	0.5192355	0.20925179	0.5987932	-0.6508166	-0.20659834	-0.42658374	0.15755756	-0.63257885	0.17207734	-0.11764032	-0.99988514	-0.9986907	-0.97020924	0.13696535	0.05427235	-0.0907759	-0.26805067	-0.14851832	0.36474517	-0.24166854	0.2489875	-0.5836632	-0.62967753	-0.10570632	-0.78479326	0.12993558	0.286491	0.66165596	-0.24139644	-0.8623979	-0.99980336	-0.26910493	0.28569162	-0.28761578	-0.15200897	0.44768208	-0.99225533	-0.54361147	-0.38359272	0.2152753	0.0169279	0.46721065	0.68807507	0.8694828	0.2935854	-0.28570247	0.21149322	0.50378066	-0.2759691	-0.69580966	0.56191033	-0.5937605	-0.24259141	-0.5243072	-0.9109475	0.51386017	-0.18463516	0.42728093	-0.35885066	-0.31453773	-0.053575587	-0.13425912	0.53775966	0.21149255	-0.007007081	0.4252454	-0.27721268	-0.1960253	0.5750126	0.119928904	-0.18984415	0.9997574	0.23979464	0.010000119	0.45518526	-0.21292803	-0.3556121	0.16827975	-0.8150775	-0.40400776	0.48317933	0.22459906	0.48362824	0.6181042
66	1	N#CSCSc1nc2ccccc2s1	0.08572501	0.5745101	-0.4345135	0.008634659	0.20380871	-0.5558689	0.039483964	-0.11849845	-0.29524273	-0.43075514	0.3623178	-0.08298256	0.4813628	-0.74327344	-0.09144798	0.37388235	0.38249347	0.7312847	0.33672577	0.39464244	0.58135605	-0.38120002	0.024453811	0.04600204	0.22195883	0.5720854	-0.21741164	0.052872933	-0.4107253	0.14806892	0.5444587	-0.003342891	-0.06013051	-0.15817404	0.46456283	-0.19424658	0.43407854	0.14287867	0.7863871	-0.96914214	-0.98630536	0.29537445	0.062943555	0.48318684	-0.55489624	-0.9814804	0.033885505	-0.56578124	0.98212206	0.14038388	-0.11196815	0.27736792	-0.27081743	-0.24054267	-0.72696066	-0.15557736	0.10080062	0.9174104	0.21110095	0.37504524	0.117244326	-0.16448441	0.3967387	0.025940364	-0.53542095	0.047128	0.26982337	0.038546205	0.5344695	-0.29827946	-0.420003	-0.9764916	-0.67097867	-0.6144497	0.28376082	-0.62838024	-0.14073862	-0.63586956	0.25427976	-0.99944586	0.26096854	-0.2365901	-0.84364057	-0.017707273	-0.2869835	-0.3392876	-0.43095118	-0.05367921	-0.13811892	-0.07717756	-0.4008668	-0.65384	0.26419052	-0.42350256	0.9885195	0.11446252	-0.17636164	0.54101527	-0.27632153	0.20951095	0.1216481	-0.624465	0.47309867	0.33822283	0.6335736	-0.9794513	-0.037491303	0.37049797	0.97705936	0.6248247	-0.30209666	0.09919449	-0.21409416	0.7897015	0.24295433	0.14575763	-0.07521224	0.07784471	0.9986241	-0.113492586	-0.28883126	-0.09430656	0.5863822	0.21317734	-0.19645765	0.018795494	-0.29609013	0.19271879	-0.51170975	0.99834555	0.766081	-0.20628653	0.6454574	0.11739808	0.4526922	-0.905637	-0.85037756	-0.115541294	0.5238037	-0.08759306	-0.9997607	0.23214842	0.96381956	-0.15544884	0.2411454	0.6313421	-0.47980624	-0.23413128	0.9555337	-0.023574159	-0.025185747	-0.6673165	-0.30498797	0.5726295	-0.41362998	-0.008933749	0.78178304	0.9978203	-0.10573109	-0.9529525	-0.98054826	0.21644585	0.35428065	0.37198743	0.15682636	0.5808074	-0.5860334	-0.22753225	-0.22279549	0.66083086	0.095463604	0.38241217	0.05150089	0.13761944	0.27578944	-0.42570752	-0.67894983	0.6541556	-0.64103687	0.13788311	0.6976521	-0.57709527	0.5069087	0.2908937	-0.8165529	0.019642863	0.5194554	-0.046316423	-0.50629747	0.40013626	-0.21054874	0.23931582	0.67143804	0.44067684	-0.6385415	-0.13599011	-0.16685216	-0.3081541	-0.11394245	-0.5380394	0.52619433	-0.25074616	-0.12541075	0.38524073	0.22727221	-0.7006857	-0.05506574	-0.7289261	0.4641911	-0.99530303	0.41403085	0.3487721	0.1135772	-0.038842387	0.4356411	0.07530415	-0.39976117	-0.3431434	-0.4487712	-0.24033576	-0.45012096	-0.53540707	-0.008862232	0.32424623	-0.9410075	0.080090284	-0.6703307	0.13623048	0.12337514	-0.2618775	-0.08451117	-0.023597904	0.30269858	-0.19533975	-0.11121487	0.14758354	-0.5832293	0.59726775	-0.028709495	0.4771137	0.8089298	-0.8128197	0.14517829	0.6056514	0.47948098	-0.116255246	0.5807988	-0.16717234	0.040168863	-0.3503369	-0.1675038	-0.9679635	-0.7011894	0.7770316	-0.5779053	-0.501113	-0.6553522	0.04459312	0.17567313	-0.08706298	-0.053443037	-0.8994854	0.1348888	0.5121461	-0.48774633	0.64397067	0.24175014	-0.38233823	0.73424345	0.007622221	0.7231045	0.95285153	-0.7796351	0.27519438	-0.2194845	0.87822384	-0.21987972	-0.37801117	0.3554239	0.88025117	0.5592489	0.99924856	-0.29515195	0.33993357	-0.4494066	0.3144789	0.6054209	0.473687	0.97404367	0.49100086	0.025007349	0.9993504	-0.5251232	0.54666257	0.18151206	0.24683821	0.99983203	-0.9044453	-0.03884654	0.5911616	-0.05097929	0.03427156	-0.06084318	-0.21365693	0.8357538	0.5627484	0.96843475	0.7165949	0.3583626	0.08777937	0.3699991	-0.20334485	-0.2052919	0.102793284	0.7251327	0.38345483	-0.057798907	0.34578314	-0.9999524	-0.46448088	0.12041053	0.3944486	0.12761696	-0.83014464	0.50551414	-0.3588883	0.5431649	-0.6102239	0.53522056	0.6739287	-0.14884622	-0.39019665	0.49681875	0.57651556	0.3969423	-0.19165374	-0.33806807	-0.30230924	0.17891043	-0.47942767	0.0765226	-0.041725826	-0.17465518	0.743995	-0.31365687	-0.08574296	-0.209454	0.6000169	-0.58703417	0.808524	-0.9934896	-0.5216778	0.11980141	0.76570654	0.6194772	0.55864716	-0.59678054	0.9991156	-0.10741591	0.51156586	0.13824472	-0.06588418	0.8053351	-0.58150595	-0.6738023	-0.029786957	-0.095225245	-0.7208786	-0.0601031	0.5434849	-0.32750347	0.11186745	0.14034425	0.3524247	-0.037529323	0.9989626	0.07679257	0.1562638	-0.21270189	0.18716265	-0.6508568	0.4444776	0.23066838	0.1454759	0.5915506	-0.21719955	-0.53596133	0.6034875	-0.11675094	0.7559272	0.32041878	-0.41019902	-0.4671174	0.24498796	0.19919848	-0.014536903	0.7448152	0.15199761	0.098836295	-0.67238575	-0.19836508	-0.057295855	0.58111495	0.35983878	-0.3526484	0.5327513	-0.72009987	0.50819165	0.73534393	0.47425848	0.604404	0.49078876	-0.12654057	0.09615943	-0.057615563	-0.15097508	1	-0.68888664	-0.8385528	-0.03830794	0.99830484	-0.82909596	-0.38259518	-0.9999643	0.47163618	-0.4252231	-0.004483588	0.24157703	0.07995784	-0.3278597	0.23004794	0.4317365	-0.11968576	0.32688895	-0.59406984	0.0894893	-0.084965184	-0.55671114	-0.9999331	0.9775587	-0.9812245	-0.4032531	0.25523803	0.07066521	-0.34109834	0.22111562	-0.21588202	-0.070453785	0.524826	0.5287798	0.055657174	0.27715656	-0.036011983	-0.62540716	-0.020904718	0.3268355	0.22569029	-0.9589	-0.9997391	-0.073588476	0.7461801	0.18473484	-0.4675875	0.6472798	-0.91676736	0.038289774	0.54170877	-0.32050547	0.5120379	-0.47540742	0.7871966	0.9854385	-0.26351398	0.35566854	0.8199109	0.28804377	-0.074820615	-0.06969898	-0.24654795	0.13604125	-0.71329296	0.1228922	-0.76499194	-0.41751662	0.4696602	-0.3168365	0.06674485	0.19190295	0.51145643	0.6854338	-0.116538286	0.3015005	0.6512991	-0.1879834	0.80321825	0.72821957	-0.14585006	0.21449637	0.3756334	0.99995553	-0.68411165	0.41636643	0.087818585	0.6542083	0.17110853	0.18956515	-0.495665	0.2968549	0.56911486	-0.52327174	-0.78980315	0.08717062
67	1	Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	0.79831076	0.34115064	0.5329381	-0.20001023	0.28538787	-0.44941166	0.05996063	0.000721754	0.6242347	-0.6169217	-0.39980996	-0.14205368	0.39845404	-0.5698995	-0.29070058	0.7872564	-0.3944862	0.006196309	0.032136988	-0.6838806	0.68933076	-0.7872581	0.21380652	-0.22999392	0.28088272	0.1808396	0.06392213	-0.21015397	-0.20983902	-0.2933381	0.08277625	-0.5975308	0.09069984	-0.5320356	0.178502	-0.65517914	-0.38896638	0.41770563	0.98081595	-0.70399374	-0.943942	-0.44109964	-0.45578086	-0.56591	-0.19761042	-0.9815353	0.46666664	-0.20842582	0.9450307	-0.15602112	-0.3239473	0.35219252	0.5520139	0.15930396	-0.89668435	0.1131193	-0.54492694	0.6001741	0.024017295	0.09057467	-0.27241275	0.04309958	-0.03514363	-0.08788798	0.5954695	0.61560374	0.10309023	0.2121789	0.23760055	0.5434383	0.61475986	-0.99254507	0.45061326	-0.38282833	-0.15867746	0.013006995	-0.10549566	-0.024317304	0.42397356	-0.99903184	-0.67005116	0.33703464	-0.8877067	-0.16817173	-0.17903286	-0.20320556	0.0621739	-0.62997603	-0.34252718	0.2652142	0.4329137	0.08555625	-0.005548376	0.44664845	0.9825701	-0.12536657	-0.303208	-0.19903746	0.12211122	0.26256	0.12934557	-0.572538	0.14040254	0.2584623	-0.557016	-0.6420383	-0.3394185	0.17334001	-0.59943086	0.60526216	-0.75463766	0.5171327	-0.18989912	-0.33758217	0.10550729	-0.016325269	0.35346445	0.06937633	0.99927557	-0.4790506	0.42659992	-0.60660625	-0.678405	0.003313241	-0.23168106	-0.3560275	-0.13006897	0.28536704	0.03048697	0.9981911	0.13620046	-0.18954614	0.009388386	-0.25515276	-0.30249155	0.36534163	0.80636215	0.66704804	-0.49166644	-0.68280685	-0.99995977	0.17007953	0.8798951	0.70011806	0.59722435	0.38991043	0.19272457	0.10205089	0.722273	-0.32209173	-0.28910115	-0.77380425	-0.4559604	-0.27186292	-0.30844396	0.698763	-0.011678642	0.9768924	-0.6902843	-0.5325152	-0.97987604	0.29080084	0.6667686	-0.41177824	-0.05304074	-0.32576314	-0.43487707	-0.1373289	0.19004619	-0.003075614	-0.703747	0.32153368	-0.094292186	-0.302962	0.059359632	-0.94034934	-0.20368634	-0.18815312	0.17657147	0.52695996	0.36903006	-0.9832316	0.6508155	-0.24336855	-0.5173117	-0.11187097	0.54637426	-0.26993927	0.004060691	-0.31354827	0.7823383	-0.3659581	-0.13320164	0.16811194	-0.003104039	0.22750165	-0.09140469	-0.3416112	0.26741514	0.045267466	0.42877784	0.22378127	-0.3553768	0.15953094	0.43717158	-0.3879296	0.5070866	0.26759693	0.3737454	-0.99969405	-0.4833077	0.008561557	-0.06279528	-0.42952904	-0.07969853	-0.34150648	0.2538143	0.1298998	-0.02098382	0.13358214	0.43971264	-0.05560051	-0.41723794	-0.21889864	0.94948715	0.106209345	0.04198735	0.10353565	0.29170254	-0.42117468	-0.306621	-0.17140493	0.6935246	-0.20726827	-0.27544162	-0.5899928	-0.8229809	-0.15905908	0.0566754	0.1300577	0.88073593	0.2359554	0.7699327	-0.000581363	0.061183967	0.33884716	-0.4014817	0.36560488	-0.25046656	-0.49018124	-0.2579045	-0.6929504	-0.3827131	0.11532631	-0.23675792	-0.35844117	0.3887126	0.026538435	0.32059032	0.4020439	-0.17245238	0.49933887	-0.21067767	-0.5051438	-0.003100314	0.74232566	-0.10256085	-0.5237126	-0.9163102	0.45451364	-0.5816926	-0.18670334	-0.10246243	-0.4425862	-0.06542156	0.8879642	0.42191878	0.5773999	-0.22173057	0.71675485	0.3658611	0.9996805	0.14903502	-0.08212792	0.15854906	-0.12913321	-0.5903053	-0.4170051	-0.038761925	-0.113556795	0.725587	0.9979327	-0.15666331	0.7163714	-0.24832568	0.54010046	0.9999969	-0.8810209	0.7742867	-0.54434466	-0.17812356	0.5675297	-0.48511395	-0.024137367	-0.16402952	-0.91908187	0.75513375	0.05577389	-0.23162019	-0.19027662	-0.7183372	0.09410814	0.2730336	-0.55096114	-0.37372735	-0.094415165	0.11035064	0.24541721	-0.9825804	-0.6070458	0.06605213	0.72402316	0.09239794	-0.41472182	-0.1999316	0.1815854	0.11242973	-0.75347835	-0.04234509	0.53711426	0.33101186	-0.36073422	-0.4282	-0.72474074	0.81398726	-0.3471421	-0.20242685	-0.16712147	-0.40104142	0.1577942	0.3901493	0.32691488	-0.23417196	0.57692605	-0.56711024	0.040313415	0.3130464	-0.02222345	0.10747546	0.13063021	-0.99197704	0.6987991	-0.48750788	0.36049235	0.4474783	0.0159681	-0.06115815	0.99958205	-0.035082757	0.561957	0.3560056	0.25721586	0.5037973	-0.0536039	-0.8199983	0.028079225	0.04723433	-0.18755285	-0.34582224	-0.09639127	-0.1641561	-0.6245752	0.85255885	0.82225883	0.006194747	-0.9904695	0.031891104	0.20753838	-0.31841937	-0.54607415	-0.8851731	0.2568601	-0.6344409	-0.7914938	-0.5357249	-0.3014794	-0.15611884	-0.08412519	0.32878187	0.3430789	0.3611035	-0.4111756	0.3428587	0.24370955	-0.27273697	0.28465936	-0.16823629	0.50802463	0.77186954	0.29489708	0.08149683	0.12640442	0.36700776	0.057924513	0.19347471	-0.66891634	-0.56185764	0.23079756	-0.23519695	-0.24541913	0.498321	0.19197361	-0.5347955	0.19812188	0.22617276	0.003778376	0.9999783	0.25078437	-0.97649425	0.10340105	0.99976206	-0.32977152	-0.2702489	-0.9984627	-0.15285516	0.38118598	0.7705502	-0.08690824	-0.24775796	-0.25299284	-0.5099589	0.75886935	-0.18547463	-0.14840443	-0.29593042	-0.20148577	0.062279835	-0.2899277	-0.9999932	0.99999964	-0.970923	0.45074514	-0.46546838	0.7946244	0.23525904	0.051457647	-0.8663025	0.63227797	-0.31061572	0.43126038	-0.7254995	0.12878978	-0.35461357	-0.31930277	0.2880083	0.37842885	0.12247434	-0.8670497	-0.9999759	-0.57830906	0.34476155	-0.12433114	-0.6099288	-0.5460839	-0.66256404	-0.001542902	0.14825192	0.5040308	-0.067820616	0.7959304	-0.30765918	0.97355014	0.3314565	0.5719978	0.17553893	0.034596622	-0.61434376	0.003547944	-0.42589152	0.68424886	-0.2998405	0.2596389	-0.7186775	0.41860762	-0.000706854	-0.5740462	-0.44362372	0.15306629	0.09359871	0.5368119	0.21538569	-0.06390774	-0.25569862	0.7310535	0.2995617	0.15097056	-0.54653007	-0.19746679	0.08689662	0.99990314	-0.08406669	-0.11782605	0.14213774	-0.27892423	0.26339588	-0.19690825	-0.86695385	-0.550336	-0.5442849	0.5617445	0.5057508	0.58322227
68	0	CCCCOCCO	-0.49625915	0.11220664	-0.22487864	0.3863992	0.07141677	0.11834824	-0.066719756	0.15328798	-0.71710294	-0.00664883	-0.48135743	-0.13886313	-0.38530824	-0.57457334	0.39329296	0.44111025	0.3584345	0.26856405	0.43506402	-0.31970486	0.25585234	-0.8431045	0.050841864	0.25548527	0.2380829	-0.03400946	-0.2416813	-0.35608903	0.110130794	-0.07030374	-0.16063371	0.59160423	0.55830103	-0.21465269	-0.014631116	-0.50561714	-0.015466231	0.6581391	-0.96348417	-0.8836775	-0.9828228	-0.5110184	0.6086839	-0.27995875	-0.4881725	-0.9841162	0.25779223	0.11934174	0.9183011	0.41610345	0.6545821	-0.32068878	-0.13326012	0.38825318	-0.7874125	0.03399846	0.9430114	0.97464675	0.10115271	0.08749637	-0.16873424	-0.3003593	0.10057367	-0.078540444	-0.061109696	0.1375615	-0.082164794	-0.3535485	0.08062291	-0.52141595	0.57716537	-0.998008	-0.21161409	0.8485093	-0.019208988	0.6868645	0.060002495	0.42870378	0.39697507	-0.99878794	-0.48412412	0.35906127	-0.55149883	-0.33095047	0.59830415	0.8962099	0.6626826	0.55701095	0.32730025	-0.27772257	0.051229615	-0.22319654	-0.53351337	-0.16578561	0.776413	-0.19955438	-0.20478263	-0.16794014	0.13312918	-0.5301382	-0.109866165	-0.16962174	-0.107507594	-0.76982945	0.9921628	-0.031997494	0.48363727	-0.15249747	-0.7353027	0.34941363	0.5735892	-0.31402415	0.42806908	0.2727762	-0.0548718	0.42263037	0.14762925	0.38957936	0.9884226	0.44034252	0.2380364	-0.021690678	0.26877758	-0.15741053	-0.03737462	0.29072037	0.025497356	-0.64388657	0.047643732	0.9924329	0.31152174	-0.4337534	0.13981935	0.25713694	-0.2073174	0.13097852	-0.44679537	-0.13354002	0.40425962	0.23940787	0.9994027	-0.041915365	0.9677622	0.18512541	-0.21477656	0.4651628	0.6292511	-0.4032956	0.99559987	0.63050884	0.03566285	-0.41988498	0.15933087	-0.055447623	-0.019682271	-0.26113537	0.092566706	0.9970457	0.33114284	-0.7441117	-0.97457755	-0.08388133	0.09183667	0.5177987	0.2380304	0.43937197	-0.029191503	0.5561342	-0.23595613	0.2419718	-0.22100379	0.13338976	0.25432652	-0.43636802	-0.023708887	-0.94694585	-0.3109343	-0.22174789	-0.6459142	-0.3890522	0.117372155	0.0905899	0.23325214	0.04090318	-0.93275666	0.3048998	0.32001325	0.3187214	-0.47776195	0.6478396	-0.20641847	0.32646066	-0.5538761	-0.0955809	0.27565005	-0.2706758	0.09999019	-0.76146007	-0.09072894	0.13740486	-0.7032001	-0.42978218	0.12616022	0.25651556	0.35568738	-0.025672609	0.10665944	-0.2826301	-0.55755043	0.88759726	-0.45018625	0.102629706	0.38028717	-0.6013168	0.036580905	0.3642819	-0.73402536	0.21165223	0.087087795	-0.04094193	-0.22074439	0.23917577	0.40839103	0.36767662	0.99667156	-0.2952504	0.39039186	-0.5007343	-0.29731318	-0.10296743	0.5124658	-0.53623545	0.37124637	-0.10684201	0.59789044	-0.4474341	-0.1449199	-0.06365932	-0.035985835	-0.058248512	0.8728855	-0.07193507	-0.5287673	-0.16158135	0.15021804	-0.37749162	0.10410058	0.41867584	-0.52419287	0.55264336	0.1926696	-0.99863654	0.006393766	-0.008049946	0.06931767	0.20889576	-0.07223207	0.005093012	-0.15942897	0.046324484	-0.3235282	0.7010193	0.058419026	0.02224391	-0.26721266	-0.18356138	-0.11743461	0.21745911	-0.638078	-0.01092888	0.002508016	-0.9364404	0.17371164	0.11453676	0.030337099	0.2207109	0.106566094	-0.022031847	-0.45751834	0.82667357	-0.6134087	0.9945541	0.061611794	0.7434857	-0.6228861	0.8354541	-0.33530566	-0.5270101	0.17370334	0.060849667	0.28243718	0.9953054	-0.47720742	0.7529725	-0.17584845	0.44734386	-0.99788344	-0.5211676	0.07871674	-0.19125424	-0.43547657	0.3839668	0.6538704	0.12101885	-0.23795818	0.07759017	0.9987019	0.3325166	-0.15456182	0.16443957	0.08387701	0.4489092	0.66030043	0.16276094	0.86226207	0.4653794	-0.19328485	-0.55066586	-0.9646696	-0.40375397	-0.59781426	0.37149256	-0.005265025	-0.792387	-0.06724195	-0.46342704	0.22973192	-0.71742296	0.5138221	0.18875682	-0.24860929	0.12879185	0.08414562	0.5743488	0.11697378	-0.47208992	0.037593212	-0.017261172	0.19063485	-0.67168236	0.16710527	-0.17362845	0.23049058	0.8362048	0.42337266	-0.15141936	0.12535132	0.4136594	0.6366558	0.9686354	-0.98130935	0.26519707	-0.19272105	0.027763736	0.11042856	0.42319557	0.30655888	0.64529544	-0.0248703	-0.07430395	-0.39931828	0.10321979	0.49493626	-0.15915331	0.13176095	0.4748249	-0.22601052	-0.84427494	0.15835625	0.041606084	0.1304526	-0.24410707	-0.61402434	0.9144536	0.20072503	1	0.07095509	-0.2769882	0.13404301	-0.34594497	-0.8167268	0.001900348	0.6536258	0.28466672	0.56422293	-0.6036258	-0.41915423	0.17147794	-0.38092443	-0.20937417	0.05597348	0.09962362	-0.30660066	-0.76764244	-0.3620367	-0.36462623	0.65564644	0.53678215	0.21746284	0.59394217	-0.8624776	0.55594677	-0.5467281	-0.30107853	-0.301972	-0.3323831	0.1834358	-0.16848446	0.60259646	-0.10497427	-0.02277367	0.26326832	-0.32747182	-0.044002328	0.3882383	-0.56952995	0.9997861	-0.2544686	-0.7195339	-0.14221816	0.83188075	0.20662132	0.13966559	-0.99666536	0.123243555	-0.22350553	-0.5124592	0.17918366	-0.38833636	0.6220098	0.25996238	0.82511055	-0.11451854	0.057986945	-0.16433217	0.23420094	-0.04280192	-0.17877948	-0.99761134	-0.9999999	-0.98389286	-0.39025307	0.012968349	0.29260162	0.27325007	0.00351714	0.44074497	0.20679675	0.7325025	0.061053086	-0.2611812	-0.19878483	0.2192674	0.059926584	0.14529958	-0.2469255	-0.39977616	-0.99101806	-0.9984528	-0.32803565	-0.65272397	-0.04594215	0.3531302	0.28982663	-0.9405258	-0.39924815	-0.48443365	0.04482243	-0.44248495	-0.24315247	-0.07158621	-0.8879818	0.5822199	0.8199056	0.48890167	0.8670976	-0.034210227	-0.6821496	-0.28516087	-0.13342622	-0.21395518	0.8350848	-0.3083853	0.48118758	-0.7444515	0.4049543	-0.08950282	-0.48471385	0.58427393	-0.45608237	-0.23657218	0.17364159	-0.081012614	-0.9918931	0.36286318	-0.5673292	0.29161662	0.28418463	0.21957709	0.9983229	-0.5180404	-0.29283366	-0.03100458	0.3951238	-0.09240033	0.02889528	0.9478719	-0.19312406	-0.42060924	-0.46310398	0.76452994	0.033978455
69	0	CCCCC(CC)C(=O)O	-0.8073605	-0.011591376	-0.7716954	0.17913218	-0.2056753	0.030164251	-0.5472563	-0.020368995	0.11283514	0.0819309	-0.67183566	-0.1255361	-0.25926808	-0.7535019	0.3374682	-0.21248512	-0.008857376	0.093457885	0.21188465	-0.5745937	0.51611763	-0.8301172	0.26710668	-0.3228913	-0.08787919	-0.22444141	-0.12494066	-0.07670659	0.09688756	0.24857949	0.291572	0.6906359	0.44577157	-0.5619243	0.07538951	-0.7049349	-0.087783895	0.54972076	-0.731868	-0.58973706	-0.99589324	-0.8421905	-0.10075408	0.20481281	0.09594499	-0.99563664	-0.09208204	0.30767614	0.9786644	0.17076385	0.6078006	0.6355383	-0.23580936	0.49177518	-0.94792014	0.23591642	0.53968024	0.9647901	0.0949821	-0.14092429	-0.005151723	-0.53247875	0.22462326	0.15710254	0.36572966	0.11556643	-0.6338656	0.46224523	-0.014197211	-0.6600841	0.74111265	-0.97336596	0.345487	0.88484204	-0.025151202	0.57067716	0.05930132	-0.18201157	0.116010256	-0.9998897	-0.24345307	0.32733542	-0.24047661	-0.028319154	0.44254255	0.60588926	0.49528712	0.44081554	0.3897201	-0.36911547	0.12954494	0.3375769	-0.23717533	0.4048606	0.91768163	-0.5671684	0.019948492	-0.53733706	0.30230555	-0.4031397	0.21419886	0.34903866	0.29872137	-0.79155236	0.97954893	0.49412668	0.40760657	0.5083497	-0.906937	0.26071572	0.36059675	-0.45236954	0.068727314	-0.5829338	-0.48501244	0.60492426	0.1189234	0.3011147	0.9983244	0.09668291	0.22194417	0.13022153	-0.7106076	-0.29171523	-0.4588385	0.53676724	0.4082919	0.24242093	0.56310785	0.9997344	-0.04180593	-0.24110495	-0.14046837	0.34139886	-0.6926647	-0.7250899	-0.20073792	-0.15815814	-0.50768065	-0.078377664	0.9998629	0.23989198	0.9851768	0.14924228	-0.26707387	0.036851827	0.39293927	0.19796894	0.99698156	0.48317656	-0.44151357	-0.89128745	0.2802819	0.076427095	0.13784903	0.014135422	-0.13238	0.9991707	-0.55864847	-0.8300866	-0.99018633	-0.4315869	-0.5369144	-0.26636592	0.1269797	0.23483641	0.5347089	-0.15459795	-0.031808533	0.10324696	-0.19055147	0.4326312	-0.019670306	-0.49952412	0.35532892	-0.9826147	-0.732993	-0.5485754	-0.46918476	-0.13796954	0.017753158	-0.8358942	-0.06552342	-0.042125393	-0.93568575	-0.034020584	-0.2631779	0.40244642	-0.54563177	0.13222249	-0.30168167	0.13256769	0.18035248	0.43676117	0.005789982	-0.2720717	0.14489627	-0.18704651	-0.23102199	0.20403537	0.008728514	-0.47634393	0.26442575	-0.43213946	0.4034862	-0.15391234	0.072234824	0.26997393	-0.22494312	-0.6441815	-0.11232133	-0.0068928	0.2754249	-0.66105765	0.37150493	0.23105532	-0.7812746	-0.24379833	0.41302302	-0.05899044	0.23642804	-0.06962347	-0.07588162	0.061659656	0.99348813	0.30142692	-0.18751864	-0.29961324	-0.24983174	-0.74192137	0.21057941	-0.7603066	0.67657346	0.062384002	0.053306155	-0.45388716	-0.29536298	-0.42104986	-0.17888156	-0.5140863	0.82438195	0.18204367	-0.11795035	-0.13683945	-0.632297	-0.2901078	-0.34274873	-0.06858704	-0.49942362	0.13837755	0.4839211	-0.9997996	-0.5196292	0.24472174	-0.059494242	0.12628233	0.13329893	-0.33342552	-0.007426639	-0.11112932	-0.3765839	0.69231343	-0.35575303	-0.46524927	-0.14585882	0.5730211	0.05852951	0.4252719	0.80102783	-0.11602225	-0.40526623	-0.941375	-0.33708408	-0.26763847	0.10745831	-0.31140333	-0.021349305	-0.6842514	-0.19236498	0.78302664	-0.15642601	0.99905723	-0.027028402	0.51116216	-0.36046228	0.48684168	-0.15137498	-0.3639504	0.22967027	0.22402146	0.35226882	0.9990006	-0.263199	0.76040024	-0.16953567	-0.64411104	-0.99886507	-0.96434575	-0.5123377	0.07056534	0.000211744	0.23766625	-0.11598664	0.3334176	-0.16348681	-0.67053443	0.99863064	0.1375472	-0.29760087	0.22005849	-0.54297656	0.26086384	0.43272763	-0.22797786	0.16750094	-0.32354903	-0.4937542	-0.2597676	-0.97850853	-0.7245848	-0.30208853	0.5162908	0.060256105	-0.7373504	-0.22948527	-0.517373	0.4611845	-0.9830076	-0.049001202	-0.23026627	0.21667154	-0.302238	-0.023417039	0.045790963	-0.30576533	0.52472764	0.3538931	-0.39448193	0.44064862	0.15149744	0.047179006	0.31197548	0.5606154	0.72109604	0.08840412	0.46191418	0.24374415	0.6721898	0.33016762	0.96628636	-0.995244	-0.011945341	0.36997274	0.29771376	0.09373535	-0.16469687	-0.2021882	0.993741	-0.42579988	-0.11449415	0.16612394	-0.4501771	0.005371272	0.1689792	-0.46627373	-0.11513338	-0.3422109	-0.33858934	-0.48720422	0.18789266	-0.2116431	-0.64952403	-0.509877	0.9570963	0.39788485	1	0.09936279	0.13564683	0.48931	0.15763387	-0.90068924	-0.08097788	0.3398387	0.06373585	0.4287879	-0.22607636	-0.047055494	0.39017373	-0.3017318	-0.040059216	-0.26979083	0.08074263	-0.07858104	-0.1585929	-0.28739527	-0.68122345	0.14248897	-0.32532427	0.5603538	0.5645809	-0.91248006	0.017797465	0.17404649	-0.051521745	-0.29761392	-0.3584521	-0.36640024	0.07892785	-0.56842756	-0.005590675	0.5535537	-0.066052	0.10613632	-0.33796737	0.683962	0.019571688	0.99996436	0.24810155	-0.82172227	-0.29140228	0.9986112	0.20069352	-0.16963586	-0.9984934	-0.33645874	0.37767932	0.3558611	-0.18319546	0.38589925	0.25035572	0.06432911	-0.09647564	0.1904163	-0.19450238	-0.14343098	0.23206703	0.48023865	0.08214763	-0.9997529	-1	-0.9962994	0.033325493	0.36744037	0.25000072	0.4581632	-0.3999427	-0.47060445	-0.16469392	0.5660813	-0.068273574	-0.13777605	-0.0498001	-0.2361062	0.14961073	-0.30875075	-0.25976488	0.012146176	-0.99175704	-0.9997332	-0.36402234	-0.63878465	-0.04712233	0.6280305	-0.6037721	-0.9620941	-0.40145087	-0.321598	-0.19430669	-0.35320142	0.22715473	0.27939683	-0.9355295	0.6002221	0.7073385	0.20288117	-0.074449115	0.039452355	-0.8171589	-0.124202736	-0.09773847	-0.4527414	0.59880996	-0.1063803	0.28289142	0.14701714	0.032495882	-0.35724378	-0.053254783	0.12232282	-0.09064416	-0.18137312	0.08811451	-0.08630332	-0.9659424	-0.24853103	-0.36195952	0.18651606	0.20546943	-0.1382315	0.9999036	0.28745556	-0.5870951	0.37772977	0.058279462	0.42493194	-0.14129373	0.72931606	-0.6245373	0.03741771	-0.12365607	0.89359725	-0.16576147
70	0	CCCCCCOCCO	-0.45478454	0.1854932	-0.14768435	0.5793134	0.21848062	0.25249016	-0.14656326	-0.18062076	-0.61547333	-0.37848568	-0.6098188	-0.29301113	0.23244825	-0.45717284	0.5153671	0.43874735	0.58137476	-0.011032199	0.35826403	-0.4393684	0.17900969	-0.872709	-0.21454404	0.42618406	0.22711241	-0.34521437	-0.05763037	-0.39088902	-0.026938664	-0.10348473	-0.1377972	0.6412319	0.6038152	-0.16596325	-0.101408534	-0.5063934	0.05179806	0.76947457	-0.93897283	-0.9179033	-0.98471725	-0.4588542	0.25803244	-0.42138928	-0.41098294	-0.9917672	0.04083207	0.088180766	0.8890703	0.44102785	0.6887424	-0.32002014	0.11976232	0.36160183	-0.8073491	-0.3981366	0.9594328	0.9874864	0.019658895	-0.059025437	-0.3327596	-0.35460877	-0.11921777	0.16681926	0.005177922	0.2801714	-0.09766591	-0.22505406	0.2014611	-0.21339123	0.52956307	-0.9951639	-0.26194164	0.7899134	0.062354565	0.7095162	0.1705317	0.6343062	0.32680753	-0.9992134	-0.49404323	0.34577608	-0.43228918	-0.45242023	0.6672671	0.7313943	0.42104766	0.49940467	0.32212803	-0.43044096	-0.19052872	-0.24555677	-0.41227123	-0.16538575	0.8268121	-0.16182634	0.23865154	0.07926377	0.40812683	-0.58219343	0.33186054	-0.124603584	-0.249354	-0.41301942	0.9921116	0.070916064	0.50365436	0.006073422	-0.59355253	0.43504447	0.6856798	-0.08766669	0.42270657	0.11898692	0.044232335	0.20813857	0.36677358	-0.029163536	0.9935799	0.6253101	0.03145554	-0.26487228	0.3877895	-0.25053027	-0.07923659	0.26127908	-0.06640482	0.18129182	0.045348357	0.998063	0.35943857	-0.037191242	-0.41554418	-0.026147459	-0.32314312	0.008046527	-0.46420437	0.20234759	0.3791041	0.41221341	0.9994266	-0.18141694	0.9843068	-0.089391105	0.02565436	0.47579286	0.0896701	-0.64464504	0.9969857	0.72640324	0.001081813	-0.7028548	0.2520991	0.35751534	0.017714726	-0.12238998	0.2680749	0.9986814	0.33016682	-0.64830405	-0.98235255	0.11325821	0.03950001	0.5099333	0.52953345	0.33292553	-0.3300661	0.33074662	-0.1509904	0.26026914	-0.017439203	0.1847809	0.18626133	-0.16704471	0.13209298	-0.96726257	-0.26895484	0.036807124	-0.71693414	-0.22176991	-0.2072748	0.13421157	0.23809251	0.37003174	-0.94338346	0.5080651	0.2128773	0.54233396	-0.591219	0.75016207	-0.4910752	0.41684222	-0.41050595	0.0939177	0.16523492	-0.34410203	0.011341983	-0.7373892	0.04970582	0.32629004	-0.570405	-0.6121775	0.050580945	0.27110305	0.24075861	0.16634284	-0.032255452	-0.5087441	-0.32949674	0.2904505	-0.24148409	0.15233777	0.15313661	-0.719048	0.11551047	-0.02759212	-0.7304099	0.3376345	0.16322187	0.0115557	-0.43711406	0.6134363	0.25033286	0.47142863	0.99438316	0.38640946	-0.10101117	-0.28370118	-0.11729208	-0.2357832	0.42002663	-0.24863477	0.29145598	0.0638043	0.1207424	-0.24537095	0.15879023	-0.24313495	-0.050040144	0.05445827	0.89106107	-0.2405913	-0.56281453	-0.09338449	-0.40705207	-0.41895935	0.027183156	-0.07796512	-0.50164723	0.4763904	0.19484961	-0.99936837	0.11603756	-0.23041612	0.14091647	0.38169032	0.030939529	-0.28924412	0.08196278	-0.062043406	-0.04383203	0.6375834	-0.20962347	-0.091410324	-0.043318328	-0.011025517	0.28659147	-0.47744018	-0.7420972	-0.23080198	-0.2041193	-0.8703366	-0.057145175	0.019822383	-0.15160468	0.16578948	0.3122949	-0.025029145	-0.4514901	0.8452386	-0.46735343	0.997143	-0.33422092	0.7119245	-0.49555284	0.6586049	-0.19483721	-0.22251298	0.55112416	0.12265652	-0.36305383	0.99825984	-0.3200745	0.5816989	-0.15549684	0.4997031	-0.9968301	-0.868052	0.13193563	-0.000888358	-0.44676453	0.28258595	0.6488904	0.4553354	-0.25668576	-0.36287773	0.99861264	0.43762124	-0.21794525	0.022089267	0.1957733	0.5226657	0.52327806	0.27637523	0.8743511	0.5298772	-0.20419845	-0.27963087	-0.9772954	-0.102554046	-0.3710524	0.47777882	-0.42553106	-0.86991286	-0.007400218	-0.692024	0.29313475	-0.7804781	0.59401315	0.28020692	-0.1384567	0.17424518	0.33904493	0.41925484	0.27692798	-0.122975454	-0.124749966	0.06024987	0.47400737	-0.5922748	0.012419689	0.0984966	0.3520312	0.86304903	0.555635	0.2515382	-0.17311111	0.18037972	0.4503131	0.97449434	-0.99188143	0.15191454	-0.48771322	0.060582213	0.30628008	0.5375335	0.4388681	0.97632325	-0.22147663	0.038814068	-0.61937535	0.09164508	0.67762667	-0.22184744	0.19731474	0.42892328	-0.06680657	-0.8474758	-0.10792699	-0.015782723	0.038122118	-0.50113386	-0.7848194	0.93066174	0.000731403	1	-0.09419909	-0.26965898	-0.000820078	-0.22229767	-0.7329631	0.047890488	0.67786247	0.5181438	0.51299983	-0.5165162	-0.27299848	0.24003626	-0.55758196	-0.217591	0.19185413	0.03819783	-0.33322683	-0.6284435	-0.08449014	-0.682642	0.48581377	0.35661256	-0.24830426	0.4250487	-0.8862755	0.046871558	-0.47880444	-0.17350622	0.014494844	0.10090961	-0.02704519	-0.33949667	0.50700027	0.21846513	0.042356182	0.023953622	-0.33990997	-0.3112646	0.567744	-0.7307623	0.99987614	-0.028804597	-0.7746764	0.20004474	0.97678506	0.12803836	-0.08040585	-0.99723303	0.041594066	-0.36925235	-0.71489066	0.3952425	-0.12532291	0.5483989	0.021114185	0.43788272	-0.12235947	-0.26131162	-0.17959857	0.06516134	0.31471118	-0.09657701	-0.99807197	-0.99999994	-0.987033	-0.026751665	0.116802566	0.43900847	0.30208218	-0.09002966	0.7795362	0.17013662	0.685492	0.44505608	-0.4136046	-0.33576956	0.04999105	0.22400624	0.4008716	-0.08388572	-0.3443	-0.9921582	-0.99873096	-0.41019633	-0.39134818	0.3445199	0.08123126	0.32742873	-0.97271764	-0.5518341	-0.6552823	-0.34346414	-0.26130185	-0.2194404	0.104671605	-0.84113723	0.2690221	0.5386965	0.56700927	0.85924363	-0.022352599	-0.752399	0.014587384	-0.11575784	-0.27734214	0.7779232	-0.11477027	0.43898317	-0.25075123	0.60358006	-0.16066787	-0.2695997	0.45792347	-0.68068874	-0.48084173	0.3512468	-0.32692137	-0.98357826	0.52305365	-0.4268885	-0.047981866	0.11465968	-0.020754537	0.99944097	-0.14506628	-0.08622863	-0.13879561	0.16009004	-0.3260874	0.15056695	0.8481145	-0.08973624	-0.21933642	-0.4825119	0.7392468	0.06344113
71	0	Sc1nc2ccccc2s1	-0.36270368	0.39976406	-0.16090761	0.16857581	-0.45888585	-0.15393251	-0.36381552	0.13257535	-0.11224704	-0.253106	-0.25935498	-0.11088224	0.14002402	-0.6071054	-0.28320068	0.49493167	-0.652047	0.6720892	0.23981257	0.38192707	0.45213658	-0.70982367	-0.09285845	0.293974	0.5375629	0.5762244	-0.019735554	0.10882522	-0.105114885	-0.002216017	0.04771858	0.4344692	-0.40882573	0.016534273	0.26696333	0.20002894	-0.19644059	0.51200956	-0.512933	-0.97897875	-0.9943957	-0.3353378	0.19941214	0.26254115	0.3187369	-0.9960801	0.318644	-0.08679036	0.9828555	-0.23870997	-0.42538494	-0.13764085	0.22634156	0.18125123	-0.9577158	0.551553	-0.5929502	0.95099163	-0.16333187	0.1891539	0.029566832	-0.54780626	0.5963983	0.14563383	0.4051817	0.42226648	0.09004034	0.3944459	0.034159005	-0.1027658	0.3531702	-0.9783357	0.2863739	-0.5394832	0.21810058	-0.5915459	0.0447358	-0.24173963	0.56425893	-0.9982295	-0.55323595	0.17028905	-0.71194047	-0.22336307	0.45471174	0.18496558	-0.04194682	-0.498774	0.12825505	-0.34815538	0.34001452	-0.40085116	-0.051908758	-0.4433513	0.3050291	-0.0000629	-0.4411249	0.040516954	-0.44264632	0.006933765	0.16437323	-0.12215578	0.1953561	-0.70666915	0.9749068	-0.8730123	0.25879622	0.2741548	-0.43727103	0.35720995	-0.36882323	-0.12999384	-0.18788739	0.015252494	-0.12717384	0.5824879	0.3859166	-0.26973704	0.99885505	-0.47023964	-0.59199625	-0.082065396	0.18974392	-0.25951925	-0.13286707	0.004136351	-0.4124256	0.17388706	-0.57399595	0.9990895	-0.07190667	-0.015402111	0.60357505	0.11129568	0.43156305	-0.33653754	-0.50524956	0.49795058	-0.1775929	0.17541777	-0.9997513	0.11827311	0.9913254	-0.04293091	0.24482082	0.18725984	0.07110277	-0.43267965	0.9970785	-0.5877557	-0.036668465	-0.39583483	-0.20117086	0.13390748	-0.315769	-0.51448834	0.27683535	0.99944025	-0.038534787	-0.44046253	-0.99174494	-0.18814982	0.28814313	0.09861746	-0.19171709	0.29817873	-0.22166345	-0.053814296	-0.06402608	0.23341385	-0.7222283	-0.15187731	0.6896903	-0.106537126	-0.2234644	-0.6131178	-0.78429306	0.36379132	-0.679551	-0.14406152	0.34678364	0.4491058	0.35990363	0.7465401	-0.9562492	-0.2405217	0.54719245	-0.06625738	-0.5350261	-0.3066035	0.7378796	0.32395503	0.17778918	0.6561496	-0.16095248	-0.38837633	0.04611899	-0.7725415	0.107342064	-0.16871539	0.6239433	0.31987542	-0.6228709	0.20996699	0.52121073	0.018701755	0.2115015	-0.28150576	-0.052680217	-0.75855935	-0.24458338	-0.35222685	-0.25260922	0.15379226	0.2614047	-0.3633789	-0.21159264	-0.014084617	-0.50116134	0.55586827	-0.6012766	-0.5849432	0.109766446	0.26538128	0.88705933	-0.31680933	-0.15782191	0.29573664	0.2427368	0.031575527	-0.03672104	-0.22912244	0.63505113	-0.53580064	-0.16261871	-0.25305042	-0.5779035	0.4371268	-0.11617571	0.18542564	0.8522209	-0.4223439	0.043290183	0.1979003	0.7494072	-0.27784288	0.5644974	0.20969945	0.31893855	-0.14058705	-0.36576626	-0.94571304	-0.82307315	0.25452915	-0.37932932	-0.28288835	0.29947972	0.35194397	0.46780798	-0.46316138	-0.1781855	0.39878267	0.5822585	-0.33065137	-0.22549717	0.03683919	0.1412711	-0.018521756	-0.5996502	0.49276504	0.542257	-0.62950057	-0.30432713	0.44832307	0.25269955	0.9132059	0.32043347	0.1630252	0.5063064	0.7225185	0.13382132	0.99928147	-0.29294127	0.83656645	-0.49283063	0.2895626	-0.15562949	-0.5483969	0.69697064	-0.003556258	0.34838024	0.9995469	0.45718604	0.68591064	0.2887128	0.48624712	0.9999369	-0.9256487	-0.13375346	0.1654576	-0.13522875	0.27152023	-0.25604048	0.13682161	0.92611086	0.4710717	0.9988427	0.8084839	-0.6658293	-0.09460199	0.3554764	-0.5340432	0.2975984	-0.22347592	0.91719633	-0.08987139	0.19215854	0.12938185	-0.9794816	0.05711038	-0.11353776	0.26009402	0.28935245	-0.5005673	-0.34602478	-0.6791981	0.34664243	-0.8678173	-0.2048336	0.30923897	0.3587596	-0.12010733	0.087539	-0.23432681	0.0904338	0.22468011	0.062775925	-0.22565153	-0.46022278	-0.39250702	0.24287789	-0.39421976	-0.025927342	0.71719295	0.06871344	0.46942526	0.4734308	0.42039275	-0.347806	0.95109826	-0.9956912	-0.16098298	-0.017893502	0.35465753	0.4279047	0.29945368	-0.1917519	0.9738943	0.0568326	0.30872303	0.5748879	-0.470588	0.52974313	-0.55921686	-0.7343978	-0.5218416	-0.13444266	-0.725205	0.17715825	0.2501027	-0.08873405	0.25368577	0.5586578	0.872506	-0.2837263	0.99797046	-0.07522593	0.07294881	-0.28325176	-0.1007804	-0.9227341	-0.28893536	0.002130144	-0.008196561	-0.49381304	0.1792412	-0.40023932	-0.25393766	0.052995462	0.83123493	-0.16018309	0.32165536	-0.43394738	0.5263693	-0.26925254	0.5326891	0.68015647	0.39851347	0.8497928	-0.2784812	-0.9218232	0.50789994	0.52232367	0.29919714	-0.5228087	-0.22051346	-0.3063037	0.2618197	-0.2726223	-0.21060182	0.7820445	0.4847774	0.36835933	0.31405962	0.3413664	0.14266635	0.99996203	-0.3336062	-0.96525776	-0.10071438	0.9975745	-0.264993	-0.07902492	-0.99827415	0.1866873	0.5628244	0.64867073	0.10022695	-0.7552696	0.3606706	0.23924005	0.41604623	-0.01903797	-0.45071515	-0.5222879	-0.26955366	0.1269698	-0.2030949	-0.9999342	0.98685664	-0.9951551	-0.12437748	0.1033708	0.4075749	0.28727028	0.15581515	-0.8097309	0.6547125	0.43464616	-0.5369999	-0.36210907	-0.23957539	0.12406456	-0.5056068	0.022821711	0.3814792	0.005900154	-0.9925467	-0.9998527	-0.53717065	0.26659796	0.058925964	-0.3921395	0.016818075	-0.9863575	-0.25442106	-0.5150553	-0.22201338	0.5188843	-0.09186498	0.16532846	0.9663116	0.33489788	0.7345204	0.44677863	0.2865486	-0.10330078	-0.7402604	-0.4073271	0.70942307	-0.8174766	0.2962463	-0.70857555	-0.12239262	-0.17489249	0.010934678	0.31051674	0.28026968	0.57909924	0.59617245	0.046043705	-0.10446164	0.23185942	-0.9591666	0.3831584	0.644099	-0.47200364	0.1785869	0.25252843	0.99884415	-0.45331866	-0.014089087	0.14445692	0.55460536	-0.003306673	0.27781218	0.8559274	0.09738072	0.2963573	-0.37978134	-0.16702554	0.04727554
72	0	COc1ccc(C)cc1N	-0.4483976	-0.35106063	0.34079406	0.022995025	0.114094704	-0.34113422	-0.35701114	-0.015468518	-0.1986612	-0.04905738	-0.6862166	-0.7080533	0.4211458	-0.5908345	0.16512495	-0.001611337	-0.18621883	-0.030570172	0.6057992	-0.35722178	0.2526961	-0.90338486	0.68075156	0.24245016	0.44032446	-0.3145105	0.28280663	0.31334227	-0.3498406	-0.21331012	-0.41918123	0.56987196	0.18984699	-0.12161505	-0.36279857	-0.23672411	-0.04697526	0.56059366	-0.61472994	-0.9138101	-0.99290365	-0.42301437	-0.5788227	-0.015133845	0.3484118	-0.9961705	0.33148932	0.06600063	0.905207	0.3844372	0.04776194	-0.16735648	0.07063834	0.33576074	-0.95631695	-0.4352962	-0.59135634	0.9653632	0.3495644	0.07614565	-0.35265234	0.10247864	0.23361245	-0.3330936	0.50266486	0.6969511	-0.10483902	0.24132581	0.084357925	-0.16434471	0.6743465	-0.9953239	0.25880933	0.21251132	0.045306835	0.050568067	-0.65940315	-0.30111498	0.30182135	-0.986435	-0.26817945	0.24651088	-0.8961487	-0.2637174	0.35570908	0.63652134	0.025746945	-0.29901847	0.1262768	-0.39595944	0.083860114	0.113495395	-0.08613905	-0.003997157	0.5235018	-0.41107702	-0.25136775	-0.18959618	0.5346013	-0.4550234	0.39537767	-0.6734321	-0.03093738	-0.76526433	0.9835604	-0.41531616	0.30002907	0.35580018	-0.6858169	0.049395174	0.11909111	-0.29690266	0.23252743	0.19942683	-0.07914454	0.35077375	0.56526345	0.10899728	0.9978953	-0.20297791	0.044281248	-0.33567652	-0.22966003	0.16610703	-0.030074226	0.058445018	-0.01024223	0.12363788	-0.035095416	0.9979402	-0.16609421	-0.24887905	-0.02774112	0.029519968	-0.4050106	-0.25288466	0.37970757	-0.048523284	-0.63586986	-0.25700742	-0.98065877	0.087365896	0.9893118	-0.11654334	-0.2038359	0.5890616	0.14693193	-0.16499221	0.997212	-0.25431055	0.29319683	-0.52871364	-0.59622985	-0.23217367	-0.4304418	-0.17892835	-0.5269232	0.99900824	-0.21855256	-0.78597873	-0.98908454	-0.040417485	0.21238469	0.119373694	-0.19447517	0.20280899	0.5096938	0.40860346	-0.17852569	-0.025704788	-0.5322591	-0.31627864	-0.14725986	-0.632742	-0.105198964	-0.9627921	-0.76965487	-0.5051102	-0.7240385	0.2437044	0.53064793	-0.24797602	0.013600043	0.03450164	-0.9035685	-0.6069344	0.71005684	-0.11410716	0.11019148	-0.18925709	0.8394913	-0.10121855	-0.12788735	-0.029237479	0.13792977	-0.47766447	0.04402171	-0.35501167	-0.2699404	-0.42389137	-0.12615132	-0.13837227	-0.48100287	0.12701444	0.3782353	0.20478965	0.014523576	0.14781152	-0.16035797	-0.56243384	0.039548922	0.0607512	0.26081523	-0.36196044	0.17407429	0.24522229	0.12448495	-0.020519666	0.28915182	0.35434583	-0.52933294	-0.55421543	-0.11733957	-0.00590863	0.98201627	0.01955734	-0.28058425	-0.21578267	0.1850825	-0.5505043	0.10443319	-0.41160142	0.6877139	-0.341647	-0.3822033	-0.5460285	-0.5542173	0.14110006	-0.31156456	0.34492785	0.9199453	-0.28423917	-0.29298544	-0.097400814	0.6247605	-0.1744154	-0.14896528	0.59030753	-0.39650822	0.06889485	-0.23679976	-0.99704236	0.5694652	-0.26553732	-0.08510597	0.22612791	0.0908732	-0.1116171	0.19178928	-0.007455057	-0.65327466	0.22241558	-0.019824173	-0.15848953	0.45524025	0.19747213	-0.007750454	0.32162583	-0.97032475	0.46638474	-0.0501178	-0.85676503	-0.060976	0.5205073	-0.087204956	-0.44382286	-0.23234932	0.2032494	0.34182855	0.575106	0.19142795	0.9987057	0.028398814	0.3697357	-0.12453715	0.089373656	-0.23424506	-0.35647434	0.642605	-0.25481382	-0.35540032	0.9991495	0.31188634	0.87303406	0.30266252	0.10860627	0.9932866	-0.81767416	0.36535105	-0.43296388	-0.40507087	0.08846304	-0.03686661	-0.10349879	0.1582539	-0.31399167	0.99849486	0.20728822	-0.49278396	0.36952877	0.15660463	-0.30196324	0.10738385	-0.101943254	0.84180176	-0.40295812	-0.2536345	-0.19910221	-0.9927266	0.21655242	0.03586725	0.42722932	0.17818388	-0.4066497	-0.29887637	0.17889065	0.40423384	-0.8454605	-0.36215055	0.13542837	-0.08415227	-0.22743201	0.39249194	-0.29199976	-0.03162256	-0.3040393	-0.18075463	0.18539244	-0.6537641	-0.21037494	0.25667518	-0.03733331	0.0850138	0.38387793	0.2811436	0.64913374	-0.09583375	-0.124790385	0.23973694	0.9523964	-0.9945382	-0.1760507	-0.27474207	-0.06739119	-0.18492234	0.009675377	0.04244999	0.97261393	-0.045566358	-0.57537544	0.035318974	-0.09765941	-0.3216633	-0.25443667	-0.543425	-0.37948328	0.196167	-0.659198	-0.15328117	0.15001176	0.27350014	-0.2599748	0.42203876	0.95086426	-0.10901005	1	0.17154439	-0.24537493	0.12697735	0.14145407	-0.8827714	-0.35772607	0.020338928	-0.3806707	-0.6082563	-0.4955989	-0.47367272	-0.5831135	-0.035654046	0.6663384	0.12306916	0.09638917	0.48667324	0.30375552	-0.27535316	-0.43629825	0.39664522	0.5055502	0.9047991	0.5276825	-0.9172477	0.36875287	-0.0868883	0.21088058	0.30672228	-0.595758	-0.50075173	-0.31476918	-0.3646238	-0.33630762	0.29544762	0.5692096	0.027553346	-0.41562942	0.45713496	-0.46752328	0.9999621	-0.32060295	-0.99159074	-0.59740734	0.99401957	0.38323846	-0.38752997	-0.9973972	-0.3548922	0.6572349	0.44462255	-0.074721165	-0.3918111	-0.49278164	0.38050038	0.8168655	-0.18456449	-0.5288519	-0.46119446	-0.1608256	-0.15067914	0.2104635	-0.99957216	-0.9994926	-0.9949091	-0.28796506	-0.4118655	0.37762368	0.12874652	-0.7222647	-0.8298061	0.47582078	0.37312847	-0.29371518	-0.8381982	-0.3175615	0.47048324	-0.03390891	0.374325	0.36221886	-0.4581688	-0.9918944	-0.9996721	-0.6033837	-0.01755519	0.027968083	-0.38937044	-0.044187345	-0.96619487	-0.04186483	0.22882421	-0.1255272	0.11609873	-0.37222153	-0.330958	0.94463533	0.11068266	0.90672016	0.1617555	0.6099014	0.46134746	-0.7246502	-0.2031547	0.39022917	0.104109526	0.6815152	0.51658833	0.27594724	-0.30659997	0.47749752	-0.36615673	-0.6426783	0.047372453	0.605175	0.41460916	0.15053962	-0.03462972	-0.94433606	0.074334204	-0.26948193	0.19459409	-0.24239905	0.36753726	0.9979233	0.1518737	-0.010514492	-0.084940225	0.79496104	0.15146664	-0.16235869	0.8659415	0.17058444	-0.46865907	-0.2671687	0.6147312	0.25579628
73	0	COCCO	-0.2954034	0.2510116	-0.5772936	0.5835196	0.05764189	0.044329375	-0.1516912	-0.00800187	-0.6552133	-0.085741855	0.018705089	-0.43412814	-0.38349676	-0.46546742	0.3672579	0.25918096	-0.013091296	0.51461595	0.28035474	-0.19438562	-0.10908847	-0.79137385	0.21730627	-0.12107486	0.099427745	-0.22256377	-0.157501	-0.015126142	-0.10851117	0.023733627	-0.15511878	0.2147797	0.63157684	-0.016149916	-0.21379066	-0.53767824	-0.37292552	0.69398236	-0.9216875	-0.6314968	-0.93102175	-0.47991535	0.4779632	-0.5244996	-0.52231663	-0.91596055	0.28578043	0.15936193	0.8691676	0.73576117	0.18485928	-0.3030974	-0.14787732	0.14757949	-0.6808091	0.003754781	0.7726352	0.8572245	0.06651572	-0.32148078	-0.37711453	-0.034471717	0.36268649	-0.095671296	0.010831816	0.03867028	0.018799104	-0.6400028	-0.33348083	-0.26659024	0.4257256	-0.99818605	0.10673748	0.793493	-0.14502768	0.63082784	-0.38279492	0.4062818	0.5267285	-0.99214685	-0.31286713	-0.06346474	-0.39865798	-0.30869082	0.3708393	0.9512481	0.6432933	0.15082838	-0.018809907	-0.3999301	0.034337174	-0.24078129	0.13503316	-0.306354	0.74207723	-0.40959355	-0.75149244	-0.23074996	0.24307501	-0.3638548	0.111383885	-0.20706631	0.12764186	-0.8962221	0.95817363	0.14317599	0.55299634	0.084998645	-0.7756671	0.49363285	0.24407424	-0.15950298	0.55815	0.26213324	0.25323355	0.40024912	0.3479459	0.28018054	0.96480405	0.2610183	0.47627085	-0.044918902	0.2875874	0.005171495	0.14074467	0.22250423	-0.45512486	-0.3313038	-0.09072129	0.91643435	0.07346309	-0.6948459	0.3738991	0.23105334	-0.29417554	0.38898298	0.12856641	-0.5144543	0.40455627	-0.09580669	0.99239343	-0.14393243	0.86488634	0.22887602	-0.08796805	0.36459994	0.6390627	-0.18520992	0.96388274	0.3281114	0.49175328	-0.51167214	0.20577867	-0.3626177	-0.25870964	-0.70907956	-0.1563749	0.96435106	0.3783016	-0.5001158	-0.91146165	0.49196696	0.11347353	0.29024944	0.2065736	0.20679976	-0.012933497	0.8232085	-0.48760298	-0.0760422	-0.40419847	0.3127933	-0.2201544	-0.16460063	-0.26025093	-0.8984607	-0.2975206	-0.47993892	-0.18961477	-0.4741252	0.15715158	-0.3649075	0.051119115	-0.17113504	-0.63081187	-0.1311604	0.24111637	0.5649859	0.014373695	0.63177407	0.20981778	0.14966024	-0.46200907	-0.47254473	0.41101834	-0.54006636	-0.17274794	-0.7557678	-0.064972654	-0.2311709	-0.58942574	-0.46171805	-0.22565536	-0.09822043	0.30140117	0.13846233	0.034731176	0.4190284	-0.4524384	0.955646	-0.2855599	-0.37581626	0.3310561	-0.25025663	0.15042122	0.7127745	-0.26054958	-0.055677492	0.64949095	0.31696072	-0.44283432	0.20592886	0.59084773	0.19551761	0.9920396	-0.4959897	0.048433404	-0.28823492	-0.31231344	-0.39819974	0.27550188	-0.60718435	0.49943897	-0.30222225	0.4593345	-0.5121594	-0.53119403	-0.27853236	-0.0760827	-0.21812478	0.780214	-0.30472267	-0.7208582	-0.08436727	0.4675464	-0.28713024	0.1918336	0.2959563	-0.45302054	0.50433636	0.30671427	-0.9944542	0.4555833	-0.07418438	-0.015071706	0.44695008	-0.00680287	-0.54981625	0.08344505	0.22925289	-0.57643783	0.35253245	0.5767472	0.5397667	-0.2681208	-0.1310105	-0.3342616	0.5098931	-0.6670326	0.29140118	0.09199737	-0.960757	-0.000909157	0.15622619	-0.16284381	0.22119883	0.2661963	-0.040185947	-0.2491537	0.7223871	-0.45807534	0.9807735	0.16899413	0.4702122	-0.56163347	0.7378593	-0.17652321	-0.7858303	-0.2150721	-0.10501432	0.4518827	0.96855366	0.089369334	0.83735967	0.4371449	0.2472558	-0.98498267	0.54903525	0.18181244	-0.56061757	-0.37474734	0.16161226	0.48080608	0.16751157	-0.26397538	0.35622492	0.9907328	0.11459231	-0.05363616	0.18333188	-0.1352523	0.118230395	0.5899378	0.19144367	0.6822838	0.14778136	0.13394211	-0.4298398	-0.8280065	0.24974063	-0.46313533	0.09440318	-0.014921293	-0.42693853	-0.19097336	-0.122963324	0.3690858	-0.19749685	0.2075267	0.29765904	-0.030068982	0.014016443	0.23085527	0.60246855	0.1354016	-0.70502824	-0.24546072	-0.05289958	-0.500708	-0.61296344	0.51602864	-0.35420692	0.15788569	0.44280145	0.44967628	0.15422961	0.045976948	0.31840757	0.7802835	0.89837754	-0.86195743	0.23994511	-0.051357366	0.0749922	0.063589975	0.23659584	0.14829555	-0.92942286	-0.121846505	-0.19276887	-0.30795646	-0.04039391	0.111332715	-0.03927355	-0.04960766	-0.051349066	-0.14871655	-0.80326194	0.32702917	-0.22224009	0.31526515	0.094059564	-0.13220385	0.7142477	-0.027780848	1	0.26950607	-0.1831449	-0.27161652	-0.5296077	-0.7869179	0.05848962	0.43747658	0.15063347	0.2772703	-0.6961092	-0.30317634	-0.30317208	-0.31594247	-0.33456972	0.026972726	-0.007399241	0.062740006	-0.38057813	-0.44319388	-0.18157688	0.4644842	0.7991223	0.49372292	0.7409394	-0.629615	0.13962384	-0.5114426	-0.45474097	0.09692978	0.22564462	0.23697129	0.45248207	0.17179847	-0.2097808	-0.30479428	0.43856177	0.065590456	-0.013367231	0.5692033	-0.7102409	0.99802274	-0.12575729	-0.20803942	-0.36217868	-0.73157054	0.19641158	0.44380608	-0.9863756	0.16905658	0.28974837	-0.4291956	0.16722052	-0.50402063	0.041406333	0.2636911	0.9406929	-0.6774785	-0.395591	-0.18804687	-0.092596196	0.31821015	-0.048666667	-0.9969626	-0.9999811	-0.9415787	-0.6869027	0.26936924	0.22345634	0.31746784	0.06375446	-0.033083145	0.49978635	0.7957342	0.23357397	-0.18421817	-0.060504112	0.51813835	0.37468764	0.015577857	-0.17815992	-0.82627857	-0.94539374	-0.9974748	-0.12755777	-0.31350166	0.12397725	0.087201715	0.05079041	-0.6549046	-0.43907022	-0.27781847	0.31906173	0.14272909	-0.43414614	0.027144356	-0.8096854	0.6129452	0.8751316	0.5583365	0.6455821	-0.17839782	-0.39343798	-0.16441637	0.5135196	-0.21269354	0.8812925	-0.41616157	0.32601517	-0.6254199	0.5942391	-0.3504038	-0.16025202	0.24934456	-0.064019114	0.12906078	0.28202844	0.23347904	-0.96889246	0.3407898	-0.34221682	0.23521236	0.3545751	0.20690307	0.728695	-0.5207702	-0.31271997	-0.12924366	0.3814694	-0.29348424	0.40607786	0.9221239	0.007133519	-0.42924368	-0.55922407	0.6470206	-0.33112916
74	0	CC(O)CC(C)(C)O	-0.76450706	-0.30807614	-0.5202915	0.6844355	0.3851814	-0.05536572	-0.3388804	-0.022363592	-0.33997828	-0.62164134	-0.42399853	0.15727735	-0.5350559	0.6774889	0.25196716	-0.08611045	0.2651436	0.001928578	0.50618845	-0.1824091	0.10781147	-0.8903473	0.1139995	0.1247622	0.055445198	0.2440128	-0.38754347	0.13292769	0.075704336	-0.09292909	-0.23041426	0.8712117	0.5558329	0.32516998	-0.22323404	0.27513638	0.012973622	0.8014459	-0.84151894	-0.7571499	-0.9813802	-0.13513382	0.059722718	-0.3755763	0.51175404	-0.99666154	0.63301814	-0.2602011	0.9157247	0.08547295	0.61172235	0.17973365	-0.5230601	0.17544864	-0.900231	-0.20817082	0.3175852	0.96752584	-0.11462244	0.47548455	-0.42179596	-0.64681625	0.21371363	0.31188008	0.020300902	-0.39819303	0.74741995	0.011749697	-0.39373374	-0.18115512	0.5173919	-0.9990015	0.59616107	0.8917541	0.28313613	0.5772422	-0.075786225	0.13265054	-0.30333003	-0.9995199	-0.8272094	0.23202264	-0.2997699	-0.6813422	0.14784482	0.9112791	0.07507647	-0.28864005	-0.026292522	0.24438944	0.3148572	0.44670814	0.2912495	-0.15455633	0.702847	-0.13904092	-0.31595713	-0.42242917	0.31601575	-0.43632668	-0.1112265	-0.005148111	0.28094438	-0.91390216	0.9882028	0.42130458	0.25583532	-0.029419838	-0.9979126	-0.34361577	0.16815948	0.19351605	0.06934298	-0.27128926	0.28560695	0.37046772	0.01812971	-0.41882655	0.9986817	0.07639812	-0.11684248	0.28825447	-0.22565505	0.21036479	0.24205473	0.18851684	-0.19970404	-0.09486381	-0.53741	0.99223375	0.21264444	-0.3070801	0.3939891	0.25633478	-0.09306081	0.789618	-0.3390683	0.54394186	-0.40993518	0.19786896	0.9990972	0.6453819	0.99013674	0.396792	-0.6136036	-0.120191485	0.40328646	-0.14997183	0.9968311	0.28615522	0.3829085	-0.5899763	-0.3828867	0.5934215	0.26801518	-0.32223678	-0.06376711	0.9992971	-0.5899716	-0.49711514	-0.9898357	-0.49262336	0.05837911	0.36714086	-0.005451036	-0.3365163	0.5756864	0.37383482	-0.39013466	-0.02396983	-0.7688342	-0.017992612	0.38901556	-0.119464666	-0.001607454	-0.97912467	-0.731883	0.36856633	-0.6109417	0.15726504	0.19138508	-0.21642713	0.28758886	-0.14850454	-0.7680311	-0.01126028	-0.23420466	0.49709037	-0.20838352	-0.3566389	0.41063187	0.5563502	-0.3577101	0.7594155	-0.20559454	-0.34601164	0.29556882	-0.0372526	-0.5477601	-0.4592885	-0.19175912	-0.34128624	-0.68632054	-0.030053396	0.7209765	-0.38423142	0.2471411	0.39898407	0.009461601	-0.007075284	-0.24420816	0.097664945	0.018832542	-0.33982736	0.3993345	0.1038503	-0.23979804	0.099000014	-0.13918675	0.013509158	-0.48768038	-0.12199589	0.46949592	-0.113745	0.9999925	-0.52954274	-0.24901864	-0.11269588	-0.2757673	-0.53491914	0.537895	-0.2828151	0.10676204	-0.3951363	0.0798918	-0.28021404	-0.60110253	0.5129087	-0.51725596	0.14579171	0.91553766	0.32615128	-0.65239185	-0.21982686	-0.6249782	0.023771843	0.07189073	0.12814036	0.2422336	0.3537298	-0.33893305	-0.99966496	-0.030164568	0.43661493	-0.37844703	0.12423878	-0.7706143	0.14680423	-0.060345057	-0.42058927	-0.34636635	0.33999133	0.31637308	-0.4506295	-0.34017769	-0.06858644	0.5187947	0.45908386	-0.84563476	0.40879884	-0.72089475	-0.40086982	0.46668315	-0.040134538	0.14862022	0.09119358	0.12403366	-0.19418426	0.00816133	-0.4600233	0.16828604	0.99918	-0.20628564	0.58305603	-0.5509371	0.22425927	-0.40668288	-0.8860548	-0.55170274	-0.3768575	0.08395431	0.9993207	0.033315234	0.8264956	0.093874924	-0.21462147	-0.9980378	-0.4737958	0.25183892	-0.23833835	0.2998709	-0.4366792	0.07243744	-0.5692713	-0.4762164	-0.1248001	0.999279	-0.20007958	-0.080116026	-0.31004113	-0.38180557	-0.20364597	0.004695612	-0.2515516	0.799416	-0.22802895	0.5430987	-0.19288583	0.7448133	0.30896842	-0.3226268	-0.007739674	0.6830103	-0.38015482	-0.42220154	0.29795456	0.18597512	-0.7847899	-0.22164705	-0.23280631	0.13428068	-0.04177151	0.05550845	-0.2746466	0.36459312	-0.68256295	-0.5393707	0.32277104	-0.67946625	-0.17099401	0.39580837	-0.19931807	0.63631546	0.044322092	-0.043337483	0.34724614	-0.14395393	-0.012234872	0.39787382	0.9772002	-0.9925982	0.25988472	-0.15211093	0.4019095	0.023592968	-0.049631476	0.49553022	0.98889136	-0.19485079	0.10653416	-0.0571166	0.63626885	-0.27007496	-0.1711758	-0.27981168	0.29141662	0.2782612	-0.28772616	0.3413973	-0.30333492	0.32805562	0.30114034	-0.11647831	0.9521045	-0.18333192	1	0.16033614	-0.4099519	0.40451005	-0.34045208	-0.88283116	0.43276942	0.33767366	0.20267448	0.5303676	-0.25830942	0.316969	0.22388336	0.35628548	-0.036304664	-0.33504814	0.325024	-0.5418455	-0.44382283	-0.47526193	-0.5860523	0.22853015	0.85199404	0.64445055	0.49881786	-0.90974426	-0.064813405	-0.34360486	-0.7163264	-0.2542809	0.49067268	-0.5326133	-0.55127615	-0.60083115	-0.46908793	0.23418604	0.86123955	-0.36082232	-0.11019095	0.59362316	-0.1381093	0.9561397	0.51292354	-0.8963611	-0.26900092	0.9923453	-0.19495699	0.08919142	-0.9622245	0.40238532	0.64188963	-0.098547384	0.08092271	-0.39366576	0.2906802	-0.38954315	0.75768024	-0.18787172	-0.15224944	-0.3734968	-0.57856023	-0.0324182	-0.18601665	-0.99982464	-1.0000001	-0.9963512	-0.68146217	0.14111869	0.69708467	0.54459417	-0.70017755	-0.42053708	0.52318096	0.12031467	-0.11873184	-0.039821394	-0.12236277	0.40554076	-0.09605254	-0.05355893	0.08119614	-0.32720464	-0.99509126	-0.99985945	-0.2948261	-0.7153217	0.34406218	0.0325703	0.060121913	-0.92906797	-0.12734678	-0.56205064	-0.12312603	0.097929545	-0.22262952	0.31952506	-0.8895251	0.32890514	0.8835658	0.04878099	0.69746524	0.17966068	-0.889885	0.3092426	0.49538368	-0.3568952	0.7934706	-0.43440753	-0.028597742	-0.3874266	0.30915186	0.43913624	-0.13054204	0.14702328	0.16825958	-0.46877953	-0.17085212	-0.27863476	-0.9851057	0.5636435	-0.060117904	0.49973544	0.16000555	0.7243654	0.999788	-0.36604813	0.27426764	-0.35305977	0.19883588	0.43333596	0.38796407	0.84357464	0.031669952	-0.5227624	-0.42332703	0.88845783	-0.03504822
75	1	Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	-0.24623394	-0.2356667	-0.006706134	-0.4070292	-0.6104398	-0.19721349	-0.71136737	0.22239532	0.49302536	0.43550593	0.24549784	0.28406712	-0.17793809	0.40251985	-0.48453608	-0.110045835	-0.4434582	-0.1199098	-0.60551816	0.65254205	0.8251761	-0.37463158	0.13385305	0.63947475	-0.41939053	-0.14642243	0.25519374	0.35721874	-0.3929553	-0.46442154	-0.1192388	0.34003466	-0.48806107	0.33131093	0.38961554	-0.42279807	0.5338981	0.62806714	0.8704128	-0.31130716	-0.99237424	-0.15420301	0.27861735	-0.30563593	-0.443692	-0.98936	0.35072985	0.4949548	0.9611841	-0.58079535	0.15367492	-0.02622909	-0.64594686	0.412758	-0.82522196	0.17544653	-0.80000544	0.67185	-0.15458623	0.3432638	-0.28182673	0.046149123	-0.2353396	-0.4553269	0.061354224	0.75081366	0.627126	0.4213609	-0.12910849	0.43510103	0.22991636	-0.99693024	0.32686383	-0.2133314	-0.41521206	0.6041622	0.1795955	-0.22963789	0.20150101	-0.99906355	0.026185058	-0.3899741	-0.94098693	-0.34568274	-0.22250833	0.65229774	0.2571612	0.35315138	-0.81650466	-0.15185787	-0.4570672	0.07263306	-0.29782104	-0.2551764	0.99875236	-0.5384681	-0.39119548	-0.33760858	0.46901646	-0.17193487	0.47583732	-0.19360384	0.51837814	-0.7427655	0.12476835	-0.8649759	-0.23390624	-0.39460668	-0.89606935	0.3818063	-0.15170293	-0.6029477	-0.5264039	-0.42230043	0.31011042	-0.40856147	0.20420705	-0.35958147	0.9997524	-0.77611476	-0.0889353	-0.4511643	-0.10330034	-0.73943216	-0.5398385	-0.47749582	-0.17204504	-0.11124534	-0.08729023	0.98095375	-0.23788394	0.35616174	-0.3183748	0.29026514	0.01003535	-0.44252324	0.72929466	-0.2829079	-0.7363066	-0.46475247	-0.99855864	0.6361451	0.46427596	0.043509826	0.041116055	0.105064735	0.42308894	-0.4111573	0.9358148	0.2590124	-0.09353933	-0.31419423	-0.71778435	0.14694318	-0.3349885	-0.5258245	0.012682203	0.9922273	-0.6565048	-0.9139792	-0.99194604	-0.5691357	-0.056266237	-0.3065863	-0.1060903	0.5451925	0.16168138	0.394973	-0.20017283	0.5856146	-0.6784843	-0.21867889	-0.29167718	-0.70645	0.6357301	-0.92153054	-0.89451355	-0.12583764	-0.0924227	-0.013801223	0.68775886	-0.99964285	-0.55173683	-0.38924664	-0.331536	-0.23131488	-0.37097558	0.39608377	-0.6769307	-0.61304665	0.878865	0.6957181	0.4422699	-0.15741791	-0.4179335	-0.106166266	0.31209645	0.9780638	-0.5346307	0.41486937	-0.24261568	0.27781737	-0.07717823	-0.18934926	-0.63218284	-0.60198003	0.6618422	0.59556645	0.020410588	-0.98400736	-0.061391227	-0.21018538	-0.0586635	-0.355629	0.41439006	0.35284132	0.6624303	0.32313132	-0.417831	-0.30480298	-0.09601408	-0.40760684	0.33997792	0.3883634	0.98840344	-0.076174505	-0.42661056	0.69017285	0.3461846	-0.59765106	0.25414774	0.22972786	0.44812208	-0.3540178	-0.7478422	0.13774711	-0.14771044	0.11889527	0.49154335	0.16448663	-0.005556552	0.466926	0.66627514	-0.3530714	0.5708173	-0.24257803	0.050944205	0.56646407	-0.22233272	-0.42260742	-0.23276882	-0.9989429	-0.07686799	-0.07247615	0.0349594	-0.38793927	0.041807458	-0.14584106	0.37693164	0.021498809	-0.7913923	0.6411951	0.28845808	0.30115935	0.57598734	0.09611929	0.06861939	0.5348724	0.3371015	-0.005382765	0.26647052	0.3596452	0.5127988	0.1264673	0.060845375	0.49503675	-0.09775639	0.21994309	-0.22321032	0.33559406	0.38773298	0.99941826	-0.65274614	0.47189745	-0.34373102	0.36239275	-0.09691493	-0.36845765	0.049357552	-0.22613813	0.29748783	0.9989463	0.3434879	0.92872477	0.020328203	-0.19131178	0.99935895	-0.22648624	-0.61784947	0.3299777	0.4227354	0.80198365	-0.78691083	0.49139595	0.023436813	-0.474308	0.9638699	0.11009488	-0.4392981	0.2164603	0.35145542	-0.05724954	0.5664829	-0.41532865	-0.9703717	0.197183	0.64389414	0.31073257	-0.9945748	0.3416219	0.23939213	-0.008134262	0.32415748	-0.8120451	-0.07115778	-0.25475058	0.5471298	-0.7722883	-0.53145146	-0.44625488	0.49406797	-0.34741613	-0.33886132	-0.26708454	-0.27961612	-0.8845934	0.01233814	0.22723968	-0.45748842	0.36995706	0.5543738	0.09627169	-0.7365134	-0.09401407	0.35276833	0.3274723	0.40412796	-0.7211505	0.30563056	0.75946	-0.986554	0.47937885	-0.5075205	-0.35899997	-0.0852601	0.5075198	0.29607838	0.99940646	0.21320592	0.61414874	0.5424605	0.33274585	0.41933984	-0.34379065	-0.10041765	0.35831857	-0.08148464	0.111727476	-0.22837336	0.2468176	0.19123058	0.099623136	0.7258884	0.7658402	-0.18835448	1	-0.32743102	-0.45045903	-0.33626407	-0.109861165	-0.83516973	-0.029516065	-0.5600365	-0.8188829	0.39393803	-0.26617593	-0.32382527	-0.58942896	-0.47328553	0.8510922	0.48073328	-0.36555594	0.2150687	0.22760007	-0.33340326	-0.79173756	0.65096724	0.76091665	0.91948617	0.8309807	0.8722642	-0.48979375	-0.36013365	-0.67231387	0.21766356	0.051217563	0.25822732	0.9978811	-0.12914875	-0.5448165	0.62333727	0.3927654	-0.23464128	0.44176915	0.5985027	0.12999725	0.99999	-0.2040905	-0.99041426	0.3591565	0.9987084	-0.20098056	0.13349834	-0.99899876	-0.83537006	0.46567604	0.7027198	0.21357241	-0.60400313	-0.27959853	-0.47955158	0.6315687	0.34267613	-0.7765719	-0.17864676	-0.092671126	0.13878305	-0.25236002	-0.99997103	-0.99932444	-0.9940958	0.31156397	0.013039588	0.80647147	-0.22847563	-0.47083455	-0.86026424	-0.41962957	-0.2797816	0.3054551	-0.8920848	0.18211718	0.29007426	-0.21577251	0.08530372	0.005907713	0.067212015	-0.96617717	-0.9999765	-0.058974374	0.34601787	-0.5734068	-0.32624772	-0.09497787	0.6302086	0.8587408	-0.63578707	-0.6247391	0.2037225	0.08150122	-0.5350078	0.962971	0.5218907	0.4296114	-0.53212166	0.21352747	-0.015229782	0.38413697	-0.095990814	-0.07115724	-0.035587672	0.9332963	-0.41458488	-0.48716816	-0.62400335	0.12080171	-0.26719344	-0.26511157	-0.4246226	0.7792773	-0.6132009	0.57101166	0.6885998	-0.21537589	0.14894627	-0.2649598	-0.73284024	0.76982766	-0.6768604	0.9984872	0.59492296	0.005507174	-0.77202314	0.15064183	-0.23597895	-0.4511254	-0.51607305	-0.22291526	-0.7240874	-0.21809286	0.7689176	-0.32929096
76	0	Oc1ccc2ccccc2c1	-0.6373572	0.0750174	0.24319	0.661753	0.17969166	0.015691051	-0.32515448	-0.068918355	0.2169591	-0.08075554	-0.6937562	-0.19671726	0.30693567	-0.5673104	0.0202422	0.77144647	-0.2704811	-0.083356984	0.28857508	0.009445933	0.41160816	-0.85534424	0.15661694	0.46504706	0.006262951	0.29050982	0.4317259	0.4521325	0.47354436	-0.30768183	-0.05406914	0.41144192	0.004816318	0.24390739	-0.21604212	-0.17633426	-0.02146531	0.62251294	-0.3010289	-0.963381	-0.9956513	-0.048337124	-0.17963538	-0.4152403	0.5140008	-0.99643755	0.01456529	0.08355638	0.98697424	-0.3830707	0.27166787	0.15574446	0.24596652	0.041806124	-0.9749444	-0.02585676	-0.56934685	0.9638058	0.09214336	0.26360172	-0.42495206	-0.25804114	0.8108359	-0.20369393	0.2960697	-0.001994734	0.19974943	0.7380095	-0.049944412	0.2329246	0.9397095	-0.9674499	0.39673424	-0.4638677	0.60684544	0.2496429	0.047967345	0.041688602	0.11619761	-0.99299616	-0.7735471	0.21657933	-0.69818926	-0.43119717	-0.027900869	0.05433933	0.11742608	-0.21382332	0.13184102	-0.19758551	0.2505038	-0.38624558	0.18462715	-0.117717534	-0.1901349	0.034221016	0.055543564	-0.17622754	0.010459801	0.02655767	0.32466763	-0.25041848	0.07594614	-0.66829944	0.9681341	0.37250572	0.21541534	0.27509367	-0.8107429	0.16276382	-0.36349183	0.04879057	0.21491995	-0.23641466	-0.14373493	0.6154698	0.2793866	0.18913424	0.99860716	-0.20406292	0.0581761	-0.35117924	-0.092602305	0.2258144	-0.31499913	0.38344482	-0.49845466	0.2369318	-0.13268073	0.9996812	-0.33439496	0.06268542	0.24163608	-0.6036181	0.087841876	0.023633633	0.74556386	0.56378305	-0.5205006	0.0878029	-0.99914473	0.14431089	0.9958925	0.33389175	0.57040775	0.2570017	0.28965127	-0.32701126	0.99520826	-0.10885812	-0.07037982	-0.51542807	0.089659266	0.3379614	0.2937756	-0.2979427	-0.29598597	0.9989657	0.11851191	-0.56638825	-0.9939401	-0.01193489	-0.13306797	-0.015808146	0.26275676	0.22907406	-0.3213762	0.113371305	-0.10315208	0.13204987	-0.7930064	-0.4611656	0.65366375	-0.42653286	-0.14098845	-0.9695153	-0.77029413	0.033863768	-0.63637966	0.07179639	0.63238394	0.5270493	0.4169472	0.5164113	-0.9467093	-0.47684306	0.51034707	0.17911352	-0.38680193	0.1261838	0.8018414	0.3601161	0.016376054	0.34248158	-0.057830445	0.007402053	0.09129051	-0.51725024	0.56932616	-0.4032992	-0.17780343	0.45504895	-0.52834934	0.46437368	0.53445685	0.09459089	0.11879173	-0.11527757	-0.15325539	-0.7716414	-0.28195298	-0.2662743	-0.04679567	-0.24506696	-0.08542891	-0.24713364	-0.14555714	0.23982681	-0.2306905	0.49596867	-0.56229556	0.13690877	-0.4636934	0.08774737	0.9913442	0.17724243	-0.09980111	0.29343638	0.22494523	0.052401256	-0.2358629	-0.4046305	0.7455749	-0.6502298	-0.19023399	-0.5822084	-0.68309647	-0.11936038	-0.43181524	0.040298827	0.9367207	-0.3649516	-0.049425863	-0.5447748	0.7358867	0.002950101	0.31627837	0.3738618	-0.41046718	0.029688219	-0.3502002	-0.94686544	-0.45849094	0.47479343	0.058517143	-0.19064584	-0.020105993	0.40839702	0.40495843	0.2532733	-0.51585746	0.22173159	0.17360261	-0.5486591	0.44502252	0.15477192	0.388281	-0.24017985	-0.49173447	0.64410436	0.13797863	-0.9188782	0.42722604	-0.074025765	0.06970839	0.923627	0.37408018	0.46651387	-0.011655366	0.47303933	-0.06725152	0.99947685	-0.15360121	0.80778193	-0.15176551	0.20198087	-0.375004	-0.504737	0.5919529	0.027202453	0.43012065	0.9993101	0.31660616	0.71493673	-0.30653268	0.57216567	0.99984217	-0.96790147	0.27890897	-0.04061666	-0.34618637	0.04605267	-0.35567412	0.006707199	0.31731263	-0.8315259	0.9980813	0.4344529	-0.61940145	-0.44151866	-0.31391427	-0.013332981	0.32213834	0.27341998	0.9195414	-0.17858449	0.24961159	-0.11897616	-0.978304	-0.25409225	0.17480981	0.41662648	0.42123464	-0.35336316	-0.62384546	-0.47148383	0.47063598	-0.9480713	-0.23739156	0.5628775	0.10741727	-0.3822513	0.17757864	-0.6392334	0.05730573	0.5042192	-0.31048203	-0.3157345	-0.45175886	-0.016023705	0.48483795	-0.15995315	0.237109	0.7205838	-0.07188728	0.5055323	-0.0898854	-0.08245798	-0.21777736	0.93353987	-0.9970133	0.19498202	-0.54096997	0.507659	0.20961437	0.065889284	0.27580598	0.9873227	-0.13508141	-0.02844724	0.21778637	-0.05880992	0.27728224	-0.034916356	-0.901033	0.005531376	-0.10950596	-0.8424248	-0.10828186	0.1414847	0.18383294	-0.15748045	0.68282884	0.97927916	-0.36701974	0.9976006	-0.11020866	-0.12612255	-0.29441705	-0.10133607	-0.93410003	0.14608142	-0.008666789	-0.7462922	-0.36468774	-0.12612751	0.16086979	0.013740715	0.39977044	0.8213236	-0.02214458	0.20471978	-0.45551035	0.45244542	-0.4641371	0.25305074	0.18761005	0.5132862	0.8603037	0.1632551	-0.97529364	0.25412893	-0.07701772	-0.01590654	-0.17133553	-0.7008452	-0.43795374	-0.31453604	-0.23851795	0.05177656	0.58447564	0.4076213	0.018280013	-0.19513096	0.30501112	-0.16963093	0.9999387	0.10947936	-0.9871908	0.09596212	0.999083	-0.26432428	-0.26921055	-0.9971534	-0.010968911	0.7187617	0.7387861	0.18943417	-0.64199185	0.30482635	-0.13695742	0.30145365	-0.58355844	-0.44375566	-0.16469347	-0.064922675	0.09112684	-0.3125762	-0.99994874	0.98908466	-0.993961	-0.0774397	-0.021212783	0.12486914	-0.03957832	-0.4093351	-0.7792424	0.5705	-0.3385079	-0.69348234	-0.89355767	-0.64821464	0.32447386	-0.25328696	0.2702077	0.27549526	-0.36884376	-0.9917883	-0.9998992	-0.729201	0.20359117	-0.15775125	-0.10743596	-0.07276155	-0.995371	-0.34411076	-0.67134964	-0.042928174	0.026316205	-0.055259366	-0.074745275	0.9767656	0.5170386	0.7416749	0.046403863	0.70296264	-0.12457578	-0.8081829	-0.5682643	0.50135213	-0.5270375	-0.09579504	-0.37712708	-0.36222014	-0.25148943	0.041409068	0.188415	-0.3679294	0.38123727	0.7171191	-0.17689802	0.14548242	0.2895859	-0.90882874	0.21647352	-0.23700693	0.15956363	0.042199172	0.34220898	0.99692416	0.30230483	-0.19932225	0.037129637	-0.06548311	-0.2136924	0.109588236	0.8311845	-0.027472053	0.24164769	-0.20178328	0.6373596	0.39129925
77	0	Nc1ccc2ccccc2c1	-0.72971725	0.07920898	0.45451483	0.3515703	0.09531266	-0.120035574	-0.22014128	0.13736533	0.36946735	0.011097727	-0.72019064	-0.26743877	0.42893538	-0.57847786	-0.00961615	0.7228052	0.015600419	-0.12613043	0.12232532	-0.16171071	0.55469304	-0.86300504	0.29000476	0.4329685	0.11239988	0.1554244	0.43166843	0.5281397	0.28125033	-0.28552222	0.16052227	0.2749046	0.11652074	0.023019375	-0.13502516	-0.32159957	-0.19760782	0.6822078	-0.27134922	-0.96314013	-0.9917989	-0.32437629	-0.44287342	-0.5083241	0.29898337	-0.9967148	0.14647609	0.24366717	0.9584554	-0.5396326	0.062180225	0.31847245	0.2627726	-0.0659068	-0.9771804	-0.16702454	-0.57159376	0.96206814	0.19639482	0.087611765	-0.3213588	-0.08628895	0.76667255	-0.15224569	0.59287876	0.14068323	0.24471545	0.69065803	0.21555568	0.15196812	0.85132164	-0.9743702	0.3268241	-0.5474416	0.43085188	0.24248521	-0.045195118	-0.18309091	0.23085812	-0.98255277	-0.5148255	0.2850922	-0.7825252	-0.38014007	-0.02227441	0.05921653	0.17289186	-0.1889126	0.10385129	-0.04991946	0.2722096	-0.50143707	0.20687257	-0.057410542	-0.13440992	-0.18931842	-0.055541724	-0.12871468	0.19657494	-0.13682933	0.2570341	-0.5639135	-0.120309375	-0.7144663	0.9704982	0.25153843	0.028254185	0.110381804	-0.7998062	-0.000188757	-0.3484826	0.14098872	0.23179977	-0.099474035	-0.43964162	0.26315096	0.19152416	0.30713925	0.9987166	-0.3563777	0.12778154	-0.49052832	-0.11692238	0.003625775	-0.007216208	0.15558477	-0.64184207	0.2975969	0.052005455	0.99968725	-0.3750726	0.13305555	0.21736935	-0.36043897	0.21131001	0.09868724	0.7345524	0.5600568	-0.47573698	0.035190117	-0.9990225	0.24632818	0.99479544	0.26131684	0.51103663	0.5873701	0.23226342	-0.43329942	0.9967537	-0.13164869	-0.21275975	-0.39799547	-0.11248697	0.0778765	0.16827077	-0.17545466	-0.35937554	0.999112	0.25492522	-0.37295485	-0.9939716	0.0684742	-0.111386515	0.01200015	0.037847288	0.13842334	0.013843213	-0.12651306	-0.12025727	0.11770078	-0.7885405	-0.25742233	0.56402194	-0.5235347	-0.13936095	-0.9610134	-0.77193457	-0.07702182	-0.535139	-0.017980726	0.68160206	0.2296178	0.48689884	0.5223017	-0.94362855	-0.5686416	0.67884773	-0.19329523	-0.24432793	0.2084719	0.7883317	0.23926093	0.00719323	0.31082937	-0.05015504	0.2601666	0.035478372	-0.45630196	0.5286678	-0.6127026	0.025812857	0.20491435	-0.6094429	0.4756026	0.58616686	-0.1452252	-0.21499081	-0.1371482	0.045811206	-0.801344	0.11348788	-0.3270232	-0.10305337	-0.48135656	-0.04921234	-0.09592807	0.038866587	0.049683444	-0.039711535	0.45401165	-0.214524	-0.03170126	-0.5477879	0.13136439	0.98551595	0.1596836	0.026959678	0.009610505	0.42057315	-0.12662904	-0.19200045	-0.3707886	0.67464894	-0.5570876	-0.07087452	-0.6214688	-0.7728149	0.08764216	-0.28459832	0.07162328	0.9222555	-0.36399022	0.25577265	-0.18920235	0.739792	-0.20343797	0.040721897	0.30410135	-0.32577914	0.12224411	-0.31402788	-0.94911855	-0.31661284	0.45038393	-0.093185045	0.14667135	0.10974164	0.40822926	0.33698756	0.12769307	-0.59954137	0.20382568	-0.27752233	-0.5686472	0.57831687	0.25463846	0.3672125	-0.49921408	-0.94800985	0.6774392	0.1946925	-0.9282103	0.32330534	0.1456936	0.055326477	0.9187407	0.31615043	0.50557846	0.030738711	0.59451085	0.004891462	0.9995197	-0.037544154	0.7858618	0.042139556	0.29769966	-0.4760416	-0.3739226	0.51884323	-0.026702316	0.52564883	0.9993601	0.2466565	0.74707633	-0.27685827	0.5535559	0.99983656	-0.96572155	0.24937682	-0.13182388	-0.5733419	0.2219287	-0.53010553	-0.14963117	0.54204774	-0.78675526	0.99818474	0.37350747	-0.59967023	-0.33210522	-0.44371417	0.10801931	0.13507317	-0.19301932	0.89946	-0.030170994	0.20723456	-0.17087422	-0.98908186	-0.33425894	0.3190371	0.5112513	-0.016383816	-0.19305187	-0.50513166	-0.5402522	0.65483785	-0.9397457	-0.18989648	0.5745113	0.08452335	-0.31372297	0.06967148	-0.49766645	0.1624679	0.49713916	-0.34578365	-0.3385518	-0.4631914	0.041847676	0.42844614	-0.33192682	-0.09318911	0.6971708	-0.30295923	0.6473995	0.14021333	0.11464351	-0.14911804	0.9296833	-0.9971628	0.2848518	-0.41702896	0.5892457	0.16222908	0.19928673	0.03154172	0.98296565	0.004628853	-0.25551733	0.048795033	-0.048577443	0.45623353	-0.100280635	-0.8649714	0.23762576	-0.28190896	-0.8664754	-0.27213436	0.3439381	0.11414086	-0.3159745	0.67343634	0.97245836	-0.16206458	0.9976349	-0.26073104	-0.10564405	-0.18783131	-0.048826028	-0.9123319	0.026619341	-0.17775753	-0.73551816	-0.24703628	-0.1274965	-0.1963474	-0.06524722	0.33359006	0.8306825	-0.08201277	-0.18475167	-0.09146325	0.48431486	-0.5399339	0.25840953	0.26569209	0.41011533	0.87517923	0.26197022	-0.97130454	0.26343918	-0.045213345	0.27039212	-0.18901661	-0.72268754	-0.46894905	-0.41908592	-0.25889152	-0.04387832	0.796133	0.44246814	-0.089900546	0.055300895	0.24144447	0.14736919	0.9999799	0.2624357	-0.98353386	0.18413177	0.9988812	-0.20634034	-0.38570163	-0.9982383	-0.05202049	0.69792	0.7626589	0.13707966	-0.72602344	0.1365812	-0.3543862	0.42965108	-0.3965488	-0.51222	-0.2023119	-0.14280365	0.1774791	-0.32365248	-0.9999538	0.9890591	-0.99517965	-0.031193076	-0.20454396	-0.123400785	-0.21021669	-0.2601188	-0.72496307	0.621016	-0.29612052	-0.67025304	-0.86260855	-0.46341193	0.50589716	-0.3916393	0.35230795	0.29207227	-0.33033168	-0.98898077	-0.99989784	-0.68802893	0.10678999	-0.115801975	-0.5505436	0.09999647	-0.991518	-0.3448968	-0.1974772	-0.07537621	0.00059317	0.21733034	0.042293992	0.9807182	0.42483044	0.76203275	0.14467104	0.4753466	0.11788025	-0.7517278	-0.56224644	0.6273061	-0.46877232	-0.033630718	-0.09483092	-0.0275002	-0.020188838	-0.25488806	0.048406705	-0.23955573	0.42987314	0.69914263	0.16291833	0.36547345	0.4923979	-0.9088009	0.26969558	-0.47680596	0.2593132	-0.35661873	0.25708792	0.9974123	0.23359127	-0.06777309	0.19135964	0.1400919	-0.28024176	0.075660676	0.83027196	-0.1414251	-0.24971913	0.010545963	0.41158628	0.5865995
78	0	O=C1OC(=O)C2C3C=CC(C3)C12	0.9652102	-0.48856086	-0.33926782	-0.004737953	0.4881467	-0.27676603	-0.053168785	0.089663096	-0.26782677	-0.44012755	0.77501726	0.150032	-0.4230689	0.3260217	-0.011552502	0.7692161	0.3327141	-0.008704921	0.009393796	-0.26830554	0.13007253	-0.76944345	-0.062297132	-0.30861333	-0.3789408	0.14189292	-0.03051357	0.33940923	-0.1690808	0.6089601	0.4803231	0.23356694	-0.4310463	-0.3534243	0.59572667	-0.4503616	-0.1481223	-0.61857706	0.78234154	-0.49424705	-0.98080367	0.049802788	-0.24956879	0.50465447	-0.40361327	-0.99090147	0.8439552	-0.58190346	0.9948403	-0.71532506	-0.3359726	0.044549096	-0.5927394	0.27400455	-0.8660084	0.47761285	-0.09462911	0.79483634	-0.28417397	0.48252916	-0.16395485	-0.4028266	0.32406485	0.20038728	0.31510746	-0.034236945	0.29704493	-0.04695844	0.035076782	-0.42837438	0.9217639	-0.99791163	0.046130374	0.88846594	-0.58315545	0.40026554	-0.51914114	0.27659208	0.28161547	-0.99976534	-0.4928562	-0.119674034	0.042108323	-0.4905066	-0.24153598	0.88858485	0.60416555	-0.8807127	0.10246994	0.60306996	-0.37334955	-0.32460433	0.30298617	0.042899784	0.9909144	0.07402073	-0.6066543	0.14920326	-0.3158512	0.40014172	0.002718957	-0.39820912	-0.0665664	0.20744173	0.34351042	-0.50629824	0.24488728	0.55644506	0.9904202	0.15296017	-0.5383079	-0.17278199	0.7662187	-0.13059463	-0.27166602	-0.14764643	0.22766452	0.09632899	0.99972403	-0.33347666	0.42977157	-0.27845386	-0.16871394	0.43006426	0.008555895	-0.60549325	-0.07150747	0.52000964	0.06501659	0.96902776	0.29200932	-0.43634248	-0.34127071	0.592629	0.26006547	-0.8529291	0.06806627	-0.2955837	0.6910293	-0.33542514	-0.9999432	0.13875848	0.8979877	0.418021	0.76977533	0.05352615	-0.36797616	-0.26302683	0.9003503	-0.34651592	-0.50624406	-0.91732067	-0.0821629	-0.41224915	-0.5059208	-0.105343625	-0.09597619	0.99662876	0.43818766	-0.9156339	-0.9915974	0.26685598	-0.1430639	-0.67638475	0.09503069	-0.28710115	0.17198043	-0.045057736	-0.31426042	0.17455009	-0.68409747	0.13572747	0.69990706	-0.26120675	0.027455887	-0.93208146	0.7789314	0.17208277	0.55633795	0.109522566	0.29350263	-0.97688943	-0.20599863	-0.10234731	-0.49503475	-0.461298	0.4012604	0.8475991	0.078672774	0.44980526	0.5414867	-0.6165329	0.38396424	-0.64050245	0.26873496	-0.3808304	-0.50107443	-0.8201575	0.3475051	-0.37861684	0.33902466	-0.36653087	0.004485674	-0.34164447	0.16360247	-0.05652269	0.08571753	0.14303827	0.018397275	-0.99710506	-0.5698996	-0.31096599	0.7310844	-0.40862587	-0.3277414	0.1468634	0.056284335	-0.6220902	-0.011290222	-0.08562774	-0.3682775	0.11890941	0.2222786	0.42516848	-0.98349595	0.364374	-0.45935795	0.1692486	0.14545341	0.5521024	-0.54169524	-0.55033004	0.17904435	-0.52947766	-0.78727275	0.0286608	0.16010833	0.6381029	-0.02390003	0.16700852	0.80398303	0.46455473	0.20003681	-0.1981224	-0.6112919	0.075935386	-0.12493552	0.54803854	-0.4000382	-0.4503092	0.23768283	-0.75454426	0.51218045	0.09534212	-0.018161912	-0.07617828	-0.13842909	0.49110702	-0.46146348	0.4329711	-0.3122725	-0.45978305	0.47359338	-0.5816698	0.08575554	0.077877365	-0.5811327	0.35471418	0.8642507	0.48262846	-0.41163534	0.9447143	0.48040137	-0.8058084	0.22056131	0.7431283	0.00754155	-0.1949633	0.5099809	0.43886665	0.05962504	0.9997762	-0.06144473	0.26279324	0.1589339	-0.37430754	-0.55794513	0.25947437	0.618349	-0.3370437	0.08660549	0.9995622	-0.2783132	0.29335737	-0.59251404	0.48076996	0.99999523	-0.53703874	0.35217798	-0.6612172	-0.22188807	0.6025757	0.7671361	0.48044628	-0.735543	-0.5062364	0.9798993	-0.3613233	-0.291051	0.000859888	-0.14530404	0.062152386	0.23356768	-0.08878781	-0.20971657	-0.28179145	-0.42211628	0.0741254	-0.9999323	-0.3088558	0.27642286	0.34030566	0.59795403	-0.28395402	0.54402244	0.38223106	-0.738419	-0.5300679	0.24350445	-0.15103815	0.15644589	-0.66942084	-0.40722317	0.33823192	-0.82194644	-0.8506807	0.22532798	-0.41081595	-0.40827397	-0.28349656	0.37122905	0.34209055	-0.09440563	0.58377767	0.122210465	-0.5040608	-0.24021302	0.39239702	-0.46317875	0.79146594	-0.991954	0.62443763	0.43903077	0.40080518	0.46670967	0.08374164	0.29508242	0.99968034	0.48786	0.81089556	0.52198553	0.00394096	0.8361718	0.495691	0.13642249	-0.10935528	0.5185235	0.9147263	-0.116850995	0.42852443	-0.25065893	-0.62434876	0.5167607	0.8447887	0.67075795	-0.97753114	-0.12513658	0.40854937	0.75358313	-0.21121718	-0.93540794	-0.6302462	0.09022413	-0.5973174	-0.35209668	-0.5625643	-0.58110917	0.19040526	0.55919087	-0.7592788	-0.2875763	0.010473546	-0.2941489	-0.52576387	-0.66561043	-0.17939468	0.57375014	0.39563397	0.83681494	0.094537325	0.03821203	0.41158247	0.16160896	0.3403715	-0.22575033	0.2753283	0.2306659	-0.24007438	-0.494912	-0.31982645	0.18707858	-0.45443502	-0.029257761	-0.06440185	-0.130827	0.22538584	0.9999995	0.011139523	-0.8805991	0.30682448	0.9996481	-0.16368969	-0.005438223	-0.9997524	-0.51562726	0.12950423	0.4601061	-0.46922374	-0.5583361	0.22695586	0.14085664	0.7656795	0.26739186	-0.089892276	0.20203526	-0.4102626	0.015454022	0.32189086	-0.9999944	0.9999973	-0.99346995	0.37890798	-0.1891761	0.8470017	-0.06517719	-0.092631444	-0.7998869	0.17024978	-0.5500276	0.11564711	0.18724851	-0.60023075	0.009528305	-0.27602154	-0.12908511	0.34411567	-0.00252209	-0.9875921	-0.99998295	-0.2891164	-0.27077723	-0.31185433	-0.25756466	-0.5281856	-0.5051726	-0.4158654	0.38424248	0.71514034	-0.3932916	-0.023260467	-0.040777728	-0.3830614	0.31668505	0.8970306	-0.35513493	-0.13892463	-0.111885674	0.54950523	-0.29579815	0.07672857	-0.56650734	0.5756766	-0.9676466	-0.11805697	-0.27334517	-0.12785566	-0.41131067	-0.11362774	0.16919765	-0.8144246	-0.29508442	-0.32352746	-0.29887167	-0.3344432	0.19850917	-0.47650576	-0.57191795	0.526094	-0.1702426	0.99981093	-0.15124701	-0.13310659	-0.3811417	-0.66073024	-0.40740967	-0.28882754	-0.79497236	-0.122879304	-0.062623374	-0.03834392	0.45925817	0.14366704
79	0	Oc1ccccc1-c1ccccc1	-0.7192363	-0.024604905	-0.010819795	0.63374823	0.2261093	-0.020232212	-0.6609729	-0.24245249	0.23097008	0.046602994	-0.7493032	-0.13279125	0.28553957	-0.623186	-0.25491607	0.7677458	-0.08919698	0.5280296	-0.039639022	0.16518582	0.26876792	-0.8885958	0.119153194	0.36051664	0.25592342	0.4198227	0.35142782	0.36781478	0.41641185	-0.19891442	-0.17520544	0.1596779	-0.3758079	-0.055891853	-0.35215375	-0.13147026	0.17000334	0.6436099	0.34584945	-0.9668824	-0.9941629	-0.23120776	-0.20263532	-0.3530183	0.5317157	-0.99538255	-0.1520329	-0.019347271	0.959787	-0.25837612	0.26249593	0.1009742	0.24034813	0.111066	-0.9633247	-0.03634361	-0.60804707	0.9525169	0.04661654	0.3564986	-0.07091759	0.10630684	0.5006419	-0.5743446	-0.042838465	0.2725754	-0.123049065	0.6153989	-0.18726897	0.4380032	0.89121383	-0.9357358	0.40725958	-0.22887896	0.6884377	-0.06415758	0.11240408	0.13369215	0.16742265	-0.9933316	-0.67548025	0.2751593	-0.6901536	-0.45303547	0.039664097	-0.49841174	-0.41472813	-0.46311775	-0.4259392	-0.08781856	0.20393379	0.21176209	0.144957	-0.04585493	-0.17519055	-0.01891621	0.5591889	-0.34803876	0.42764416	-0.29320893	0.26450297	-0.27545726	0.096729465	0.47678167	0.85331285	0.49145913	-0.11950714	0.43743423	-0.6219558	0.20426822	-0.52421427	-0.001712189	0.3167442	0.23790552	-0.06994629	0.7040355	0.63090086	0.42481518	0.9987021	-0.19272064	-0.21997154	-0.443683	0.023433505	0.29714882	-0.33091217	0.07128742	-0.10152913	0.09246552	-0.123957634	0.9998097	-0.055246532	0.108212315	0.20101501	-0.30789542	-0.1726991	-0.38067898	0.5108345	0.7622514	-0.66270447	-0.007466824	-0.99988794	0.03065718	0.9949456	0.27040854	0.45178688	0.16378224	0.42094493	-0.054555915	0.9869543	-0.062351167	-0.35614577	-0.48873484	0.19912046	0.45560735	-0.19255494	-0.2743235	-0.29657573	0.99780595	-0.23804547	-0.38697028	-0.9911651	-0.20035653	-0.111798376	0.10022041	0.30240026	0.21773666	-0.186914	0.1489948	-0.42148167	0.35374734	-0.64366794	-0.28189495	0.20181455	-0.103894345	-0.26803523	-0.98187697	-0.750998	0.5260601	-0.54616416	-0.08543827	0.35092205	0.59179187	-0.09608707	0.28741565	-0.93346167	-0.29465994	0.31578052	0.29323027	-0.042923607	0.04296464	0.4745084	0.28700358	0.22280881	0.53336716	-0.015680332	0.18636526	0.3357017	-0.58034164	0.81705624	0.19605444	0.17320012	0.21360184	-0.64484936	0.07256813	0.67040884	-0.036443718	0.64994776	-0.1682857	-0.06836817	-0.97831416	-0.513036	0.42676154	0.50314134	-0.1583897	0.13042505	-0.1424811	-0.3550635	0.056384955	0.29241696	0.38702282	-0.3002965	0.13625309	-0.27004093	-0.47001857	0.9872818	0.09028004	0.15044914	-0.025563903	0.15197362	-0.08851896	-0.2937619	-0.29592	0.5822366	-0.6366304	0.19398221	-0.3993712	-0.48855063	0.014254865	-0.21895508	0.17879282	0.8955557	-0.60572535	-0.43352652	-0.5857277	0.6798412	-0.3882257	0.1089681	0.42178184	0.23875758	-0.13713534	-0.20361757	-0.9576815	-0.50813866	0.50251174	0.39493677	-0.06889072	-0.13814814	0.53687906	0.409135	-0.024309115	-0.2542391	0.38966298	0.28112292	-0.42371216	0.047505744	0.54536164	0.24420747	0.16406126	-0.47241512	0.4309484	-0.23566696	-0.9108778	-0.1761957	-0.008321443	0.51397175	0.9102554	0.18864802	0.04788524	-0.16315714	0.4354039	-0.1507736	0.9995238	-0.080455005	0.68085814	-0.027172534	0.04801661	-0.6747183	-0.065297976	0.7750255	-0.23607281	-0.007411213	0.99924207	0.06410797	0.46532103	-0.41648883	0.4803699	0.9999668	-0.98803574	0.20002559	0.050196696	0.027183617	-0.14591253	-0.2657941	0.36796615	0.22195035	-0.71079314	0.9918267	0.21529543	-0.0670797	-0.29717618	-0.26134098	-0.5788791	0.5077885	0.065317325	0.9480576	-0.5305632	0.35618353	-0.31118625	-0.9822903	0.050831076	0.13896617	0.6672088	0.37680778	-0.6172309	-0.7709187	-0.06824235	0.25021672	-0.9685171	-0.43898398	0.3065915	0.27399313	-0.18883045	0.20654428	-0.4181653	0.24056019	0.6183408	-0.26660347	-0.1760188	-0.37387908	-0.08315739	0.41442478	0.22911285	0.52089834	0.78856015	0.5963582	0.30497417	-0.013006311	0.07541752	-0.5558658	0.90049493	-0.9969508	0.22049859	-0.41809833	0.09111974	0.21205825	-0.17356718	0.16117169	0.99859744	0.08980973	0.05671459	0.053154718	-0.29933384	0.38319248	0.061373618	-0.8816366	-0.032055005	-0.39345518	-0.7849399	-0.38543528	-0.08984926	0.4085059	-0.34826425	0.45855227	0.9579494	-0.3991579	0.9958612	-0.38202038	0.1415415	-0.14533286	-0.24151891	-0.8943575	0.13735405	-0.25042495	-0.74117196	-0.47244996	-0.3955599	0.17845969	0.28318623	0.09570836	0.70996255	-0.10002065	0.15681607	-0.47542983	0.192095	-0.3513332	0.18075609	-0.13983163	0.20292674	0.73409396	-0.018091802	-0.97223544	0.46113116	-0.19566688	-0.0508986	-0.22046031	-0.28311872	-0.19371611	-0.49689767	0.1372945	-0.062456593	0.54399276	0.4493679	-0.09303381	0.044981506	0.26494348	-0.16791497	0.9999508	0.20830174	-0.9859726	0.18248023	0.99927956	-0.5439187	-0.0908128	-0.9979769	-0.23795038	0.6004556	0.5771008	-0.001564095	-0.71766263	0.314885	0.21740882	0.098686956	-0.6010871	-0.45470124	-0.37976992	-0.34785143	0.07377487	-0.40155166	-0.9999441	0.9848074	-0.9885747	0.09068044	-0.051327977	-0.051219564	-0.13148671	-0.6469537	-0.785148	0.5127657	-0.15084207	-0.6797845	-0.824415	-0.5620011	0.21572982	-0.5142406	-0.027824583	0.32405677	-0.11795581	-0.97996885	-0.99991083	-0.5566559	0.007778667	-0.21600142	-0.04419796	-0.016610214	-0.9966536	-0.16293854	-0.6992226	-0.06942422	0.05189375	-0.19087863	-0.27864262	0.93724114	0.54687715	0.8191635	0.50812846	0.56445134	0.23101574	-0.8392918	-0.015530708	0.55721253	-0.21428616	-0.3541742	-0.22788092	-0.21782364	-0.13941385	-0.08193631	-0.20344259	-0.5196493	-0.3078964	0.5694022	0.006357032	-0.23191358	0.22078605	-0.6936834	0.22986415	-0.08999226	-0.08613993	-0.28443852	0.12702847	0.9972934	0.56503373	-0.22805218	0.12236032	0.014069253	0.07762718	-0.17936583	0.25604308	-0.11638148	0.44316238	-0.6077668	0.518686	0.13189292
80	1	Cc1ccc(C(C)(C)C)c(O)c1	-0.71942383	-0.6262256	0.049177743	0.2275194	0.08517082	-0.10750208	-0.5919698	0.06673709	0.08837568	-0.2551156	-0.7856065	0.06810409	0.19126102	0.237019	-0.20515545	-0.47975045	-0.32561907	-0.67710614	0.5212547	-0.39788672	0.29032916	-0.74579537	0.36265907	-0.2726853	-0.21758306	0.45881388	0.2817266	0.3210513	0.7006397	-0.24685268	-0.6999307	0.67854	0.00740962	0.26325932	-0.2827155	0.6880768	0.17638133	0.5879735	0.42166558	-0.9351541	-0.9955015	-0.7496631	-0.07865722	0.06018487	0.10327026	-0.99497986	0.12203303	-0.011790575	0.9866508	-0.4428704	0.5149466	-0.005080129	-0.13522048	0.64931655	-0.9664399	0.2712966	-0.5592173	0.8835033	0.24290183	-0.31293464	-0.19028194	-0.60754275	0.41284642	0.007478855	0.14559478	0.5451918	0.24900252	0.6356064	-0.14968248	0.6428393	0.79846394	-0.92581147	0.23622617	0.3390246	0.80953765	-0.28518167	0.567375	0.10494157	0.02028427	-0.99714553	-0.6828149	0.5340258	-0.7197144	-0.037746433	-0.4146643	-0.3822299	0.2579603	-0.40242082	0.04825021	-0.13819487	0.15596545	-0.2724086	0.31012312	0.16247222	0.19534996	-0.19162583	0.32967868	-0.007437176	0.60904264	-0.08050576	0.32630673	0.2888252	-0.10298929	-0.65602595	0.8209737	0.3800946	-0.14903378	0.3556067	-0.915761	-0.05779684	-0.20866992	0.36387774	0.16216551	-0.6419518	0.027078206	0.7523767	0.38642657	-0.041479405	0.9995155	0.17184795	0.10034261	-0.003289274	0.1839773	-0.08066748	-0.105012536	0.53717697	0.38485318	-0.040004484	-0.21466966	0.9998246	-0.5087979	-0.006579922	0.12697428	-0.138925	-0.38386947	-0.54898584	0.47460973	0.5241527	-0.8314068	-0.32025054	-0.9988358	0.40926382	0.9968133	0.46730694	-0.21021523	0.32105777	0.29783055	-0.53543884	0.98980224	-0.19582093	0.15565021	-0.83394355	0.27743444	-0.47130516	0.11036068	0.09769781	-0.20772852	0.9983893	-0.7173618	-0.5819529	-0.9935546	0.15957855	-0.17711006	0.22644399	-0.111258395	0.004449919	0.685995	0.07499171	0.4878799	-0.25816548	-0.75783724	-0.6249748	-0.050498042	-0.6064216	-0.19344328	-0.9819408	-0.7670811	-0.014555276	-0.5897247	-0.36181182	0.331713	0.5496668	-0.4919697	0.315946	-0.79111505	-0.5102065	0.57317036	0.2957238	-0.48906478	-0.7750017	0.8177235	0.5594074	-0.095308624	0.5107043	-0.06844939	-0.1378189	-0.13539104	-0.5156939	-0.04333976	-0.5577769	-0.5213082	-0.36212212	-0.6121217	-0.37259623	-0.026106844	-0.2849516	-0.023330081	0.09413686	-0.30602357	-0.95779943	-0.40673125	0.007008782	0.10724607	-0.26568744	0.5783367	0.16304107	0.2703166	0.25707057	-0.26130685	0.4965475	0.22672126	-0.60740256	-0.45717514	-0.6400299	0.9979191	0.19291751	-0.19008888	-0.30637547	0.24637169	-0.40040722	-0.26390854	-0.23293285	0.6703559	-0.18339856	-0.65204763	-0.4590158	-0.43207338	0.08468723	-0.52312946	-0.073546045	0.8942852	0.36566284	0.2230048	-0.54685307	0.20040356	-0.32049307	-0.036373924	0.27803674	-0.031965706	-0.16194382	-0.39994496	-0.99854934	-0.54850656	0.3462646	0.06667545	-0.554903	0.272986	0.12279368	-0.27435914	-0.10203177	-0.28418872	0.71745795	-0.13073117	-0.53482145	0.5501977	-0.26716405	0.3399263	-0.00513241	-0.44701058	0.64175266	-0.4118465	-0.21583751	0.011487059	-0.2184317	-0.08929679	-0.25450772	-0.115520895	-0.029393505	-0.001279625	-0.6670869	0.5533324	0.9996471	-0.39999035	0.45180187	-0.17555204	-0.001432738	-0.05631232	0.29608712	0.7119971	0.122610554	0.3422707	0.9993733	0.30164295	0.9041227	-0.42692924	-0.53899986	0.99764425	-0.9856662	0.27700165	0.19099769	-0.13618815	0.15098067	-0.30129007	-0.42423958	0.020860054	-0.9096374	0.9937627	-0.12486494	-0.5009972	-0.17240058	-0.29364875	0.25677803	0.069757015	-0.002957108	0.9038385	-0.6302613	-0.3053278	-0.076084286	-0.98834497	-0.30065683	0.23084214	-0.09894072	0.5025124	-0.6096112	-0.32977706	-0.08812234	0.42102242	-0.9506803	-0.2897003	0.44878396	-0.11766922	-0.42004097	0.079088844	-0.53954583	0.11722238	0.6746259	0.07742074	0.1905433	-0.43886948	-0.09651371	0.22208804	-0.13552392	0.6013929	0.3024979	-0.43900558	0.660716	-0.34565797	-0.42702958	-0.065387264	0.89475846	-0.995812	-0.29606655	-0.78211534	0.36047825	-0.08787986	-0.11157445	0.15737566	0.9980767	-0.3065539	-0.55967927	-0.124459796	0.07942457	-0.53358907	-0.47575957	-0.8306232	0.27036065	0.42516252	-0.07915351	-0.25099012	-0.13205136	0.5326578	0.20937276	0.5284214	0.9367982	-0.37320158	1	0.002140199	0.058250878	-0.019965438	-0.082866445	-0.94888246	0.19610791	-0.26425704	-0.70810944	-0.6712138	-0.3061088	-0.1068303	0.34158227	0.2336742	0.7841667	0.37124017	0.27282637	-0.13336667	0.49808204	0.028926592	-0.50602233	-0.1434163	0.118816756	0.89127225	0.112357706	-0.97721297	-0.25808164	0.0755682	-0.3165524	-0.08629131	-0.7529112	-0.53883296	-0.5946021	-0.194714	-0.217632	0.6314815	0.49130127	-0.2256319	0.22438686	0.030426672	-0.17792703	0.9999777	0.5622999	-0.98762035	0.09552854	0.9993906	-0.50046206	-0.22004604	-0.9989995	-0.6309357	0.59087455	0.65419686	0.16779725	-0.57178265	0.2534466	-0.09896683	-0.40467766	-0.3834068	-0.67807704	-0.3208765	-0.030482953	0.004081261	0.14819787	-0.9999779	-0.9994594	-0.9941769	-0.36287642	-0.2182563	0.24267285	0.29980028	-0.6715737	-0.74628526	0.41450065	-0.2621463	-0.23073669	-0.7207209	-0.6914939	0.24759145	-0.4276042	0.52863574	0.40501785	-0.08922712	-0.9792443	-0.999971	-0.4982634	-0.22304873	-0.19164959	0.37623638	-0.13726747	-0.99533075	0.20916581	-0.7502331	-0.063368976	0.1458026	-0.021505948	-0.40756464	0.95707476	0.078028865	0.7387738	-0.1790861	0.78767014	-0.44989768	-0.83554024	0.091864094	0.26315027	-0.48092476	-0.13411772	-0.025892684	-0.41091755	-0.421193	-0.329404	0.23863181	0.07105323	-0.104367174	0.6004757	0.07908348	-0.030699685	0.1424631	-0.74776155	0.215422	0.4783136	0.38923156	0.1192721	0.1275312	0.99948066	0.71491903	-0.000946758	-0.31911796	0.16950157	0.20270108	-0.4925509	0.115567274	-0.5129371	0.15868005	0.4641198	0.74038756	-0.04936638
81	0	CCOCCOCCOCCO	-0.109428495	0.33310688	-0.027771039	0.5085129	0.6085293	0.19422895	-0.03802381	0.017862502	-0.827474	-0.08724306	0.015118946	-0.1875092	-0.071176186	0.27665812	0.5208537	0.5941683	0.43422982	0.13246116	0.56824493	-0.31484586	0.2855859	-0.8450577	-0.2360268	0.41676557	0.35924777	-0.13988829	-0.35175872	-0.114486046	-0.38230073	0.02336574	-0.19703814	0.019797418	0.3389593	-0.616259	0.027159285	-0.5020758	-0.17329901	0.65122575	-0.7207617	-0.90056145	-0.93299365	-0.4744077	0.41763398	-0.4088727	-0.5934692	-0.9911811	0.03589066	0.40562743	0.82730764	0.3911586	0.5635035	-0.5550522	0.071141236	0.07364754	-0.36756223	-0.27258343	0.9156279	0.9842425	-0.13113824	0.004664945	-0.25484633	-0.08893206	-0.26504114	-0.008315179	-0.6641604	0.002161242	-0.3588686	-0.7276236	0.005491264	-0.347087	-0.25869015	-0.99977696	0.23682223	0.77661365	-0.27252302	0.6275102	-0.2465767	0.64979166	-0.08903234	-0.9992093	0.09160945	-0.04980087	-0.422076	-0.34018877	0.6717588	0.923962	0.028861433	0.40924138	0.24469186	0.028125143	-0.19375467	-0.37886208	-0.6471174	0.07556596	0.99053526	-0.22629759	-0.42246738	-0.31562543	0.6101075	-0.040409137	-0.054331418	0.3253036	-0.70160884	0.09463782	0.97644335	-0.7456349	0.4484625	-0.08882281	-0.6471028	0.59295565	0.67734426	0.13979012	0.4548335	0.08285503	0.15626223	0.005275382	0.28404874	0.6528429	0.9967426	0.72050244	0.10259168	-0.13350214	0.58694416	0.37896124	0.123284765	0.5351731	-0.32745773	0.20188698	-0.38765565	0.95917517	0.14434399	-0.20269288	-0.2559466	-0.4021231	0.40333763	-0.14654088	-0.4843907	-0.20486136	0.56605744	0.12643868	0.9996491	-0.52934873	0.94734424	-0.040318303	-0.043173462	0.60786223	-0.08472799	-0.7286809	0.9934289	0.67664814	0.5135802	-0.47241083	-0.44624028	-0.057529304	-0.23708865	-0.3663633	0.01734102	0.9987852	0.26557904	-0.711733	-0.9839643	-0.6468344	0.022196224	0.54391736	0.061703574	0.37265557	-0.61182475	0.72627956	-0.3462725	0.38400483	0.2636645	-0.13348739	0.2969798	-0.31312266	-0.45210132	-0.9351915	-0.26787212	-0.009474835	-0.719104	-0.28641543	0.3320772	-0.6342435	0.53151375	0.44524032	-0.80048746	0.50526565	0.31822765	0.59449273	-0.02734829	0.8085032	-0.16478008	0.22762017	-0.59407693	-0.010879218	-0.052112926	0.32247892	-0.3490673	-0.65309274	-0.19888146	0.5046478	-0.51347613	-0.6321863	0.16959694	-0.05156351	0.5790158	0.14515984	0.23224747	-0.7489465	-0.16346347	-0.8783507	-0.1578968	-0.058543816	0.20212127	-0.17095199	0.31537592	-0.022342488	-0.81114674	0.119450994	0.32675013	0.06266062	-0.24694097	0.40101147	0.5533481	0.63825536	0.991437	-0.1855581	0.056439668	-0.47163814	-0.1439802	0.019430438	0.32146457	0.20180075	-0.2908019	0.22863412	0.550595	-0.4533314	-0.08257934	-0.4129801	-0.22499909	0.4232778	0.8838559	-0.12866655	-0.5536761	0.28860003	-0.53348356	-0.31644523	0.056892615	0.034046683	-0.5472511	0.6108777	0.18674572	-0.99964106	0.34964642	-0.1650541	0.49675167	0.566147	0.22079748	0.13532132	-0.17055526	0.106585205	0.5635803	0.033804532	0.645106	0.5567801	-0.30483815	-0.23218305	-0.38464957	0.22524878	-0.5704326	-0.4898681	0.14911853	0.22690775	-0.11159335	-0.13643125	-0.25930652	-0.23836407	0.26980513	-0.014396819	-0.57250315	0.82623607	-0.28080273	0.99797374	-0.18656382	0.38418484	-0.74502987	0.705234	0.14049977	-0.5290942	0.5530055	-0.07425751	-0.010348097	0.99917686	0.018529734	0.3473781	0.3158531	0.50384045	-0.9968889	-0.121093445	0.33811578	0.022097224	-0.117484465	0.26341063	0.7796319	0.51187307	-0.651439	0.012318878	0.99575514	-0.08740454	0.16413197	0.12191549	-0.009849598	0.2932632	0.4076695	-0.25665605	0.6732424	0.65970397	-0.19621362	-0.107953474	-0.97222203	0.16750401	-0.34799394	-0.08736923	-0.23310061	-0.6931967	0.55521524	-0.3181217	-0.19825813	0.46731204	0.4792368	0.14834267	-0.15065323	0.3031668	0.25292262	-0.2200732	0.27957052	-0.9344229	-0.14053974	-0.31254026	-0.5272582	-0.64579475	-0.10867974	0.19276352	-0.2737069	0.91106904	0.4564829	-0.36529073	0.16918492	0.30501384	0.52115905	0.97607565	-0.9901816	0.41904002	-0.14861603	0.44277552	0.2611991	0.2270205	0.36061627	0.9945427	-0.25877675	0.6629961	-0.6837067	0.24693112	0.7101045	-0.41723225	0.7498733	0.23160298	-0.18556094	-0.7378726	0.31722605	-0.22978003	0.4045773	0.07125237	-0.77790284	0.8041962	-0.11586769	1	0.23348637	-0.13005714	0.030462246	-0.426944	-0.5159391	-0.14431985	0.775033	0.77059215	0.515691	-0.43874085	0.017695	-0.12486047	-0.6148677	-0.59957904	-0.15504377	0.15744722	-0.2369294	-0.7354793	-0.15041149	-0.77809274	0.7216004	0.7852075	-0.4090833	0.666747	-0.20122828	-0.10591702	-0.5371507	-0.07450618	0.23190522	-0.13150585	0.3949998	-0.31010222	0.6374902	0.22504725	-0.76167816	0.05719157	-0.3486388	-0.35514984	0.4821235	-0.80368465	0.99982995	-0.26169685	-0.5362514	-0.09840564	0.9947681	0.2863225	0.031017652	-0.9980869	0.2872499	-0.7417462	-0.87236106	0.29287994	-0.35331064	0.40019768	0.18455862	0.93878657	-0.16765617	0.17682861	0.026286518	-0.030547507	0.19363745	0.086465195	-0.9987744	-1	-0.98866737	-0.5134812	0.16336139	0.53238976	-0.14035752	0.095503375	0.87680054	0.29153886	0.619563	0.68363476	-0.017024329	-0.32856047	0.21505791	0.14822595	0.4744455	-0.13249053	-0.4459106	-0.98987836	-0.9991012	-0.06667951	0.12457784	0.008468572	0.07586437	0.16565508	-0.75022644	-0.046809223	-0.6239554	-0.4725499	-0.32433492	-0.5806725	0.001119159	-0.8785067	0.37126255	0.11629244	0.38359174	0.84540284	0.07566854	-0.27751842	-0.26819748	0.019318085	0.10182755	0.9223329	-0.4132875	0.5751461	-0.4301963	0.67238545	0.2684676	-0.2637316	0.69492245	-0.63306427	-0.39016226	0.40555403	-0.33273226	-0.9279199	0.73264587	-0.43568134	0.4579352	0.09525217	0.04966786	0.9998117	-0.17148328	-0.25602508	-0.73790604	-0.24341013	-0.33018634	0.26504424	0.23868382	0.218779	-0.14324526	-0.66816825	0.36416033	0.005039573
82	1	CCc1ccc(O)c(C(C)(C)C)c1	-0.77686965	-0.5093426	0.038442776	0.16327423	0.3562186	-0.02961614	-0.472691	-0.34197307	0.15247732	-0.63189167	-0.82084703	0.3412833	0.12005219	0.25946903	0.2792765	-0.4673739	-0.5533887	-0.39295992	0.24239078	0.047047414	0.18927947	-0.6875389	0.5819564	-0.11293258	-0.14072163	0.67108905	0.18926461	0.40287027	0.5601909	-0.3242994	-0.50440925	0.49408895	-0.38247293	0.15702245	-0.05980973	0.40965918	0.31861898	0.3881195	0.5856048	-0.897199	-0.99329585	0.001982393	-0.038859818	-0.4488511	0.10953965	-0.99423796	0.27428347	0.18278109	0.954179	0.35336	0.5811366	0.21126868	-0.05632357	0.22970718	-0.9614699	-0.2143065	-0.5779898	0.87907535	0.45769498	0.064439975	-0.27458012	-0.5218295	0.42153838	-0.18648516	0.006504196	0.31178194	0.28806686	0.6595948	-0.09433707	0.6123351	0.720255	-0.90288585	0.27938277	0.33003798	0.8673964	-0.21239339	-0.009371858	0.17114839	0.24618721	-0.99778885	-0.6034218	0.5636546	-0.8335459	-0.090055026	0.115162276	-0.5508683	-0.000885621	-0.1123818	0.511097	-0.24934389	0.012733523	0.27164996	-0.16794375	-0.34979892	0.079520196	-0.0925099	0.6513318	0.3630453	0.22835745	0.03191672	-0.06867701	0.5270608	-0.2989009	-0.7060671	0.6955602	0.43460962	-0.020609494	-0.14750238	-0.9206758	-0.42932764	-0.39781076	0.30996227	-0.14429703	-0.562247	-0.10736796	0.64811337	0.25999323	-0.07299359	0.9994826	-0.22765177	0.32308117	0.35763377	0.24163714	0.19170488	0.17145377	-0.043418273	0.20641203	-0.3320231	-0.15767775	0.9998294	-0.3626996	0.19589101	-0.06342591	-0.056785624	-0.16492626	-0.7350983	0.4550451	0.81074214	-0.80464745	-0.2674531	-0.99885786	0.2758437	0.9970393	0.625312	-0.18316852	-0.16994609	0.15912141	-0.61993617	0.98447204	-0.28488877	0.06083249	-0.81292653	0.11735098	0.27868068	0.2394045	0.3189054	-0.5023963	0.9976298	-0.7588133	-0.6019417	-0.9917139	0.027750917	-0.091555715	-0.22457133	0.27525797	-0.18271832	0.63497204	-0.23890457	0.08356321	-0.19110215	-0.8127417	-0.54340166	0.46813238	0.06343898	0.03901417	-0.9738057	-0.7827117	0.5371905	-0.6957901	-0.050574437	0.028312804	0.56015605	-0.5517936	0.27185065	-0.7967346	-0.33498555	0.41401297	0.2155221	0.098470114	-0.66827995	0.7447022	0.44877094	0.28623646	0.5561507	-0.2817259	-0.08246708	0.37419972	-0.59357685	0.117319494	-0.1764982	-0.51756924	0.055443387	0.2048917	-0.013654072	0.15102644	-0.47964597	0.093831725	-0.25987336	0.08115657	-0.9784317	-0.36690292	-0.27999562	0.06712816	-0.2802515	0.50708467	0.24451502	-0.31273815	0.106336184	-0.2874327	0.3161109	-0.12082706	-0.07825433	-0.30911312	-0.6812282	0.9938141	0.28484344	0.13886732	0.08071287	0.022287587	-0.36291096	-0.44480455	-0.18197462	0.5716804	-0.11629981	-0.3904145	-0.45873904	-0.33530352	0.23003463	-0.43289226	-0.023272267	0.9281037	0.58322597	0.041704763	-0.6982143	0.19368455	0.07742545	-0.23172805	0.18820734	-0.4913287	0.033303738	-0.17313856	-0.9986134	-0.6059243	0.41803014	0.36097923	-0.65131617	-0.13054985	0.2597231	-0.41273975	0.10194113	-0.3047986	0.5623999	-0.23012842	-0.4934144	0.79085857	-0.46809587	0.020730427	0.1687611	-0.27168044	0.577133	-0.5257373	0.42492655	0.3510899	0.06328976	0.016690196	-0.6539418	-0.4063086	0.08829086	-0.2126095	-0.39941084	0.51562977	0.9997146	0.098167	-0.15988457	0.052544307	0.058671393	-0.21894519	0.24534546	0.68963796	-0.059073754	0.06848631	0.9992811	0.008768362	0.9222874	-0.21459791	-0.33381605	0.99878854	-0.9922826	0.08209677	0.14393535	0.15226567	0.15087913	-0.25260183	-0.18772231	-0.07078795	-0.8860792	0.98523366	-0.004651237	-0.40638655	0.10919831	-0.36507297	0.27625045	0.28339478	0.03955481	0.92519474	-0.5360284	-0.35094962	-0.10297535	-0.96107167	0.38992846	0.4674189	-0.01889485	0.7436491	-0.6325471	-0.30033565	-0.5342467	0.49501118	-0.96621245	-0.18186791	0.46102688	0.17284673	-0.55565804	-0.1946998	-0.38005134	0.2639697	0.61820006	-0.1266263	0.382961	-0.027572796	-0.11952892	0.12358036	0.3401719	0.4495695	0.12203763	-0.24100384	-0.029576143	-0.3577541	-0.5817232	-0.12729074	0.86162984	-0.9962299	-0.18567656	-0.7404307	0.043264106	0.26078913	-0.44537506	0.37468845	0.99934536	-0.22883897	-0.41672474	0.21926151	0.32441583	0.062146284	0.40678737	-0.81578726	0.1873926	0.4500562	0.058979034	-0.30192617	0.29837856	0.6560684	0.000340178	0.3549812	0.8926761	-0.03264167	1	-0.0542938	-0.10926315	0.111088485	0.15218917	-0.86924547	0.3743956	-0.44077116	-0.3464267	-0.706899	-0.47236526	0.0642214	0.77145535	0.4512094	0.7624532	0.09736105	0.12648138	-0.09487682	-0.07521142	0.048041463	-0.6476922	-0.03850869	-0.2579066	0.8959867	0.030618554	-0.97711694	0.5895126	-0.048484858	0.29868189	0.010399889	-0.3077343	-0.2157859	-0.6795952	-0.44100997	-0.28987235	0.3244725	0.4912298	-0.40163642	0.45756757	0.13491203	0.16129616	0.99990517	0.09839351	-0.97732127	0.21704309	0.99978787	-0.33311927	-0.5284668	-0.9982975	-0.44339445	0.7425023	0.6695788	-0.07414466	-0.42741877	0.3425242	-0.074088514	-0.53909045	-0.6272219	-0.43128428	-0.2559313	-0.35398668	0.05434119	0.06045089	-0.9999766	-0.99873656	-0.9917941	-0.4597527	-0.043842673	-0.22161971	0.119370565	-0.62191343	-0.78031605	0.19170256	-0.5652041	-0.2727277	-0.69216806	-0.509736	0.30851442	-0.22110307	0.7083587	0.090940796	0.19970897	-0.9724524	-0.9999698	-0.70761913	-0.3708696	-0.23178147	0.30915645	0.2897478	-0.99482334	0.21847263	-0.57116675	0.13785343	-0.5035614	0.33264047	-0.55684066	0.9532538	0.09835154	0.62806726	0.18752186	0.6766185	-0.45214128	-0.8034512	0.3452688	0.44999847	-0.62140757	-0.3167695	0.26883423	-0.47270802	-0.2749517	-0.1724877	0.18370995	-0.5194616	-0.06699765	0.57183117	0.042119093	-0.17537287	0.307229	-0.58342296	0.02450661	0.27015078	-0.017265286	0.28799394	0.594124	0.9994968	0.4539164	0.007878794	-0.46123266	0.44346765	0.120654196	-0.25020346	-0.24264535	-0.5906011	0.04580148	0.6099833	0.7578413	-0.014659035
83	0	COc1ccc(O)c(C(C)(C)C)c1	-0.568716	-0.34487915	-0.08853985	0.12989704	0.32996327	0.07787192	-0.542152	-0.14875868	0.085267805	-0.532015	-0.59297204	0.378263	0.2864816	0.2559325	0.19511086	-0.3099373	-0.3225146	0.001756541	0.054364406	0.02817011	0.073955454	-0.65479267	0.59869945	0.043068632	0.08188115	0.51823187	0.119266786	0.5389366	0.28195116	-0.24645078	-0.46700886	0.44140208	-0.49233016	0.39766556	-0.2564949	0.44472605	0.20321907	0.37390685	0.63498	-0.8934527	-0.9961702	0.14235966	-0.16621305	-0.37338418	0.11589861	-0.99363196	0.13524261	0.07045107	0.9454302	0.5746922	0.50010765	0.13507642	-0.29903677	0.19822621	-0.9519996	-0.04824343	-0.62786764	0.8703536	0.27000085	0.038545918	-0.13643637	-0.48470578	0.53741676	-0.14906287	-0.029566912	0.2245724	0.43099493	0.530073	-0.11417813	0.52079064	0.56321263	-0.9711768	0.36410356	0.34597465	0.77929634	-0.21841455	-0.18063958	0.03513044	0.26188853	-0.9982729	-0.4206887	0.31183603	-0.7750958	-0.3573538	-0.23128912	-0.1829804	-0.2027361	-0.17165194	0.34020814	-0.33862647	-0.06092113	0.10657851	0.07868549	-0.2980994	0.6951964	-0.10927697	0.48444104	0.18918455	0.3008638	0.07212192	0.18344976	0.24223657	-0.18238275	-0.7182134	0.6898345	-0.07320438	0.03341926	0.23647048	-0.9266246	-0.31913725	-0.41844484	0.19458662	-0.14656602	-0.5197974	0.051448073	0.53555435	0.36099514	0.09812654	0.99951565	-0.18333957	0.26206255	0.3119943	0.20092335	0.33236495	-0.073708445	0.06721434	0.2718979	-0.32472837	-0.24544746	0.9994317	-0.22152351	-0.011029053	0.28710303	-0.061822277	-0.19312821	-0.8028451	0.42547527	0.6462687	-0.75136214	-0.30277142	-0.9991765	-0.026078979	0.9947958	0.7009796	-0.004433014	-0.08964915	0.0700513	-0.652176	0.9837623	-0.49382335	0.57280964	-0.7248963	-0.09736604	0.047076	0.036321893	0.11659306	-0.43992844	0.99762905	-0.7519266	-0.5401554	-0.99159503	0.008918935	-0.003837445	-0.13681088	0.007134808	-0.08022343	0.29942226	0.18593585	0.019768137	-0.084305786	-0.77290416	-0.41205052	0.3695743	-0.038152706	-0.07080592	-0.9706972	-0.75679547	0.43423638	-0.7236384	0.004674431	0.051405936	0.11521397	-0.5539996	0.3153636	-0.7702674	-0.3432017	0.54700905	0.46935463	-0.010215137	-0.63365644	0.80519116	0.2858289	0.332919	0.453012	-0.42477408	-0.14198364	0.28580818	-0.6519423	0.14652233	-0.32935506	-0.6656772	0.00068146	-0.2508394	-0.033837426	0.08474978	-0.36093104	0.23510213	-0.08967403	0.34194273	-0.979061	-0.5569523	-0.19080712	0.08589017	-0.06885168	0.49800172	0.33168527	-0.15138243	-0.025370114	-0.37296587	0.38767195	-0.3627837	-0.06345661	-0.0926182	-0.6267186	0.9932536	0.17612325	0.17594157	0.035024345	-0.004284817	-0.102729075	-0.41103205	-0.20850521	0.6186036	-0.27000314	-0.4446646	-0.44103774	-0.56038415	0.19118896	-0.39357516	0.10578965	0.9308687	0.54659635	-0.1177936	-0.6830191	0.28339937	0.07397829	0.026552236	0.32372335	-0.39519015	0.007822385	-0.30945238	-0.99845254	-0.3972268	0.32393944	0.2597425	-0.68938243	-0.40029895	0.1820904	-0.38700205	-0.004173697	-0.4564477	0.43094498	0.45849788	-0.4225981	0.7065697	-0.5386083	0.02330501	0.51713634	-0.27879316	0.5728376	-0.35945266	-0.08663182	0.38908848	0.004697407	-0.18227437	-0.65261006	-0.40481865	0.27520669	-0.053712677	-0.48046884	0.43745306	0.999674	-0.0922782	-0.17617565	-0.19280677	-0.054568436	0.05224774	0.084069185	0.6652806	-0.098462604	0.23480205	0.99936473	0.31683016	0.91971034	-0.18029243	-0.3199214	0.99883384	-0.97710586	0.10917663	0.06110197	-0.01489058	0.05899371	-0.2620342	-0.21519367	-0.13034518	-0.76735103	0.9847089	-0.19802293	-0.43347242	0.24279398	-0.28742823	0.32011274	0.2660066	0.15332687	0.861227	-0.54894197	-0.33490783	-0.19240594	-0.9610219	0.41340318	0.41799864	-0.13344899	0.8155638	-0.6580091	0.042866092	-0.12401323	0.21501432	-0.9500992	-0.15591247	0.52618706	-0.011237305	-0.533098	-0.18682668	-0.37779462	0.19965795	0.19632512	-0.310284	0.2409162	-0.2953196	-0.09565055	0.4294621	0.3279836	0.35268205	0.15537708	0.007945678	-0.07145891	-0.33955684	-0.60037714	0.043733887	0.85047424	-0.9952282	-0.22924162	-0.6910271	0.081428826	0.04165573	-0.38772312	0.3395845	0.9989242	0.003532876	-0.38514528	0.34069878	0.300061	-0.054671403	0.42693558	-0.7694843	-0.19646662	0.4150749	-0.09864319	-0.0898031	0.1563497	0.6156695	-0.015956407	0.5269367	0.8677325	-0.27695623	1	0.016746795	0.054628298	0.14080888	-0.16805528	-0.8400117	0.067197636	-0.39028266	-0.43592694	-0.76421934	-0.5863751	0.27100462	0.5847397	0.1007519	0.75141007	0.018120905	0.2540102	0.047893096	0.47270045	0.09840641	-0.66004	0.094966285	0.25181356	0.90242964	0.27769628	-0.94002265	0.32429513	0.12643021	0.2142677	-0.027418291	-0.16869004	-0.123128936	-0.48981985	-0.42387468	-0.3070912	-0.16116007	0.58015317	-0.45838642	0.11383748	0.2298875	0.055935074	0.99990994	-0.20648248	-0.9804789	-0.10169983	0.99973094	-0.26021135	-0.26909786	-0.99786	-0.38911182	0.6664159	0.6043424	-0.15879185	-0.6326234	-0.22983792	0.08803943	-0.025367035	-0.7577482	-0.63755155	-0.36450562	-0.4863852	-0.14558531	-0.08304458	-0.9999723	-0.998618	-0.99248797	-0.6892839	-0.18257865	-0.2135625	0.24123156	-0.5347934	-0.8059197	0.28684634	-0.4379076	-0.13297147	-0.6547124	-0.44720417	0.34401622	-0.08760224	0.7168672	0.060996454	-0.071545176	-0.97558326	-0.999967	-0.5610469	-0.09484415	-0.1540368	0.17584437	0.32143927	-0.98489374	0.39937714	-0.45610118	0.040724713	-0.27252498	0.10125341	-0.46571064	0.949989	0.13590439	0.76116335	-0.010627613	0.6131524	-0.48180127	-0.7500003	0.25740442	0.63124263	-0.6406719	-0.007997954	0.49843237	-0.5633656	-0.1858052	-0.14094959	0.2461422	-0.5071483	-0.35402185	0.5710408	0.037448954	0.028435169	0.32394713	-0.55779403	0.0775606	0.42014924	-0.116869986	0.15724003	0.60528487	0.99943835	0.41725683	-0.11923995	-0.4443529	0.43044192	0.08385993	-0.0351218	-0.19571666	-0.38366443	-0.109281	0.35438627	0.6559556	-0.20398979
84	0	CC(C)(C)c1ccccc1O	-0.7556957	-0.357062	0.22719802	0.39261535	-0.018537017	-0.13101429	-0.7107754	0.074461274	-0.14459592	-0.146844	-0.82336414	-0.24663875	0.37311435	-0.38669065	-0.48985577	-0.06114309	-0.25250757	-0.18543543	0.43011367	-0.29855058	0.2219133	-0.8976422	0.1588449	0.010410356	0.3358024	0.51065797	0.50469124	-0.060612813	0.6366506	0.030183295	-0.6089905	0.7304998	0.14872475	0.22950068	-0.58670807	0.52127814	0.39820057	0.73431367	-0.035289455	-0.95738333	-0.99740785	-0.28160158	0.30138156	-0.034240715	0.13778953	-0.9964464	-0.013272384	-0.13358052	0.95164186	-0.45318508	0.52426964	-0.020801457	-0.040850498	0.25333545	-0.9675588	-0.0373375	-0.6055436	0.95246726	0.3152255	0.10166612	-0.13644788	-0.35994124	0.4351293	0.3140994	0.40116724	0.44644347	0.30806348	0.39678243	-0.04782873	0.16469817	0.8998848	-0.9646824	0.047101013	0.4632568	0.41249108	0.15901598	-0.2022162	-0.24023877	0.12039249	-0.9973665	-0.57510716	0.31064752	-0.75323427	-0.17675252	0.32475492	0.07607384	-0.106822714	-0.4518956	0.10204179	0.3042335	0.27105245	0.36702982	-0.01346917	-0.4666221	0.5585947	-0.322767	0.63624465	0.24115002	0.7685842	-0.36346033	0.45421398	-0.2859386	0.3162979	-0.65465665	0.9319664	0.37273788	0.58769244	0.29908392	-0.7294113	-0.21136291	-0.04220476	0.022410015	0.17902723	-0.22242583	0.03943932	0.6722714	0.6398528	0.16933338	0.9984783	-0.20733856	0.39889476	-0.30085737	-0.23845385	-0.022693882	-0.13310347	-0.23914047	-0.40301764	-0.019445367	-0.30669123	0.99958295	-0.3670947	0.32241812	-0.051049523	-0.3482455	-0.4388104	-0.3723953	0.43044582	0.65627664	-0.75123894	-0.4432472	-0.9943114	0.44124973	0.9956614	0.6145598	-0.21597405	0.36495742	0.23028396	-0.28806305	0.99494344	0.32730615	-0.13132288	-0.50999016	-0.09418692	0.42892715	-0.47854045	-0.5719444	-0.13920626	0.9986873	-0.66141933	-0.83826375	-0.9888764	0.2676943	-0.10352201	0.30212867	0.063766375	0.03884258	0.7114997	0.7071461	0.18066853	0.48754957	-0.76990265	-0.13917784	-0.31176484	-0.111111455	-0.09497976	-0.98698914	-0.87193525	0.45982647	-0.34715548	-0.23008338	0.04547774	0.41503942	-0.01462334	0.013525778	-0.901335	-0.24569826	0.5224943	0.06403099	-0.18674205	-0.15450317	0.72013587	0.55602664	-0.14272079	0.7075408	0.56399715	-0.7416311	0.49412555	-0.48114893	0.3462796	-0.35405338	-0.19451335	0.39556342	-0.08848395	-0.46890086	0.49045417	0.059547182	0.787853	0.062070984	0.0920445	-0.90667754	-0.2678919	-0.14027044	0.660428	-0.13492905	0.5979304	0.3574603	0.06845947	0.31608802	0.000323087	0.1049892	-0.07421143	-0.5553889	-0.1868375	-0.3668312	0.9792909	-0.21728534	-0.15255475	-0.28638163	-0.2286709	0.12530816	-0.11487399	-0.28849536	0.7534383	-0.4880542	0.27716187	-0.45607075	-0.16802754	0.11251363	-0.43402624	-0.37336758	0.8922798	0.12751251	-0.072565146	-0.7158887	0.5326038	-0.38626468	-0.112798356	0.42528683	-0.1335422	0.11946398	0.047669005	-0.9972616	-0.68602353	0.46718717	0.49256125	-0.524589	-0.58901983	0.0000575	0.2974554	-0.2570055	-0.56258065	0.60109496	-0.5634622	-0.3614553	0.3236294	0.14331357	-0.078804635	0.50140846	-0.4819307	0.26659903	-0.54395306	-0.7399896	0.09517613	0.41970456	0.011123015	0.17276466	-0.2574222	-0.30274877	-0.02735954	-0.22964764	0.22851747	0.99907404	0.021482974	0.415427	0.010700014	0.1432504	-0.30444685	0.13784286	0.73059106	-0.41124976	-0.18825388	0.9992023	0.4629016	0.8546797	0.014452508	-0.12889455	0.9971392	-0.97165763	-0.0610736	-0.1043407	0.09274455	-0.10041855	0.086205624	-0.41234672	-0.09178641	-0.53160423	0.9969453	0.2203637	-0.41351867	0.11989098	-0.1798008	-0.7084946	-0.18199605	-0.29710042	0.92828727	-0.4049166	-0.16264558	-0.55394703	-0.9945749	-0.013199679	-0.14252946	0.43062446	0.3646603	-0.61212754	-0.45670077	-0.3410077	0.3382295	-0.9661821	-0.003326043	0.37894356	0.10627537	-0.20366144	0.48035654	-0.39482084	0.14635289	0.550263	0.44617325	0.078793526	-0.53414845	0.047059026	-0.17154293	-0.062808566	0.53889287	0.66413605	-0.004088295	0.5759424	0.15306772	-0.4220039	-0.04838167	0.9369709	-0.99552894	-0.099513814	-0.48471648	-0.08072622	0.4245475	-0.43897146	0.08297805	0.9959278	-0.07730915	-0.5124855	0.37879694	-0.4530116	-0.39397404	0.20528631	-0.81158674	0.5013142	0.03459361	-0.49282473	-0.070570976	0.17336579	0.55816764	-0.54560333	0.30797437	0.969483	-0.2586623	1	-0.044126626	-0.3941447	-0.4766803	-0.07856373	-0.9417315	-0.49722737	-0.10443065	-0.22321136	0.042094465	-0.4593569	-0.082585126	0.17070869	0.14856474	0.69727737	0.14783245	-0.10773205	-0.11120729	0.09502069	0.002809461	-0.6012206	-0.19269301	0.19583742	0.8603212	-0.034885507	-0.97889435	0.5525148	-0.14721447	0.013033465	-0.041466758	-0.53335106	-0.75362736	-0.56529546	-0.047596615	0.002063004	0.6059018	0.41907567	0.010494399	0.40171248	0.20321946	-0.34377584	0.99997294	0.08055056	-0.9971022	-0.41905218	0.9986343	-0.5223626	-0.06345847	-0.99905473	-0.32216856	0.6921393	0.5337791	-0.030193055	-0.64252836	0.5262339	0.44920844	-0.04398743	-0.6131726	0.052498728	-0.45456788	-0.2675143	-0.086683616	-0.15339047	-0.9997524	-0.99979097	-0.9914588	-0.009703271	-0.61562455	0.63537705	0.2644159	-0.73651767	-0.8454258	0.30384973	0.058323048	-0.531529	-0.6896994	-0.72356474	0.27558035	-0.11227413	0.38710997	0.4295976	-0.4762781	-0.9844146	-0.99979645	-0.5963789	-0.04018106	-0.5698599	-0.06092673	-0.33195725	-0.9965022	-0.074672006	-0.69453025	0.10114097	0.041105885	0.11569927	0.0246961	0.9633339	0.17979264	0.7828299	0.6702105	0.30508235	0.2974345	-0.8941705	0.12325797	0.29425946	-0.28237402	0.19735323	-0.2023903	0.15209928	-0.033115722	-0.21962549	-0.18969673	-0.6360561	0.008098434	0.65272605	0.082103334	-0.18258049	-0.15475069	-0.89937174	0.49687478	0.17401658	-0.1379357	0.28639492	0.2268083	0.9957845	0.20158012	0.27371362	0.17304415	0.5292739	0.2218168	-0.29540226	0.6204233	0.06805449	-0.055636037	0.21483229	0.80864567	-0.002713122
85	1	CC=CC=CC(=O)O	-0.67883444	-0.057296894	-0.70525795	0.3340312	0.066221915	0.4577163	0.3075815	-0.28162083	-0.23747389	-0.042629767	0.047727063	-0.39076877	-0.33439738	-0.4778879	0.47491986	0.4055226	0.65830356	-0.20593001	0.35025328	0.28255212	0.6864281	-0.91117734	-0.3559909	-0.029425284	-0.07363465	0.16196436	0.3347396	0.3280864	-0.37363485	0.19809557	0.49200583	0.64725876	0.5639186	-0.27049315	0.16598468	-0.08195685	-0.26675105	0.7824866	-0.87266105	-0.7831532	-0.98727405	-0.2940823	-0.3265647	-0.43359175	0.26653764	-0.99381244	0.1316263	-0.027169691	0.98850334	-0.22480516	-0.021341069	0.5529189	0.06804951	-0.22464152	-0.90886474	0.2504323	0.2867191	0.97009444	0.10210018	-0.19740175	-0.29016095	-0.5194649	0.54631954	-0.341436	-0.27500093	-0.15277006	-0.12138912	-0.13163258	0.01323627	-0.42397758	0.84102565	-0.99577117	0.35230932	0.77573586	0.027231216	0.6456306	-0.26443425	-0.13346995	-0.3667799	-0.99983525	-0.64186645	0.009103077	-0.23622671	-0.43894413	0.6062692	0.91277903	0.3134302	0.003926339	-0.48505968	-0.13213973	0.45983145	0.11735349	-0.13369086	-0.25760984	0.9549419	-0.10483088	-0.38157544	-0.15915515	0.5109434	0.2123725	0.007792907	0.2026564	-0.09709355	-0.84787536	0.98920083	0.4469537	0.22559172	0.25091574	-0.83247703	0.21472996	-0.0064271	0.014620451	0.36493492	-0.45048064	0.1309878	0.42447317	0.056816753	0.36105022	0.9971946	-0.24614914	-0.16302292	-0.11457234	-0.2780891	-0.111986175	-0.3330427	0.31172764	-0.38624063	0.4299211	0.19231093	0.9969817	-0.06514991	-0.055489242	-0.23833823	0.044177547	0.28512308	-0.25531873	0.20129283	-0.093922675	-0.38577622	-0.0887808	0.999577	-0.32935598	0.96969754	0.6938025	0.4096001	0.79981625	0.20248166	0.11584095	0.99495566	0.6678916	-0.4630656	-0.7100426	0.025139567	0.11803434	0.07537307	-0.18321973	0.29597542	0.9988296	0.13316615	-0.911705	-0.98962337	-0.4517947	-0.32012945	0.33442244	0.064151555	-0.41821465	0.40729886	0.22966324	0.08245308	0.000717625	-0.6489655	-0.30369094	0.46285093	-0.59303224	0.45480907	-0.96719366	-0.7417294	-0.47941628	-0.08532054	-0.21411426	0.07157266	-0.85061014	-0.04677682	0.32556644	-0.9361873	-0.51271045	-0.46081737	0.048027903	0.08818935	0.2523424	0.3660773	0.62799263	0.1882623	0.4041195	0.5631027	0.5198686	0.35772502	-0.38605055	-0.2131965	-0.090393096	0.019084385	-0.30412352	-0.17472766	0.007847806	-0.007620704	0.11633063	0.18538539	-0.06711325	-0.59782255	0.18087369	-0.43923533	-0.23567691	-0.011105054	-0.092336	-0.21254288	-0.07891745	0.2829424	0.24865521	0.3553133	0.27870002	0.27514663	0.07447076	-0.25567806	-0.0350774	0.98835236	0.3608967	0.12605895	-0.14567414	-0.42945826	-0.36925542	-0.27285427	-0.14388046	0.060958054	-0.55540454	0.2967498	-0.4028748	-0.36922312	-0.34728494	-0.022664335	-0.51474446	0.8744695	0.13453507	-0.51114976	-0.4918828	-0.3769528	-0.4917211	0.061993655	0.5750044	-0.5140671	0.27305833	0.582165	-0.9995163	-0.32533532	-0.4961958	0.43920267	0.036374286	-0.0632838	0.012188835	0.053146202	0.12142177	-0.6236585	0.2157946	-0.26675496	-0.007919279	-0.20154306	0.3288828	0.16874732	0.22970574	0.7493709	-0.01097958	-0.047870547	-0.5477755	0.07872215	-0.40970844	-0.017931467	0.17959085	0.45309943	-0.6748677	0.07955122	0.78705955	-0.30789715	0.99837554	-0.3475397	0.60856235	-0.10927703	0.30818513	-0.47454694	-0.7431475	0.13090917	0.5916324	-0.3912646	0.99875146	-0.08673422	0.6319982	0.114892796	0.3771106	-0.99502087	-0.70614004	0.15952995	-0.21568932	0.23954962	0.14706436	-0.021403216	0.5064403	-0.08218182	-0.64416236	0.9991714	0.33900285	-0.3665068	-0.6261366	-0.38582495	0.28836873	0.3564486	-0.63651025	0.25934386	-0.20714436	0.22760758	0.3513291	-0.9758953	-0.3426182	0.17724492	0.60545236	-0.25363535	-0.2392249	-0.39108878	-0.22070204	0.3677475	-0.93474984	-0.03751205	0.21818127	0.5447239	-0.2773718	0.6898185	-0.059703648	0.35749608	-0.30887118	0.25770673	-0.33384332	-0.5321794	-0.3445977	0.67064553	-0.042190157	-0.32333213	0.78061587	0.11725441	0.36018497	0.29393798	0.35455996	0.30214065	0.98000234	-0.99104	0.38345054	-0.47595397	-0.2663858	-0.18826942	-0.39331162	0.20819291	0.9573694	-0.4406657	0.18439114	-0.24169362	-0.03621722	0.036048092	-0.092719905	-0.46795732	0.4498454	-0.18026352	-0.41557026	-0.4045303	-0.36187717	-0.097299024	-0.46649757	-0.3670706	0.96093726	0.2507494	1	-0.6971999	0.17617933	-0.1475412	-0.29592925	-0.97313714	-0.17112122	0.5253011	0.08975067	0.5083394	-0.053744417	-0.34600824	0.07630317	0.21398531	0.42571476	-0.096953966	-0.30484274	-0.33264762	-0.49445862	-0.63201654	-0.7777922	0.5968931	0.22583121	0.43033212	0.62048596	-0.82246125	0.25205234	0.16014013	-0.34459582	-0.41191897	-0.45975497	-0.8289328	0.24485964	-0.2138858	-0.37379286	0.6222507	-0.19554406	-0.31474003	-0.187426	0.2912021	-0.16688767	0.9999053	0.35224676	-0.7231893	-0.3196654	0.9959044	-0.13540922	-0.13814221	-0.9972431	0.042015523	0.665978	0.34262806	0.41260263	-0.18891199	0.13873641	0.40608558	0.71502966	-0.11712401	0.09688048	-0.085056946	-0.004106807	0.48771176	0.48021093	-0.9996975	-1	-0.9951778	-0.14407575	0.543757	0.2319737	0.24333526	-0.4292149	-0.24112622	0.04263526	0.35615763	-0.48045772	-0.5380604	-0.46380928	0.034564257	0.38907078	0.07733363	-0.4317011	0.071914434	-0.99393773	-0.9996201	-0.18429999	0.28078744	0.11010977	0.3029634	0.10026553	-0.9142041	-0.54632974	-0.59756523	-0.060897097	0.23118968	0.21883348	0.3186643	-0.9379833	0.5239615	0.7794516	-0.14258423	-0.2741533	0.33154553	-0.8067349	0.31322685	-0.23904125	-0.12865353	0.67708623	-0.9055162	0.33677906	0.13079518	0.04270759	-0.021470344	0.1852999	0.20794111	-0.028688194	0.37729126	-0.1470896	0.2748511	-0.9832322	-0.037261717	0.25945216	0.37844658	0.1586825	0.011183948	0.9996045	-0.13202709	0.007988397	0.14634939	-0.32328478	0.20638187	-0.35286704	0.90438193	0.12881516	0.014259281	-0.20835589	0.75733453	0.039108373
86	0	Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)[nH]c1=O	0.26673803	-0.27322584	0.69432914	-0.35071978	-0.62003714	-0.16242556	0.42332962	0.000762695	0.014996426	-0.38148773	0.1526227	0.03158642	-0.3384792	0.78000706	-0.022880573	0.05684473	0.09655949	-0.5661137	0.013005503	-0.14022261	0.5818175	0.03432754	-0.38673374	0.6095511	0.19703585	-0.56360275	-0.44885433	-0.032534905	-0.28249773	0.51391137	-0.534888	0.06505375	-0.4807142	0.4414554	0.73318684	0.14963607	0.8387238	-0.35105684	0.98893106	0.54139817	-0.41966093	-0.4139025	-0.39843735	-0.4430946	0.10614305	-0.8707059	-0.4090499	0.7879333	0.41329294	-0.49324772	-0.69703513	0.6235325	0.45192924	0.7818584	-0.32795414	0.3814723	-0.10458215	-0.09963994	0.13763595	0.74270445	0.1270134	0.45327803	-0.32105267	0.74571335	-0.38060707	0.34921604	0.26260146	-0.09476148	-0.21536529	-0.6283582	-0.90975815	-0.99986595	0.29972962	0.54860556	-0.57947534	0.46465307	0.7641792	-0.41954565	0.40900666	-0.99991494	-0.5323733	-0.010237863	-0.9564305	0.1607962	-0.74373645	0.81492394	0.017520439	0.38790533	-0.6243959	0.35694173	0.2934428	-0.40611455	0.098151594	0.46906903	0.9998586	-0.25194597	-0.95871174	0.4956946	-0.16022465	-0.26052922	-0.52465934	-0.34930208	-0.37280867	0.56261176	-0.9470039	-0.88922644	-0.42665297	-0.083632536	-0.99964404	0.276124	-0.62250084	0.25665802	0.1722069	0.29178905	0.17183995	0.1356594	0.07277413	-0.37236023	0.99829894	-0.71887845	0.025941651	-0.12469943	-0.17188694	-0.69181544	0.47198597	0.29925063	0.59579986	-0.4642082	0.6707511	0.8581892	-0.19993694	-0.62464446	-0.15159614	-0.1107763	-0.37044618	0.15853441	0.2366357	-0.4625182	-0.45604733	0.061500024	-0.9999712	0.61010563	0.009495612	-0.5556685	0.19101633	-0.4586207	-0.051075444	0.5696792	-0.5293925	-0.19369885	-0.06955956	-0.6420831	-0.82478666	0.10351117	-0.26730013	0.5992534	-0.4079301	0.7637012	0.09631588	-0.8029619	-0.95200723	0.50677645	0.51659715	-0.70864505	-0.18785383	0.5343944	-0.19485877	-0.70324785	-0.5963441	0.16743203	-0.5761266	-0.14805672	-0.3080029	-0.047766723	-0.31392705	0.16679327	-0.0238344	0.428309	-0.009402441	-0.6850523	0.2955166	-0.999084	-0.7413307	-0.4716868	0.8082094	0.53722924	-0.118154846	0.52707213	-0.29913634	-0.19724512	-0.07833958	0.49521175	0.077592656	-0.5067875	0.21877715	-0.6464685	0.10873043	0.6875067	-0.24259868	0.18728375	-0.18507563	0.12955546	-0.5022142	-0.72397995	-0.39258024	-0.3850497	0.41614226	0.5552988	-0.28649908	-0.9988203	-0.013556384	-0.7705961	0.7758783	0.46174446	0.4348411	0.5009314	0.59543246	0.26312542	-0.69234264	-0.24311231	0.45000213	0.52068675	0.9047797	-0.11085768	0.99858147	0.25673977	-0.56106246	0.6941863	0.28964323	-0.18231967	-0.5644129	-0.5704348	0.56054085	0.6057694	-0.29469222	-0.330644	-0.6099951	-0.11937107	-0.44758922	0.13384773	-0.99088573	0.13087326	0.14070722	0.48241705	-0.7954202	-0.0064724	-0.8253831	0.29008412	-0.22721641	0.17545067	0.49694672	-0.98071265	0.31329313	0.18605357	-0.065357365	0.69013935	0.4057005	-0.43295813	0.050670117	-0.1260472	0.23317967	0.7349271	0.15439543	-0.28747508	-0.034323234	0.54076517	0.2831901	0.6577092	0.08128795	0.39340433	-0.4719007	0.9974964	-0.32775635	-0.32174248	-0.4206399	0.423567	0.27504024	-0.035496533	-0.08991077	0.2985048	0.33100894	0.99775827	0.7076605	-0.0834812	-0.43622434	0.6430128	-0.35797033	-0.63898355	-0.9785527	0.34816134	0.10076856	0.98527545	-0.18629816	0.71426016	-0.48547405	-0.18275014	0.9999898	0.34402898	0.3492231	0.2958686	-0.36131835	0.6967869	-0.62897485	0.22714956	0.5232532	0.8341324	-0.29211703	-0.13192001	-0.25639695	-0.14566156	-0.21374182	-0.055788077	0.57776296	-0.6660851	-0.90321904	-0.3379819	0.2708074	0.293391	0.9578104	-0.41086364	0.4215126	0.030425632	-0.39782843	-0.16025327	0.12850113	-0.33212864	-0.81671864	0.79819566	-0.011595261	-0.43413073	0.79849935	-0.76717746	-0.23321879	0.31508514	-0.60421455	-0.9844751	-0.3262944	-0.00742322	-0.51897466	0.28179064	0.36821717	-0.7176525	-0.45677805	-0.43084157	-0.3063179	-0.033434745	0.61276513	-0.40467623	-0.5165217	-0.22424214	-0.91312736	0.20798889	-0.24212259	0.16370696	-0.19895372	0.31896964	-0.32440767	0.9991876	-0.6459783	0.94379663	-0.7195508	0.45375764	0.3482477	-0.034428794	0.70529854	0.4716896	0.07183307	0.64592505	0.004283432	-0.19256352	-0.14269304	-0.370969	-0.38172594	-0.62386286	-0.045891557	0.99783623	-0.66698575	0.6174221	0.29856843	0.29971543	0.29615685	-0.014716289	0.04886583	-0.6825029	0.040101223	0.2926782	0.18670486	-0.6877228	-0.0631116	-0.65467346	-0.2541015	0.0700938	-0.4039122	0.04379387	0.035173092	-0.7740433	0.5916244	0.66923	0.35033873	0.80863345	0.97357136	-0.25383672	-0.026932454	-0.20250812	0.13556147	-0.52797943	0.3201537	0.9377784	0.46169078	-0.25827312	0.6142712	0.159257	0.041296985	-0.32404143	-0.21815528	0.4743283	0.87250686	0.48764372	-0.96832246	-0.07954746	0.9994033	0.23990609	0.2887962	-0.9741791	-0.64785564	-0.5660788	-0.024230042	-0.088449545	0.003894089	-0.058876414	-0.35249242	0.7751608	0.014999358	-0.62939453	-0.1391229	0.36894736	0.60843474	-0.19612153	-0.9999592	0.9917814	-0.90792054	-0.39561087	0.2647802	0.72728354	-0.85270303	0.37365782	-0.4066093	-0.58052427	0.17230883	-0.09036984	-0.035848867	0.9024514	-0.72907066	-0.31919625	-0.2303174	-0.5915588	0.51028115	-0.49611402	-0.99992794	0.39014214	-0.79909587	-0.48826233	-0.2583065	-0.49396843	0.9524722	0.6767841	-0.5233062	-0.6135983	-0.56005436	-0.22766358	-0.20289828	0.87954855	0.36245638	0.54282796	-0.40096796	0.69447416	-0.3919088	0.71652895	-0.48108447	-0.6708464	0.6448863	0.9383528	-0.9652025	0.27706084	-0.20980442	-0.29552484	-0.13335595	0.40904108	0.04784833	-0.053961355	0.004041157	0.17653567	-0.4954147	0.9221421	0.27435866	0.21404476	-0.24677649	0.51674324	-0.3606037	0.9997809	0.6263462	-0.021031123	0.57181215	-0.7187617	0.17263608	-0.3252792	-0.99345165	-0.6759725	-0.7113559	-0.66919607	0.7551499	-0.080791466
87	1	CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1	-0.7502816	0.13460253	-0.025117725	0.015611475	0.65228045	-0.35547632	-0.40077215	0.40936702	-0.04477684	-0.33826444	-0.8977685	0.53700864	-0.3358418	-0.4003266	-0.022296576	-0.6045933	-0.18046889	-0.38480458	-0.4095852	-0.648453	0.11292709	-0.313798	0.8697178	-0.6358282	-0.38264906	0.8033797	-0.08905687	-0.659709	0.9289048	0.24452959	-0.32281965	0.63357455	-0.24586959	0.3019374	0.26970896	0.058200356	0.5837722	-0.001840042	0.9986779	-0.850304	-0.6243173	-0.18702267	0.15237552	0.230015	0.24193075	-0.50011843	-0.22107038	0.06888616	0.69032943	-0.29992133	0.5144285	0.039069798	-0.28798768	-0.19885652	-0.87345815	0.4863191	-0.89599186	-0.6663159	-0.017134843	0.5381789	0.16817926	-0.66598105	0.34375873	0.28481403	-0.3798928	0.61372757	0.3047779	0.56651956	0.33811834	0.3308144	-0.62319297	0.6993047	0.3465887	-0.5396752	0.86812294	-0.77204454	0.4302636	-0.5985382	-0.73992264	-0.9931768	-0.85030276	-0.022410246	-0.92037684	0.6523339	-0.47406885	-0.9832563	-0.27221206	0.2667744	-0.34267646	-0.8390843	0.5171194	0.02474937	0.2983836	-0.23865011	0.8884407	-0.3511223	0.9219465	0.14496294	0.021522554	0.526982	0.5552266	0.17930561	0.47975495	0.6425576	-0.9920452	0.29616088	-0.10541893	-0.658056	-0.9996592	0.065828726	-0.5972225	-0.066637486	-0.2704573	-0.34047672	0.5578885	0.68060464	-0.10745561	0.21542569	0.99296916	-0.27308527	-0.05035015	-0.5157407	-0.6711504	-0.03331595	-0.84327984	-0.14850624	-0.075785734	0.7127789	-0.24633463	0.99994916	-0.56349474	-0.14279306	0.027310953	-0.40417737	-0.12940432	-0.7943963	0.46338367	0.8776063	-0.6277747	-0.41250262	-0.9999804	0.45325258	0.97804356	0.17004903	-0.4606538	-0.2343322	-0.4160908	0.024359677	-0.75624007	-0.08111619	0.5814813	-0.82619977	-0.023098098	0.1330849	-0.001828464	-0.13393565	-0.25356725	0.08694235	-0.93559283	-0.08338845	-0.8050993	0.039121937	0.5544006	-0.1571385	0.54658216	0.13600713	0.82791495	-0.39593685	-0.46672794	0.11519312	-0.6326278	-0.049888123	0.34451395	0.55263907	-0.061651044	-0.9370434	-0.8948178	0.1797768	-0.09541222	-0.15915094	-0.07906599	0.4358001	-0.48948175	0.19499557	0.70892847	0.39506575	0.39408004	0.07943982	0.054651678	-0.7336105	0.7746471	0.0397423	0.41554657	0.30219543	0.4523823	-0.7504874	0.39542386	0.70113325	0.14631233	0.01754104	-0.8469903	-0.22666964	0.34988785	-0.6955093	0.12452068	-0.3461112	0.42814648	0.013653062	0.72540015	-0.99960274	-0.13538145	0.6321604	0.02084743	-0.17396389	0.5651638	-0.5455962	0.36101165	0.41641742	-0.88782597	0.15765339	0.11487537	-0.7363871	-0.4261019	-0.60349286	0.9999662	-0.3117897	0.048569072	0.410177	0.45221084	-0.42848402	-0.45553672	0.099303484	0.43047208	-0.6920941	0.4604717	-0.15968749	0.46978113	0.14973255	0.18442523	0.13743962	0.80699193	0.84323066	0.19976103	-0.52132404	0.7035128	0.47597215	0.95299524	-0.17301702	-0.40367165	-0.13201885	-0.23829664	-0.9819844	-0.5115985	0.24812183	-0.16530953	-0.5157064	0.1395404	-0.3497895	0.55085695	0.5052893	-0.8350126	0.87497675	-0.24596687	-0.6888561	0.58709437	-0.74902	0.63739693	0.46844506	-0.89613324	0.2066835	-0.7431912	0.99434865	0.4777728	0.6999246	-0.56275976	0.46812457	0.008025048	-0.15540896	0.45040104	-0.7526269	0.8993187	0.99572986	0.261726	0.5900289	-0.63505083	-0.3828	-0.5438101	0.7439727	-0.5998595	-0.07447345	0.35754457	0.92248946	0.1100156	0.5780552	-0.11052603	-0.3641367	0.9999933	-0.99853265	-0.36276153	0.35510647	0.1723066	-0.4355728	-0.38797632	-0.09348022	-0.000306055	-0.9550619	-0.88154227	0.3039634	0.089026764	-0.242015	0.7981099	-0.3489291	0.5159558	0.015631918	0.89309436	0.2544189	-0.09492283	-0.32618776	0.97314775	0.7652857	-0.32184055	-0.29259974	0.35206428	-0.6805158	-0.67863554	-0.3009307	0.647729	-0.9569153	0.3384427	0.56015915	-0.32559967	0.042975448	0.69305617	0.13101289	-0.39857778	0.97531086	0.35131767	-0.16136661	0.21937013	0.012839066	-0.68216145	0.3805449	-0.015016659	-0.84570855	-0.7217356	0.26858124	-0.6411185	-0.60969985	-0.29667684	-0.6829026	-0.91556734	-0.5185155	-0.6172622	-0.40682572	0.2854022	-0.1990343	0.25823462	0.9995988	-0.4742619	-0.018831167	0.24619605	0.25985768	-0.3800782	0.24429949	-0.9695881	0.5035427	-0.049050637	0.742988	0.3890257	-0.111819126	0.28105044	0.9046964	0.70882183	0.10039939	0.56030035	0.98858505	0.6864226	-0.36028197	-0.7460053	-0.3443989	-0.8716896	-0.042173717	-0.7450915	-0.6896683	-0.24853855	0.07044479	0.122906595	0.26418325	-0.5745499	0.7322288	-0.010970072	0.5744135	-0.14637302	0.8060014	0.6985355	-0.41282108	-0.35019135	-0.63516086	0.7050754	-0.7586332	-0.7760297	-0.517642	-0.8530284	0.59612906	-0.5690695	-0.09750549	-0.14597479	-0.6556992	0.6298376	-0.23369011	0.5038579	0.07719059	-0.68044513	-0.01981667	0.015043604	0.63283217	0.8687643	0.3591536	-0.9716946	0.75839555	0.99905485	-0.79714	-0.15429533	-0.98795366	0.045269407	0.19996963	0.69224596	-0.12113234	-0.53860873	0.038284186	-0.2390577	-0.965472	-0.33419788	0.57083434	-0.59246385	-0.4215033	0.47892293	0.54465824	-0.99998224	0.99782085	-0.62798566	-0.38907492	-0.2814766	-0.20290798	0.08980086	-0.8985069	-0.4506518	0.20461793	0.12481891	0.25893983	-0.8945442	0.036030713	-0.20345028	-0.076676056	0.5344467	-0.56465465	-0.5910893	0.54714864	-0.99989814	-0.55708206	0.24568167	-0.010693385	0.22290164	-0.23739547	-0.99183726	0.71617675	-0.6087953	-0.1871734	-0.01599039	0.03938494	-0.019704187	0.97014904	-0.38273746	-0.78386813	-0.47371557	0.60485184	-0.81825256	-0.8900925	-0.14996897	-0.5396605	-0.22078864	-0.70707965	-0.9703183	0.05091437	-0.46761712	-0.7376417	0.72805464	-0.7744997	-0.45772332	0.8057162	-0.6315154	0.07913085	0.5806379	0.98730886	0.13079542	0.14271785	0.051378906	0.019832436	-0.092198834	0.99987966	0.7151682	-0.27400625	0.26986715	0.49546206	0.45237735	-0.23149255	-0.9880426	-0.44285473	0.8637631	0.80869174	0.34807113	-0.6236424
88	0	Cc1cc(-c2ccc(N)c(C)c2)ccc1N	-0.80748224	0.037323773	0.6298086	-0.47569862	0.44815153	-0.39332208	-0.14115152	-0.46650162	-0.14345932	0.55857676	-0.9119597	-0.20492306	-0.45119718	0.29475024	-0.06582659	0.033005916	0.004379971	-0.18231042	0.008142974	0.1656483	0.24837072	-0.6704094	0.7684121	0.1919827	0.50489855	-0.12004556	-0.056160267	0.39802045	-0.047240198	0.043712705	-0.03431889	0.33147708	-0.14859642	-0.26229692	-0.29969442	0.09967839	-0.39775604	0.5776662	0.9478466	-0.8784877	-0.69545025	-0.4132629	-0.8756773	-0.4383352	0.39518675	-0.9823497	0.08436926	0.16007246	0.13854933	-0.29840004	0.13838318	0.4652259	0.16591883	-0.07912486	-0.9387124	-0.37745368	-0.7558443	0.75958043	0.63140553	0.18173859	-0.012823821	-0.03678705	0.1060597	-0.6320563	0.42195308	0.6783093	-0.0747402	0.5779538	0.34281185	0.1510697	-0.2758278	-0.89753157	0.14275402	-0.70006055	0.6121652	-0.11067317	-0.035950735	-0.03087392	0.2605588	-0.98661304	-0.77604854	0.13416867	-0.9312664	0.032341935	0.49506962	-0.7435159	-0.37772948	-0.1328159	-0.28646395	-0.48677185	0.21479933	0.1712233	-0.046297632	0.10521934	0.7596539	-0.15838748	0.4810567	0.3532261	0.5859969	-0.031614393	-0.44025162	-0.60557526	0.13315243	0.47939062	-0.23765327	0.1319057	-0.24946764	0.015523847	-0.99926466	-0.2824052	-0.43993935	-0.19926615	0.07402442	0.42620784	-0.41093373	-0.4341372	-0.2902691	0.34533358	0.99833935	-0.27769768	-0.28587392	-0.7184437	-0.0919776	-0.49355984	-0.32187277	-0.12905218	-0.121519506	0.054120727	-0.115785964	0.9997699	-0.6817974	-0.005451731	0.05349558	0.1381598	-0.04529094	-0.06423621	0.3825195	0.7506783	-0.6668768	-0.13901448	-0.99945813	0.53733593	0.9814609	-0.121785544	-0.11908184	-0.006059543	0.059171923	-0.43062732	0.8818448	-0.26048228	-0.23503102	-0.633269	-0.44121066	-0.07885935	0.244993	0.5016642	-0.5926575	0.98013926	-0.5050706	-0.026087057	-0.9798649	0.27091566	0.5734061	-0.001688687	0.2813194	0.41897067	0.79628885	-0.6801654	0.073234946	0.11815948	-0.7860734	-0.2716363	0.13143201	-0.4498249	-0.60856867	-0.939418	-0.80074286	-0.088384666	-0.28895688	0.12017328	0.31562775	-0.49390855	0.1943535	0.29618552	-0.28444806	-0.45693883	-0.007054882	0.15689196	0.42618632	-0.23000364	0.80490017	0.07909626	-0.3029955	-0.03727061	0.40182468	-0.081275396	-0.39921126	0.5224026	0.18630798	-0.32079175	0.07501107	-0.7083466	-0.41870788	-0.18848562	0.6567734	-0.22552243	-0.007992396	-0.23107919	0.25870496	-0.99819034	0.18079963	-0.28535	0.42374095	-0.34991157	0.34297863	0.04033774	0.44592723	0.26266283	-0.22360021	-0.31792036	0.32112697	-0.671771	-0.56845295	0.513819	0.9999742	-0.10506632	-0.26721808	-0.14572342	0.14698495	-0.41571105	0.16444418	-0.60356504	0.40370455	-0.33234397	-0.23449564	-0.27531442	-0.5552825	0.40387917	0.09484922	0.47608247	0.85168254	0.094063446	0.5817432	-0.5136622	0.7002638	-0.5621596	0.09459286	-0.029063664	0.24037524	-0.42991015	-0.17550644	-0.97768956	0.71573687	0.27016205	0.049213998	0.59751374	0.6566921	-0.2034629	0.21748342	0.08040258	-0.29492614	0.5700356	-0.03697755	-0.7096786	0.5862123	0.17366952	0.19068347	-0.26039866	-0.9985792	0.042247478	0.03606662	0.8650961	-0.3042838	0.6275768	-0.51218086	0.18112104	-0.34219736	-0.06175104	0.32925117	0.29293594	0.3149758	0.99948335	0.23906057	0.6506429	0.353481	-0.27463147	-0.4715123	-0.18504357	-0.18389978	-0.17983302	-0.03853971	0.99713963	-0.24628876	0.6763003	0.033225078	-0.12399262	0.9998772	-0.986121	-0.029280985	-0.25617406	-0.46400225	-0.008937728	-0.779094	-0.34352908	0.53351307	-0.8628456	0.73976916	0.18865827	0.14767426	0.081352524	0.360721	-0.16832279	0.5385182	-0.6613488	0.7551766	-0.6981677	0.18677936	-0.42147383	0.8426866	0.1464747	0.13425893	0.49666125	-0.3407992	-0.2941489	-0.6231518	0.30197465	0.7174112	-0.87107867	0.12635745	-0.59932595	0.3452082	-0.4806053	0.3313146	-0.045801267	-0.70078504	0.4974108	-0.20735693	0.2957061	-0.17740162	0.2964263	0.07981018	0.06794657	-0.4444975	-0.5895828	-0.2676855	0.18133716	-0.24311428	-0.079260215	-0.23801841	0.63214076	-0.99364555	-0.06349118	-0.25689232	-0.45396897	-0.11375232	0.6805532	0.12041735	0.9995867	0.58485705	-0.11599482	-0.2893029	0.1829904	0.5137241	-0.56289667	-0.86967546	0.58368874	-0.22218563	0.016038166	-0.16341548	0.38640517	0.22064976	0.4193945	0.44895202	0.73369664	-0.15103684	0.99877036	-0.26939684	-0.13315347	0.2750447	0.5819983	-0.5826473	-0.64213383	-0.45128807	-0.70672345	-0.46569085	-0.33781847	-0.22822061	-0.118659236	-0.09596199	0.7378065	-0.20565554	0.18891175	0.35907534	0.27042577	0.041282967	-0.07736609	0.20736068	-0.207193	0.7150258	0.21087813	-0.8004644	0.017204735	-0.066320464	-0.15814812	0.24412763	-0.58729476	-0.31908053	-0.86910635	-0.55930305	0.3948291	0.73551714	0.52606314	-0.21040016	-0.5737765	-0.14665042	0.7021253	0.965474	0.58253306	-0.9872303	0.27451593	0.9996125	0.36938477	-0.53828526	-0.9860706	-0.035576746	0.63186294	0.7512719	-0.25155398	-0.500005	0.15010293	-0.7367024	-0.4158414	-0.2987473	0.19233344	-0.16063167	-0.23508242	0.5394814	-0.25720784	-0.9999734	0.988293	-0.9678579	-0.21576628	-0.22776267	0.44724292	-0.34641612	-0.754616	-0.58513266	0.61925477	0.25161713	-0.25170422	-0.9459031	0.21970849	0.427024	-0.75451916	0.71138436	-0.040738355	0.115857	-0.7961728	-0.99994546	-0.23718664	-0.10644408	-0.03513215	0.03645067	-0.3707262	-0.9658197	0.35594052	0.49518174	-0.48279393	-0.22844301	-0.02862026	-0.36413145	0.96622497	-0.5109853	0.4405272	-0.48494798	0.4996489	0.54833996	-0.7562977	0.31029543	0.6128722	0.36761126	0.12488822	0.3883141	0.31763285	-0.122029744	0.26198107	0.14028968	0.090113714	0.23552728	0.67386955	0.28783908	0.29736903	0.21079391	0.6246491	0.34551412	0.052800607	0.10738553	-0.7196643	0.33177507	0.99977654	0.5856398	0.26558444	-0.36418387	0.32648906	0.37176204	-0.4356432	-0.88782734	-0.12019937	-0.39365596	0.16790602	0.4190015	-0.28178015
89	0	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.6636724	0.4759313	-0.75507635	-0.24178563	0.6850067	-0.72769254	-0.23955148	-0.06284946	-0.062331326	-0.80359745	-0.2304906	0.25409845	-0.38199618	0.84842867	0.18858257	-0.99152076	-0.63961923	0.47761878	-0.44201717	-0.6297226	-0.47296828	-0.29607117	0.6554924	-0.44156286	0.7903765	0.6296259	0.39866248	0.43344867	0.96674544	-0.35471007	-0.51995105	0.78291494	0.23327453	0.5388133	0.00962044	0.8529397	0.16464232	0.462698	0.9989425	0.19565691	-0.53362066	-0.48883733	0.34246656	-0.72699404	0.18942106	-0.7321171	0.73678255	0.35033703	0.9740471	-0.08654427	-0.18199098	-0.006681555	-0.10194853	-0.55532616	-0.7948539	-0.33096755	-0.5861821	-0.8119467	-0.72425276	-0.14404649	0.50144655	0.033244826	0.38758168	0.113463394	0.001191073	0.4852848	0.009343288	-0.7343292	-0.42402977	0.23076138	-0.31854934	-0.663864	0.1024316	0.8303683	0.90199715	-0.90507144	0.83194643	0.16282344	-0.6913206	-0.99833935	-0.11231173	0.7564138	-0.6610885	0.31017566	0.2539387	-0.5822285	0.15669452	0.16540688	0.1220447	0.60950303	0.2883181	0.6056326	0.53487825	0.043353803	0.9425424	0.006937877	0.5579257	-0.3867036	-0.15153754	0.3829474	-0.5783179	-0.2567747	-0.115889296	-0.58102465	-0.9931147	0.6234382	-0.06335292	-0.033491112	-0.66034657	-0.28007576	-0.19197784	-0.034428988	-0.75714844	-0.4843565	0.40455583	0.82600206	0.3336139	0.607978	0.9968254	-0.7602288	0.83230025	-0.088842995	0.37502483	-0.19771992	0.14126126	0.7119024	-0.58068216	-0.33169225	-0.27556604	0.9996201	-0.43647704	-0.6172209	0.94031936	-0.6357322	-0.3428423	-0.81331867	0.5553569	0.6972666	-0.88431466	-0.6674189	0.99950546	-0.23669639	0.98625493	-0.20594919	0.6486852	0.103017725	0.8740266	-0.06419245	-0.8755489	0.07724996	-0.31753445	-0.6886424	-0.20931762	-0.80632067	-0.578828	-0.47814232	0.42736748	0.26191202	-0.9699062	-0.197777	-0.72954273	-0.4507112	-0.5379506	-0.14544897	0.8627942	0.40941077	-0.81109965	0.39944226	-0.040357586	-0.22801231	-0.8115335	-0.7388117	0.015286028	0.63770396	-0.5339178	-0.9363544	-0.83320165	0.7156755	-0.06476407	0.538617	-0.67672133	0.4921147	-0.44103095	-0.9001048	0.7391151	-0.5836793	0.1794009	0.69332254	-0.6431397	-0.93787926	0.3052795	0.75355196	0.33138898	0.5558459	0.016580628	-0.022398787	0.4556489	-0.5722877	0.14296542	-0.2111696	-0.63159204	0.50250334	-0.19710805	-0.5282582	0.5695334	-0.51715034	0.5900057	0.58722883	-0.71872383	-0.9999057	-0.33782637	0.67217636	0.7540658	-0.08338856	-0.8023254	0.4108877	-0.30118614	-0.25879958	-0.20655864	0.48740909	-0.2840538	-0.3162722	-0.11847918	-0.13472174	0.81070507	-0.4343692	0.7257688	-0.07482096	0.002928742	-0.794587	-0.069974154	-0.21119173	-0.05383232	-0.03248935	-0.36688787	0.4822243	-0.43355414	0.053017177	-0.26669717	-0.3121044	0.54585624	0.85810655	0.64342207	0.17150016	-0.9761875	-0.016057556	-0.27491352	-0.08877465	-0.6563751	-0.00985031	0.42555445	-0.9998599	-0.8332757	0.43573266	-0.36620203	-0.54522127	-0.25733012	-0.47062832	-0.284082	-0.012249306	-0.46612132	0.26227275	0.27598745	-0.37767667	0.45653597	-0.62366664	0.3254617	0.38561592	0.7341372	0.25575224	-0.8845199	0.9935486	0.6605846	0.6076718	-0.5565291	0.87535334	0.23543529	-0.71522397	0.146128	-0.98614043	-0.52784747	0.99564564	-0.25493488	0.43578982	0.22756542	0.6608564	-0.7524168	0.6593203	-0.68996966	-0.9239451	-0.5394317	0.96156615	-0.88769543	0.79120755	0.29430255	-0.64207125	-0.9977706	-0.99592733	0.027707139	0.040744945	0.1023819	-0.5696801	-0.2688981	0.7216798	-0.4260134	-0.019572902	-0.8220546	0.46793973	-0.35186642	-0.10819482	0.54689735	-0.14581779	0.22298414	0.19133723	0.90844405	0.81002873	-0.13109379	0.22857185	-0.9570114	-0.5108839	0.16151674	0.42898577	0.7730321	0.44424257	-0.44042328	0.69825613	-0.10644316	-0.92368215	-0.8547751	-0.20894487	-0.8203858	0.0532721	-0.4831877	0.04066596	-0.23113996	0.9190121	-0.839834	-0.39601997	0.05881789	0.08298378	-0.8418614	0.36533588	0.9251655	-0.90630406	-0.12999524	-0.7206329	-0.23002897	0.13253875	0.37289262	-0.2804756	-0.8703307	-0.4923629	0.72982544	0.07454485	0.13413487	0.26745814	0.15877627	0.99997395	-0.023146162	-0.19380303	0.31629282	0.7529847	0.20326234	-0.05730878	-0.863376	-0.25291154	0.66022056	0.7976624	0.58810514	-0.29372305	0.02068084	0.06112502	0.8889291	0.37476107	0.1170862	1	0.20965965	-0.521466	-0.19123907	-0.16363302	-0.8787517	0.48411974	-0.8472995	0.29131427	-0.3324509	-0.73392946	-0.65051764	0.8762504	0.7497619	0.527404	0.4182863	-0.10371845	-0.056402735	0.0351566	0.29114795	-0.9965194	-0.84891975	-0.29954883	0.84329116	-0.4528736	-0.522993	-0.32206348	-0.22431815	-0.13614269	-0.11447982	-0.50565517	0.15640327	-0.23970328	0.2310273	-0.36547533	0.6250437	0.095359825	-0.09212613	0.5648611	0.5778546	0.6038201	0.9998984	-0.27184245	-0.9849426	0.1928573	0.9993324	-0.9578708	-0.28773135	-0.99922633	0.024008987	0.46744516	0.0904097	0.059772488	-0.095305674	-0.23130125	0.464101	-0.82333535	0.14615828	-0.33799285	-0.66814196	-0.7380485	-0.2557166	0.05474506	-0.999985	-0.99999994	-0.92513275	-0.00572997	0.34907284	-0.25803187	0.42645487	-0.82444185	-0.62333804	-0.38439775	-0.82160056	0.7983245	-0.779282	0.22273906	-0.039938062	-0.022909526	0.29325646	0.08006202	-0.72263914	0.06433301	-0.9998897	0.6818508	0.6188343	0.077064835	-0.43042055	0.12906753	-0.9705005	0.07375041	-0.4046078	0.39199412	0.6344633	-0.043544617	0.30759293	-0.944489	-0.21032481	-0.12964554	-0.1671309	0.19297768	-0.62975734	0.4123802	-0.56903	0.2692131	-0.88128835	-0.8198809	-0.9971366	0.27118176	-0.59845656	0.47065702	-0.1697098	0.43749878	0.24326506	0.8699356	-0.6734863	0.16426523	0.65045077	0.98654044	-0.003169539	0.7716698	-0.022016821	0.73044455	0.32602417	0.9966454	0.8305955	-0.83355707	-0.5337124	-0.33936152	-0.68172884	0.9045124	-0.99614817	0.22891206	0.37479842	0.95045835	0.79945916	0.17315136
90	0	C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	0.5654142	0.5737637	-0.67819405	-0.52761686	0.65332955	-0.8618411	0.051211197	0.097066365	0.27774724	-0.35564348	0.63704586	0.06966864	-0.059193857	0.82066303	0.08241581	-0.9946011	0.15565762	0.19422223	0.13618252	-0.72823083	-0.65622765	0.0888995	0.6850972	-0.4890538	0.4700217	0.811019	0.36283788	0.27132997	0.90118337	-0.2950066	-0.62878853	0.7812921	0.40941224	0.387268	0.38628393	0.8657736	0.3271789	0.71225214	0.99978846	0.23595293	-0.6225282	-0.26041284	0.19509201	-0.59829694	-0.49233457	0.47488526	0.5582193	0.6662027	0.99311674	-0.3943343	-0.38542733	0.40100995	0.00589241	-0.6820655	-0.4421454	-0.4807814	-0.18130383	-0.9648035	-0.6518223	-0.3251801	0.35766572	0.060188618	0.20843877	-0.25081608	-0.14657754	0.33538333	0.42296875	-0.74932396	-0.17009531	0.6131775	-0.5541095	-0.16151746	0.20384243	0.7943963	0.78241485	-0.53573626	0.57881206	-0.30897072	-0.67364246	-0.9997006	0.5200458	0.6466151	-0.92896694	0.31751317	0.6000202	-0.80969006	0.09609651	-0.010992388	0.17114052	0.42819086	0.1329989	0.7070272	0.58496344	0.4103014	0.99464834	-0.5104743	0.6017367	0.2225861	-0.6082655	0.30711275	-0.37666497	-0.6550844	-0.083539106	0.15654035	-0.9994895	0.19304185	0.5182459	0.23266533	0.9537791	-0.14887705	0.17240286	0.042905822	-0.6923623	-0.5928679	0.4048828	0.8151219	0.5458024	0.6130085	0.96781653	-0.52765113	0.7197128	-0.16251154	-0.16711184	-0.6380444	0.14210135	0.6315276	-0.7290283	-0.4565073	0.508048	0.99985814	0.0835404	-0.27929136	0.8974204	-0.10325794	0.052934214	-0.97642344	0.31377304	0.43970335	-0.8544731	-0.79234713	0.9990129	-0.19871493	0.8738096	0.11500154	0.28289676	0.1577855	0.80023044	-0.039183114	-0.99633294	-0.28771877	-0.048924237	-0.87299824	-0.085799456	-0.24764022	-0.7694246	-0.4241182	0.17777	-0.876105	-0.9512238	-0.65164286	0.059482764	-0.5089655	-0.45597708	0.20964004	0.40407243	0.5707502	-0.52618665	0.4906742	-0.41288105	-0.22205745	-0.83141744	-0.8114493	-0.01692727	0.7903954	-0.40816447	-0.90371543	-0.8183978	0.58779114	0.11486922	0.21854436	-0.6961344	-0.59036756	0.25562522	-0.8396962	0.9147046	-0.46893936	0.19959718	0.74587685	-0.5258294	-0.9452974	-0.5126273	0.7897546	0.69953054	-0.27269855	0.22544414	-0.007166482	0.5064901	-0.9319843	0.11439245	-0.6408509	-0.8548304	0.5435045	0.07086338	-0.4689259	0.3938362	-0.50401974	0.67255783	0.25438341	-0.84624684	-0.99997425	-0.24147844	0.9235953	0.2762344	0.05229983	-0.9535577	0.47615042	-0.2274242	0.29388767	0.004591034	0.4787146	-0.44791296	-0.059794426	0.10050042	-0.49018314	-0.94976956	0.09005586	0.606398	-0.5990698	0.41765293	-0.7979273	-0.6987132	-0.031788044	0.2179529	0.56777304	-0.47856393	0.8137908	-0.118637815	0.50516266	0.68324894	-0.42261192	0.7365821	0.73540497	0.71408564	-0.15209039	-0.96692026	-0.41093707	-0.13167335	-0.45942667	-0.45572418	0.31048873	0.64166194	-0.9996909	-0.45193788	0.052128118	0.24005622	-0.5971743	-0.5414026	-0.12092167	-0.10632366	0.01644733	-0.3106983	0.5415427	-0.48978952	-0.5977326	0.13738914	-0.34276685	0.47130203	0.19017947	0.94256157	0.55345494	-0.82579166	0.99872494	0.6734323	0.032626055	-0.76607096	-0.66399455	0.27145836	-0.83320045	0.2875423	-0.97148174	-0.7656743	0.9771716	-0.17187893	-0.17382348	0.17923881	0.2786641	-0.8394171	0.94295895	0.212993	-0.909708	-0.8172994	0.473169	-0.7614265	0.599223	0.6365239	-0.5891539	-0.9949765	-0.9967756	-0.35339123	-0.27778232	0.18136463	-0.42470333	-0.48068458	0.7132186	-0.5578658	-0.32842502	-0.99354815	0.1194327	0.09218426	0.3910312	0.69448787	0.03588955	-0.19615601	0.24724789	0.58799654	0.78311783	-0.4970042	0.23230755	-0.9998469	0.595088	0.52315754	0.46198103	0.5805342	0.36991626	-0.093522154	0.7158612	-0.20164078	-0.9486497	-0.55345553	-0.06685343	-0.90097636	0.28309715	-0.3664198	0.24675761	0.054180574	0.94404316	-0.6562624	-0.100765824	0.2555887	-0.1438719	-0.5412833	0.69435114	0.54853857	-0.8501813	0.04526782	-0.66710764	-0.24386366	0.12615637	0.81511474	-0.8857866	-0.41205487	-0.5271228	0.15781815	-0.35447884	0.3091364	-0.6570654	0.42243156	0.99997956	-0.536628	-0.57522166	0.14529063	0.7447202	0.02461452	-0.59911567	-0.94268245	-0.4623631	0.47661933	0.8401437	-0.04160445	-0.061801758	-0.22319576	-0.039256893	0.540374	-0.23565914	-0.35476837	1	0.33719644	-0.5237006	-0.01666358	-0.39583677	-0.8693639	-0.08642614	-0.39769337	0.37008643	0.41456905	-0.5641277	-0.6717961	0.83223194	0.5658019	0.49596143	0.17811736	-0.424046	-0.14817555	-0.13357854	0.69082075	-0.9988739	-0.6944803	-0.7399571	0.04902895	-0.589522	0.39832482	-0.10930748	-0.5126505	-0.45063925	-0.04309293	-0.48627177	0.19546853	-0.294887	-0.6407454	-0.15485372	0.46847326	-0.17675914	0.35146004	0.25403598	0.6076929	0.4505499	0.99999946	0.28222406	-0.9784639	-0.24735805	0.999205	-0.94354445	-0.08964356	-0.99992585	-0.32439038	-0.65249985	-0.5088438	-0.003879474	-0.6835435	-0.40346894	0.41822198	-0.87929535	0.638518	0.33905244	-0.30181175	-0.35970125	-0.35867167	-0.025917044	-0.99996203	-0.9999997	-0.25240985	0.3023816	0.33925483	-0.16952658	0.19077462	-0.7069014	-0.10205805	-0.46210635	-0.83863026	0.8004297	-0.7077592	0.18302235	0.14756137	0.6046403	-0.007841686	-0.003232656	-0.14281824	0.88214374	-0.99954	0.49419317	0.11252249	0.3948215	0.04134869	0.37674844	-0.9012738	0.23145787	0.12315677	0.33980793	0.32608443	0.218973	0.2739044	-0.9239647	-0.7910423	-0.13456891	-0.19746843	-0.59253955	-0.45087892	0.5704347	-0.62272805	-0.34208792	-0.49321067	-0.8327208	-0.9990421	0.2693388	-0.07941667	0.09196775	-0.47414714	0.54023796	-0.42970535	0.8100611	-0.7897156	0.37364125	0.61255175	0.9989968	-0.095652424	0.7346175	-0.38245225	0.024482463	0.7462796	0.999648	0.82829916	-0.124798164	-0.46302724	-0.37795812	-0.2994096	0.75783557	-0.9990838	0.112146236	0.5056645	0.96037704	0.8044987	-0.16758713
91	0	Cc1ccc(O)cc1C	-0.570864	-0.39612198	0.07576981	0.17222293	0.22464517	0.09737277	-0.62728906	-0.4505994	-0.2512723	0.5068966	-0.825805	-0.38274795	0.24308875	-0.61281157	-0.023320466	0.11862033	-0.45550752	-0.28883126	0.1396509	0.37395346	0.28366974	-0.8949219	0.5107019	0.26553386	-0.10493631	0.5363036	0.3059895	-0.17674531	0.4447154	0.09527233	-0.5722368	0.54918295	0.28611404	-0.066226915	-0.17534989	0.08455761	0.058681577	0.6049938	-0.801789	-0.9470455	-0.9937651	-0.34429088	-0.3556232	-0.3444352	0.5872846	-0.99598366	0.34884435	-0.0369751	0.9558594	-0.16795696	0.25992855	-0.12552808	-0.112057686	0.29512084	-0.9246117	-0.1458752	-0.5834239	0.97050136	0.3947457	0.41072348	-0.70004725	0.31518412	0.5064665	-0.358116	0.3781153	0.54155856	0.16120978	0.5674468	-0.08686923	0.2839529	0.78203285	-0.9863261	-0.48456222	0.33787492	0.72254944	0.44999605	-0.26665547	-0.20372114	-0.17676242	-0.99409366	-0.8711834	0.35810035	-0.8556333	-0.42086276	0.19962084	0.53774565	0.42092383	-0.3625858	-0.08189366	-0.106862105	0.28395876	-0.19822013	-0.17536026	-0.27060193	-0.032654554	0.19520605	0.072442204	0.01061453	0.42133236	-0.12800533	-0.21977612	-0.16707173	0.04870092	-0.8175816	0.9897564	0.28376466	0.041650373	0.35350138	-0.9345693	0.0272434	-0.32969624	-0.36119896	0.28797945	-0.08676093	0.28971994	0.4970562	0.40707538	0.2553566	0.9977455	-0.12606508	-0.21651116	-0.37354922	-0.33339775	-0.21418506	-0.18300314	0.032004014	0.029486038	-0.23707734	-0.438314	0.9986118	-0.24534374	-0.08799218	-0.093458615	-0.39134473	-0.1510264	-0.023085495	0.45797098	0.41200477	-0.6139387	-0.07277755	-0.9935142	0.14413029	0.9938161	0.5964754	-0.23480584	0.19007915	0.28455564	-0.25768533	0.99772483	0.16402495	-0.018569017	-0.5955117	-0.037799317	0.11361135	0.11664223	-0.31625503	-0.5550489	0.9991375	-0.36786956	-0.59358865	-0.99153775	-0.22209264	0.0885177	0.18374582	-0.21524602	0.118190564	0.74148226	0.16931048	-0.091065876	0.004967246	-0.60211086	-0.28187042	0.5578779	-0.54894054	-0.2564512	-0.98713267	-0.86874884	-0.25654262	-0.5003636	-0.1971324	0.5670839	0.52716553	0.04139394	-0.12325534	-0.93510664	-0.15963599	0.23691797	0.11972525	-0.16322029	-0.43814453	0.8260481	0.29219478	0.20799379	0.24112701	-0.04017756	-0.45087743	0.1429264	-0.44841418	-0.12463897	-0.3118153	-0.3764807	-0.03375272	-0.5519181	0.17100193	0.007786366	0.060607404	0.44194633	0.12379208	-0.3201208	0.120918624	-0.08943578	-0.11177479	0.15377764	-0.4685167	0.21505836	-0.045261845	-0.004492783	0.28098184	-0.094923116	0.23629856	-0.13778423	-0.16967013	-0.12418984	-0.01877596	0.99884385	-0.18646744	0.13998094	0.5377924	-0.08671006	-0.4880304	-0.26571622	-0.56198406	0.52986944	-0.3221675	-0.17086656	-0.59886265	-0.5087337	0.13076869	0.45366716	0.27669054	0.93026835	-0.12910238	-0.21965726	-0.7168858	0.5762619	-0.2174698	0.16207524	0.6880187	-0.42406487	-0.25248185	-0.17068714	-0.99615854	-0.050268203	0.0472225	0.2797921	-0.45742783	-0.012316424	0.11651331	0.43799952	0.18888785	-0.69560355	0.27686283	0.17206384	-0.47735164	0.30928683	0.15390201	0.053036336	0.10513427	-0.74075246	0.4570544	-0.20919971	-0.90417135	0.29350358	0.34452385	0.1431674	-0.031468138	-0.34880504	0.03897237	-0.09430844	0.4272112	-0.03132521	0.9986092	-0.07379223	0.7661525	-0.23731449	0.15823905	-0.18611534	-0.48131114	0.45579994	0.17940295	-0.24977139	0.9990427	0.16141352	0.8206664	-0.06121307	0.028428871	0.99748236	-0.8398902	0.39218047	-0.18810415	0.29111773	-0.043241642	-0.00586196	-0.3129528	0.108091615	-0.5934849	0.99923265	0.449235	-0.65648973	-0.039657775	-0.10627658	-0.28199035	0.24636678	-0.19824503	0.90992385	-0.37719533	0.3582663	-0.118128575	-0.94506085	-0.08427195	-0.047470417	0.46750098	-0.0496626	-0.6596628	-0.4040686	0.05214957	0.0751248	-0.9405903	-0.20473668	0.13159932	0.29375455	-0.27320936	0.40365845	0.11916594	0.16372553	0.013539659	0.04129089	0.19638191	-0.2140577	-0.23169638	0.13854527	-0.44280756	0.1568751	0.53125685	0.24315439	0.5677966	-0.2886986	-0.47624865	0.22471568	0.96653205	-0.9938238	-0.01218967	-0.6581422	-0.4253703	0.13046952	0.036064688	0.28398097	0.92774445	-0.36551756	-0.553925	0.16878271	0.48611647	0.12855302	0.088353276	-0.75355023	0.28217596	0.5599569	-0.44904226	-0.23503	-0.09414529	0.37501466	0.37033278	0.3104467	0.9743131	0.045781434	1	0.2370084	-0.18257427	-0.017459579	-0.35505438	-0.93424	-0.21408214	-0.010839272	-0.70201993	-0.58032674	-0.42906824	0.3896329	0.07650971	0.15948813	0.7551397	-0.15489087	0.53930086	-0.061331157	0.16889834	-0.5472496	-0.26314285	0.061135493	0.45024353	0.87215585	0.33052075	-0.96875775	0.28037253	-0.21028076	-0.21726105	0.3797137	-0.39049485	-0.64366746	-0.41109607	-0.2411742	-0.2437558	0.531262	0.5223758	-0.24477848	-0.2544168	0.46070316	-0.22333072	0.999803	0.29122785	-0.9952787	-0.16450886	0.9930333	0.1365741	-0.032293253	-0.99443364	-0.21993504	0.80327725	0.60603976	-0.004333313	-0.7527241	0.32061946	0.019413998	0.4445336	-0.041330896	-0.5828859	-0.1335371	0.38808995	0.37892357	-0.24736741	-0.99970025	-0.99923545	-0.9942386	-0.104816794	0.001559301	-0.19907936	-0.19657764	-0.55172604	-0.7248406	0.27804157	0.067549706	-0.3614135	-0.86013347	-0.5657235	0.21284157	-0.36948493	0.3499293	0.15698126	-0.2706244	-0.99402785	-0.99972105	-0.38198468	-0.30915734	0.13782974	0.14641908	0.03272996	-0.99028414	-0.2830785	-0.5650812	-0.0966264	0.19029072	-0.046669308	-0.49507102	0.94070625	0.028597265	0.8505047	-0.13232744	0.71573216	0.1224018	-0.8308372	-0.1447213	0.13336743	-0.5592331	0.4160717	0.066307135	-0.42888367	-0.39087558	0.25331378	-0.020191675	-0.7346839	0.12563875	0.42909896	-0.42923254	0.08090235	0.1822031	-0.9794167	0.37267023	-0.06811217	0.29525217	0.19557258	0.17107084	0.9984588	0.33850417	-0.2957133	-0.23701552	0.75464606	0.71214026	-0.109287605	0.9404455	-0.037447013	0.013160303	0.102869205	0.82717353	-0.13972086
92	0	NCC1(Cc2noc(=O)[nH]2)CCCCC1	-0.28427127	0.71194947	0.005441995	-0.3500008	0.03903861	-0.2810795	-0.18842588	-0.073051535	-0.10934988	-0.079874314	0.3343908	0.34907418	-0.06109407	-0.23375916	-0.17478983	0.55976874	-0.020072935	-0.696654	-0.3808838	-0.3564584	0.49365544	-0.5423419	-0.03063477	-0.25113943	-0.5544712	-0.42779598	0.4004851	0.08229989	-0.34251553	-0.3402593	-0.03719897	0.30883175	0.59493774	-0.36310348	0.45919538	-0.78560066	0.17895423	0.10277525	0.779962	-0.24862047	-0.985219	0.14239879	0.066606976	-0.052024487	0.2696215	-0.9854342	-0.6947713	0.6880184	-0.64920944	0.16149184	0.058169235	-0.036269195	-0.519613	-0.21825436	-0.41703737	-0.14914429	-0.34428775	0.82928115	-0.2739303	-0.19398162	0.6310395	0.15417969	-0.32294735	0.4463393	0.26274395	0.15734094	0.79218304	0.19049099	0.4679425	-0.3786673	-0.9627097	-0.999458	-0.1921701	0.377818	-0.3459841	-0.20511389	-0.016271293	-0.06751657	0.84730583	-0.9994713	-0.7803044	-0.104345754	-0.80465835	0.11872651	0.38066566	0.28422368	0.04320972	-0.02742447	0.65170795	0.40600312	-0.026351625	-0.32969758	0.15271896	-0.5944399	0.9955377	0.001324943	-0.3272779	0.25102288	0.5117281	-0.4899254	0.26992026	-0.14627998	0.5268763	0.8377773	0.31667984	-0.89870036	-0.19359645	-0.30744156	-0.9998407	0.35287836	-0.6273311	-0.42613718	-0.47148365	0.44009462	-0.19084041	0.22168703	-0.4118788	0.06144638	0.9992933	0.25366113	0.13200751	-0.7515559	0.21241751	0.058825783	-0.34000695	0.26693928	-0.7242524	0.72418565	-0.20283309	0.9937124	0.1061835	0.55784917	0.6721786	0.5720084	-0.031336185	-0.86787903	-0.40814093	0.2660551	-0.21512227	0.09896948	-0.99996334	-0.075232245	0.85046107	-0.12593248	0.73597556	-0.3124552	0.10228184	0.4631471	0.9711635	0.5040032	-0.40960374	-0.54659885	0.4550732	0.5210502	0.15913264	-0.052304536	-0.09274831	0.99438334	-0.06779132	0.5321133	-0.98839855	0.49892575	-0.078680344	-0.3359249	0.6422351	0.21513745	0.1132557	-0.18853112	-0.46798432	-0.57452685	0.12492452	-0.3717963	0.20111148	0.09999479	-0.042205516	-0.63226974	0.93015736	-0.41729763	-0.4713257	0.7354534	0.3879081	-0.9787739	0.17035218	-0.18905807	-0.56557703	0.40531296	0.40111652	0.13901381	0.27312487	0.39358905	-0.08496458	-0.22419445	0.7831614	-0.48118392	0.10318425	0.15796979	0.64282215	0.22450519	-0.2509457	0.15858735	0.38946927	-0.44990695	-0.4830778	0.55560905	0.119011045	-0.19499226	-0.42312202	-0.52417016	-0.6276665	-0.99690604	-0.12263036	-0.65257895	0.38194358	-0.2998154	0.7264704	0.004337647	-0.44732174	-0.67819077	0.42596662	-0.23089889	-0.07510463	0.34126166	0.74531233	0.046288036	0.9663219	0.042965595	-0.23538187	-0.37692127	0.16055708	-0.73068017	-0.28982115	-0.4973072	0.2203206	0.5993668	-0.29295406	-0.7568845	-0.27888045	-0.70789737	-0.6760843	0.32106927	-0.89594686	0.118634544	-0.37126252	0.56109816	-0.7530029	-0.096603744	0.20237672	0.000546284	-0.16473894	0.3406338	-0.094822325	-0.9741497	0.20423399	0.061165925	0.24162298	0.4262858	0.4109487	0.2997535	0.15438801	-0.7971028	-0.3710846	0.3077568	-0.45238963	-0.6939378	0.57634956	0.24883585	0.36811075	0.690122	-0.97888285	-0.50137	-0.24706486	0.6252809	-0.24646556	0.3949166	0.017069228	0.8290711	0.09999604	0.1404627	0.6594396	0.34998214	-0.16349162	0.999594	-0.27608907	0.60027575	-0.032805443	0.43935654	-0.101816684	-0.86400104	-0.84864086	-0.6237003	0.64331746	0.9989117	0.52391654	0.123939425	-0.53647554	0.16765906	0.9999927	-0.65069973	0.5444142	0.68744975	0.25121588	-0.22396015	-0.013546083	0.7210713	0.6177117	0.6188593	0.9176443	-0.6892927	-0.06649928	0.2886939	0.5093389	0.40829787	-0.11350453	-0.5311051	-0.27327472	0.5870772	0.46381998	0.45256045	0.98265177	-0.5268706	-0.57527107	0.61159045	-0.03919876	-0.46443236	0.03248248	-0.14371456	0.33434	-0.7788922	0.46234384	0.024314137	0.5765252	-0.39693052	-0.172232	0.28296125	-0.426679	-0.90774846	0.034134172	0.08732921	0.71969134	0.3738701	-0.027678566	0.42948452	-0.10601155	0.49475142	-0.106539726	0.19137312	-0.5644567	-0.22161324	-0.57162184	0.57109237	-0.9935437	-0.5737935	0.3690607	-0.63657933	-0.6308673	-0.56405914	-0.24590482	0.99819	-0.43490076	0.47009933	-0.090381496	0.26674008	0.48690075	0.56390125	0.5289229	0.20554864	-0.54560566	0.2929257	0.35049504	0.2740034	0.04215328	-0.44526002	-0.05142125	0.32565725	0.16369356	0.99548537	-0.48108095	0.63154536	-0.029990839	0.7120836	-0.147831	-0.5246595	0.08534118	0.1390486	-0.3198597	-0.24305286	-0.44054145	0.45676774	-0.3323711	0.19462192	-0.59137803	-0.13473795	-0.5624682	0.38886002	-0.1764842	0.37345105	-0.6677073	0.82470906	0.4219207	0.5463093	0.4725705	-0.70078284	-0.1810916	0.253073	-0.08838988	-0.07947542	-0.5631953	0.19699763	0.63219804	-0.06400672	0.008770992	0.2655397	-0.04314735	-0.55070025	-0.17650774	-0.8130409	0.9001606	-0.006191908	-0.97614735	0.3909074	0.9991487	-0.004771077	-0.21510792	-0.95192033	-0.27570656	-0.23605813	-0.3148257	0.24195196	0.26109514	0.591664	-0.6339649	0.57233804	0.14026845	-0.17867135	0.22122096	-0.7762952	0.42956018	-0.7496499	-0.9999667	0.9981602	-0.9766745	-0.42675316	0.1821924	-0.42761356	0.28192157	-0.06228125	-0.43349382	-0.13278942	-0.55596924	-0.18134364	0.5782137	-0.19993432	-0.50107	0.8087903	0.65488935	-0.001940144	0.002436357	-0.91297466	-0.9999538	-0.1355824	-0.007171019	0.3001318	-0.63096726	0.51108587	0.05533818	0.02935066	0.48252705	0.19695003	0.02525403	-0.06067488	0.23474129	0.7708931	-0.6416631	0.93249446	-0.65868014	-0.18896696	0.300225	-0.34804815	-0.08335983	-0.1158396	-0.57442784	0.7614345	0.93261695	0.40328503	-0.38408962	-0.33772048	-0.6642825	0.19361983	0.104956485	-0.8273745	0.023234317	0.55473673	-0.3202161	0.25096917	0.47554702	-0.32932144	-0.2749085	0.5984562	-0.51722217	0.9997987	-0.05066939	-0.16340685	0.19688715	0.52293074	0.25168148	-0.6639142	-0.87898237	-0.3863447	0.43065223	-0.5724679	-0.28173202	-0.088108025
93	0	CC(C)NC(=O)N1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O	0.54570156	0.23868388	0.58723295	0.1986412	0.59306467	-0.51623404	-0.11861763	0.47128856	-0.28585336	-0.3630926	-0.65070796	-0.6953064	-0.5601702	0.07267334	0.86198837	-0.5975316	-0.009293842	-0.12112151	-0.07616922	-0.16509716	0.42545497	-0.43230465	0.21520223	0.22145385	-0.31200978	0.6090407	-0.53302974	-0.072351515	-0.14203262	0.36259407	-0.41529483	0.118612334	0.22648372	0.03279054	0.30523607	-0.34200403	0.080864966	0.37511188	0.9961913	-0.2954048	-0.95506316	-0.20009397	-0.51745296	0.4946389	-0.04230198	-0.8128438	0.1721836	0.27528644	0.481219	-0.49796537	0.21441323	0.16198543	-0.13422862	-0.5223549	-0.03965927	0.5333929	-0.557449	-0.2862883	-0.61182225	0.53254503	0.22912027	-0.17505531	0.33413497	0.28135416	0.07694619	0.33391422	0.66212195	-0.00644004	-0.08280907	-0.5071086	-0.92761356	-0.9886891	0.4024061	0.1881288	0.015196521	-0.10568793	0.392386	0.18493605	0.4196449	-0.9997128	-0.7084788	-0.18948744	-0.914807	0.33126324	-0.565851	-0.13278833	0.68093646	0.3634396	-0.46583232	0.09654851	-0.65047747	-0.0887026	0.26273453	-0.30260864	0.99893713	-0.48952487	-0.78791285	0.115611136	0.46091065	0.118389085	0.027423477	-0.24905893	0.8576707	0.7212444	-0.9679699	-0.3385283	-0.004407045	0.06412254	-0.8979057	0.25426897	-0.29617473	0.52269894	0.41684386	-0.2838707	0.26599893	0.2773331	0.34875455	0.0995541	0.99710417	-0.5426492	-0.47032306	0.42274442	-0.16384912	-0.52035147	-0.51767164	-0.6507504	0.2965226	-0.042643514	-0.20152712	0.9957571	0.060495343	-0.40055817	-0.48689672	0.17174466	0.59606135	-0.96705925	0.4499523	0.4475553	-0.72208506	-0.39230865	-0.99993527	0.7479081	0.61130345	0.2605184	-0.61519235	-0.22758172	-0.054546267	-0.6345309	-0.53257704	-0.50681263	-0.54154426	0.40122283	-0.42425695	0.057454765	-0.8832252	0.44637936	-0.17326783	0.71681446	-0.77315116	0.65961814	-0.903155	0.45167115	-0.30047306	-0.005303297	-0.111951694	0.22944614	0.25154734	-0.534539	-0.8110625	0.19943629	-0.35487893	0.05902819	-0.2041159	-0.51121897	0.17147315	-0.91896576	-0.47825673	0.41313714	0.40832552	0.14267561	0.45551267	-0.9810946	-0.20602363	-0.19719055	0.023681695	-0.30500677	0.21522954	0.27712163	-0.045384802	-0.61037683	-0.5557246	-0.19145766	0.26911557	-0.067470625	-0.15644816	-0.3846163	0.35740796	-0.8872605	0.20932774	-0.3193787	-0.16055764	0.061504353	-0.3111264	-0.554074	0.18641858	-0.1559897	0.62967324	0.9076942	0.69551104	-0.9998785	-0.6264297	0.27220213	-0.33185813	-0.8283959	0.060260907	-0.30447903	0.6361779	-0.12182118	-0.5184399	-0.2753924	0.5612713	-0.52067435	-0.6837369	-0.2127362	-0.95721877	0.23884979	-0.48346922	0.35034543	0.14851008	-0.38521016	-0.4884132	-0.19448668	-0.06454667	-0.24901415	0.7865621	-0.31083524	0.646211	-0.09440555	0.11369577	-0.08563631	0.8005157	0.56225044	-0.30648708	-0.8801605	0.17752986	-0.463726	-0.19125825	-0.4917776	-0.031917498	-0.7522285	0.75926834	-0.9747431	-0.17275457	-0.043143284	0.15809792	-0.14321984	-0.53896743	0.30927652	-0.1618986	-0.33242863	-0.35748085	-0.19802283	-0.23183686	-0.4943704	0.38572937	0.059897155	-0.36273724	0.66345996	0.5916381	0.13397557	0.055538975	0.95088357	0.013819866	0.18788846	-0.045091167	-0.15169513	0.3773971	0.07338608	-0.7001096	0.13974053	0.5953434	0.9986186	-0.39558426	-0.6871841	-0.15533823	-0.35409075	-0.1069455	0.08922253	-0.6558645	0.040082388	0.52959955	0.97868514	-0.5431178	0.6443071	-0.53196895	-0.2364039	0.9999882	-0.83901167	0.39011878	0.39000398	0.22396077	0.04811892	0.019942677	-0.7457708	-0.6743408	0.41774452	-0.6329656	-0.2474997	0.6944791	-0.43370977	0.1130058	0.30748716	0.32266977	-0.124047376	-0.48545995	-0.6199355	0.45515007	-0.5949592	-0.9663965	-0.555608	-0.580061	0.28250694	0.7544722	-0.22279356	0.12353079	0.06353737	-0.8451896	-0.80871266	0.34828246	0.18985696	-0.5491384	-0.512058	-0.020973539	-0.5986239	0.15903325	-0.53900886	-0.62247455	0.6182327	-0.25218827	0.46570703	-0.23284565	0.057342816	-0.19882327	0.48480293	-0.4165811	-0.40593785	-0.7758414	0.1987732	0.6294651	-0.7097128	-0.9550196	-0.34361148	0.24773285	-0.5424531	0.5219042	0.020200916	0.06910872	0.99972284	-0.45664236	0.029916456	0.18392697	0.15950887	0.51737016	0.27886316	-0.7170285	-0.085621126	0.66601926	0.031927273	-0.34918234	-0.2976496	-0.38992754	-0.35095355	-0.24685499	0.035371613	-0.499572	0.997394	-0.071403556	-0.3658997	0.42512724	-0.09951155	-0.28081563	0.17198578	0.22784013	-0.030447206	0.30606303	0.3190637	0.028236993	0.52662575	0.18551452	-0.23640506	0.15653667	0.051644985	-0.11087635	0.22934571	0.12149902	-0.23667371	0.115171745	-0.17368957	0.33242372	0.03793455	0.84204763	-0.003366782	-0.28886107	-0.027610939	-0.2749958	0.20454834	-0.72671294	0.020877033	-0.37665755	-0.64390457	0.5728707	-0.08817398	0.3628312	0.7346233	-0.27402413	0.69538796	0.99991244	0.08229757	-0.9369538	0.6885848	0.9999231	-0.48989013	-0.23422843	-0.99802285	-0.61371773	-0.33870217	0.5456262	-0.04748887	-0.6663273	-0.22964412	0.3165715	0.44335723	0.6004021	0.4729085	-0.19164845	0.05020987	0.51415855	0.7609329	-0.9999912	0.9918583	-0.66553754	-0.66878116	0.22784473	-0.13138947	-0.7970276	0.08264402	-0.8755815	0.06145789	-0.63239473	0.20196906	-0.34211913	0.24924357	0.32360137	0.035123613	-0.25029483	-0.39273435	0.12675324	0.14711519	-0.9999357	0.33396757	-0.14339058	0.030741736	0.22919561	-0.64609396	-0.40981808	-0.38628685	0.76806813	0.18585797	0.4178587	0.21736598	0.7388885	0.88535637	-0.28884298	0.71434677	0.4321484	-0.34480873	-0.3534356	0.2696577	0.20146078	0.20708162	-0.53362465	-0.2969249	-0.07805296	-0.14467059	-0.47703296	-0.49258837	-0.48824105	-0.5706906	0.4510045	0.2708369	-0.30736086	0.022886492	0.15841962	0.98164696	-0.19811018	-0.52620953	-0.44142565	-0.7811102	-0.012983245	0.99996644	0.33322215	0.6866497	0.6395139	-0.5027852	0.39842632	-0.120860554	-0.99212754	0.045661505	0.23140174	0.48097935	0.61277914	0.06323087
94	1	Oc1ccc2c(c1)-c1ccccc1C2	-0.7623366	-0.13076377	0.33856726	0.11518872	0.32840207	-0.27032852	-0.34373844	0.017654914	0.20324594	-0.46974352	-0.51183075	0.23057175	0.45716992	-0.49823305	-0.047488954	0.64140856	-0.53363055	0.40080023	0.30361718	-0.20357233	0.22354384	-0.79427147	0.07850337	-0.053163722	0.34009483	0.45715904	0.08051789	0.021715984	0.4707405	-0.202754	-0.076955676	0.39434078	0.12263072	-0.45084772	0.04139459	-0.15107644	-0.020800874	0.3479455	0.8301009	-0.96009344	-0.99233985	-0.27185056	-0.5039847	-0.31306988	0.43796584	-0.994137	0.47197318	0.15873878	0.9171473	-0.18944162	0.46164167	-0.076581776	0.6840134	0.1811866	-0.9361413	0.56914574	-0.6807022	0.9228564	0.12342449	0.5177164	-0.5161261	-0.6633272	0.22842145	0.04601923	-0.18229732	0.5800769	0.35693252	0.54041773	-0.053534627	0.5788198	0.7697101	-0.92987865	0.46801206	-0.3136927	0.49157983	-0.3793124	0.52519125	0.019522214	0.23857023	-0.99625194	-0.7729235	0.18769987	-0.78537697	0.011682851	0.04983823	-0.6526137	-0.3951426	-0.5720589	-0.28599754	-0.18912792	0.3425803	-0.018942151	-0.50036466	0.3219391	0.32783848	0.19414815	0.50551516	-0.4894104	-0.12804407	0.34178331	-0.06512773	-0.38548884	0.21363226	0.2444543	0.50861084	0.49854377	-0.38276225	0.45471585	-0.7975071	0.062452134	-0.3758015	0.09691847	0.72004724	-0.071907066	0.2347208	0.65566033	0.1107284	0.543014	0.9994058	-0.057525054	-0.0664274	-0.41525885	-0.36418617	0.22127405	-0.16057883	0.1858481	0.14908318	0.020884827	-0.45840734	0.9998297	0.026599612	0.0687242	-0.16325851	-0.28505602	-0.42861646	-0.14769082	0.68403685	0.78184503	0.27877066	-0.13877937	-0.9999783	-0.052412946	0.9947984	0.3488774	0.523518	0.25732154	0.36005598	-0.3094918	0.962738	-0.10453305	0.1407078	-0.31634057	0.5490276	0.5401024	-0.23242415	0.4190582	-0.124423705	0.9964279	-0.10566343	-0.1990549	-0.9919102	-0.28390715	0.1286677	0.16577518	0.19006227	0.09507944	-0.35556167	-0.24383047	-0.23082747	0.21246043	-0.84070677	-0.05304564	0.5946986	0.025616003	-0.07315102	-0.97441417	-0.3221332	-0.40883562	-0.16492629	0.44857547	0.49694392	0.55445224	0.4681336	-0.22182263	-0.8935685	-0.4680453	0.16044632	0.21018441	-0.052207436	0.37829375	0.8150978	-0.053948775	0.05242539	0.26405877	-0.30820253	0.044410903	-0.14321361	-0.49340895	0.756682	-0.0891365	0.25175205	0.491713	-0.40513495	-0.14571881	0.4013461	-0.35521263	0.44820654	-0.14830704	-0.21906042	-0.9970746	-0.48662353	0.28874844	0.013832594	-0.3755309	-0.028375754	-0.062036235	-0.33490187	0.076092236	-0.2323382	0.43084833	0.39962202	0.027332816	-0.4702118	-0.3858426	0.9620653	0.017477056	0.13461691	-0.0626222	0.03300063	0.09842325	-0.3291967	0.025178444	0.67994183	-0.580941	-0.27953377	-0.3347881	-0.5550602	-0.10450518	0.21247323	-0.04554966	0.90301985	-0.1318135	0.15719926	-0.44778112	0.3328485	0.014537578	-0.07531412	0.39865795	-0.11432956	0.35009366	-0.17724788	-0.5833278	-0.46796432	0.3455395	0.030798065	-0.39373007	0.12066901	0.27783275	-0.13355511	0.15372199	-0.29128593	0.1601581	0.08713875	-0.6839697	0.26334056	0.70415276	0.047929727	0.2798084	-0.2908881	0.52461225	-0.23217578	-0.19746493	-0.18002108	-0.30768764	0.24067959	0.88019836	-0.087729	0.5346282	0.00810595	0.3573422	0.21739873	0.9998488	0.13375287	0.6762695	0.18573901	-0.22222218	-0.6852712	-0.20236564	0.73278785	0.09396921	0.67720616	0.9992998	0.20268911	0.50279385	-0.39791796	0.7844588	0.9999976	-0.98657095	0.470206	-0.27782723	-0.13688523	0.16823071	-0.131448	0.13693829	-0.14689744	-0.88040245	0.98030263	0.46360582	-0.42762342	-0.57585335	-0.63001573	0.3502164	0.043538928	0.22278292	0.9351368	-0.19943175	-0.04025272	0.13280462	-0.95912427	-0.46737364	0.06459708	0.3476644	0.47764376	-0.18816155	-0.4056715	0.1951758	-0.1262763	-0.9491697	-0.1882084	0.6007756	0.57843125	-0.28976616	-0.2070549	-0.6934607	0.7220642	0.5443244	-0.16408251	-0.32075277	-0.119394325	-0.17452468	0.31456032	0.2865954	0.44388562	0.35852623	0.11017901	0.3650151	-0.39970636	0.20214331	-0.02526481	0.75483876	-0.99758625	0.3891095	-0.4540365	0.3634029	0.5078049	-0.26596308	-0.1099051	0.99954545	0.046281967	-0.14851116	0.36522022	-0.036280602	0.5627002	-0.14707147	-0.9111976	-0.2967932	0.48058814	-0.25955236	-0.2443625	0.2974789	0.2661967	-0.55300444	0.79313725	0.92489064	-0.502048	-0.99900204	-0.07442182	0.035494335	-0.43244013	-0.3965784	-0.91353554	0.63065165	-0.657765	-0.84594214	-0.74189067	-0.30833378	0.14469866	0.20102859	0.5346099	-0.33232626	-0.000658622	0.5383756	0.085130505	0.45004252	-0.09586004	0.67461956	-0.024077447	0.25455576	0.82467824	-0.48577407	-0.9512473	0.25623953	0.37869573	0.017202113	-0.17424153	-0.27248442	-0.46453702	-0.6492169	0.003059431	0.08817694	0.59647477	0.1559371	-0.27563816	-0.15627088	0.5180573	-0.26914674	0.9999194	0.40036222	-0.9724255	0.3288092	0.99983984	-0.6222738	-0.24158265	-0.9968947	-0.22385058	0.4884027	0.669351	-0.15795569	-0.4620931	0.02327479	-0.055295933	0.04742193	-0.6612925	-0.54789144	-0.3988284	0.009961073	-0.02967784	-0.093077525	-0.9999951	1	-0.987848	-0.06771218	-0.06427559	0.43732744	0.20816092	-0.47309175	-0.7370474	0.5013659	-0.17325771	-0.2876038	-0.84598416	-0.4908277	-0.036154386	-0.22875549	0.24830654	0.52696836	-0.22223932	-0.96688634	-0.99998224	-0.56351376	0.054722797	0.049695835	0.044507544	-0.4817121	-0.99560785	-0.30865172	-0.76452285	0.20847858	0.31839892	-0.12782674	-0.7118003	0.96499443	-0.15887825	0.7231481	0.015306185	0.58178455	-0.14430304	-0.79868156	-0.41107056	0.34169778	-0.58646685	-0.4844959	-0.4048266	-0.28496477	0.004537939	0.15346123	0.15726455	-0.19763581	0.37209684	0.4607843	0.028223798	-0.51577663	0.2782555	-0.24925649	-0.31169957	0.23012002	-0.46318522	-0.22842547	0.42111588	0.99947435	0.44783667	-0.06402681	0.005662841	-0.2763924	-0.091498375	0.15093216	-0.2994984	-0.34853896	0.22585481	0.03456674	0.68826175	0.2321042
95	1	CCCCNC(=O)OCC#CI	0.6646457	0.23342355	0.6395576	0.106440224	0.040658116	-0.3306483	-0.6763264	-0.49788597	0.004000091	0.37792125	-0.35359526	-0.23686498	0.4118554	0.22775994	-0.13912767	0.09440247	0.37336594	-0.10790128	0.48402303	0.7968592	0.61310405	-0.74200255	-0.25272787	0.34563938	-0.3825274	0.12292651	-0.08346178	-0.20320193	0.6307515	-0.14137025	0.45057485	0.21582094	0.78632194	-0.37639686	0.3804535	-0.16805267	0.1251788	0.48001876	-0.19837973	-0.89429235	-0.89850444	-0.4995096	-0.17821877	-0.27941796	-0.12209606	-0.99479455	0.18910232	-0.23633735	0.97248363	-0.3832701	0.258229	0.13996065	-0.10854303	0.18399817	-0.6908407	0.1246773	0.8399213	0.96877915	-0.17282023	0.64774907	-0.018362496	-0.33265606	0.4843148	0.17218727	-0.12904479	0.5142808	-0.4383087	0.32435963	0.4782534	-0.106478766	-0.53354126	-0.9952653	-0.25922385	0.7506535	0.46010002	0.2315418	-0.16663763	0.21836828	-0.27646652	-0.99991125	-0.21956639	0.41687143	-0.4453204	-0.08105792	0.37902945	0.6000012	0.6728034	0.54095787	0.2995709	-0.7890498	0.27421942	-0.2462183	0.12152154	0.54404545	0.99447215	-0.3535183	-0.4240647	0.35402066	0.36029875	0.10504279	0.007286191	0.40175885	-0.349927	0.02547492	0.9111784	-0.53232086	0.17118633	-0.44265893	-0.91659397	0.22468285	0.070833206	-0.4966171	0.48711157	0.76867104	-0.23596177	-0.12719068	-0.4489169	0.13661258	0.99813694	0.4765668	-0.68655103	0.10384202	0.8215555	0.23104973	-0.15117653	0.61776185	0.22361302	-0.4826818	0.7087162	0.9987932	0.7041355	0.4564842	0.12124377	0.18151593	0.40235913	-0.98831385	-0.2998457	0.001093454	-0.10694965	0.51687694	0.99132925	0.8344395	0.9641551	0.3916913	0.495824	0.6572877	0.037428867	-0.4248079	0.989499	0.35229844	-0.27506226	0.69337744	0.52882576	0.5929704	-0.2671119	0.055623513	-0.4007983	0.99899006	-0.23355807	0.7081981	-0.9834284	-0.74631584	0.020185392	0.21165456	-0.061876476	-0.45088255	-0.48457336	-0.39235774	0.2792447	0.48982474	0.35998422	0.46090677	0.59162825	0.12169909	0.45410934	-0.8997844	-0.5103563	-0.08619495	-0.44775885	0.22434117	0.59765255	-0.70248795	0.46322292	-0.06485199	-0.89189947	0.20465495	0.5827534	0.1389149	0.31659758	0.051220857	-0.47249854	-0.355887	-0.14277397	0.19185178	0.6667828	-0.60836524	-0.037270658	-0.69715255	0.30153173	0.15966855	-0.18113026	-0.38461286	0.6054889	0.043486558	-0.37209064	0.15222453	-0.122790836	-0.44794923	0.00446302	-0.98212945	-0.44252262	-0.21914911	0.19915871	-0.6782833	-0.39976406	0.29376513	-0.65724254	0.34141153	0.33152434	-0.21923238	0.5362052	0.020394769	0.047528457	0.4199009	-0.93800396	0.28074878	0.4412267	-0.51073956	-0.23372515	-0.50732243	-0.45629802	0.036480393	0.1433483	-0.3121016	0.49744973	0.421654	-0.37406957	-0.4226648	0.47456685	0.2506783	0.9050593	0.31929	-0.0778561	-0.39289084	-0.6570862	-0.21238862	0.65658164	0.0728142	-0.5472506	0.2933417	0.841292	-0.9998274	0.007302482	-0.025263619	-0.13805416	0.24508274	0.636785	-0.13219167	-0.36608753	-0.11245469	-0.35435396	0.5668855	-0.34282622	0.021057492	0.015268366	-0.26586607	-0.19022094	0.4487545	0.078728996	-0.37094378	0.40380093	0.9897698	0.29560655	-0.6139008	0.06550843	-0.3585833	0.10926648	0.40212673	0.07907528	0.89678085	-0.53917295	0.99917907	-0.4953115	0.32578444	-0.49310237	0.031180628	-0.34219864	-0.012755502	-0.72494626	0.012283862	0.29955676	0.9993771	-0.52490985	0.49137735	0.16469482	0.29869422	-0.9907397	-0.87201184	0.47088924	0.8024191	0.3673291	0.38481402	0.7033275	-0.10316668	-0.18020922	-0.2367924	0.995059	0.17306496	-0.035057556	-0.15920012	0.57338333	0.10995094	0.17020625	-0.18035352	0.64600235	-0.06810507	0.37378785	0.29931733	-0.957551	-0.7793882	-0.012355935	0.65852493	-0.42126188	-0.5299637	0.23214108	-0.47173166	-0.31833822	-0.897283	0.04558327	0.3421751	-0.5958387	0.8696756	-0.1937211	0.4143992	-0.53779554	-0.4484761	-0.20010562	-0.033676766	-0.31989366	-0.74995834	-0.18186271	0.024601439	-0.6051595	0.8055325	0.06246121	-0.4009869	-0.38362798	0.16886836	0.6371316	0.96289384	-0.9948966	0.43677342	0.032089643	-0.00799042	0.14790776	-0.27862132	0.053277858	0.99955183	0.33782303	0.06865738	-0.71666914	0.034457464	0.72000015	-0.019440673	-0.22010674	-0.15921284	-0.10228764	-0.11997437	0.49738556	0.61618227	0.0773925	-0.2823034	-0.52777827	0.87963754	-0.17884113	1	-0.5788471	0.27264944	-0.13660254	-0.012997992	-0.84092206	-0.04666793	0.021521062	0.6922415	0.716656	0.051476452	-0.374833	0.5723667	0.3518596	0.017784594	-0.09738296	0.43582177	-0.4083363	-0.27822158	-0.21981038	-0.8545612	0.43214616	0.45692366	-0.5024573	-0.08191436	-0.71323705	0.56498605	-0.41557157	0.44750428	-0.048291173	-0.41947815	0.14723057	-0.45970953	0.4245199	-0.7752583	0.22817174	0.110711865	0.24103458	0.34603563	0.16144395	-0.26306388	0.99994594	-0.42562273	-0.8676808	0.09398169	0.9997041	-0.14948785	-0.1994491	-0.99924123	-0.39427614	-0.3579341	-0.23124321	0.12385797	-0.11484114	0.56405663	0.34593606	0.20596647	0.10425878	0.4261845	0.031382523	0.43539423	0.71480966	0.7784848	-0.9998525	-0.99999976	-0.9920844	0.10523151	0.44066584	-0.20327511	-0.062502876	0.31951717	0.30028698	-0.37594002	0.121651076	0.3566511	-0.28987283	0.015419982	0.14154178	-0.05629996	0.23945063	-0.34608343	-0.18600065	-0.9860171	-0.9996667	-0.22131895	-0.38306466	0.15853564	0.443763	-0.3460216	-0.9580961	-0.3299687	0.29446125	0.6673178	0.7248023	-0.06951908	0.5908666	-0.8604118	0.10272242	0.46235487	0.5798127	0.124259874	0.048319854	-0.1821032	-0.18277851	-0.5990262	-0.75611365	0.23233216	-0.8634689	0.45022917	0.06336826	-0.3117386	0.30983204	-0.14561224	0.22295058	-0.04950972	-0.21615137	0.6605465	0.08111907	-0.85657793	-0.68061286	-0.57919	-0.03664666	0.64636874	-0.1273651	0.999991	-0.6012536	-0.5905574	0.12129085	-0.3496771	0.25965023	0.2656462	-0.30870497	0.20629434	-0.36052462	-0.013902825	0.28317696	0.5504246
96	0	O=C(O)c1cccc(Oc2ccccc2)c1	-0.5415771	-0.21902068	-0.6734808	0.3015903	-0.16494562	-0.39364904	-0.6460293	-0.15358102	0.51332074	0.38306665	-0.11983005	-0.006962774	-0.13966012	-0.60467106	0.26623747	0.4661411	0.11115942	0.56146294	0.35248676	-0.24350815	0.5206082	-0.6694934	-0.043612283	-0.48452684	0.1972086	0.640464	0.045837004	0.53856105	0.14856969	0.12187898	-0.21858415	0.15468234	-0.39539835	-0.36382273	0.24532521	-0.44228327	-0.30062252	0.5913018	0.8644114	-0.8956688	-0.9965309	-0.2861915	0.31634825	-0.41349223	-0.052486356	-0.98843414	-0.48585305	0.40220147	0.8460678	-0.06812814	0.6786511	0.31476843	0.2180448	-0.050638195	-0.8243465	-0.11307281	-0.52489436	0.8629668	-0.14586799	-0.072768785	-0.23715913	-0.49629518	0.5680127	0.030313822	-0.18619272	-0.10794769	0.2933969	0.70100045	-0.11400929	0.51631534	0.49103037	-0.9532505	-0.16121942	-0.52044654	0.4376232	0.34987003	-0.08146289	-0.10218871	-0.06773586	-0.99687403	-0.24278231	-0.42309442	-0.74525374	-0.46923426	0.07287692	-0.6337359	-0.005347268	-0.056815807	-0.28881907	0.26857147	-0.26060516	0.46377155	0.019751176	0.3506958	0.93483245	-0.2780207	0.38978404	-0.21141365	-0.3179359	-0.25586116	0.11343226	-0.27589834	0.16474688	0.89486814	0.1823112	-0.3792189	0.4297731	0.3392441	-0.81913495	-0.14095564	-0.43416232	-0.39748597	0.18907905	-0.49669352	-0.20657624	0.37810516	0.12735981	0.67737365	0.999186	-0.2071527	-0.020876672	0.02684072	-0.48482868	0.51583725	-0.5431989	0.088285744	-0.11697976	-0.3888192	-0.059375606	0.99962425	-0.12877452	0.3764276	0.3854653	-0.3798667	-0.079992115	-0.768539	0.23437023	0.26340228	-0.46133435	-0.024698274	-0.99986786	-0.5384709	0.96636856	-0.06741533	0.49444926	0.30906835	0.064391695	0.24382563	0.96340257	-0.18881947	0.11782633	-0.597881	0.09371072	0.31482512	-0.18251005	0.105423145	-0.47522786	0.99435025	-0.36647305	-0.6792836	-0.9892605	0.4130529	-0.27906004	-0.18736704	-0.11970201	0.030177709	-0.68664205	0.5445049	-0.5016698	0.09292562	-0.4275743	-0.20938385	0.27418375	0.3569724	0.37536156	-0.9812652	-0.7046536	-0.07772376	-0.6750871	-0.19087583	0.18226056	-0.8248366	-0.44853222	0.33895755	-0.8482903	-0.63667417	0.15765505	-0.19829582	0.096037365	0.12376126	0.39102077	0.08635043	0.47687456	0.39042756	-0.10125378	-0.297417	0.34111586	-0.4820238	0.5534778	-0.1640717	0.15816711	0.18265392	-0.26084742	0.4100868	0.62632376	0.073557846	0.33525166	-0.45443326	0.26569286	-0.99467134	0.2020302	-0.102940865	0.22466086	-0.23474641	0.11530474	0.3620769	-0.041074213	-0.08305346	0.41218293	-0.13998224	-0.2005218	0.09552886	-0.59737396	-0.44208118	0.9920286	0.493271	-0.111293025	-0.22145224	0.36314866	0.060495745	-0.3883258	0.5463473	0.51901907	-0.4252604	0.31486213	-0.50013375	-0.11179966	0.15385301	-0.005110486	0.041289516	0.8811807	-0.15403739	-0.39946762	-0.62759763	0.7320024	0.04928377	0.316641	0.46534166	-0.006684056	-0.032361634	0.3812204	-0.9738781	-0.40288112	0.40635523	0.6354638	0.059018694	-0.7073713	0.8851325	-0.013420847	0.108319655	0.27682167	0.5892862	-0.19661035	-0.6162741	0.3763397	0.16557328	0.09880471	0.48089385	0.39554086	0.3376699	-0.06983743	-0.69334614	0.36715192	0.21771611	-0.07988563	0.8797291	-0.05385302	0.13807197	-0.5002071	0.5132573	0.034624226	0.9997918	0.008561762	0.49168858	-0.13844499	-0.10164851	-0.28419724	-0.48255074	0.61887157	-0.22128895	0.33590084	0.99882436	0.117178045	0.30828092	-0.46212915	0.33613035	0.99996126	-0.97005916	-0.23747854	0.42701158	0.024676932	0.07421186	-0.6421085	-0.18182908	0.08662303	-0.44460025	0.9164996	-0.049846306	0.6360442	-0.22703879	-0.46855557	0.3754246	0.077786416	0.1511657	0.4822426	-0.3756776	0.0903304	-0.6048228	-0.9771217	0.021839606	0.337642	0.6905347	0.30876094	-0.7313622	-0.27192694	0.20547545	0.37787253	-0.9646388	0.00651637	0.23112585	0.18734013	-0.44530576	-0.060233172	-0.36352295	-0.000938693	0.11054481	-0.297439	-0.02750961	0.04200702	0.37257192	0.5199131	0.46747917	-0.12408269	0.8020463	0.19906664	-0.46941096	0.014028398	0.31098753	-0.3901786	0.60358995	-0.9969307	0.5342831	-0.38895366	0.16956349	0.023675045	-0.3955455	-0.019546352	0.99957824	0.23187703	0.14973862	0.16889416	0.056224916	0.45538613	-0.29018608	-0.82815564	0.053789858	-0.15183121	-0.56459147	-0.29734355	0.43219653	-0.45630094	-0.3180252	0.36332908	0.87261456	0.077696286	0.9986617	-0.06277237	-0.29588664	-0.3516675	-0.582622	-0.6926478	-0.729985	-0.046417467	-0.4981361	-0.14326398	0.3633189	0.28969577	0.21831621	0.33797804	0.71530616	-0.31212392	0.07712049	-0.48083743	-0.039497517	0.46431246	0.19162619	0.044419218	0.43058062	0.12647253	0.1665841	-0.57961076	0.5682202	-0.020547597	0.18619446	-0.25914752	-0.17212802	-0.13613693	-0.20135339	-0.5009229	0.122296125	0.06879437	0.081760995	-0.4363244	-0.17277838	0.3285988	-0.124563955	0.9999744	0.23804036	-0.9870292	0.043281738	0.9998429	-0.5461243	0.02970844	-0.9978098	-0.36526746	0.08627626	0.3361623	0.444782	-0.24094464	0.22085585	0.44851157	0.03538254	-0.06334329	0.18515588	-0.045681328	0.12531155	0.37220392	-0.14642999	-0.99999416	0.9910674	-0.9660892	0.33632907	-0.076103374	-0.1322821	0.038268026	-0.3764808	-0.54397124	-0.12854849	-0.3517286	0.038394265	-0.8870784	-0.5113831	0.2183709	0.23150322	0.39065173	0.21073405	-0.44847813	-0.9125071	-0.99997634	-0.27778706	-0.22323167	-0.08136769	-0.170165	-0.25000432	-0.9755495	0.33504808	-0.1922987	0.028611783	-0.35336226	-0.13361795	-0.3174707	0.9700783	0.24386942	0.8519884	0.25275338	-0.5211855	0.17832252	-0.80997384	0.2089394	-0.11279082	0.028877078	-0.14156294	0.48062062	-0.1401108	0.29912722	-0.37735772	-0.2865476	-0.050343826	0.22862425	0.44696766	-0.24428795	-0.05121484	0.08666505	0.19673513	-0.24259932	0.119077295	-0.29461038	-0.22905336	0.38707167	0.9998617	0.6321658	0.38539198	0.08065643	-0.6581093	-0.5050997	-0.45293477	-0.5466414	-0.20628439	-0.0455127	-0.27322	0.6908789	0.35216114
97	1	CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1	-0.7648181	-0.23060606	-0.07341814	-0.6229701	0.7906535	-0.6354852	-0.8061396	-0.4368207	-0.11038506	0.23796216	-0.8407705	0.40032133	0.012248928	-0.8116789	-0.07574766	0.7913894	-0.52042586	-0.007689565	-0.41853946	0.19458763	0.17806907	-0.5851329	0.70823544	-0.24391828	0.015933475	0.38268366	0.3624607	0.17179711	0.9060922	-0.16643226	-0.23773424	-0.2785438	-0.4210418	0.5297001	0.001258287	-0.55213535	0.1331482	0.29252505	0.9982583	-0.7921647	-0.27301	0.18526332	-0.25960264	0.04716929	0.24415377	-0.5900912	0.20803688	-0.07270711	0.90803707	0.05740779	0.39774054	-0.077764235	-0.37894908	0.11352503	-0.87486804	0.3626266	-0.6606022	-0.17538203	0.5286438	0.020835485	-0.33630607	-0.017143585	0.50982606	-0.4471663	-0.18470187	0.6813354	-0.28068048	0.5329012	-0.28382158	0.42341802	-0.24157022	-0.5339713	0.38240165	-0.11318881	0.87662715	-0.17212394	-0.029946946	-0.20945024	-0.5766623	-0.99004376	-0.95877075	0.48844635	-0.85732865	0.16462396	0.012137522	-0.88029474	-0.046549283	-0.45830554	-0.41131705	-0.5348792	0.5335827	-0.19489452	-0.26265118	-0.29515144	0.88916355	-0.07025539	0.5394339	-0.082957454	0.23967251	0.06515546	-0.054408874	0.43483925	0.12611564	0.93142146	-0.9937557	0.39544907	-0.42586428	0.46430987	-0.99995303	-0.28325447	-0.48273808	-0.3277056	-0.40133727	-0.011112231	0.25223002	0.78621167	-0.3148067	0.44111726	0.99006534	0.2527162	-0.51187456	-0.56950414	-0.6057161	0.24435794	-0.775065	-0.1501045	-0.32708764	-0.21267214	-0.7264607	0.99982315	-0.51702625	0.11761663	-0.03177324	0.024282692	-0.262222	-0.5907042	0.6929856	0.8943075	-0.8118714	-0.6567723	-0.9999959	0.5009453	0.93696475	-0.06337933	0.28627437	0.14757569	0.06373561	-0.08505052	-0.91790795	0.22252995	0.33609563	-0.8414753	0.4815672	-0.14004433	-0.25112352	-0.14674233	0.15713243	-0.14896578	-0.84300435	0.10051544	-0.8849131	0.045057714	-0.012405536	0.027527018	-0.20313062	0.47329417	0.66284406	0.3646718	-0.50307375	-0.6876047	-0.448528	-0.12399016	0.26874685	0.11823032	-0.27896953	-0.97397465	-0.81376237	0.36564395	-0.48419857	-0.41611037	-0.077538945	-0.23753887	0.16853571	0.65030086	0.4943491	0.031537257	0.059181027	0.5007219	-0.4173958	-0.22213767	0.4740322	0.02940117	-0.1339656	0.4975507	-0.30824527	-0.6170599	-0.13760376	0.75913435	0.35269985	0.11312927	-0.4429666	-0.32456276	-0.54424006	-0.12950155	0.5446021	0.01257439	0.37556717	0.14452237	0.16965558	-0.99984765	-0.5859585	0.39880309	0.3880285	-0.21959715	0.36405584	0.110513486	0.061691403	0.69069844	-0.5979626	0.44347998	0.07913805	-0.23650786	-0.4229233	-0.36427325	0.9999964	-0.40414017	0.13174409	0.47811383	0.36405632	0.5325903	-0.44461992	-0.77240247	0.78460693	-0.26269665	0.4768693	-0.34025794	-0.36501548	-0.37167203	0.054762926	0.6187752	0.7284036	0.39506844	0.16014273	-0.77715117	0.79012275	0.16368484	0.51777756	0.3999419	-0.28232569	0.24421942	-0.42377818	-0.7720272	-0.40226158	0.28063452	0.38456196	-0.6382208	-0.30118966	0.24329239	0.71593136	0.11705468	-0.6393829	0.3956296	-0.18994345	-0.3691723	0.30935302	-0.17847499	0.36189032	0.32179096	-0.9241487	0.37920132	-0.6554697	0.95269746	0.035045605	0.100977354	0.03516414	0.5449141	-0.08388134	-0.14823857	0.14652634	-0.2370536	0.57747364	0.9975239	-0.24098355	0.36672726	0.21145165	0.3975164	-0.2078891	-0.32320663	-0.92743963	-0.3537865	0.53227216	0.9102094	-0.15986331	0.44509178	0.08218467	-0.59135616	0.9999997	-0.99509627	0.5762272	-0.39967558	-0.20974697	-0.49032205	-0.590798	0.26271194	-0.17434718	-0.9831095	-0.9218313	-0.25678682	0.6892982	0.24574539	0.5003165	0.029532768	0.5033601	-0.27075484	0.6308664	-0.51140136	-0.37655428	-0.33127406	0.9996211	0.47417822	-0.5934328	0.09469256	0.43661055	-0.7285214	-0.7475813	-0.37527177	0.28143638	-0.8371099	0.05022914	0.037137434	0.5799541	-0.39171824	0.33790216	-0.5297838	-0.22031994	0.80118364	-0.4625591	0.5957428	-0.19430041	-0.058417294	-0.71630317	0.25932884	0.3559761	0.16558303	-0.1048868	-0.45044395	-0.79256064	-0.7751371	-0.48235044	-0.6785947	-0.93453246	0.010697536	-0.60927767	-0.108210534	-0.25477552	0.2579805	0.42379576	0.99948245	0.04539158	0.2918484	-0.23614448	-0.059605632	-0.6168492	0.28273255	-0.95494133	0.32390136	-0.13393699	-0.019103006	0.053460017	0.5170552	0.50462157	0.57074124	0.80034935	0.5762979	0.57283247	-0.99270916	0.5050514	-0.07639887	-0.3756802	0.5589936	-0.6113707	0.07248666	-0.7457005	-0.683379	-0.2940088	0.018251432	0.5141981	0.2675157	0.23972094	0.56668496	0.17354405	0.45361227	-0.18862566	0.19896647	-0.27296537	-0.17091851	-0.63962734	-0.4712798	0.7381946	-0.18272908	-0.31316656	0.4043826	-0.60964954	0.30580932	-0.34871474	-0.30553797	-0.52568465	-0.71495897	0.069394566	0.15504088	-0.06699216	0.6830902	-0.36650285	0.5164923	0.43422875	-0.57276034	-0.8229147	0.07802206	-0.9750701	0.16481492	0.9981315	-0.5539135	-0.3723393	-0.7721593	0.22547992	0.4392736	0.70752776	0.4686949	-0.64265996	0.80584776	-0.69656307	-0.8101758	-0.6355967	-0.11971576	-0.64842606	-0.2699925	0.20042999	-0.040970065	-0.99998224	0.9999994	-0.45716706	-0.16960253	-0.08085811	0.41992727	0.040436216	-0.8858047	-0.59820604	-0.15343338	-0.5212596	-0.29750785	-0.93405664	-0.5313962	0.028096134	-0.64718515	0.1761594	0.0833019	-0.250407	0.5072566	-0.9998903	-0.5040965	-0.6393273	-0.43107948	0.6010056	-0.19126092	-0.9615068	0.1864923	-0.8242518	0.35937786	-0.14663033	-0.28128806	-0.46735126	0.9785895	-0.5365314	-0.6431369	0.44514686	0.71027035	0.23103595	-0.95343816	-0.2797153	-0.50918305	-0.113404416	-0.041328102	-0.9798896	-0.29732132	-0.20227188	-0.4464932	0.06869607	-0.7345562	-0.033342287	0.7268117	-0.5942097	-0.11890737	0.49736008	0.99296737	0.19607481	-0.2977006	0.3918678	0.392507	0.30057794	0.9989443	0.7343741	-0.49352285	-0.67403316	0.39352837	0.4420357	-0.29829904	-0.99308926	-0.12554598	0.74716794	-0.28494558	0.43574792	-0.16105375
98	0	c1cc(-c2ccncc2)ccn1	-0.7130577	-0.003183615	0.13645953	0.40006602	0.50114	-0.011521227	-0.40930414	-0.36850193	0.1815968	0.14244673	-0.6368296	-0.40318593	-0.100155	-0.18456346	-0.07230855	0.641211	-0.11954538	-0.086110674	-0.12618415	0.5256228	0.394199	-0.7472273	0.3042652	0.11343957	0.34255794	-0.101495415	-0.003021983	0.5761875	-0.020334698	-0.21541452	-0.18699643	0.58698833	0.22234562	0.46534503	0.09474746	0.32979092	-0.17843524	0.18978642	-0.038157437	-0.9505408	-0.9887569	-0.41563508	-0.6139432	-0.3380614	0.49607	-0.99625725	-0.27554277	0.4931984	0.96537215	-0.370596	0.13336423	0.29245892	-0.072031036	0.03161857	-0.95244807	0.08324765	-0.57363164	0.9571013	-0.45286182	-0.46025747	0.5908556	-0.38991967	0.39232638	-0.038764153	0.030643832	0.15328759	0.21508606	0.14130542	-0.22802357	0.59278095	0.90386194	-0.9896249	0.35450113	-0.45314404	0.0626704	0.12210234	0.044496432	-0.11230474	-0.28334096	-0.9989449	-0.087358415	-0.021420997	-0.822128	-0.42814714	-0.14139064	0.17999162	0.13563897	-0.4105972	-0.52596706	0.6011374	0.092892595	-0.37541673	-0.3781077	-0.20116548	0.2647063	0.65536326	0.4768119	-0.080367066	0.04001203	-0.0851654	-0.17028181	-0.4955832	0.64194906	0.56305397	0.8925256	-0.53762114	-0.26314473	0.4634241	0.9951678	0.13089797	-0.1464534	-0.1012424	0.482831	0.33886278	-0.61896354	0.2463906	0.24644563	0.43980664	0.9990795	-0.09813683	-0.39792678	0.027668953	-0.11369293	0.27172995	-0.26340947	-0.33362693	-0.28418168	0.39812624	-0.16310814	0.9977898	-0.25063005	-0.71286505	0.06957759	-0.32051402	0.16482928	-0.93334967	0.17919737	0.20891115	-0.16265486	-0.047342572	-0.9999162	-0.04029602	0.9857226	-0.32164598	0.7385764	-0.5686919	0.22867392	-0.641216	0.99019563	0.30028096	-0.3369042	-0.6303919	-0.40497833	-0.15550959	0.021736795	0.13301523	0.36662492	0.9987906	0.5826962	-0.8784912	-0.9948672	0.16839465	-0.522717	0.011363819	0.551859	0.4422459	-0.17381513	0.051221546	0.24511231	-0.26743343	-0.725844	0.010805072	-0.32261816	-0.21629839	0.103874706	-0.9047038	-0.64384216	0.08879971	-0.57951957	-0.19376673	0.17476603	0.12615627	-0.056310248	0.6058099	-0.9194055	0.34969062	0.48080304	-0.39795345	0.06769639	0.203967	0.73062736	0.110291734	-0.07041969	0.16363572	0.44897446	-0.34922084	0.072721496	-0.7837205	0.7358213	-0.21031521	0.24678513	-0.5117889	-0.5917541	-0.56253326	0.53912777	0.5784313	-0.10340285	-0.29454234	0.5280401	-0.92502075	0.12030685	-0.17085402	0.33084622	-0.032713603	0.003737071	-0.28879255	-0.47520083	0.73493755	-0.13611083	0.07487985	-0.4303537	-0.43601134	0.42037717	0.5704448	-0.9918791	-0.15047184	-0.3905923	-0.38257527	0.050050963	0.34995377	-0.028140929	-0.1345886	0.3398494	-0.48004508	-0.3629837	-0.40361974	-0.22361752	0.4261335	-0.07947577	0.27438137	0.7454338	0.005638297	-0.04532109	-0.36113635	0.66260266	-0.1849552	0.0551362	-0.344506	0.5201872	0.020025104	-0.030539911	-0.95887077	-0.2917421	0.074924394	0.40118825	0.6335131	0.48962125	0.44979417	0.47926536	0.04994528	0.6431556	0.332449	0.40104288	-0.5943737	-0.34939986	0.16334559	-0.1932196	0.013559441	0.32632947	0.2008395	0.07035662	-0.43211392	-0.29492754	-0.034475997	0.091748096	0.86266106	0.3047264	-0.49882817	-0.17690507	0.47486502	-0.19268307	0.9997044	-0.472199	0.7758611	0.03370331	0.44786507	-0.51635414	0.1890009	0.98144805	-0.35864457	0.44860286	0.99953836	0.4968464	0.2448326	-0.3361439	0.25891608	0.9998993	-0.95468765	-0.3408794	-0.44642043	-0.5315327	0.6202922	-0.4316364	-0.23683658	0.8964295	-0.209928	0.99477917	-0.16161041	0.023783255	-0.12665458	0.060057513	0.06637353	0.17326751	-0.2693361	0.89475614	-0.25959957	0.06774785	-0.70808214	-0.99996024	-0.19086336	0.53436685	0.51912713	0.106852256	-0.017826756	-0.7286732	0.12741485	0.54720074	-0.7563838	-0.52067596	-0.6171559	0.081338495	-0.6057919	-0.061845303	-0.4856897	-0.14196227	-0.093251415	-0.010729811	0.33720386	-0.13752407	0.28992528	0.56608254	0.31881902	0.050310533	0.58315504	0.5419439	0.2704009	0.17235151	-0.1218144	-0.51052094	0.9493232	-0.9977961	0.432554	-0.6457732	-0.30424187	0.6920377	0.56018764	0.12422621	0.99547535	0.16049516	-0.24622029	-0.35272506	-0.51823825	0.40262073	-0.1151954	-0.3900614	0.30322257	0.024091242	-0.6350614	0.2796267	0.10676508	0.15342492	0.31340426	0.15755278	0.89187473	0.026278595	0.98902255	0.007688202	-0.3937127	-0.28166607	0.18678154	-0.9299836	-0.5015551	0.043544915	-0.34549367	-0.1189685	0.2286911	0.11786708	-0.5059763	-0.001877924	0.77443725	-0.085288264	0.05335325	-0.04964832	0.1494664	-0.21415362	0.42016283	-0.19743499	0.3970944	0.78763616	0.6182062	-0.8763688	-0.5409856	0.22359544	-0.3338083	-0.13164712	-0.54402775	-0.5885405	-0.32037178	-0.3352669	0.4302765	0.82180905	0.54469234	-0.5075225	-0.18601654	0.018536499	0.20400904	0.9999999	0.45038348	-0.9888158	0.22568329	0.99799454	-0.5322445	0.60041225	-0.9999188	0.15234247	-0.05893515	0.5573334	0.4937811	-0.69222814	-0.41154936	-0.44955412	0.5690719	-0.4513177	-0.2945722	0.051327918	-0.06935901	0.6084066	-0.4516023	-0.9999762	0.99624586	-0.99038744	-0.20924275	-0.56406116	0.087506264	0.23620379	0.34677202	-0.81045943	0.22990264	0.72918266	-0.038963635	-0.7186052	-0.21755135	0.2961995	-0.6434922	0.06083404	0.7522855	-0.29570186	-0.98937386	-0.9999408	0.20702524	0.16560292	0.13296722	0.089128174	-0.5988881	-0.9790266	-0.2525288	-0.120787136	0.006951764	-0.12114564	0.3451794	-0.18074878	0.9496073	-0.04658763	0.8476547	-0.43634236	0.37440684	0.031988427	-0.1235161	-0.2925386	0.49412885	-0.02509453	0.33016193	0.12123783	-0.6845133	0.27480575	0.27225342	-0.57730216	0.73704964	0.002709043	0.40848994	0.50705725	-0.40580523	0.40519556	-0.84494305	-0.3180787	-0.11544284	-0.66819984	-0.33926928	-0.17078131	0.9985998	0.5791839	0.011045625	-0.402271	-0.40646553	0.3488729	-0.105885096	0.29607075	-0.35524413	-0.4413231	-0.53802454	0.07586605	-0.3233077
99	0	Nc1ccc(Cc2ccc(N)cc2)cc1	-0.6252823	-0.05638537	0.7014871	-0.21021664	0.32569647	-0.60598737	-0.5834723	-0.37288627	0.2925813	-0.003212958	-0.742244	-0.4281338	-0.24526885	-0.65406215	0.22290863	0.74486595	0.100696154	-0.32456234	0.11043245	-0.3749984	0.5866227	-0.7773519	0.32897744	0.26305306	-0.09662473	0.016849639	0.062510796	0.42323285	0.14631595	-0.15618663	0.0000872	-0.11954038	0.6436539	0.051875677	-0.18448497	-0.3276231	-0.75054556	0.61330074	0.79169357	-0.87654763	-0.75220245	0.014525882	-0.6999153	-0.54715157	0.1197133	-0.99033946	0.14486445	-0.26489204	0.76241845	-0.52056044	0.34179226	0.043055188	0.00664555	0.01658446	-0.9171222	-0.6111285	-0.25021186	0.9252751	0.46929148	-0.10936447	0.22906588	-0.3242791	0.083961874	-0.1951609	0.38070485	0.00826705	-0.19561185	0.31663597	-0.23048897	0.37769875	0.31223264	-0.9753565	0.2767938	-0.46258205	0.5306778	0.040393602	0.16056107	-0.4655127	-0.07906535	-0.9790965	-0.9091134	0.42431253	-0.8120807	-0.23817055	-0.09366151	-0.5850345	-0.21673238	-0.43327928	0.13633974	-0.25380185	-0.12738834	-0.11833767	-0.14679912	-0.09532051	0.5713252	0.002591515	0.004710643	-0.3129789	0.5099556	0.013645501	-0.026328346	-0.48335665	-0.29713207	0.88258964	0.41287988	0.31004006	-0.34442157	0.24911381	-0.9984013	-0.068234265	-0.070556596	-0.09425525	0.2559948	0.13262607	-0.2839657	-0.024912044	0.16658056	0.5436474	0.998848	-0.0702451	0.296133	-0.45783427	-0.3564863	0.2703351	-0.3399207	0.1502831	-0.42268908	0.04377554	0.16353154	0.99968535	-0.4981758	0.31408864	0.42023087	0.041528758	-0.34907418	0.5358474	0.39817894	0.7972263	-0.73772067	0.1055232	-0.99961215	0.20423594	0.9826621	-0.25395167	0.6091116	0.32127872	-0.3731036	-0.749568	0.9610909	-0.09219011	-0.34229383	-0.64933723	0.32833633	0.12385033	0.24269663	0.5478132	-0.44471464	0.9944451	-0.026202423	-0.13817373	-0.9887239	0.114760436	0.39350882	0.09972433	-0.058830928	0.22830571	0.18761544	-0.40101376	-0.107394785	-0.14109698	-0.60004634	-0.108979836	0.5550135	-0.6033216	-0.21523753	-0.97429	-0.58855206	-0.13243465	-0.46721822	-0.17878234	0.15828104	-0.45555827	0.16374673	0.6244137	-0.6896726	-0.49276602	0.53835326	0.02481209	0.460184	0.067504264	0.7816232	-0.3460197	0.20623225	0.14457926	-0.1686944	0.48083603	0.09734282	0.58334196	0.123704866	-0.37988162	0.26440644	-0.57877606	-0.76166093	0.4875424	0.49290654	-0.54667443	-0.366091	-0.6902469	0.055117626	-0.99555784	0.13335256	-0.39509678	-0.021988194	-0.3437947	0.2529575	-0.2241386	0.09110475	-0.27357215	0.3538044	0.2473423	-0.19438072	-0.3611735	-0.57291657	0.26687348	0.99997795	0.5877189	0.28438705	0.26439524	0.2314425	-0.6084774	0.12688942	-0.37434524	0.4518448	0.17878404	-0.17191269	-0.38064635	-0.7706535	0.09189811	0.015923591	0.21425073	0.8117496	0.110459566	0.4676762	0.025418548	0.65030646	0.29655576	0.21832879	-0.120850936	0.28127515	0.12330406	-0.23151602	-0.9746355	0.37232348	0.6068583	-0.25835064	0.62791854	0.37508664	0.24541426	0.5109141	-0.1966875	-0.29852766	0.40178937	-0.47848395	-0.604509	0.75223833	0.27475414	0.508018	-0.33247727	-0.9974172	0.7320501	-0.15014593	0.097611316	-0.25780782	0.1444676	-0.2833149	0.9076665	0.37019113	0.30301312	0.10401536	0.55665743	0.22756077	0.99973464	0.22350529	0.70002747	0.37796023	0.001017741	-0.49136725	-0.540475	-0.29714516	0.13255548	0.64130306	0.99890286	-0.103555575	0.21997966	-0.20801474	0.48646256	0.9999129	-0.97349244	0.55588806	0.056847867	-0.3257086	-0.13003725	-0.6202334	-0.16226333	0.16870175	-0.8671636	0.9351033	0.0367075	0.6846115	-0.03673847	-0.4418716	0.3293575	0.17825279	-0.6608403	0.7961428	-0.3374203	0.48110786	-0.15476897	0.8987756	-0.45808163	0.34349945	-0.32123908	0.20668884	-0.21104965	-0.62445825	-0.32316548	0.63964003	-0.7544296	-0.23210473	-0.29012704	0.29218155	-0.34443858	-0.22441992	-0.2317992	0.23148607	0.11571951	-0.44132584	0.11965263	-0.34569114	-0.029121567	-0.0906578	0.11750143	-0.3696733	0.21003486	-0.17161815	0.11258431	-0.47790602	-0.004455387	-0.56006116	0.7385695	-0.9965898	-0.2535364	-0.47493494	-0.32360774	-0.30382973	0.44136277	0.07007205	0.9984991	0.20113225	0.4510136	-0.4316375	0.26656392	0.6014141	-0.11020961	-0.8390796	-0.18925358	-0.36881074	-0.6760488	-0.4617711	0.50206494	0.06459312	0.36842963	0.16782027	0.8856738	0.47608322	0.99920464	-0.27951315	-0.40821284	-0.31843993	0.29925722	-0.61600715	-0.3335911	0.42895108	-0.7423677	-0.3194455	-0.27509022	0.04213446	-0.09509503	-0.16508411	0.62865734	-0.09791341	-0.044831548	0.28602937	0.25448173	-0.43545482	0.42884466	0.029730642	0.3995021	0.35069743	0.27073514	-0.8232974	-0.23769793	-0.23976369	0.40538347	-0.41242412	-0.5116496	-0.39718914	-0.71875197	-0.24730416	0.25079653	0.73896843	0.331613	-0.38717383	0.38218	-0.14086638	-0.28795874	0.9660602	0.58967865	-0.9654069	0.48095158	0.99958205	-0.06871532	-0.3737391	-0.9658531	-0.02656806	0.13990751	-0.10720159	-0.1291121	-0.21912779	-0.16955107	-0.5634334	0.2115844	0.03645103	-0.5421681	-0.17846517	-0.11185691	0.43766677	-0.034929045	-0.99998695	0.9852419	-0.9751835	-0.27837014	-0.519818	0.07670117	-0.23847494	-0.6493488	-0.25734982	0.55996495	-0.2894897	-0.50089234	-0.8859384	-0.27867177	0.497983	-0.50548726	0.5652041	0.32769197	-0.1459887	-0.92463845	-0.9999533	-0.27893308	-0.5282231	0.048477698	-0.29887527	0.010381742	-0.96738404	-0.036838196	-0.2668634	-0.09071004	-0.28120247	0.19503917	-0.32404363	0.96338874	-0.5538874	0.34543756	0.13990605	0.2632136	0.65473175	-0.8483776	-0.2881684	0.20146784	-0.09284215	0.29714593	-0.6192886	0.44772646	0.23603183	0.0669411	-0.2009405	-0.4819262	0.34449363	0.48561415	0.24011688	0.23518695	0.47954577	0.095318854	0.37618345	-0.61707056	0.30810454	-0.7257482	0.61207634	0.99985754	0.6098566	0.07626075	-0.24715778	0.050550252	0.1640623	0.10361681	-0.67088497	-0.064429924	0.047685124	-0.3667455	0.11769343	-0.039678384
100	0	CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1	-0.5920505	-0.45237374	0.7762952	-0.47671413	-0.22937888	-0.6560682	-0.43495274	-0.011479485	-0.6626097	0.055846542	-0.75347227	-0.11100732	-0.15795346	-0.46397495	0.36986703	0.7780238	-0.37472638	-0.4858173	-0.18697312	0.16515012	-0.1585314	-0.54585016	0.51987207	-0.23907176	0.15287112	0.22465341	-0.26998332	0.18403497	0.16992797	0.08553187	-0.50306517	0.13220872	0.6032536	0.22895057	-0.69163644	0.738479	-0.7946391	0.8842138	0.98683053	-0.812124	-0.9867192	-0.10277779	-0.089107305	-0.52658683	0.1980808	-0.9307374	-0.24116237	-0.11990235	0.9594556	-0.41863033	0.25819004	-0.59801686	-0.40107468	-0.2851295	-0.8438536	-0.6907478	-0.34923378	0.51195294	-0.5842162	-0.22946176	0.09042672	-0.4898732	-0.062766455	-0.077802666	0.5903023	-0.105867244	-0.12207485	0.21248282	-0.25050125	0.8263682	0.82228076	-0.91965157	0.73704666	-0.4623026	0.8510285	-0.63376635	0.026591744	-0.55235076	0.073378555	-0.9953631	0.00243787	-0.048117507	-0.8357681	-0.51117134	-0.30325115	-0.8523888	-0.031811718	-0.59972304	0.65591806	0.29670554	0.25869727	-0.6069174	0.057759687	-0.17705001	0.5860723	-0.12056896	0.6597499	-0.3953764	0.43440062	-0.34795752	-0.08506245	0.29973492	-0.2502524	0.9360616	-0.8040845	0.60494035	0.080621056	0.43046093	0.99473727	-0.6604205	0.58958715	0.12536094	0.46617153	-0.43766963	0.040835947	0.57226336	0.26366332	0.03432017	0.9970304	0.53433764	0.4064491	-0.34726787	-0.054297548	0.14069957	0.008097546	0.018257322	0.13133742	0.000888236	0.27009457	0.99984306	-0.6869063	0.48199463	0.60415816	-0.21154465	-0.21323721	-0.935628	-0.14411835	0.77036214	-0.6996659	-0.3495457	-0.9995943	0.43083808	0.9874424	0.22989248	0.4144476	0.5596762	-0.48159087	-0.6222819	0.43218878	-0.43862996	0.04254198	-0.7254201	0.3312534	0.5168718	-0.1648104	0.24458447	-0.11525824	0.9379234	-0.3276527	-0.9570631	-0.95562786	0.3610545	0.40987182	0.25683087	0.6532145	-0.17661382	0.23355393	0.48608613	-0.08413844	-0.2177739	-0.6905753	-0.4516343	0.39620474	-0.31169885	-0.49917105	-0.9681819	-0.43857452	-0.42497227	-0.6925877	-0.45012796	-0.59114236	0.67381334	-0.40083587	0.31235552	-0.54957306	-0.69526607	0.21070099	0.056033798	0.56620145	-0.18714972	0.49480116	-0.33633465	-0.1662418	0.18715888	0.2703702	0.29204577	0.25364912	-0.9081978	0.5326187	-0.48868522	-0.24444434	-0.7310673	-0.7903107	0.41475818	0.42966545	-0.006613862	-0.18853368	-0.77677625	-0.09036533	-0.9990092	-0.09985944	-0.3037876	-0.21913895	0.60173655	0.64536196	0.3649453	0.014283547	-0.09184387	0.56184995	0.6086456	-0.031397406	-0.7485667	-0.83026373	-0.1653315	-0.982424	0.30005413	-0.03763396	0.20658557	-0.55435807	-0.04052415	0.41935295	-0.19704515	-0.22996724	0.31188872	-0.19843487	-0.35169986	-0.55530125	0.059929673	0.112463854	0.18531644	0.8840186	-0.044769067	0.1966201	-0.42298338	0.5276568	0.117186524	0.22741011	-0.46282628	0.5312636	0.16842781	-0.37989762	-0.9777458	-0.40541735	0.33027646	0.20468752	0.6123131	-0.7407895	0.44125977	0.3583016	-0.71711814	-0.12615952	-0.001488733	-0.7512476	-0.43970162	0.65542114	-0.06806442	0.3531735	0.118224636	0.6784694	0.8314629	0.11679581	0.8774795	-0.25598747	0.07044376	-0.17014317	-0.8630779	0.64386505	-0.21440566	-0.71016556	-0.047849283	-0.067298636	0.99951404	0.46176806	0.001765771	0.5668752	0.19655061	-0.30208266	0.90867734	0.98628384	0.18626371	0.67789835	0.9943772	0.33849058	0.4563272	0.5534124	0.15772946	0.99981195	-0.9907085	0.45085484	0.08380547	-0.5703079	-0.5719535	-0.2655136	-0.6647886	0.09469978	-0.8713128	0.000666521	-0.12287241	0.83961874	0.17146963	-0.72569585	0.3236375	0.17395757	-0.4774927	0.9405736	-0.44668326	0.6387411	-0.14376268	-0.9999833	-0.44310352	-0.034520224	-0.718869	0.46211386	0.7314629	-0.36753115	-0.3624864	0.10198595	-0.73175955	-0.30816415	-0.13448839	0.29494435	-0.49115345	0.56960154	0.1080777	0.09331377	0.60397595	-0.64870584	0.14259411	-0.22110009	0.36736932	-0.34880954	0.5666464	-0.16792414	0.032439385	-0.12536633	-0.3487975	-0.48371014	0.023219291	-0.5583917	0.03357963	-0.99137914	-0.18469675	-0.08594079	-0.28049934	-0.27730483	-0.06470654	0.2687033	0.99931365	-0.034807652	-0.45307055	0.19955252	0.31144524	-0.5368729	0.30819666	-0.8265587	-0.48885158	-0.33093017	-0.5965655	-0.70499367	0.411452	0.3083697	0.14416014	-0.045947764	0.6404857	0.053985104	0.9989025	-0.035795223	-0.66626203	-0.007160518	-0.37884548	-0.3634726	0.11635299	0.43479437	-0.46959394	-0.3236332	0.27949616	0.35676053	-0.51338583	0.04242786	0.3478625	-0.07076806	-0.050816994	0.3837511	-0.1645234	0.12868972	-0.027016249	-0.14993079	-0.20041884	0.35994422	-0.5443356	-0.8914821	-0.56865466	-0.3497835	0.46093184	-0.09532281	-0.840167	-0.6739536	-0.8652973	-0.17961067	0.70933205	0.62741524	-0.24916682	-0.36874622	0.28691295	-0.7211578	-0.056621753	0.99999994	0.52769554	-0.9754869	0.6742967	0.9997325	-0.110326864	0.300476	-0.9999757	0.69176805	-0.6656731	-0.13228552	-0.5612566	-0.24444693	0.2527311	-0.5364004	0.17286113	-0.7110835	0.06492942	0.06882013	-0.04930054	0.51371044	0.22595043	-0.9999863	0.9890611	-0.83363396	-0.025982069	-0.49316594	-0.059583966	-0.3284219	-0.7578311	-0.45001778	0.6483613	-0.007043557	-0.34804797	-0.8235185	-0.47413132	0.43300447	-0.47117108	0.13344504	0.26662385	-0.2120435	-0.5635092	-0.9999503	0.45125973	-0.2596045	-0.04075977	0.39617196	0.013049352	-0.99719554	0.057404965	-0.05231508	-0.49657393	-0.5611544	-0.5047719	-0.68911695	0.96804726	-0.49231914	0.44082052	0.499635	0.54725707	0.36072686	-0.5643899	0.08274489	-0.11564854	0.30579075	-0.43607122	-0.74845904	0.37952456	0.63973475	-0.19943406	0.10338252	-0.19750372	0.5683333	0.58569294	0.26789314	-0.28270942	0.33559376	0.89810634	0.2717869	-0.45128697	0.1938473	-0.749045	0.7294584	0.99962187	0.7954696	-0.07358802	-0.08743951	-0.27418405	-0.3949606	0.2962032	-0.9484539	0.47388777	0.28640088	0.30845904	0.5080827	-0.18246894
101	0	Cc1cc(Cc2ccc(N)c(C)c2)ccc1N	-0.8052115	-0.05169994	0.7969662	-0.57819504	0.41995725	-0.5768417	-0.2531072	-0.5989654	0.04124799	0.23369087	-0.9018358	-0.27665845	-0.5933787	0.105263285	-0.1789608	0.0698964	-0.045290146	-0.5271362	0.31528994	0.08900817	0.40661326	-0.6834111	0.67027205	0.22722879	0.103414096	-0.32111317	0.050950766	0.22635143	-0.18079868	0.35396636	-0.14012995	0.1903407	0.45472968	-0.41286227	-0.28692272	-0.08364376	-0.45136553	0.56058717	0.9596856	-0.7997278	-0.5648449	-0.18943565	-0.85253537	-0.5989463	0.035678037	-0.9782391	0.12169897	0.16508168	0.07757849	-0.35502377	0.19324017	0.15373163	-0.0914247	-0.118407264	-0.91925997	-0.5790349	-0.57329166	0.7684214	0.7122538	0.055908315	0.24336237	-0.19409019	-0.1894673	-0.32192254	0.5766121	0.3107078	-0.09073638	0.52787197	0.117402434	0.09049482	-0.44491845	-0.9157533	0.04640529	-0.60917586	0.49502063	-0.09725739	0.078730285	-0.26987332	0.2543988	-0.9935384	-0.81330085	0.38475442	-0.9434625	0.13816811	0.4136912	-0.8120005	-0.37135866	-0.3827629	-0.008270354	-0.4236238	0.23439746	-0.08759093	-0.16069767	-0.10744325	0.7303474	0.1049638	0.48216486	0.24020776	0.59697664	-0.08066247	-0.2807651	-0.46111175	-0.06995351	0.8161271	-0.37843448	0.2178663	-0.15917142	-0.13024004	-0.99960184	-0.3009757	-0.34722582	-0.061028123	0.08071622	0.23252241	-0.36011812	-0.4011333	-0.24326988	0.24453151	0.99750423	-0.19205798	0.111080885	-0.7453803	-0.3638203	-0.36338544	-0.33240747	-0.00932002	-0.3331063	0.09514059	0.04047395	0.99979603	-0.7541706	0.09615717	0.33624583	0.1167993	-0.11770013	-0.049633086	0.37101677	0.7625457	-0.72952414	-0.06661132	-0.99951833	0.3640208	0.97966725	-0.07423696	-0.031693738	0.12937458	-0.05310482	-0.47653177	0.8263224	-0.01118482	-0.33817887	-0.63995594	-0.22578861	0.19484262	0.3787144	0.65421575	-0.6632931	0.97043616	-0.40366638	-0.06377482	-0.9749442	0.093389034	0.69982827	-0.07669818	0.31673017	0.1713965	0.7399617	-0.6522241	0.18270974	0.15116327	-0.64295137	-0.21417268	0.3346426	-0.5278492	-0.62944907	-0.957687	-0.7412002	-0.13669899	-0.41427013	0.14332432	-0.07311465	-0.53035027	0.36603796	0.33025146	-0.23149966	-0.42703176	-0.2532667	0.10625153	0.44801778	-0.28800157	0.7425666	-0.124787785	-0.08329252	0.009910418	0.21250255	0.12863024	-0.20347503	0.57408154	0.07465724	-0.17392388	0.30602863	-0.772789	-0.5998928	0.105394006	0.6438612	-0.46482655	-0.22010309	-0.66070145	0.21909523	-0.99874914	0.18529187	-0.5263899	0.11724191	-0.24700238	0.32001	-0.22689614	0.4549268	-0.09160617	0.022191666	-0.33473834	0.09272172	-0.722257	-0.5813247	0.64143217	0.99998856	0.08745125	-0.11135897	-0.15723936	0.06557639	-0.65591383	0.44681272	-0.52631253	0.4325132	0.17117062	-0.44616407	-0.25036004	-0.5078199	0.41736922	-0.10393431	0.24666077	0.859751	-0.11389157	0.49773234	-0.3513384	0.70580214	-0.3342463	0.11694056	-0.24691892	0.48109487	-0.25984615	-0.0956093	-0.9795571	0.83871406	0.29740268	-0.14827615	0.6871866	0.7111048	-0.32865727	0.23557156	0.11034321	-0.25425977	0.66760606	-0.32856423	-0.6224352	0.6942894	0.13623787	0.18097696	-0.3799296	-0.9987179	0.20639785	-0.15810771	0.93350184	-0.26589534	0.60424566	-0.5208455	0.12463388	-0.23810388	-0.06610406	0.31634453	0.33152232	0.43638188	0.9994218	0.24885495	0.683295	0.44401917	-0.16984482	-0.34647062	-0.15126488	-0.13180417	-0.24784239	-0.15728296	0.99607617	-0.24825121	0.4025007	-0.033374757	-0.15959278	0.99989265	-0.985458	0.06504882	-0.111143924	-0.2766352	-0.12814732	-0.7414064	-0.41718724	0.4124298	-0.8838917	0.550585	0.10129641	0.5539754	0.12970014	0.07568471	-0.1616999	0.5974116	-0.6335976	0.7506926	-0.7629506	0.41085038	-0.23581122	0.89083713	-0.09293673	0.19076379	0.3697885	-0.31773055	-0.21937284	-0.71245605	0.16410871	0.75266784	-0.77597237	0.14433092	-0.71397287	0.468737	-0.37399173	0.14373015	-0.06526284	-0.6898446	0.48521546	-0.2527304	0.40685397	-0.18698734	0.18468069	-0.09767373	0.12507203	-0.39786112	-0.6195691	-0.38992527	-0.0651196	-0.42937368	-0.06474065	-0.16054054	0.5206356	-0.9932781	-0.2593508	-0.23912819	-0.35130987	-0.4071628	0.64338374	0.14260215	0.99951434	0.48354152	0.0436836	-0.22671631	0.49173683	0.39847487	-0.5800815	-0.87504697	0.5027669	-0.23280582	-0.08306706	-0.2481229	0.16842277	0.16901235	0.41058317	0.13053283	0.7247075	-0.029372804	0.9990654	-0.3451817	-0.29706386	-0.077747814	0.636766	-0.45342153	-0.7532336	0.007973481	-0.55009276	-0.42846692	-0.3312348	-0.10092547	-0.013133954	-0.23074341	0.68690413	-0.075315565	0.2391158	0.23015408	0.21611537	-0.049868803	0.07043456	0.3417535	-0.12954988	0.3859456	0.14253372	-0.78224707	-0.3373369	-0.10434061	-0.21163094	-0.000451373	-0.5486212	-0.40629104	-0.8896662	-0.40919906	0.5583516	0.6887505	0.3119039	-0.23417273	-0.5585804	-0.3998855	0.35744822	0.9509822	0.58575225	-0.98319536	0.17069708	0.999537	0.38897806	-0.51944655	-0.9848906	0.10641867	0.42082822	0.19321668	-0.3450168	0.2774175	0.049851887	-0.78013223	-0.2877547	-0.12663296	0.20512643	-0.06896889	-0.34027612	0.6727162	-0.31969252	-0.9999674	0.98754776	-0.934097	-0.31246722	-0.1262434	0.52488464	-0.3542002	-0.7893801	-0.22636503	0.6786872	0.38250932	-0.40911403	-0.9252925	-0.07236168	0.37216046	-0.4886976	0.5961898	0.0177587	-0.078400984	-0.72500473	-0.99992716	-0.13891846	-0.21543492	-0.077263474	-0.07844544	-0.23579144	-0.9673231	0.12069067	0.37705562	-0.5013574	-0.3715522	0.069216534	-0.3700583	0.9721746	-0.77409714	0.38672155	-0.5186263	0.5479292	0.65645087	-0.7133075	0.34895104	0.34304813	0.39666858	0.15010123	0.21015939	0.60911685	-0.010602157	0.3861829	0.20111817	0.008504388	0.32601228	0.5347522	0.22702539	0.46825477	0.16865751	0.76925546	0.3860568	-0.26398847	0.33897626	-0.7949133	0.4563258	0.9999147	0.6401081	0.22156818	-0.39889416	0.26454568	0.4437596	-0.15515715	-0.9238766	-0.053944502	-0.26365066	0.40148127	0.55781054	-0.32912168
102	0	Nc1ccc(Oc2ccc(N)cc2)cc1	-0.33272117	0.27465817	0.38243458	-0.107863575	0.38221753	-0.4416981	-0.7540752	-0.10965911	0.14927763	0.32956725	-0.62725693	-0.48972914	-0.117358245	-0.54350966	0.31974542	0.59000164	0.029145123	0.118536554	-0.037650395	-0.31170535	0.6496246	-0.7185613	0.50046253	0.250804	0.3400991	0.3617831	-0.32859164	0.56965786	-0.019418022	-0.21077092	-0.10959508	0.055681717	-0.13014352	0.19616292	-0.002258006	-0.32172734	-0.70427823	0.6423061	0.79838663	-0.9368809	-0.83199036	-0.25053617	-0.6370149	-0.3046692	0.27901012	-0.9867841	-0.007192069	-0.14126475	0.62949944	-0.57793236	0.61993796	0.24103169	-0.16685188	0.06810043	-0.81405133	-0.3616851	-0.4665852	0.919464	0.66743535	0.023528835	-0.059730597	-0.3067818	0.4207021	-0.33567703	-0.10796403	0.44604638	-0.07983717	0.47402588	-0.13712873	0.3248052	0.027028857	-0.968268	0.06968003	-0.588871	0.47926456	-0.017948188	-0.27750593	-0.085342556	-0.2783316	-0.945729	-0.8526571	-0.022457069	-0.78138524	-0.3458306	0.12668167	-0.58973974	-0.44596434	-0.113075055	-0.101409726	-0.3821555	-0.24005611	0.48791438	-0.24733877	0.050258916	0.89218867	-0.43672305	-0.11603003	-0.2052153	0.31790847	-0.15180732	-0.19241841	-0.66676164	-0.24383713	0.8792475	0.37818456	-0.4015282	-0.21566421	0.41502059	-0.998898	0.19433644	-0.2815363	-0.58122444	0.27537584	0.21183458	-0.26180202	-0.15951893	0.24564476	0.74532926	0.99890494	0.05354182	-0.17177211	-0.40332562	-0.26001167	0.039388575	-0.5217703	0.045326736	-0.13269097	-0.46962598	-0.1599839	0.999357	-0.22233073	0.021486532	0.24863128	-0.18244159	-0.14451395	0.41307214	0.2693511	0.6745171	-0.5371755	-0.0000980	-0.9997408	0.18572992	0.97190404	-0.6168997	0.37108514	0.15862443	-0.541248	-0.7327376	0.96797544	-0.4076046	0.3061595	-0.53187853	0.17023133	-0.41624898	0.2809011	0.52931607	-0.1973721	0.9954097	-0.38635322	-0.013108637	-0.98676753	0.021395784	0.29772598	0.34777945	-0.13436168	0.39600703	0.0492367	-0.42116597	-0.25715455	-0.3933649	-0.45848674	-0.08954608	0.48904508	-0.48931873	-0.057674028	-0.95621544	-0.64471227	-0.08544753	-0.6019672	-0.20357633	0.46178377	-0.70553964	-0.0903529	0.7226383	-0.63116807	-0.39296675	0.66373795	0.0726553	0.34319985	-0.05400465	0.75119984	-0.29679397	-0.003534394	0.122973375	-0.24137738	0.16684043	0.13578798	0.6207618	-0.14974405	-0.37711835	-0.016429808	-0.49774304	-0.6486601	0.37226307	0.46220034	-0.4934985	0.113443315	-0.62625754	0.3191933	-0.99624	0.13700077	-0.038351215	-0.22952922	-0.3322531	0.31211668	-0.08623217	-0.037215155	0.024716789	-0.035220172	0.20459625	0.003504103	-0.13868298	-0.3809411	0.40438673	0.99996996	0.73439085	0.29400152	0.49595693	0.50724083	-0.3102485	-0.18803166	-0.10230786	0.49305654	-0.20757961	0.24430506	-0.43221155	-0.77589124	0.01220174	0.5117994	0.30296013	0.8696105	0.06758166	0.073606335	-0.32107723	0.76046795	0.033027276	0.4421163	0.21570325	0.010338412	-0.055744674	-0.28065023	-0.9706436	0.2470924	0.66096896	0.002852331	0.4172678	0.122039415	0.67191315	0.4921553	0.076900624	-0.14725924	0.43834606	-0.14544015	-0.65330595	0.7891018	0.12669216	0.17534423	-0.21906282	-0.9983379	0.7210377	0.24493122	-0.042927958	0.11367783	0.23538928	-0.29709592	0.9253723	0.29084557	0.4491306	0.001811875	0.57008755	-0.24617277	0.9997057	0.13085279	0.7270063	-0.24586643	0.002342026	-0.12520386	-0.6805553	-0.54668194	0.18667348	0.39735898	0.99902946	-0.12626953	0.24556792	-0.13626678	0.5112193	0.9999357	-0.9516346	0.5316766	0.21859615	-0.51445556	0.26588908	-0.7499927	-0.22061719	0.24981911	-0.70279694	0.94790965	0.22343594	0.6457752	-0.22383508	-0.28905785	0.4238229	0.01669665	-0.6544372	0.7070611	-0.11105678	0.4640408	-0.2554964	0.9354577	-0.11995869	0.2058357	-0.33338603	0.31344217	-0.63865525	-0.2195401	-0.12646267	0.5436854	-0.78677756	-0.030778395	0.058388177	0.37061757	-0.6047534	-0.016280606	0.34723896	0.19110397	-0.017259208	-0.32474318	0.15978187	-0.13553551	-0.06972868	-0.001896362	0.16933298	-0.5905158	0.50767744	0.0950013	-0.13633817	-0.4162687	-0.019818172	-0.58450246	0.69338775	-0.99616617	-0.0755021	-0.41997507	-0.43936294	-0.24478634	0.6565836	0.26109722	0.9990106	0.52939	0.42440414	-0.41046154	0.21512161	0.8249345	-0.21279389	-0.75162375	-0.19590296	-0.33109406	-0.6248063	-0.1430573	0.6970418	-0.22212352	0.25277638	0.3180686	0.8423653	0.32791585	0.9992874	-0.30870727	-0.5342252	-0.52920985	0.13966031	-0.4406598	-0.57844615	0.12567355	-0.6943217	-0.4737425	-0.37571865	-0.089382954	-0.06403364	-0.12212623	0.6052142	-0.54244226	-0.14451253	0.33835176	0.31629878	0.000291895	0.37588343	-0.15986744	0.54159665	0.12385015	0.39832118	-0.61400366	0.14395572	-0.011886663	0.49961907	-0.32906756	-0.43739337	0.007547097	-0.6218909	-0.2728658	0.18519276	0.3864455	0.60973334	-0.51047575	0.25710446	0.41165203	-0.07631875	0.952517	0.34856465	-0.9781791	0.23504522	0.99967456	-0.114300385	-0.5072754	-0.9494241	-0.14672503	-0.052469295	0.31247392	0.23406307	-0.6874713	-0.06181736	-0.5863861	0.2554127	0.14874715	-0.31365645	-0.38884726	0.03193254	0.43989047	0.045847025	-0.9999845	0.9843384	-0.9788332	-0.16289905	-0.39874625	-0.029865261	-0.31710464	-0.4867602	-0.2495845	0.2964716	-0.30761084	0.29915288	-0.92836344	0.08568377	0.5270186	-0.630795	0.7642783	0.41344798	-0.100601256	-0.92261773	-0.9999498	-0.16948389	-0.27253324	0.28631234	-0.4185378	-0.08698122	-0.9261319	0.44944903	0.058511507	0.07036262	-0.13651021	-0.3824761	-0.3718848	0.9627155	-0.27218857	0.37626868	0.09812181	0.08354775	0.24890488	-0.863197	-0.5400613	0.17949398	-0.19286297	0.31804523	-0.25366476	0.08447094	0.18981475	0.06919674	-0.22414935	-0.40593243	0.2945573	0.5702035	-0.090482175	0.38163415	0.24568883	-0.09128607	0.101226784	-0.23674835	0.054137886	-0.49330324	0.6330775	0.9998886	0.6584419	0.38835758	-0.3793201	0.000797368	0.017217396	-0.46068102	-0.6043822	-0.004367793	-0.1849431	-0.50086534	-0.21213593	0.17721732
103	1	C=CCc1cc(S(=O)(=O)c2ccc(O)c(CC=C)c2)ccc1O	0.08785365	0.1834862	0.42411274	-0.087187305	0.6706	0.7016408	-0.31472683	-0.7878498	-0.13081843	0.13788883	-0.26819265	0.23756692	-0.7113631	0.28923082	0.44444096	0.17094341	0.19877028	0.31033278	-0.008442244	-0.027425433	-0.05505441	0.08117285	0.6692159	0.4871625	-0.63822955	0.5169633	0.0000821	-0.3500124	-0.22363149	-0.13407424	-0.5571118	-0.5052274	-0.26881	-0.03518896	-0.22858486	0.37758988	-0.30696145	0.7623029	0.9995068	-0.044062216	0.020117607	0.2307273	-0.17685463	-0.7520486	0.42934433	-0.4813014	0.27989563	0.08718061	0.9023455	0.55624616	0.41473398	0.13838796	-0.68425924	-0.32198876	-0.5489039	-0.12433991	-0.21520397	-0.6483396	0.64920944	0.1453949	-0.18382418	-0.40283558	0.4092829	-0.057871345	-0.26307678	0.39914396	-0.679239	-0.14088139	-0.072342515	0.119013965	-0.2631625	-0.8894968	0.41574746	-0.29761988	0.3715137	0.31848755	0.6993889	-0.67686814	-0.052985456	-0.998905	-0.919345	0.007132319	-0.9333212	0.07515638	-0.41457847	-0.80637586	-0.17336833	0.1374271	0.38001022	-0.42181483	0.32450595	-0.5909394	0.038646884	-0.7920962	0.9981942	0.081828564	0.6243973	0.04179851	0.28978252	0.60748786	-0.13400692	0.49974537	0.67345494	0.6317465	-0.99674153	-0.23067848	0.1523589	-0.311218	-0.9995496	0.048997093	-0.27470198	-0.44860816	-0.26969543	0.032382727	-0.22735216	0.10116795	0.04971859	-0.51852536	0.98834133	-0.25905094	-0.011485492	-0.85253716	-0.18096724	-0.27773896	-0.6240599	0.52442056	-0.0332324	-0.11217674	-0.3701367	0.9997502	-0.6959975	-0.055335574	0.4725516	-0.34765017	0.48160604	-0.53269446	0.40675715	0.75174475	-0.684353	-0.4864797	-0.99976915	0.41473302	0.7106659	0.77371866	0.73303324	-0.4204719	0.09182165	-0.3715445	-0.9551403	-0.49708968	-0.62144667	-0.9131037	0.27606073	-0.31263793	0.10108224	0.32841694	-0.4621529	-0.45350385	-0.7601786	-0.6791765	-0.8118392	0.27219978	0.08981418	-0.14561479	0.51588774	0.6394008	0.6191831	-0.48848316	0.38527533	0.14812076	-0.69120777	0.54386526	0.67136496	-0.018688194	-0.15628867	-0.9300737	-0.72569275	-0.22113971	-0.43213335	-0.25270656	-0.19150332	-0.977191	-0.13217528	0.17046419	0.6876145	0.041190207	-0.15658766	0.14407529	0.4265596	-0.025159096	0.715059	0.20351583	0.4167086	-0.31425175	0.3853257	-0.7713862	0.2123127	-0.11355155	0.53956175	0.4722131	0.29670554	-0.6242472	0.6901535	0.31920046	0.27762026	-0.6028057	0.7749774	-0.19899568	0.25506258	-0.999928	-0.1326813	-0.7332445	0.49538016	0.26960677	0.021687577	-0.00178458	0.68671966	0.165664	-0.39633027	0.29151052	0.17906716	-0.4805517	-0.3503024	0.53535	0.99996555	-0.45881996	-0.5977902	0.60199326	-0.14955013	-0.19384453	0.21242772	-0.4291448	0.4049592	-0.3239515	0.08448569	-0.13563937	-0.34027427	-0.45733887	0.63246936	-0.08390172	0.78496164	0.8761107	0.279149	-0.6536238	0.37330243	0.21937875	0.5294168	0.27795935	-0.20584725	-0.40703937	0.006203679	-0.96195143	-0.53815013	0.5307689	0.29640487	-0.32511175	0.3886142	0.19710621	0.038722172	0.23086944	-0.27933785	0.46714497	-0.17753431	-0.693659	0.47263557	0.024615956	-0.09580436	0.058961675	-0.4153002	0.01700799	-0.357763	0.9978164	0.034962952	-0.07510806	-0.47351414	-0.8000696	0.16701736	0.2815498	-0.050999384	0.7266497	0.5146136	0.9951132	-0.122476384	-0.21255541	0.12411023	-0.57929647	0.23003608	0.07915768	-0.69189346	-0.42601368	0.44622216	0.8582518	-0.3126311	0.86689985	0.55643654	-0.22265758	0.9998104	-0.9845891	-0.7251189	-0.39068747	-0.0315367	0.14679141	-0.8398085	0.60011333	-0.26625627	-0.94679606	-0.9636189	-0.46676975	0.5611738	-0.5482667	0.5782805	0.21329014	0.70042366	-0.13486537	-0.611919	-0.37454197	0.35197186	-0.29627442	0.92061925	0.7158997	0.538375	0.57347643	-0.27385482	-0.6743205	-0.35445273	0.36384463	0.21340556	-0.8233751	0.6213459	-0.5932234	0.5083367	-0.29443437	-0.16408429	0.23393434	-0.41581598	0.3960901	0.46072844	-0.29887867	0.61886084	0.09583834	0.17000037	0.28698754	-0.11108252	-0.11373968	-0.08315778	-0.035202038	0.284604	-0.25004074	-0.2910546	-0.67926985	-0.87221664	-0.24646874	-0.5796016	-0.5378094	0.5885296	0.36096644	0.17591316	0.99988514	0.47926477	0.8434451	0.46084976	0.06804909	0.22946055	-0.30710354	-0.8222642	-0.15389547	-0.62211466	0.40056252	0.56030756	-0.08041079	0.3558749	0.06846587	0.37072247	0.23307784	-0.4282821	0.9926587	-0.012014882	0.19077165	-0.34923124	0.8998282	-0.6427339	-0.34251875	-0.79585165	-0.5129104	0.08637184	-0.036750227	0.17232911	-0.20402707	0.67622304	0.6143739	0.64570695	0.40708467	-0.65391475	-0.8305603	0.6161877	-0.8001366	-0.04930232	-0.60206187	0.5361538	0.21482578	0.5937555	0.14649674	0.22736958	-0.51723075	-0.2029906	0.041801456	-0.020247376	-0.50186306	-0.20041536	0.15659814	0.3119637	0.53013974	-0.065867834	-0.47235322	0.1420974	-0.41429955	0.951525	0.74741375	-0.9849284	-0.27927652	0.99944216	-0.12929831	0.0775334	-0.9884848	0.030523831	-0.027672237	0.69570625	-0.6204964	0.4328435	0.5829352	0.16629289	-0.5698375	-0.36555848	0.47998285	0.33296975	-0.6096118	-0.010874365	-0.22015223	-0.999971	0.9959605	-0.5328273	0.20199023	-0.78593665	0.65855765	0.3221813	-0.673105	-0.56296444	-0.58305573	-0.19214568	-0.26260754	-0.93173033	0.06650572	-0.051963996	-0.060990445	0.15437323	-0.040150627	0.10495094	0.65733105	-0.99978644	-0.37540123	0.3731837	-0.09419173	0.44662938	-0.629096	-0.68318844	0.8997807	-0.20099728	0.42932624	0.2491124	-0.5136427	-0.43510464	0.96520096	-0.5321856	-0.71418464	0.17159264	0.33338383	-0.28120244	-0.44106105	-0.65980834	-0.1818051	-0.1566914	-0.069694914	-0.9935828	0.7431749	-0.2652242	-0.6499669	0.39425698	-0.593857	0.074702024	0.58374316	-0.2960844	0.52959186	0.23614314	0.99577993	-0.15702946	-0.097652756	-0.027330827	0.14466166	0.1443932	0.9999198	0.023252632	-0.34842575	-0.6347747	-0.24527065	0.7521196	0.32342848	-0.9974476	0.1467827	0.41244936	0.2874324	0.59482706	-0.43255827
104	1	CC(C)(C)CC(C)(C)c1ccc(O)cc1	-0.730799	-0.15064222	0.011714327	-0.39435753	0.53627926	-0.44539344	-0.7941736	0.4049641	0.002561377	-0.49590465	-0.78540665	0.16871312	0.18206686	-0.24671395	-0.5451784	-0.55152977	-0.12240997	-0.5692938	0.45861977	-0.47145653	-0.32666337	-0.73537636	0.34352273	-0.28619462	0.1953156	0.70745677	-0.113614306	-0.11191972	0.8998222	-0.09420926	-0.37547433	0.6860772	0.4697774	0.14547963	-0.57153386	0.7504013	0.022292389	0.5840291	0.93714195	-0.86563826	-0.9953665	-0.257989	-0.036519337	0.26566806	0.3775511	-0.98095757	-0.26550522	-0.31090748	0.96622115	-0.27078	0.76155597	0.18489352	-0.384757	0.2385041	-0.96812814	0.61458206	-0.4193349	0.74857485	0.6093357	-0.06812084	0.09142639	-0.4735407	0.17550795	0.5664774	-0.15519339	0.07712356	0.38572913	0.68281	-0.30531734	0.44396996	0.631278	-0.647361	0.05848385	0.4405506	0.8177493	0.047019962	0.54751223	-0.50803006	-0.6427726	-0.99883586	-0.5565641	0.4265672	-0.5043761	-0.5838996	0.21278687	-0.85650253	-0.3629086	-0.5492315	-0.28590125	-0.018072492	0.23039	0.12099954	0.29341722	-0.48534518	0.363749	-0.1728245	0.8013598	-0.036951877	0.5025928	-0.06255762	0.5625576	0.060250398	0.59905255	0.28243005	-0.226252	0.5985472	-0.18559054	0.4496999	-0.94872946	-0.38123286	0.20271757	0.03929947	0.059009627	-0.20703922	0.4218379	0.72769064	0.4137382	0.16783307	0.99851197	0.3187669	0.21914996	-0.34429324	-0.18579586	0.33290163	-0.5829686	0.50351727	0.23612587	0.34902796	-0.6002703	0.9999469	-0.08977767	-0.038288448	0.03184648	-0.31928584	-0.6253575	-0.84925324	0.16103844	0.7705602	-0.80040216	-0.61876833	-0.99886465	0.7470074	0.9954311	0.46936965	-0.18470865	0.18921708	0.23891318	-0.35813922	0.89246434	0.09877959	0.11054469	-0.8387163	0.56472325	0.17347918	-0.472705	0.18662418	0.22701427	0.98759085	-0.834179	-0.39993224	-0.973781	-0.058768068	-0.389725	0.63039887	0.08246091	0.22255489	0.8054443	0.47545958	-0.19396237	-0.4201092	-0.6740448	-0.09801221	0.4877905	-0.21518697	-0.2915622	-0.9907028	-0.6950629	0.47456902	-0.5619692	-0.34720623	-0.036817193	0.6593458	0.3290313	0.32451218	-0.4957288	-0.19063096	0.5748604	0.39805162	-0.48777723	-0.4813303	0.17548096	0.20186892	-0.14580216	0.6680605	0.14942406	-0.47966644	0.11451169	-0.44337657	0.40100622	-0.473964	-0.22922128	0.06907483	0.12119886	-0.5152844	0.35107926	-0.526371	0.26644498	-0.1280323	0.21996108	-0.9975556	-0.13869339	0.35111707	0.59576195	-0.10547261	0.7061319	0.53379416	0.4012326	-0.32541493	-0.37517232	-0.03352869	0.054127827	-0.45547342	-0.30071414	-0.62991387	0.9975197	0.5890473	-0.009662284	0.08224881	0.08292657	-0.37057906	-0.015399304	-0.07117008	0.34376585	-0.07481976	0.24461566	-0.13750659	-0.002388722	-0.5786366	-0.5434751	-0.055428475	0.9237761	0.5387634	0.30194998	-0.353967	-0.38640013	0.253214	-0.009305916	-0.15782751	-0.07864631	0.23907389	-0.13534817	-0.9984042	-0.29137415	0.67324185	0.22903845	-0.5547097	-0.5742301	-0.027925601	0.5043045	-0.5338735	-0.52778345	0.60342723	-0.5416079	-0.5869716	0.49813408	0.17723902	0.6724198	0.3557446	-0.4443019	0.21178702	-0.68979496	0.48609206	-0.06537685	0.28290308	-0.5215884	-0.28881505	0.04720795	-0.29147628	0.14481652	-0.78655255	0.6052973	0.99938947	-0.16717166	0.44954386	-0.003061866	-0.25537238	0.27863434	0.5424521	0.7910543	-0.031922285	0.20664234	0.99784994	0.24091718	0.78432584	-0.054283153	-0.5790988	0.9978565	-0.99692833	0.44540536	0.46801028	-0.13911033	-0.48261133	-0.46293148	-0.23919366	-0.49771735	-0.8941363	0.8738727	0.33075368	0.2925787	-0.10804229	-0.027345315	-0.0957837	-0.16053712	-0.5404551	0.93348086	-0.52232033	-0.20872302	0.0695298	-0.95978135	-0.14205225	0.13918951	-0.16205034	0.7049795	-0.51449347	-0.47850335	0.05477018	0.23468135	-0.9733338	0.27912953	0.18005034	0.074326746	0.024565719	0.07499523	-0.314646	-0.13789865	0.8860928	-0.18351428	0.40808532	-0.3438034	0.078461215	-0.23673601	0.03999115	0.7707729	0.16221449	-0.5289612	0.24272765	-0.72965544	-0.49787354	0.07305268	0.6316119	-0.9921928	0.091070935	-0.45327127	0.1620717	0.3993091	-0.30620405	0.38206652	0.9995591	-0.12058799	-0.609423	0.23316492	0.30431566	-0.84449244	0.10781524	-0.9105276	0.27036333	-0.11239782	-0.11556279	0.30487055	0.23893864	0.61528087	0.25873268	0.41385794	0.8765143	0.6589367	1	0.06224233	-0.52646494	-0.39061743	-0.025212886	-0.812312	-0.2972589	0.23543675	-0.3965143	0.11883156	-0.26201308	0.25769585	0.578219	0.25322112	0.49997413	-0.11106038	0.29018578	-0.265063	0.61715674	0.21183328	-0.86300635	-0.6663823	-0.4168986	0.36901265	-0.34038934	-0.9683328	0.08317476	0.22314839	-0.22029233	-0.18054041	-0.10842281	-0.74812055	-0.6193925	-0.57145405	-0.09742238	0.53542334	0.42735833	-0.42505774	0.1167258	0.07053487	-0.5662373	0.99993736	0.44536892	-0.98952633	-0.39514068	0.9996222	-0.7446286	-0.13095826	-0.9990222	-0.24081556	0.39029178	0.23484549	0.2570374	-0.38886714	0.38820326	0.17088811	-0.7652589	-0.5020438	-0.614432	-0.5521369	-0.43837467	-0.44820565	-0.09629898	-0.9999514	-0.998268	-0.96157306	-0.4360367	-0.3926598	0.20710073	0.24782465	-0.721459	-0.41365117	0.06291115	-0.43761897	-0.3186957	-0.7347365	-0.51686674	-0.06585008	-0.10045306	0.37733305	0.4722712	-0.3300889	-0.80587196	-0.99993217	-0.031948466	-0.3629204	0.06796811	0.46587503	-0.43312338	-0.996984	0.1509843	-0.563719	-0.079040416	0.3146934	0.33385894	0.4025268	0.9433807	-0.54083854	0.24509174	0.53070825	0.41836035	0.13697128	-0.7773532	-0.3286319	-0.060823612	-0.43170178	-0.45239398	-0.4243225	0.18264818	0.2071811	-0.63951313	0.17106047	-0.3908862	-0.18811059	0.53349507	0.07185641	-0.5549532	0.1680485	0.41073924	0.5170003	0.07853294	0.19978812	-0.33652914	0.00884164	0.9998019	0.74402755	0.17789254	0.014774479	0.36166626	0.484877	0.10438776	-0.77014446	-0.33387804	0.39661	0.4965801	0.65508854	-0.61479455
105	1	CCC(C)(C)C1CCC(O)CC1	-0.7485853	-0.26324356	-0.07068732	-0.20981902	0.3030993	-0.04709686	-0.24871334	-0.07354734	0.008840739	-0.27094707	-0.8872445	-0.3007808	0.009194221	-0.26035574	-0.2519993	-0.4206208	-0.43704233	-0.47284502	0.26538852	-0.71178603	0.015297767	-0.7425447	0.14372128	-0.75964165	0.11296925	0.69884664	-0.23538326	0.2564606	0.67643285	0.0369795	-0.38289014	0.76214874	0.7791849	0.18800245	0.07293158	0.3697988	0.5075164	-0.06353087	0.006219016	-0.90200853	-0.992628	-0.6482258	-0.001907861	0.073529474	0.056690913	-0.99504006	-0.025799492	0.29729444	0.9789803	-0.41040224	0.8669156	-0.06101888	-0.5674222	0.35060453	-0.9476945	0.023741541	-0.09651383	0.9601059	0.46972686	-0.37640873	0.18410604	-0.6192398	0.3609454	0.33203596	0.17976874	0.3225966	-0.19899644	0.33476672	-0.1844874	0.50914854	0.37164992	-0.900194	-0.39091378	0.87874633	0.5501031	0.44480202	-0.18235022	-0.26300275	-0.30748135	-0.99859273	-0.57457286	0.63423526	-0.19512866	-0.0770096	0.337113	-0.41313663	-0.092704095	-0.54287434	-0.30771506	-0.08939072	-0.05916717	0.6481281	0.23255545	-0.4355066	0.5420848	-0.1811829	0.6058462	-0.029919	0.45791447	-0.59680516	0.10897875	0.2661386	-0.1772666	0.082566194	0.8680855	0.6702789	0.019765817	0.5048016	-0.85440516	-0.3895089	0.11347389	-0.29626843	0.24986076	-0.40197587	0.51887536	0.4294925	0.096270144	0.26443797	0.99914354	0.45752648	0.35297692	0.23640804	-0.36756283	0.16450667	-0.18440059	0.41496277	-0.37616128	0.13157302	-0.6558102	0.99976325	-0.39053497	-0.020913713	-0.35048574	-0.2461043	-0.6195532	-0.77486235	-0.13992475	0.68466926	-0.4828878	-0.5072736	-0.9987649	0.33727932	0.99516803	-0.2556308	-0.275445	-0.46965513	-0.1319485	-0.22016853	0.98950714	0.36883378	0.2685223	-0.8076216	0.6312596	0.6223981	-0.66614306	-0.5531876	-0.14961047	0.9979511	-0.55414885	-0.36227942	-0.9921985	-0.016516715	-0.20710908	0.17291114	0.369614	-0.088478	0.63918823	0.15461902	0.05967136	-0.15523164	-0.44806835	-0.2698468	0.48368445	-0.48968682	0.02964814	-0.99161935	0.85604835	0.1577985	-0.37298045	-0.3248705	-0.21717879	0.58398396	0.058490068	0.5602855	-0.7790822	0.016741175	0.63937074	-0.20062721	0.20450193	0.4687171	-0.08324966	0.25616106	-0.41111103	0.07467155	0.20666842	-0.7309649	-0.07079049	-0.49900588	0.19688423	-0.13802493	-0.42015687	0.24757469	0.62888294	-0.55709994	0.39394972	-0.22264734	-0.027285093	-0.29895762	-0.039382465	-0.9657301	0.05440582	-0.15231113	0.27401775	-0.6032214	0.32251358	0.50931627	-0.08764323	0.36637855	-0.45407954	-0.31264138	0.050141614	0.22863275	-0.15998283	-0.38321227	0.9945985	0.5385941	-0.42369735	-0.10987167	-0.11296053	0.018315839	-0.085915536	0.25549686	0.4419333	0.41005698	0.1822761	0.4178414	-0.30064067	-0.35694242	-0.55458814	0.10957448	0.90439576	0.75020295	0.29793414	-0.14616434	-0.6574849	-0.029280417	-0.47142696	-0.54713285	-0.5127684	-0.4667996	0.007178335	-0.99827194	-0.44324997	0.62823486	-0.16153882	-0.13614573	-0.48762453	-0.482049	0.49453974	-0.38784012	-0.35139546	0.6368352	-0.5908694	-0.61745864	0.6984323	0.09313326	0.0711088	0.5522535	-0.3605223	-0.19749013	-0.75996006	0.22494304	0.35962126	0.67959344	-0.49748203	-0.27795663	0.3009237	-0.55335224	0.09280486	-0.22407009	0.459793	0.9993876	0.5221215	0.349259	-0.4994351	0.26795533	0.031796537	0.30318207	0.60715693	-0.013263956	0.27820244	0.9992005	0.30120665	0.71492475	-0.4265864	-0.017680034	0.99898756	-0.99075717	0.5915456	0.059163183	-0.25668058	-0.044988915	0.058702074	-0.050377283	-0.6448065	-0.7829483	0.99116004	0.38015556	-0.044659667	0.6300122	0.56094015	-0.110368796	-0.31491253	-0.48745996	0.9215223	0.5925282	-0.2637305	-0.10311099	-0.98955184	0.6399153	-0.056304254	-0.08320679	0.6170754	-0.6806671	-0.2924001	-0.37124243	0.4212128	-0.97147375	0.019384854	0.03611774	0.036041036	-0.33211955	-0.23553474	-0.17088862	-0.17297962	0.6393838	0.5711451	0.037956662	-0.049127337	0.08484792	-0.10792745	-0.04606407	0.721872	0.42317024	-0.071613625	0.3608761	-0.5724204	-0.2179616	0.22716413	0.91476023	-0.99419105	-0.03401272	-0.17775345	-0.57517844	0.52576053	-0.17403165	-0.091399446	0.9992791	-0.51756316	-0.6521593	0.29602844	-0.15701085	-0.45680037	0.13434234	-0.5994651	-0.34220615	0.08169783	-0.19091733	-0.006018051	0.5765911	0.3285484	0.30125943	-0.16119745	0.90667766	0.7294303	1	0.25014508	-0.49235645	0.007274413	-0.44529802	-0.7787562	-0.70448947	0.16695035	-0.38777652	0.6981155	-0.46948192	0.19949715	0.29769704	-0.26538107	-0.6095676	-0.20311886	0.18933521	-0.42155594	0.14723843	0.6340077	-0.21940567	-0.7190058	-0.36880252	0.6551407	-0.11617811	-0.968531	0.11336733	-0.31907475	-0.03362134	0.4667458	-0.53124017	-0.36734617	-0.60278064	-0.56809515	-0.1537929	0.18408172	-0.1620655	-0.35936838	0.1622929	0.5418072	-0.22303432	0.99996763	0.34517136	-0.756556	-0.072004095	0.9991195	-0.028294092	-0.4957325	-0.997951	-0.117658	0.4364397	-0.056339823	-0.059527747	-0.5514453	0.29754087	0.39476976	-0.563556	-0.07097559	-0.33027694	0.120103024	-0.19204168	0.03387297	0.24949655	-0.99988014	-0.99883515	-0.98894763	0.05399409	-0.6297718	-0.37856057	-0.15986283	-0.5365459	-0.001636958	0.27682805	-0.3111955	-0.25049	-0.044210486	-0.45114946	0.0226772	-0.51965857	0.5730015	-0.08506325	0.014825478	-0.9768125	-0.9998952	-0.3192325	-0.3558513	-0.04294505	0.36309278	-0.41984463	-0.995765	-0.16785707	-0.4593237	0.016570114	-0.012692427	0.3179196	0.2258353	0.6627765	0.03482608	0.881582	0.7663088	0.3799192	0.004554238	-0.6533205	0.12853636	-0.42129976	0.042740438	-0.13659608	0.51673687	-0.023109613	-0.3185907	-0.21056208	-0.15098162	-0.41805613	0.115996756	-0.8340627	-0.3282791	-0.5227782	0.15804811	-0.75680715	0.28969288	-0.7282411	0.24355063	0.39819187	0.5351417	0.99991226	0.43423587	0.12682249	0.4952192	0.36708775	-0.40513837	-0.15864009	-0.1799888	-0.05618977	0.35857448	-0.3200581	0.8378991	-0.3106046
106	1	N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1	-0.35470518	0.055688187	0.2980979	-0.17129496	0.4260875	-0.7434208	-0.4360753	0.15729912	0.5518515	-0.14336084	-0.31721982	-0.33159092	-0.002687005	-0.8687364	0.18156974	0.08192263	0.55708396	-0.17025514	-0.108069256	0.18655346	0.4874378	-0.32037523	-0.36266616	-0.48011407	-0.22979046	0.28293636	0.42872697	0.36693984	0.61485577	-0.522873	0.46218592	-0.72678095	0.7362266	0.46833014	-0.2785464	-0.31182688	0.49893814	-0.09196168	0.99796	-0.74420726	-0.53441066	0.25904822	0.3565459	-0.24963689	0.090436004	-0.22030735	0.097373515	-0.22237796	0.9171281	0.21045817	0.27219722	-0.007994775	0.37091318	-0.34052506	-0.83470637	0.33397996	0.055394612	-0.24519663	-0.06420957	0.23616129	-0.10537211	0.25690174	0.37586588	0.15902501	-0.024709204	0.054985754	0.30184692	0.8425097	-0.44903776	0.47821984	-0.6413141	-0.8045093	-0.09188375	0.23431364	0.61132395	-0.48174068	0.79905	-0.60633266	0.16821347	-0.9990263	0.31670466	-0.49862581	-0.9075113	0.086469725	-0.68652934	-0.9100954	0.4535247	-0.41408613	-0.61504865	0.01595527	0.0812064	-0.34467715	-0.1432268	-0.3749411	0.9906621	0.2511057	0.48870116	0.063701294	0.47184777	0.100749984	0.47494102	-0.5535507	-0.20531464	0.9835598	-0.99390775	-0.8127421	-0.5972345	0.14222826	0.9817077	-0.50590163	0.15747082	0.34354514	-0.07645781	0.6992459	-0.6529155	0.3765588	-0.16916458	-0.10984322	0.9814059	0.12307462	0.3802314	-0.4944024	0.35703608	0.3432131	-0.2725022	-0.65614736	-0.56095964	0.25114664	0.36277822	0.999824	0.28002903	0.46646395	0.37886977	0.05377575	0.503396	-0.9928181	0.1299215	0.04200083	-0.054767802	-0.41339386	-0.9999926	-0.22095053	0.8304197	-0.3376458	0.8855526	0.4908649	0.02527556	0.49768665	-0.9151558	-0.21531346	0.13104533	-0.720338	0.5191455	0.5723872	-0.009358102	0.028228993	0.27545506	0.03956079	-0.072405815	-0.9257957	-0.6889718	0.39332056	-0.3836543	-0.6017819	0.4296527	0.20458154	0.06707298	-0.08611176	-0.12192081	-0.19792032	0.29369497	0.6165802	-0.6453892	-0.021604443	-0.1729963	-0.55419445	-0.51376635	0.50864285	-0.5265722	0.205163	0.03927841	-0.75232357	0.17812361	0.41778314	0.35410875	0.69006115	0.036649864	0.052491687	-0.48492566	-0.19963527	-0.57735586	-0.6651501	0.37574843	0.18961015	-0.09385836	0.11468281	0.12535633	-0.2861961	0.19630976	0.26587835	-0.218629	-0.31349415	0.013575486	0.44531992	-0.43857276	0.18004899	-0.07220824	-0.3522019	-0.56765705	-0.99980146	0.57355607	0.65359235	0.5610821	0.09421844	-0.28109244	0.3516982	-0.55442435	0.5425273	0.6525059	0.14654621	-0.31615433	-0.29544985	0.46530113	-0.420553	-0.9540528	0.17926663	-0.13866045	0.042643994	0.23780605	0.11150767	0.20741773	-0.24328926	0.72519594	0.70081204	0.21618949	-0.82558125	0.24914376	-0.79829997	0.29824182	-0.54250795	0.85540795	-0.06633953	0.5031165	0.2781891	0.45666793	-0.22840883	-0.5177289	0.12555552	0.37158212	0.71224976	-0.13139547	-0.733274	0.43060467	0.3889748	0.10042122	-0.41807958	0.16852094	0.20700903	0.608053	-0.24732082	-0.5492122	-0.23760797	-0.57631505	-0.008772873	0.3669984	0.22477502	-0.004943566	-0.19884996	0.7861125	-0.1705858	-0.64227253	0.990904	-0.72366995	0.46001497	0.22623926	0.91866225	0.72097087	-0.8255487	0.316205	0.16024001	0.9189796	0.9965379	-0.25102225	0.39780912	0.6073022	0.82498443	0.44269407	0.880079	0.7855742	-0.3503341	0.4403415	0.91155654	-0.20835117	-0.21265551	-0.31909588	-0.6624608	0.9999989	-0.9900035	0.3234647	0.19830827	0.10882855	-0.23688117	-0.4262084	0.42516407	0.8822024	-0.25301993	-0.96686286	-0.20174511	0.8263011	0.5432464	0.4263454	-0.002219473	0.06620018	0.22938873	0.39422876	0.14470828	0.3364837	-0.02044471	-0.9999286	-0.35879114	-0.7994888	0.3089181	-0.73308206	-0.14504965	-0.3823116	-0.47837368	0.6363111	-0.7458491	0.086873114	0.5615274	-0.2933564	-0.1339842	-0.48083976	0.26453736	-0.3245985	0.7194067	-0.21953638	0.55786717	-0.3375029	0.3548066	0.008558881	-0.8073895	0.58565456	0.536551	0.34506106	-0.5127976	-0.930692	0.5520569	-0.7113431	-0.77942497	-0.93654436	-0.35561234	0.11466089	0.102322504	-0.6612646	0.69907254	-0.07352445	0.9995377	-0.26911047	0.25568813	-0.35934803	-0.20175101	-0.078898795	0.4688589	-0.6541645	-0.31353834	-0.022333413	-0.3375262	0.3566055	0.53606266	0.276283	-0.17603555	0.08979289	-0.51584303	-0.026025165	-0.9910249	0.7411862	-0.18028447	0.50313956	0.3192676	-0.038212698	0.31914824	0.38171163	-0.8196252	0.22217034	-0.45307288	0.05613698	0.21738793	-0.72804964	0.24264993	0.104331054	0.29789102	-0.23060763	0.6156925	-0.26222008	-0.5038487	-0.47462755	-0.28136846	-0.24725075	-0.31937563	0.18490438	0.14282395	0.114262275	0.41887966	-0.34477645	-0.14226732	-0.7690092	0.56099594	0.11607386	0.4359718	0.71018195	0.64742637	-0.05215329	-0.06261329	-0.26499343	-0.30826187	0.99999976	-0.06619642	-0.97239244	-0.6862781	0.99469507	-0.7482801	0.41112828	-0.9999334	0.43184966	-0.58522016	-0.6831986	-0.20283097	-0.5381534	0.24953566	-0.3478561	-0.3188465	-0.22110376	0.114588484	-0.43393612	-0.9138895	-0.3763645	-0.695254	-0.9999488	0.99999964	-0.19842051	-0.6289568	0.29361793	-0.09377823	0.5932383	0.12392871	-0.07029514	-0.10317853	-0.3156432	0.10674934	-0.21094483	-0.38254073	-0.51362455	0.11547813	-0.62312	-0.15577242	-0.3651426	0.7324115	-0.9997241	0.71725875	-0.6396265	-0.23818274	-0.06129722	0.14785755	-0.8595498	-0.2293161	-0.105168246	-0.30073345	-0.19641973	-0.16110513	0.4446785	0.96781266	-0.27886993	0.1794358	0.19360812	0.083141856	0.1937587	0.063728444	-0.42325458	-0.325201	0.36460546	-0.16391322	-0.8339705	0.48034817	0.66050774	-0.4556647	0.32863727	0.21840075	0.2763982	0.55556494	-0.078095876	0.38778988	0.48990765	0.99692684	0.090636715	-0.4262669	0.16931383	-0.093322106	0.2880151	0.99941784	0.77555394	-0.6231872	0.08808556	-0.055422984	0.46114323	0.33254838	-0.9956384	-0.4684773	0.5856509	0.3132942	-0.15827788	0.54923296
107	0	CCC(C)c1ccc(O)cc1	-0.7982687	-0.0626608	0.3440298	0.29152694	0.09240438	-0.24956872	-0.32878295	-0.020754129	-0.14892754	-0.20994824	-0.8467874	-0.5453848	0.054545715	-0.8049846	0.41389865	0.07870296	-0.16942313	-0.31481528	0.3542302	-0.39180657	0.30978382	-0.8671057	0.473086	0.10968217	0.16082932	0.5419124	0.29196253	-0.18560778	0.55323374	-0.28399184	-0.34948328	0.49674863	0.38860658	0.06369346	-0.096048295	0.019872041	0.082753494	0.61367965	-0.3026666	-0.9601398	-0.9970621	-0.14784557	0.3134052	-0.31250104	0.32961336	-0.99589336	0.17244966	0.11999741	0.96468914	0.1459128	0.6535566	0.2363106	-0.49598122	0.19513541	-0.94684136	-0.19236699	-0.41312495	0.9712277	0.24829186	0.1528183	-0.4201849	-0.5075251	0.416034	-0.16762502	0.08156091	0.28036642	-0.22443628	0.4524258	0.16983253	0.20097058	0.8132015	-0.94247335	-0.2604148	0.3306959	0.6187932	0.46667662	-0.46649057	-0.38890368	-0.07544868	-0.9954732	-0.78154707	0.11939476	-0.91295296	-0.0410602	0.31203887	-0.16624035	0.06416349	-0.379655	0.07363242	-0.29429665	0.13928974	0.2955133	0.047647167	-0.35678652	0.11095014	-0.44060457	0.7383681	0.10256514	0.29598764	-0.04099114	0.09354824	-0.048541933	-0.1777771	-0.4439055	0.95531136	0.4798079	0.49957246	0.21533976	-0.92365295	-0.18539797	0.12807877	-0.45575345	0.15335499	-0.13542214	-0.039770238	0.4801726	0.08138887	0.42816603	0.9988915	0.21663658	0.38739997	-0.29479274	-0.52288145	0.11336214	-0.49040398	0.089218415	-0.031362694	-0.33675614	-0.19143492	0.99971616	-0.08864834	0.03829296	-0.48033297	-0.02499788	-0.5779514	-0.44846293	0.34801862	0.7025302	-0.7481862	-0.2375089	-0.9958873	0.29607683	0.9964947	0.386276	-0.34486604	0.02529634	0.027148766	-0.31696475	0.9947828	0.04159054	0.055143483	-0.7365178	0.5104191	0.53657913	-0.13448867	-0.21691002	-0.25372413	0.998948	-0.34384677	-0.5659595	-0.9933606	0.26601917	-0.15238535	0.30056888	0.35938472	0.1870195	0.8197754	0.25310495	-0.50020486	-0.43593672	-0.48995203	-0.32304764	0.4069139	0.020557012	0.010663603	-0.98540395	-0.77924824	-0.17801908	-0.663043	-0.38842052	0.1544103	0.5554006	0.017158361	0.58164436	-0.90433955	-0.13747267	0.56625205	-0.2232878	-0.21812762	-0.13451308	0.4951641	0.32232016	0.1486378	0.20082094	0.079857156	-0.4877689	0.07107962	-0.40542084	0.21430975	0.08258733	-0.46578708	0.25654075	0.25428262	0.11278114	0.42280734	-0.3567261	0.3707592	-0.1923765	-0.23249534	-0.79649377	-0.11602122	0.00383281	0.5116909	-0.5100884	0.3037153	0.2261683	-0.39952654	0.43996483	-0.11955559	-0.23645681	0.01224342	0.14149669	-0.18170764	-0.44436958	0.99893737	0.114556916	-0.15691872	-0.14638442	-0.05091296	-0.25181013	-0.35222003	-0.4473547	0.63153017	0.14725775	0.32419798	-0.39537445	-0.036782425	-0.284375	0.08407188	0.03749273	0.9179921	0.55304044	0.030693913	-0.6842541	0.2639086	0.024069836	0.0459755	0.27084482	-0.67672646	-0.11797971	-0.17003983	-0.9974451	-0.4759517	0.49925745	0.38635364	-0.2995073	-0.6739731	0.1150982	0.59883153	-0.046154633	-0.57429546	0.6577623	-0.5892125	-0.5279441	0.66315776	-0.02160517	0.44336894	0.56288314	-0.7059823	0.28403768	-0.4484322	-0.616544	0.43665007	0.26376262	-0.32227093	-0.38475782	-0.06274938	-0.07643138	-0.41136518	0.46618944	0.24012761	0.9993793	0.4157643	0.55842954	0.006461068	0.3373657	-0.27517122	-0.2114766	0.7822448	-0.021252353	0.21255329	0.9994077	0.17481609	0.78622055	0.03741629	0.06519576	0.99797213	-0.98158544	0.26681235	0.18896897	-0.06781272	-0.34835425	-0.12158103	-0.015707325	0.12681432	-0.7632456	0.9973779	0.37746412	-0.20330845	0.07958613	0.06659427	-0.1981927	-0.019603875	-0.37249294	0.9304143	-0.3697763	-0.35562122	-0.16760284	-0.9650283	0.14467563	0.12950322	0.12412433	0.50259924	-0.6259876	-0.44473124	-0.63995814	0.37084907	-0.96792334	0.4209168	-0.03951725	0.026421523	-0.3895261	0.25246096	-0.21737826	-0.3504948	0.5393122	0.29851958	0.004069843	0.032601345	-0.10289046	-0.27805036	0.073065	0.26483634	0.6796859	0.14357279	0.2817117	-0.4400762	-0.2706537	-0.07617196	0.94961435	-0.9960642	-0.1972886	-0.70215744	0.06972651	0.21162279	-0.002552844	0.46452817	0.9968746	-0.32735074	-0.3858709	0.1433476	0.10836549	0.08816962	0.16919488	-0.77178633	0.10335541	-0.14985625	-0.42597222	-0.3110516	0.65707356	0.4011533	0.20332196	-0.17804071	0.9627468	0.61768144	1	0.11482197	-0.29728508	-0.15992983	-0.27385485	-0.9262795	-0.43073845	0.1796792	-0.50410706	0.10835455	-0.4612264	0.3672203	0.2552797	0.27168837	0.59179825	-0.28829402	0.35333312	-0.27333754	-0.46475098	0.05792523	-0.3308546	-0.53852576	-0.39557913	0.7198361	-0.040797926	-0.97862756	0.23131685	-0.4687574	0.076216035	-0.000846727	-0.3866389	-0.56471	-0.44053063	-0.5142628	-0.13148965	0.53501534	0.10142769	-0.3346561	0.059543617	0.22634016	-0.39899892	0.9999068	0.18665078	-0.9886025	-0.1681593	0.9986475	-0.28968453	-0.3738107	-0.9972172	0.14738397	0.57679045	0.48379725	0.27461982	-0.6332673	0.5028053	0.06876423	-0.2094568	-0.19580702	-0.19290395	-0.09678455	0.23453933	0.25066182	0.009022951	-0.99989176	-0.9990889	-0.99201226	0.2936421	-0.13845131	0.12939364	-0.1306526	-0.5304382	-0.610039	-0.12253594	-0.3164158	-0.39949894	-0.72683287	-0.55546486	-0.120467514	-0.55466443	0.2810533	0.055979338	0.039424274	-0.98826975	-0.99988693	-0.7008213	-0.42294344	-0.09219026	0.34547386	-0.3057306	-0.9959331	-0.00521772	-0.567926	-0.047772456	-0.058970388	0.2739973	-0.2051873	0.930807	0.22117208	0.77221054	0.5600206	0.4620962	0.24562714	-0.8931019	-0.19183303	-0.3748963	-0.5172522	0.05574604	0.08822968	-0.06857638	-0.1407157	-0.5256979	-0.20642896	-0.8042628	0.34563994	0.44338122	-0.37304613	-0.17646983	0.27761656	-0.9153387	0.25755933	-0.22475043	0.086033784	-0.14294437	0.2394127	0.9996471	0.07976923	0.38869783	-0.13046603	0.6315622	-0.017623266	-0.2929844	0.63083154	-0.36667347	0.32254484	-0.19343352	0.76383436	-0.17959005
108	0	CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O	0.48440495	-0.27379322	-0.18154258	-0.24384761	-0.29841617	-0.1323862	0.5503241	0.14069062	0.45115805	0.46128827	-0.53134966	-0.20248747	0.3624193	-0.073221005	0.12282295	0.6191719	-0.33424583	-0.4223576	-0.03611425	-0.036471803	0.27525476	-0.096181065	-0.4508018	0.018833358	-0.03828523	-0.29220298	-0.12146601	-0.08074379	-0.078536436	-0.56271106	-0.6045891	0.14936315	0.7843855	0.4266577	-0.008860032	-0.4846873	-0.2574001	0.021847205	0.9972423	-0.1588907	-0.9072503	-0.18036109	0.42087442	-0.019254824	0.3483157	-0.668447	0.3347802	-0.003160153	0.99465775	-0.3693969	-0.07684778	0.4771586	-0.21572866	0.52747184	-0.8939868	-0.2737953	0.22239736	0.25859386	0.47969824	-0.39341512	-0.05569442	-0.23713171	0.5067597	0.5032847	0.4465516	0.43820882	-0.26153773	-0.38039088	0.26354483	0.75568163	0.59363216	-0.7677782	-0.118848324	0.8696251	-0.32569683	0.83487797	-0.5150064	0.12387042	0.59865755	-0.99996924	-0.3000736	0.38821653	-0.3281881	-0.26066363	0.60464174	-0.8662806	0.39672777	-0.29753396	0.3102514	0.0281692	-0.44355592	0.37129238	0.5405774	-0.19188385	0.9924188	-0.4543053	0.75071645	0.44809034	0.15053284	-0.4345996	0.23401795	0.4633147	-0.1837753	0.8858462	-0.9887056	0.53328747	-0.37036455	0.20216796	0.97482157	0.07748294	-0.6124202	0.018512005	0.02763812	-0.63499653	0.26497784	0.123010635	-0.28129444	0.47385016	0.988616	0.737623	-0.020892208	-0.087661795	0.24190143	-0.17634405	0.31498775	-0.1458741	-0.03922703	-0.23653917	0.21606787	0.9998393	-0.007905311	0.083504476	0.44033426	-0.07857031	-0.28313807	-0.98990303	0.6030047	-0.2851921	0.07801622	-0.62841403	-0.99960685	-0.09827045	0.78352594	-0.27741626	-0.2604501	-0.11969122	-0.25757572	0.34284502	-0.88487464	0.5908906	0.1948617	-0.93556505	0.86101216	0.32531947	0.42488608	-0.4965843	-0.7000677	0.19407855	-0.5040856	-0.90351945	-0.8688695	0.11509995	0.6658768	-0.13784194	0.5016412	0.263599	0.1313022	-0.5746009	0.025360757	0.33947498	-0.20491758	-0.20785159	-0.39156428	-0.85916644	-0.45308995	-0.98299223	0.8877877	0.39203858	0.5059021	0.16436303	-0.23259048	-0.8844011	0.76946956	0.30196372	0.009611384	0.35383263	-0.32670853	-0.5249919	0.60341746	0.19755158	-0.8970028	-0.21616113	-0.5569696	-0.4755384	0.19470464	0.18954073	-0.5557834	-0.8710904	0.287225	-0.48121408	-0.04800062	-0.29250932	0.09895335	-0.70753914	-0.5160776	0.71825284	-0.26728007	-0.6371154	0.6565497	-0.9999137	-0.35034913	-0.4202187	0.21536763	-0.6657581	-0.12305763	-0.39559716	0.2130044	0.47426003	-0.19220269	-0.8033659	-0.6822906	0.38975596	-0.7499862	-0.7430171	-0.8151259	0.4204898	-0.18695898	0.31494498	-0.23636322	0.1732735	0.29470226	-0.81400096	0.16333862	0.08020402	-0.22527684	0.19274218	-0.7463602	-0.27455065	-0.090425454	0.030236548	0.81395394	0.13081726	0.8454927	-0.6083329	-0.90254015	0.2934015	-0.5458973	-0.080722995	-0.28973126	-0.68503916	-0.23719342	-0.5334383	0.32640028	0.17361706	-0.062565565	-0.19329293	0.51539576	0.30697307	-0.20794535	-0.121951826	-0.62883365	0.40044537	0.20463182	-0.57878935	0.62406427	0.28952888	-0.12662831	-0.84480244	0.8624678	0.19784361	-0.15507942	0.9919796	0.001355353	-0.36672392	-0.54005075	0.59060866	0.013261948	-0.8532919	0.32935864	-0.5215282	0.018128555	0.9969793	-0.24593136	0.39275572	0.28962466	0.3007671	0.21444629	0.90452206	0.601645	0.05322034	-0.38254547	0.9379901	0.24008536	0.07410676	0.6195387	0.6770584	0.99998283	-0.9944201	0.93714976	0.09369093	0.40540922	-0.19283698	-0.02966116	-0.5956373	-0.8368122	-0.9889011	-0.8485389	-0.44438756	-0.40255696	0.2918541	0.74739665	-0.14999944	0.32698092	-0.4077146	-0.0000934	0.6254488	0.34575942	0.28728884	-0.99986607	-0.16059326	0.31212044	-0.3037523	0.28836083	-0.4709716	-0.20861882	-0.004846142	0.20405668	-0.8084516	-0.32548645	0.49393407	0.06871951	-0.274495	0.69289404	-0.08513163	-0.049889114	0.69428	-0.005103487	0.13220671	0.48190695	0.34988734	0.18158871	-0.09316688	0.8706376	-0.44208047	-0.30415303	0.8724118	-0.112812445	-0.5651428	0.012414455	-0.6915595	-0.9482604	0.17517306	0.055488203	-0.29449096	0.55906713	0.20596	-0.10617879	0.9988294	-0.632459	0.0641026	0.16665049	-0.26318118	-0.23891598	0.7607911	-0.88549435	0.66322535	0.30935207	0.648957	-0.1461751	-0.19490103	-0.6304707	-0.5051133	0.71692485	0.42377296	-0.08962795	-0.99988383	0.18318194	0.61147887	-0.1501436	-0.5334483	-0.6749385	-0.47327998	-0.019538883	-0.505141	-0.4616161	-0.02589203	0.07563248	-0.54635495	-0.18486749	-0.8221425	0.18941893	-0.12797916	-0.5864721	-0.34728017	-0.21821424	0.36728787	0.40877244	-0.031450495	0.5867462	0.47850296	0.41208106	-0.057014257	-0.68683916	-0.35929203	0.33323526	-0.73022103	-0.6682629	-0.3629153	0.099084206	-0.17204767	0.30125347	-0.5962902	0.03778855	0.01197639	-0.2866081	0.09141695	0.9999995	0.6743106	-0.8989706	0.23204185	0.99724567	0.17570148	0.09708603	-0.9999465	0.760997	-0.43885383	-0.30555886	0.06249527	0.6074118	0.33478308	-0.43258917	-0.6774748	-0.60647416	0.0631489	0.4635654	0.5046189	0.26661393	-0.1758051	-0.9999312	0.9999999	-0.49476126	-0.2549027	-0.5022709	0.9467962	-0.35479242	0.3273118	0.8431372	0.3512139	-0.24138048	-0.15368451	-0.0038312	0.14251605	0.16127747	-0.30252108	-0.024181873	-0.070667304	-0.015961153	0.33013922	-0.9997087	-0.6776052	-0.1671577	0.5816731	0.22158642	0.15041623	-0.91587675	-0.21215531	-0.27829972	0.36329955	0.12983006	0.8197454	0.06871998	0.100828014	0.4055895	0.7511482	0.25790557	-0.060723927	-0.06423441	0.44001296	0.2611304	0.29448295	-0.4124961	-0.49139667	-0.9553586	-0.011273564	-0.2063505	0.71236974	-0.8708924	-0.24401653	0.3927792	-0.9714719	0.10210512	-0.5172123	-0.3083477	0.99158853	0.38228768	0.23987181	-0.77755696	0.16699168	0.28686613	0.99995625	-0.20584464	-0.72329223	-0.008805803	-0.45503923	-0.56845677	-0.338232	-0.9977568	0.46727452	-0.15726638	0.42021245	0.78510755	-0.27159604
109	0	O=C1CCCO1	0.25260386	-0.13030812	-0.77946055	0.24167255	-0.17656851	0.10760543	-0.059791528	-0.4103194	0.24116167	0.33441904	0.11675946	-0.06498879	0.07688582	-0.5087497	0.51259905	0.34702882	0.34592578	0.29305163	0.36670038	-0.288357	0.26890954	-0.86491305	-0.09874932	0.43369776	0.024068924	-0.35171285	0.18128717	-0.04321751	0.5135535	-0.06880013	-0.18675448	0.73036087	0.3330541	-0.089218184	0.40804765	-0.42312476	-0.21686728	0.09090468	-0.9748928	-0.806209	-0.99721646	-0.33078396	-0.23380987	-0.10523441	0.38730168	-0.99184775	0.28503764	0.010937771	0.9930495	-0.11386595	0.037858874	-0.50252104	-0.18420038	0.06973352	-0.8534921	-0.059014294	0.46005347	0.970407	-0.22551619	-0.17308153	-0.5410774	-0.61010265	-0.05122083	-0.21522844	0.3405017	0.2535052	0.32511365	-0.40176266	-0.2001714	0.08626	0.9242981	-0.9988949	-0.20045838	0.85135275	-0.2165038	0.6785649	0.24310446	0.11484468	0.25951964	-0.9998369	-0.46404204	-0.2957792	-0.26646104	-0.53840816	0.534196	0.9640005	0.74008834	-0.20726676	0.38077495	0.07314666	0.079265006	0.4740978	0.14391984	-0.04719831	0.8805794	-0.24358559	-0.65736693	-0.070901506	0.38452688	-0.13405135	0.27653107	0.06976678	-0.063443914	-0.6983857	0.9942202	-0.022356894	0.573859	0.012373791	0.8709442	0.7569849	-0.5411286	-0.54257154	0.298207	-0.22628942	0.22285914	0.36336848	0.6395392	-0.16462015	0.99616086	0.009967889	0.2842943	-0.3842536	-0.14322442	0.18125653	0.11281582	-0.2308765	-0.59387636	-0.1262004	0.24523044	0.95083433	0.22701097	-0.22313358	-0.29130036	-0.09706541	-0.6263942	-0.44164738	0.12493338	-0.15197256	0.27042842	-0.1248817	-0.99442726	-0.2632862	0.9383526	0.064624876	0.24664092	-0.19680195	0.37680843	-0.009136338	0.9969076	-0.38794214	0.055069197	-0.51284164	-0.4547781	-0.003057858	0.2056998	-0.52614164	0.6113314	0.998946	0.74911535	-0.900971	-0.9875685	0.44376206	-0.13910012	0.025056463	0.29373482	-0.19986735	-0.050802846	0.33706224	-0.3275067	-0.31316066	-0.72981256	0.0381341	0.04165986	-0.33604556	0.52760345	-0.9491695	0.3300865	0.16478702	-0.17256466	-0.11038151	-0.18733819	-0.61729366	-0.33060288	0.10567087	-0.930016	-0.11670413	-0.42123824	0.4468858	-0.16775298	0.73930097	0.4002809	0.43710443	-0.26424992	-0.34557948	0.21474215	-0.49858487	-0.17218848	-0.84122866	0.34807137	-0.44836435	-0.30321765	0.15034835	-0.52234954	0.3954566	0.040108908	-0.4815179	0.35968885	0.22015363	-0.21455945	0.9594614	-0.16820742	0.29468557	0.034378175	-0.83972126	0.043285314	0.38455957	-0.580042	0.40010273	0.14959143	0.17577858	-0.590903	0.23863792	0.54301196	0.28140813	-0.55779153	0.4160205	-0.14124882	-0.013688248	-0.47360152	-0.44748226	-0.55469054	-0.7839066	0.58790654	-0.1581058	-0.18550928	-0.6218621	-0.27218032	0.10804413	-0.39716512	-0.07550905	0.8732959	-0.3939249	-0.5629707	-0.12852809	0.023345817	0.4124902	0.097753085	-0.1166156	-0.16920595	0.28357136	0.47647294	-0.9859102	0.06493037	0.005190356	-0.19881155	0.5603391	0.23681027	0.30976915	-0.24560703	0.4117125	-0.15496048	0.4938083	0.13903254	-0.40393955	0.14865689	-0.3359135	0.4633203	0.04543822	0.40002954	0.22809485	-0.42514092	-0.9531745	0.06841028	0.19028383	0.24873127	0.90002567	-0.098055966	-0.16880648	-0.001747267	0.8207428	-0.5624715	0.99750996	0.25192967	0.6461339	-0.4420035	0.3455603	-0.17647137	-0.7014349	0.58507264	-0.341743	-0.15973723	0.99829835	0.35740462	0.22404993	0.081683084	0.6185727	0.9972397	0.18259615	0.19645578	-0.30958882	-0.16920833	0.29204378	0.80966717	0.37944448	-0.13785215	0.1497594	0.9996037	0.11843023	-0.36085382	0.05632792	0.06940158	-0.32400635	0.3409896	0.18218064	0.5645783	-0.14377	-0.31644356	-0.3156219	-0.9990532	0.23280337	-0.6997655	0.2912056	0.32270706	-0.507454	-0.003047158	0.033625823	-0.011580037	-0.676311	-0.18738374	-0.15321721	-0.08975042	-0.3358151	0.19768791	0.52251196	0.3114569	-0.6975928	-0.25885412	0.41458392	-0.004129306	0.020522	0.5715758	-0.29934582	0.011771258	0.842812	0.11212984	0.36174303	0.20016567	-0.20468049	0.08516861	0.96538335	-0.9865028	0.21366756	-0.38381347	0.2614751	0.003275368	0.16429754	-0.19685096	-0.60173744	-0.4912635	0.027581254	0.052034784	0.086890824	0.55400074	-0.045686994	0.24064124	-0.2592605	-0.23295939	-0.5188621	-0.13831936	-0.36833808	0.38271633	-0.37424126	0.14019148	0.9519561	-0.102691345	0.9999994	-0.03035095	-0.011946866	0.13811709	-0.09724542	-0.91744554	-0.39340568	0.55564386	-0.13601944	-0.20718794	-0.5572973	0.059357304	0.22044131	-0.20814517	-0.22181457	-0.13880864	-0.44434655	-0.6787085	0.29192445	-0.000501338	0.3233726	0.40917882	0.84543884	0.71682286	0.4979774	-0.7739271	0.10788882	0.18240766	-0.13666849	-0.19585033	0.263755	-0.29532266	0.113661826	-0.21191224	-0.1963018	0.4988272	-0.11084681	-0.059301816	0.2006039	-0.04970307	-0.4148652	0.99999475	0.07179315	-0.78782994	-0.62399495	0.557267	0.074430555	-0.24464637	-0.9990174	0.042158835	0.5050407	0.16303107	0.23394024	-0.30413485	-0.13116364	0.06896882	0.95228595	0.28218827	-0.3466942	0.3880259	0.14372158	-0.18091573	-0.2724489	-0.9997882	-0.9935349	-0.99135834	-0.57898253	-0.50572884	0.45340005	0.22641522	0.7031624	-0.6543283	0.28481188	0.5499218	-0.036770143	-0.08349113	-0.016105006	0.6614826	0.4256734	0.18066877	-0.02241025	-0.61031854	-0.9963906	-0.99962413	-0.5127115	-0.33285347	0.41790983	0.13403194	-0.053801425	-0.8787464	-0.65455437	0.31809583	0.49743727	-0.105499774	-0.011821008	0.03585637	-0.24497305	0.513575	0.9739583	0.4677042	0.18465355	-0.12622657	-0.40210542	-0.10396813	-0.17427514	-0.35890323	0.89007443	-0.52708685	0.5218274	-0.43748263	0.20362495	-0.6678756	-0.36140108	0.22079432	-0.803802	-0.26589274	-0.33748263	-0.04701772	-0.99564105	0.1443351	-0.46396616	-0.34958127	-0.039738517	-0.08183272	0.99626833	-0.7012467	-0.1949044	0.40226603	0.25360447	-0.13014702	-0.14689514	0.9815912	0.30201	-0.16620074	-0.52575916	0.6510532	0.2339996
110	0	Nc1ccc(Cl)cc1	-0.75953805	-0.16160117	0.22407523	0.5985389	-0.37780473	-0.18856564	-0.483663	-0.082471475	0.051145367	-0.3532814	-0.763836	-0.47045735	0.08579188	-0.75335157	0.20115101	0.107486814	-0.2130821	0.30850393	0.21216004	-0.08482068	0.5845638	-0.88587457	0.6068485	0.27021748	0.29601586	0.120857224	0.3231449	0.4600932	0.28768823	-0.39110345	0.22273445	0.38073635	0.185606	0.16106096	-0.16307576	-0.2871681	-0.3752244	0.61646956	-0.897324	-0.96329933	-0.9922296	-0.36111304	-0.36215228	-0.46822754	0.42672697	-0.99636483	0.4832331	-0.32615432	0.9686558	-0.5932382	-0.04096589	0.09417272	0.06392712	-0.037153207	-0.9633628	-0.32590532	-0.42928606	0.9762016	0.22583504	0.19594327	-0.37881395	-0.15119857	0.6216209	-0.1438301	0.5257247	0.6311196	0.4197493	0.5427583	0.02270248	0.010745439	0.7952074	-0.9857137	0.2395619	0.41748208	0.36583233	0.30397844	-0.13116461	-0.30166915	0.26084194	-0.9676343	-0.7284924	0.08151012	-0.7874614	-0.48527202	0.47557542	0.5628768	0.54606754	-0.07324833	-0.22441928	-0.46324232	0.14447933	0.033252206	0.050246328	-0.20583516	-0.1685443	-0.27440175	-0.328261	-0.067865096	0.6165029	-0.47139615	0.40052676	-0.70550513	0.026283722	-0.7579193	0.9923718	0.17935061	-0.010120481	0.49157253	-0.8558824	0.29548198	-0.45353302	-0.46046934	0.00406073	0.15774332	-0.12908787	0.16419145	0.6885596	0.45931348	0.9981885	-0.3518695	0.08088763	-0.24013714	-0.28382763	-0.10014846	0.17468229	-0.11991115	-0.43790382	0.001377038	-0.50690085	0.9990299	-0.025683964	-0.12699144	0.306624	0.08509644	-0.20433421	0.49800938	0.6044066	0.31055245	-0.5128214	0.006283035	-0.996058	-0.17369409	0.9902677	0.3855808	0.2362441	0.29452774	0.51070946	-0.5627187	0.9986012	-0.26847407	-0.14718653	-0.28171727	-0.037147135	0.047735464	-0.17165416	-0.31145152	0.028799634	0.9994785	0.084453575	-0.35017067	-0.98900574	-0.1545796	0.12574244	0.18752284	0.1417284	0.02438758	0.4412847	0.04079536	-0.24533363	-0.2497496	-0.65838546	0.045567885	0.29277322	-0.61844075	0.11277786	-0.967074	-0.8143601	-0.20064878	-0.37819546	-0.062841706	0.5404649	0.3403437	-0.033869613	0.53232586	-0.9465671	-0.35323963	0.71239847	0.2591941	-0.09282463	-0.09155665	0.77585185	0.41479084	0.14476813	0.2810704	-0.040408712	-0.008663286	0.3972107	-0.3852101	0.23448226	-0.16792457	-0.44110537	-0.009695903	-0.84089166	0.2056646	0.10361324	-0.26917467	0.22054033	0.13233797	0.024529321	0.603562	0.16307269	-0.13872017	0.0882875	-0.5433395	-0.10879347	0.25310132	0.000393058	-0.4142231	0.08861436	0.38131037	0.06506767	-0.37597004	-0.106239796	-0.004144778	0.99516135	0.16484737	0.27648035	0.21071966	0.5006224	-0.437395	-0.036127277	-0.6027317	0.60953045	-0.29709935	0.04215945	-0.6784915	-0.5848751	0.17908649	-0.1706018	0.28256857	0.90404487	-0.18777685	-0.016078444	-0.24221191	0.6606551	-0.34706834	0.22669859	0.2893432	-0.5788838	-0.22241786	-0.18572679	-0.99490637	-0.03163806	0.429518	-0.1923156	0.14485288	0.314941	0.36501458	0.14196092	-0.121481545	-0.7179986	0.5882957	0.009365399	-0.49937904	0.706931	0.024733728	0.15595196	0.033707857	-0.95422643	0.6237771	0.03797624	-0.98270786	-0.006633653	0.4733582	0.22635163	0.94851214	0.22931539	-0.006880911	-0.039764717	0.61480254	0.24024688	0.99886405	0.25595367	0.8228825	0.07866234	0.1752012	-0.51456654	-0.44493404	0.06789583	-0.37663946	0.34328097	0.99928033	-0.20721562	0.6163632	-0.015574168	0.5764623	0.9979451	-0.8679637	0.5777698	0.00618419	-0.48013332	0.2198689	-0.13290262	0.24671207	0.50013137	-0.21158493	0.9996402	0.5530197	-0.4541552	-0.21965824	-0.16883373	-0.10747188	0.18906553	-0.5178838	0.9173717	-0.38996685	-0.040122576	-0.033709962	-0.97738546	-0.28437182	-0.18908183	0.49972293	-0.006097157	-0.42785773	-0.4921366	-0.49553287	0.44841996	-0.93977106	-0.062306445	0.18228231	-0.090520106	-0.35669786	0.010095218	-0.009360479	0.42712125	0.31883585	-0.29905063	0.000622504	-0.49664208	-0.1741848	0.07762654	-0.6170985	-0.19817959	0.613508	0.101273656	0.6311037	-0.007274789	0.002295162	-0.009001993	0.9588352	-0.9951084	-0.12438806	-0.49984685	-0.11126973	0.05633973	0.3550424	0.103158616	0.7412622	-0.1257669	-0.43636027	-0.05311071	0.15421386	0.6107237	0.15478413	-0.6735103	-0.22734833	0.20882636	-0.8515875	-0.2386209	0.44380343	0.10106274	0.20824805	0.42176253	0.97541684	0.27098066	1	0.00116645	-0.34419683	-0.09734276	-0.43911156	-0.9146995	-0.41159952	0.13895641	-0.67146254	-0.45377308	-0.4112191	-0.25392577	-0.20167367	-0.08199419	0.7063899	-0.09873307	-0.17485662	-0.002436206	0.40799195	-0.35012805	0.2305615	-0.12146376	0.57407594	0.85263693	0.43233538	-0.9614042	0.27765992	-0.48209095	0.18183486	-0.2130741	-0.36996934	-0.4866252	-0.07521447	-0.39948297	-0.20976906	0.8228176	0.484356	-0.33880332	0.24807338	0.5137736	0.08539919	0.99993676	0.18354183	-0.9970112	-0.034736186	0.98202956	-0.42365888	-0.3955977	-0.9963577	-0.26888603	0.7543617	0.5120653	-0.024701523	-0.7831362	-0.097675934	-0.07817843	0.68273973	-0.020523392	-0.67881906	-0.25165534	-0.123795226	0.08785845	-0.054531507	-0.99990076	-0.9991602	-0.9961224	-0.3696956	-0.17861255	-0.22592287	0.10068068	-0.3873366	-0.7826485	0.6817401	0.073664404	-0.4371493	-0.77030087	-0.180936	0.63063854	-0.23430061	0.29949945	-0.116226904	-0.27605435	-0.9934225	-0.9998137	-0.33891627	-0.061346434	0.20016374	-0.26754197	0.37055442	-0.98357946	-0.45560378	-0.08438574	-0.03673943	0.014835658	0.17157619	-0.25876978	0.8718197	0.52414006	0.9260153	-0.024850108	0.5054569	0.32095617	-0.73645854	-0.5183909	0.46449545	-0.5770766	0.25509867	-0.22958674	-0.011764431	-0.32971725	-0.15531428	-0.4573452	-0.44200876	0.083332	0.4880661	0.18386331	0.22242367	0.40541968	-0.9902555	-0.007087464	-0.5738695	0.25896925	-0.24777256	0.38741186	0.9970874	0.22098307	-0.00810557	0.21682774	0.5426654	0.26075867	0.10664415	0.9698717	-0.11459969	-0.3500739	0.0599405	0.47989893	0.32140023
111	1	CC(C)(c1ccccc1)c1ccc(O)cc1	-0.7937107	-0.33717752	0.06354978	0.006644888	0.6644496	-0.41541153	-0.6708063	-0.10469924	0.06780976	-0.1691067	-0.8251369	-0.18819119	0.14214997	-0.74393886	-0.40329793	0.65057254	-0.16828398	-0.06370966	-0.08510626	-0.120899245	0.16134854	-0.8202777	0.55032665	-0.05505047	0.13555564	0.57183594	0.381519	0.085105516	0.82779926	0.24976711	-0.49705088	0.2676753	-0.01592496	0.2093411	-0.3766993	0.052879963	0.4187953	0.6484802	0.9316582	-0.9338288	-0.990145	-0.07327395	-0.043869693	-0.085011415	0.33539423	-0.9863556	0.06057348	0.012743575	0.96255934	-0.6457119	0.48803884	-0.11856267	-0.31272867	0.085835084	-0.9553682	0.32172096	-0.6458091	0.8060335	0.3031626	-0.1881895	-0.09172783	-0.50739485	0.5216563	-0.14161454	0.031001637	0.42924818	-0.15255933	0.55763185	-0.29614735	0.6509932	0.72617483	-0.82596695	0.038585123	0.082384616	0.7560049	0.113381036	-0.014456634	-0.46133384	-0.23120739	-0.99762136	-0.61930513	0.466372	-0.7814166	-0.3486686	-0.06995504	-0.83508474	-0.29080835	-0.29003078	-0.38052404	-0.3429077	0.30241117	-0.101955555	-0.026274106	-0.337516	0.4186941	-0.085275054	0.8501711	0.023571925	0.6310385	-0.37963986	0.18662341	0.18408288	-0.035770666	0.80177534	-0.25437397	0.58393455	0.37416655	0.53594583	-0.9027048	-0.04211312	0.031079067	-0.26637423	0.28002632	-0.11647641	-0.00718909	0.59855247	-0.04712809	0.4121875	0.9985809	0.23582533	0.056538153	-0.5842242	-0.40827504	0.17687166	-0.5766198	-0.00407193	-0.42637324	-0.20736243	-0.46680585	0.9999192	-0.5929397	0.23488103	-0.16738842	-0.1517175	-0.15911978	-0.7902868	0.3967606	0.83634716	-0.8219091	-0.57088274	-0.9999546	0.271075	0.99434114	0.35811713	0.0860876	0.26576132	0.17479353	0.09773718	0.8815638	0.31970122	-0.15088916	-0.75755423	0.32817113	0.13559192	-0.48037124	-0.35683402	0.004028123	0.98596346	-0.6374548	-0.44358665	-0.9844553	0.115962386	-0.31268895	0.21996588	0.08536421	0.31135708	0.78074825	0.6268099	-0.26791885	0.003270745	-0.49075913	-0.20011508	0.24401288	0.09352816	-0.45069656	-0.98912954	-0.7708907	0.4630465	-0.20509902	-0.5535334	0.010075805	0.6118936	0.23307246	0.6154852	-0.6814904	0.004944654	0.39269248	-0.20483442	0.10138789	-0.24492167	0.48630768	0.19145574	0.086964875	0.7390168	0.28474006	-0.563201	0.039175026	-0.28125864	0.61698306	-0.04393626	-0.23835607	0.024749894	-0.12071751	-0.27213308	0.47828966	-0.098007075	0.5391487	-0.30247602	0.21531212	-0.99794036	-0.4001479	0.15376057	0.529494	-0.04837035	0.58300495	0.3273653	0.14909135	0.39874914	-0.25394988	0.37747818	0.06566048	-0.43177807	-0.46275282	-0.45830855	0.99861497	-0.03588795	0.12834162	-0.10981826	0.20000449	0.37246072	-0.24447586	-0.17252511	0.7535867	-0.2444683	0.39570487	-0.40968063	-0.06645999	-0.18658262	-0.42267853	0.058594335	0.88004565	0.20149311	-0.12527166	-0.5506925	0.5673414	0.35728732	0.44665498	0.52784663	-0.025465153	0.18409045	-0.040198207	-0.97184694	-0.5411435	0.61093825	0.61023873	-0.25328502	-0.62829727	0.24564467	0.7138218	-0.39277261	-0.5622049	0.6072791	-0.57053477	-0.46592656	0.27220064	0.27555737	0.5408144	0.46500987	-0.49235994	0.22117981	-0.637143	-0.01982364	0.09538999	0.037995584	0.11561586	0.3508359	0.18332641	-0.44817388	-0.24610433	-0.3420046	0.30725724	0.99952865	0.13537978	0.47466722	-0.13866127	0.2820022	-0.4423141	0.43233365	0.6387529	-0.17854021	0.4919957	0.99789643	0.5152358	0.43267882	-0.14519183	-0.2306774	0.9999848	-0.99653876	0.5545401	-0.24059132	-0.13175006	-0.26084125	-0.37857196	-0.27654886	-0.22555733	-0.9260437	0.8739336	-0.06083722	0.32022223	0.12057514	0.10200365	-0.50134295	0.06850795	-0.3716186	0.91880244	-0.47658613	-0.22103317	-0.044878114	-0.9510565	0.18807252	-0.1567151	0.18459567	0.33646116	-0.55967015	-0.64420813	-0.13188554	0.39009202	-0.9633663	0.25528288	0.10615468	0.3956133	-0.000563614	0.4461685	-0.5426448	-0.2637399	0.82430047	0.16794805	0.4174121	-0.22439775	0.21513419	-0.43453297	-0.0869346	0.4247109	0.70021915	-0.0800747	-0.06467958	-0.3383804	-0.3814738	-0.5291266	0.62544376	-0.99469423	0.24211283	-0.5856002	-0.017451577	0.33432245	-0.26669797	0.41062513	0.9994619	0.060166996	-0.2634684	0.015313914	-0.32541078	-0.51902944	0.021251425	-0.9081774	0.2224327	-0.31788585	-0.4395769	-0.07263174	0.23108311	0.45423818	0.2054495	0.3043992	0.90887254	0.50355273	0.9987794	0.15473129	-0.26882124	-0.5393211	-0.13335404	-0.838767	-0.48674545	-0.40010872	-0.7097534	-0.16108572	0.095603675	0.5346647	0.1410839	0.28486586	0.5808796	-0.14656487	0.259148	-0.03645091	0.24069352	-0.07456515	-0.10669211	-0.7235383	-0.44860366	0.7123348	-0.45713738	-0.96237195	0.56006956	-0.26038054	0.25495958	-0.45065042	-0.50917363	-0.5916348	-0.7154877	0.07599761	0.13940777	0.5883658	0.19079642	-0.3634087	0.45138517	0.06587308	-0.3114504	0.99992555	0.20037945	-0.9866457	0.15299194	0.99937165	-0.63408357	-0.10535112	-0.9977402	0.06758895	0.27276278	0.5495936	0.42483395	-0.64565253	0.7938003	-0.42454538	-0.49262628	-0.3492846	-0.08969157	-0.3620583	-0.09802354	0.086178586	-0.19115913	-0.9999767	0.9827245	-0.95352596	-0.018265024	-0.54377484	-0.036809016	-0.1451518	-0.7465389	-0.6705719	0.2487523	-0.33047315	-0.28038886	-0.85797894	-0.6374612	0.01578666	-0.4485623	0.092489496	0.07717125	-0.25988007	-0.8513949	-0.99995077	-0.37320453	-0.21334589	-0.45363146	0.26822904	-0.33391815	-0.9976084	-0.060687754	-0.5170469	0.02235307	-0.354059	0.34833273	0.11055453	0.96989816	-0.19574748	0.5861801	0.5131662	0.37954056	0.29661667	-0.8976506	-0.10480112	-0.35793954	0.20061867	-0.3980435	-0.5398375	0.001262997	0.34549186	-0.6486833	-0.116365485	-0.55313987	-0.16131514	0.5748783	-0.32219237	-0.29523933	0.442247	0.46321595	0.29945865	0.049625233	0.030669918	-0.09153879	0.07496981	0.99954754	0.7777771	0.117009126	-0.038174868	0.26353946	0.06897745	0.014177782	-0.7627638	0.017335724	0.6658565	-0.11826294	0.73099303	-0.108731374
112	0	OC1CCC(C2CCCCC2)CC1	-0.68652993	0.3751855	-0.19232945	0.5457346	0.20224515	0.08257206	-0.54846114	-0.16409265	-0.29022154	-0.15657668	-0.6475722	0.14354794	-0.24496923	0.40322903	0.0595543	0.5330152	-0.06192053	0.15040533	-0.22853671	-0.36266264	0.25731668	-0.52354395	0.08956182	-0.30539393	0.28559253	0.025650013	-0.2815125	0.023282876	0.43046206	-0.4104614	0.09586424	0.6465679	0.20199002	0.61777794	-0.07156635	-0.20258754	-0.5048825	-0.3326119	0.22355518	-0.9141781	-0.97296053	-0.46107945	-0.07382408	-0.3455294	0.10314447	-0.9939848	0.2292306	-0.12396028	0.9034574	-0.3787254	0.66913867	0.08899683	-0.06286143	0.4255753	-0.8757397	-0.37585706	0.47593394	0.9652785	-0.21898812	-0.35030854	0.06369321	-0.57899106	0.5563244	-0.10628341	0.47997665	-0.058660872	-0.3783811	-0.1682848	-0.21463527	0.3334541	0.39319512	-0.77930135	-0.098923184	0.88904446	0.44027826	0.13218296	0.13971655	0.35107478	0.26596823	-0.997604	-0.46728307	0.30962986	0.4826012	-0.3932879	-0.5415281	-0.6024662	-0.02577583	-0.040772114	-0.21340652	0.00737872	-0.2156811	0.5593262	0.28267238	-0.044068746	0.47314873	0.09392072	0.6957864	0.1026644	0.35797453	-0.38893253	0.10331074	-0.32074016	0.061362423	0.8510763	0.8076182	0.6395727	0.29822057	0.398296	-0.8048119	0.25064316	-0.23024611	0.045074154	0.31249908	0.09042709	0.39044455	0.1497587	0.21100092	0.2238552	0.99834335	0.5239516	-0.20488162	0.050687946	0.28675222	0.08080526	-0.16043217	0.5856778	0.111349635	0.04132261	-0.29522273	0.999835	-0.18120441	0.48517022	0.42037684	-0.5551482	-0.26593837	-0.47014102	0.33892202	0.68816787	0.046224665	0.21238397	-0.9999192	0.2184675	0.99361664	-0.326976	0.35118344	-0.57645947	-0.12530749	-0.40205762	0.9840566	-0.12873514	0.18786807	-0.64750814	0.84236044	0.75657415	0.001752862	-0.44832754	-0.1027666	0.9971761	-0.10661635	-0.3772231	-0.9887975	-0.10650163	0.17674999	-0.37214524	0.3134357	0.01454228	-0.5645506	-0.3003113	0.05760438	0.052386723	-0.2980333	-0.41573918	0.5181806	-0.011273267	0.538085	-0.9875796	0.9808019	0.44423774	-0.13436458	0.019769445	-0.080850504	0.6644105	-0.1958676	0.6947814	-0.8791595	-0.15979142	0.18376793	0.25767893	0.02341359	0.70018643	0.000527602	0.47849843	-0.16890615	0.34294522	-0.32315207	-0.23550929	0.16860616	-0.48696133	0.6617634	0.36047816	-0.58400524	-0.573899	-0.589092	-0.2779903	-0.071222745	-0.17360209	0.021551484	-0.44582194	-0.1768639	-0.9688563	0.15875565	-0.09626637	0.5716337	-0.78380275	0.17761114	-0.52186775	-0.6381493	-0.031777274	-0.215826	-0.096432306	-0.19151597	0.58345896	-0.6196946	0.044161238	0.98298776	0.51551616	-0.06352764	0.20604959	-0.113145836	0.29051015	-0.4469608	-0.56037164	0.7007051	0.11986795	0.06374179	0.4436436	-0.5455751	0.5266027	-0.11378531	0.63372517	0.9010671	0.066251986	0.225365	-0.104092084	-0.7534875	-0.09001118	0.19956729	-0.4823098	-0.36528182	-0.5734093	-0.1852296	-0.9624645	-0.4207309	0.63419145	0.22425337	0.38373885	0.38937664	0.24175449	0.36810958	-0.42759034	0.15830807	0.23981921	0.4969648	-0.53929	0.555955	0.28331622	0.104430616	-0.07215799	-0.47979268	-0.01883684	-0.71203053	0.020593354	-0.0297787	0.035844285	-0.39542124	0.85967344	-0.027420403	-0.43665585	0.303914	0.4038743	0.41077954	0.999476	-0.04496488	0.6133481	-0.33190814	-0.14294288	0.4628955	0.44224325	0.5094765	0.08124497	0.44696495	0.99898475	-0.3719558	-0.27752337	-0.55761915	0.61233807	0.9999061	-0.99360377	0.077635184	-0.14057778	-0.04492611	-0.72035754	0.528841	0.13873206	-0.40037766	-0.81552064	0.9833374	-0.16581796	0.5255895	0.21191305	0.28770298	0.26014516	0.45973855	0.11187342	0.93696433	0.05605394	0.08672647	-0.1964036	-0.96736735	-0.10556819	-0.4841005	0.41683313	0.4688333	-0.76277643	-0.42237574	0.118839845	0.57829237	-0.94735473	-0.046605878	-0.12874876	0.30684918	-0.17020501	-0.28951928	-0.3557522	-0.19253872	0.7636177	-0.23762701	-0.17497323	0.4290176	0.43411675	0.25232354	0.45606425	0.5618713	0.5091248	0.575039	0.481238	-0.098750524	-0.12760538	-0.39702025	0.8927642	-0.99654657	0.2532967	-0.45831645	-0.3298965	0.3782712	0.34571642	0.38306314	0.99886936	-0.31571716	-0.28387552	-0.27366495	0.2861037	0.40519726	0.26771396	-0.58748686	-0.41998193	-0.12640624	-0.63133216	-0.2922191	-0.06245164	-0.5698807	0.048296742	-0.09953937	0.9077833	0.098508656	0.99392796	0.004292909	0.45935142	0.2888283	-0.22671497	-0.5673353	0.10016921	0.32028383	-0.562747	0.2454231	-0.46926537	0.1295629	0.12540427	-0.43528575	-0.8331748	-0.13527437	-0.20304325	-0.40635723	0.5081303	0.52208316	0.608239	-0.48971018	0.31478053	0.34268785	-0.13930288	-0.95385987	-0.4640645	-0.11825011	0.001412075	0.20441599	-0.47751454	-0.29661092	-0.6636316	-0.10505405	0.16111504	0.40189603	0.2804441	-0.26897097	-0.47686476	0.16305362	-0.25448996	0.99983317	0.44510925	-0.5603958	-0.13070245	0.99723774	-0.20395586	-0.5550413	-0.9983511	0.45465386	0.016845748	-0.21906632	-0.07632213	-0.320615	0.15045656	0.5367476	-0.6552046	-0.14371045	-0.4950374	0.36365923	-0.3512868	0.34481823	0.31953886	-0.9999211	0.9958411	-0.97925	-0.1969963	-0.15818869	-0.023982868	-0.2452881	-0.26123977	0.49190784	0.37222064	-0.23876144	-0.47426286	-0.034451976	-0.23035027	0.300066	-0.6506058	0.35335413	0.6739597	-0.4767252	-0.96976626	-0.9998389	-0.43088406	-0.33212262	0.26977175	0.32349858	0.1480457	-0.99685264	-0.69761235	-0.6997355	-0.10150787	0.052940253	-0.40987882	0.4344657	0.2629556	0.17114894	0.8187403	0.23966646	0.62388563	-0.49847448	-0.7335795	-0.08284516	0.25536063	-0.36809513	-0.46292195	0.11954421	0.25600722	-0.47591802	0.43625376	0.16276202	-0.64945215	0.23557986	-0.981457	-0.5140933	0.10398093	-0.26883867	-0.6444821	0.37409493	-0.53545195	0.2999949	0.16661762	0.14619647	0.99971294	0.3603189	-0.4845657	0.5069779	0.06671256	-0.16009088	-0.3610652	-0.3698546	-0.014123237	0.06931652	-0.63051474	0.6110137	-0.012130058
113	0	C#CC(O)C(CC)CCCC	-0.6409731	0.08341037	-0.17067805	0.33851552	-0.20792083	0.6969955	-0.6127037	-0.09244785	-0.2941221	-0.055789966	-0.5487765	-0.09146912	-0.20200418	-0.20650886	0.6174103	-0.57209134	-0.027045185	0.6770337	0.4360571	0.25647858	0.08926352	-0.7714687	-0.12623622	-0.38023186	-0.41315842	0.59291524	-0.19529916	-0.051001348	0.7449879	0.2653003	0.2312562	0.27169475	0.66992366	0.5442275	-0.005997652	-0.27570742	-0.2128899	0.4430568	-0.24391194	-0.7919802	-0.855622	-0.6262239	-0.41471955	-0.35364679	0.04490908	-0.9953964	0.50343245	0.103930734	0.9580682	0.67681265	0.56671154	0.13159212	-0.4087518	0.110772915	-0.91678226	-0.36159238	0.53907305	0.9690152	0.2098202	0.27784455	-0.680128	0.12278115	-0.1548557	-0.04659292	-0.16527022	-0.76715034	0.040556468	0.53949374	-0.23969188	0.004423079	0.69580305	-0.97083205	0.3933064	0.8669304	0.6779959	0.13619606	-0.07447164	-0.11968436	0.17535049	-0.9997132	-0.046226233	-0.09859464	-0.44314295	-0.3154333	-0.112708524	0.41443232	0.11758748	0.038491312	0.21893048	0.32830837	0.54180896	0.39749205	-0.33743545	-0.021564422	0.7584863	0.3137344	0.49005634	0.046374854	0.40235677	-0.19362324	-0.59621537	-0.14081433	0.023228556	-0.5960152	0.94875854	0.48565403	0.26120067	0.2979515	-0.7840136	-0.41305187	-0.73534256	0.05495789	-0.15175673	0.5503366	0.29443446	0.33807558	-0.062453654	0.20257112	0.99842244	-0.1512654	-0.49320227	0.13964592	0.25401294	0.09111394	0.2045782	0.32517225	0.11548872	-0.1369128	0.5157543	0.9995219	0.33089384	0.016722795	-0.03468038	0.16340931	0.19694057	-0.541761	0.11774002	0.21901368	-0.257972	-0.40538442	0.9987256	-0.040337868	0.99491125	0.01935857	0.70247674	0.052306306	-0.31997833	-0.34986287	0.9905401	-0.22820657	-0.4443517	-0.89267784	0.42659974	-0.2673101	0.66456455	0.3668668	-0.5403654	0.9987471	-0.56648904	-0.07098792	-0.9852916	-0.62120366	-0.16402976	-0.3948548	0.12527062	0.1793377	0.20984162	-0.3526958	0.36572757	0.001512489	-0.25134882	0.018133419	-0.47530714	0.32273686	0.15520704	-0.96817034	-0.6093247	0.2847775	-0.11154689	-0.46993122	-0.15646443	0.57631993	0.09537395	-0.016967757	-0.6459484	-0.18321821	0.29499075	0.04680237	-0.2408255	0.28421542	-0.67980486	-0.34685126	0.1746922	0.09248006	0.09576861	-0.47509894	0.5262969	-0.33426145	0.4618873	-0.30371192	-0.32652563	-0.5930514	0.18048583	-0.24669029	-0.31161505	0.20108263	-0.03024212	0.001969394	0.19820002	-0.9457657	0.47674444	-0.011230541	0.5604214	-0.42461008	0.2410262	0.10598131	-0.7968825	-0.50276494	-0.25747004	0.20963573	0.2313367	-0.29361945	0.34524107	0.27872592	0.9719715	-0.55771744	-0.22179659	0.29704913	0.010576732	-0.10187353	-0.41825593	-0.7294624	0.775045	-0.093021005	0.34175178	0.07663583	-0.25222233	0.080064334	0.21115471	0.017618071	0.88734746	0.3438453	-0.27909535	-0.6897412	-0.88647014	-0.111489244	-0.24530165	-0.12817143	-0.6042005	-0.17175743	0.11099644	-0.9997868	-0.33202806	0.61080104	-0.06609847	0.5338309	0.043879237	-0.34501004	-0.2630212	0.2019189	-0.375836	-0.12774639	0.46630234	-0.37643203	-0.6763317	0.13942006	-0.11716054	0.13386236	0.07015383	-0.2018499	-0.59136	0.7808213	-0.32659587	0.030989096	-0.42234316	-0.8642856	-0.3395055	-0.53143233	-0.020888416	0.5680701	0.23370852	0.99892604	0.14621475	0.03943494	-0.46508294	0.004404445	-0.3578215	0.41762203	0.5109817	-0.10176575	0.26405153	0.9990759	-0.19195142	0.78015834	-0.18808763	-0.7998281	-0.997864	-0.9796436	-0.22943532	-0.006402112	0.50576496	0.28649375	0.28814405	-0.297087	0.122381486	-0.68361354	0.99573636	-0.47031787	-0.12907481	0.5852132	-0.31542096	-0.4908547	0.3742203	0.15297535	0.8865609	-0.32808992	-0.33281723	-0.3938998	-0.9625463	-0.29096594	-0.100310825	0.5873379	0.24470767	-0.52270854	0.17430829	-0.3187213	-0.036491856	-0.8834136	-0.5302065	-0.07220899	-0.48484698	0.28616297	-0.37194404	0.57887757	0.29885283	0.24654043	0.13070627	-0.5819604	0.3946675	0.017948925	0.20321295	-0.055964354	0.49940532	0.4160774	0.30917135	0.1340283	0.33366948	0.18226619	-0.099809036	0.9594281	-0.99316835	0.1984127	0.53712636	-0.40091744	0.63263196	-0.22938761	-0.11335613	0.9988016	-0.32903817	-0.11208831	-0.18227488	0.35119894	0.13098833	0.28469115	-0.52792895	-0.7703569	-0.006255354	0.4005801	0.22875322	0.31964147	-0.38714042	-0.10765609	-0.59103435	0.92244035	-0.14839129	1	0.2934751	-0.017662197	0.51297575	0.2915108	-0.85503215	0.15419562	-0.36662278	-0.16643989	0.58317363	-0.4747815	0.34330657	-0.08484722	-0.3112082	-0.32339877	-0.53336495	0.62907857	0.5195807	-0.5031178	-0.061122913	-0.89493746	0.25006574	-0.6005886	0.66115385	0.18476272	-0.96633244	0.18114454	0.40394127	-0.021989666	0.20628382	0.470499	0.23346417	-0.4968543	-0.80771744	0.17919207	0.5293317	-0.04466587	0.08238034	-0.5298306	0.49760208	-0.3297833	0.99983513	0.3509591	-0.828354	-0.487613	0.99826396	-0.03575195	0.54384637	-0.99863106	0.13996442	0.4277587	-0.15290031	-0.64665693	-0.6134834	0.02056447	-0.47932035	-0.6767025	0.15148781	-0.018025488	-0.13668534	-0.02765446	0.34517097	0.1617739	-0.9996136	-1	-0.9948632	0.2746136	-0.36930266	-0.4980292	-0.15172294	-0.4834959	0.04511257	-0.32482138	0.4706644	0.1765716	0.1482483	0.063746296	0.122374065	0.13282467	-0.5310289	0.24338956	-0.28738093	-0.98515236	-0.99963987	-0.5961286	-0.3297387	-0.074754566	0.5208696	-0.2844712	-0.99089545	-0.3930575	-0.5266375	-0.24029389	-0.24406296	0.5146357	0.65389115	-0.93569696	0.42540568	-0.17884986	-0.12570105	0.7770481	-0.05398233	-0.59605384	-0.54350287	0.20890617	-0.6466616	-0.01918167	-0.6309709	-0.16641088	-0.2966114	0.047991302	0.09795399	-0.36948183	0.1348056	-0.29404613	-0.16473341	0.293513	-0.63479483	-0.9027561	-0.4926207	-0.21409199	0.28811163	0.22817479	0.53084487	0.99987835	-0.2547117	-0.87794757	0.2797246	-0.272098	0.6278751	0.02491448	0.09025139	-0.069907434	-0.10146637	0.33075446	0.78053576	-0.04991977
114	0	CCCCCCCc1ccc(O)cc1	-0.6823535	0.14273596	0.19294846	0.42074737	0.3685362	-0.11841009	-0.54369086	-0.07101642	0.13864174	-0.19880693	-0.8119445	-0.28327975	-0.040437736	-0.8915316	0.62442917	0.52265567	0.61330444	-0.2545311	0.39429334	-0.38784286	0.29730895	-0.8598099	0.11164471	0.5509173	-0.39162585	0.09195162	0.4017299	-0.13443281	0.61357933	-0.4531343	0.11847031	0.5395036	0.49312133	0.014245618	0.032587018	-0.55457217	0.10225107	0.6241853	0.25876617	-0.9504251	-0.99180573	0.06343347	0.16761026	-0.14224401	0.27706435	-0.99166596	0.15246014	-0.22402035	0.96371204	-0.027980855	0.70338166	0.004650123	0.29304826	0.21596462	-0.9208697	-0.13599846	0.802219	0.9753752	0.5446702	-0.16294797	-0.32330287	-0.39899102	0.11145877	-0.030461451	0.17076458	0.17184633	-0.4121784	0.43346894	0.39364573	0.09733275	0.82753533	-0.7199489	-0.037029993	0.22644638	0.87764025	0.46915624	0.02936959	0.06676494	-0.14530505	-0.99816257	-0.78802025	0.123360604	-0.888953	-0.39472586	0.08430808	-0.77158004	-0.07731491	0.27299717	0.08503552	-0.7909104	-0.39285955	-0.14174494	0.3285224	-0.01239901	0.26492935	-0.3755913	0.7827242	0.10753847	0.34286186	-0.2461387	0.22921886	-0.13432746	0.48744854	0.80994767	0.8438856	0.6033328	0.4201816	0.20067516	-0.9372379	0.3082226	0.40533656	-0.13731875	0.6058131	0.050823458	-0.2120412	0.5059885	0.20309903	0.18034294	0.9976102	0.56279516	0.2501835	-0.0000270	0.025248084	-0.10640074	-0.5393274	0.4082638	-0.041855272	0.036433518	-0.020193757	0.99996555	0.01914052	0.35757285	-0.33247277	0.080181934	-0.52910805	-0.38779172	0.17365807	0.7754053	-0.5537743	0.007652935	-0.996106	0.00921234	0.9958895	0.04583045	-0.23197405	-0.06857972	0.20158122	-0.38604113	0.9837184	0.41608948	-0.15653872	-0.8216034	0.76221436	0.40254962	0.018889684	0.20542833	0.2292868	0.9973174	-0.14447124	-0.5196404	-0.9880181	-0.036675222	0.2786796	0.52890104	0.41752878	-0.06574224	-0.0724775	-0.36300898	-0.43740076	-0.4842102	-0.061677735	-0.092489526	0.30550942	-0.1026001	0.09063881	-0.9870634	-0.54010636	0.56656086	-0.6944755	-0.3917951	-0.024393808	0.6394918	0.5148355	0.639234	-0.9108118	-0.023023328	-0.16245873	0.43292382	-0.45285875	0.32117823	-0.308437	0.22709055	0.42070055	0.544269	0.050767068	-0.17980812	0.23953995	-0.37519756	0.6521052	0.14344846	-0.30393168	-0.43594024	-0.011134283	0.5122403	0.33820695	-0.43475875	-0.08827375	-0.74783427	-0.15105683	-0.9700511	-0.3697531	0.1817338	-0.05891909	-0.6525835	0.26946712	0.013572576	-0.26698446	0.3915722	0.3161684	0.116460584	-0.3287609	-0.015236726	-0.4572811	-0.48683122	0.9988403	0.5421556	0.27382794	0.35752878	-0.37556702	-0.3375829	-0.12100077	-0.33428767	0.5539663	0.37675947	-0.2165702	0.048656445	-0.016797272	-0.49151078	0.4266558	0.25326705	0.9007159	-0.32527387	-0.30070725	-0.44147813	-0.13312466	0.3894058	0.20149188	0.26422372	-0.21744445	-0.08605468	-0.10503285	-0.9978389	-0.2754137	0.70929	0.01726162	0.15359977	-0.24003166	-0.35043675	0.5850609	-0.2571372	-0.6246498	0.3141897	-0.6290797	-0.6871928	0.55499613	0.38216367	0.68472207	-0.44935095	-0.6973401	-0.015764434	-0.27142504	-0.40655282	-0.1584989	-0.15389688	-0.47707283	-0.31639308	-0.06062493	-0.26397356	-0.32739088	0.67093027	-0.15657893	0.9993959	-0.21957976	0.6762882	0.16518518	0.11653213	0.04460802	0.30952975	0.8440728	0.5038319	-0.24907306	0.9990309	-0.24514194	0.24724604	-0.25616306	0.70083123	0.99713427	-0.9968026	-0.003053741	0.1921144	-0.16933881	-0.31145942	-0.05579017	0.35886997	-0.019766469	-0.933478	0.9811799	0.59319735	0.1987966	0.16297814	0.46470127	0.12507318	-0.039459217	-0.26013792	0.94001144	0.06322425	-0.13285038	-0.17471375	-0.9492721	-0.47785997	-0.2990091	0.10371687	0.1646026	-0.84290016	-0.4970475	-0.62306863	0.5104564	-0.970538	0.52789515	0.44734228	0.18126856	-0.25764474	0.3032893	-0.3014821	-0.07611624	0.8835606	0.12503006	0.26738957	0.7369915	-0.1853767	-0.35503006	0.3600381	0.38905263	0.76683795	0.28300032	0.11004304	-0.4379473	-0.37302098	-0.07355735	0.89216626	-0.9965753	0.041799966	-0.7221659	-0.27983773	-0.14848979	0.040460613	0.67966306	0.999111	-0.24805227	-0.16426694	-0.15732735	0.30433705	0.3828038	0.10364377	-0.7992178	0.28818086	-0.5691451	-0.75604105	-0.43491307	0.19982465	0.16382083	-0.2811917	-0.7156768	0.92272216	0.30191	1	-0.13326778	0.24664092	-0.32301283	-0.085646436	-0.69471145	-0.32466593	0.75033873	-0.6658615	0.32866868	-0.53445405	0.2459912	0.4434984	0.047072794	0.411327	-0.19605075	-0.010843085	-0.33325928	-0.4220047	-0.1376576	-0.6280241	0.28665233	-0.5569515	-0.5252463	-0.28072912	-0.96494126	-0.14800565	-0.52614397	0.10199378	-0.03073817	-0.28996953	-0.49139768	-0.6728813	-0.29342726	0.51536226	0.5904232	-0.2188669	-0.28488275	-0.298532	0.20551477	-0.62096626	0.9998807	0.38948435	-0.97190493	-0.15889685	0.9990179	-0.6369754	-0.45486155	-0.9982268	-0.054918524	-0.23408097	-0.37152582	0.12413117	-0.061244294	0.661493	0.14621541	-0.79650295	-0.07532107	-0.16856316	-0.31906515	0.1392365	0.003337815	-0.15589732	-0.9998734	-0.99882716	-0.965135	0.5514521	0.001829698	0.122261435	-0.37057373	-0.59335697	0.69490695	-0.11745594	-0.05176391	-0.16307808	-0.67864656	-0.5555233	-0.14949271	-0.41964233	0.22913533	0.28094304	0.078210644	-0.9625122	-0.9997944	-0.49795088	-0.6558734	0.31437752	0.54195845	-0.20388138	-0.997598	-0.2112182	-0.6574073	-0.4506398	-0.38482305	0.03799073	0.3267037	0.9158252	-0.15337208	-0.08472555	0.6020365	0.64661837	0.32120124	-0.86461073	0.24004214	-0.400908	-0.46327034	-0.27182272	-0.37744278	0.40018395	0.19339882	-0.30405536	0.01967904	-0.6644803	0.2764937	-0.32769853	-0.6161809	-0.21416682	0.12671404	-0.52107173	-0.013302508	-0.36666235	0.032394964	-0.15562823	0.2814432	0.99992174	0.69077855	0.44803035	0.39440376	0.6756012	-0.25527096	-0.011780055	-0.121697895	0.013346922	0.50970554	-0.37770006	0.6018537	-0.24682288
115	0	COc1cc(C=O)ccc1O	-0.19669022	-0.47340646	0.16913597	0.043412957	-0.14237742	0.15213028	-0.11596768	0.17619582	-0.34646878	0.53933036	-0.27559087	0.16429307	0.4556962	-0.6722985	0.2134947	0.485719	-0.3745665	-0.064330734	0.11801631	0.062847726	0.5252682	-0.8566037	0.36526313	0.67808855	0.073362485	-0.5592554	0.42766702	-0.3749928	-0.47847745	-0.20691483	-0.13725044	0.16952775	-0.011242344	0.3862585	-0.39756322	-0.23678517	-0.20406833	0.6200379	-0.2691417	-0.84869057	-0.9909079	-0.06523772	-0.20828433	-0.5367569	0.46020302	-0.9953567	0.08354236	-0.47056955	0.98628014	0.16986142	-0.31667158	0.21583582	-0.32241815	0.41118103	-0.94438803	-0.2440788	-0.579575	0.96961695	0.27492908	0.13065793	-0.012599179	-0.09719855	0.44297487	0.003509697	0.08107672	0.42182028	-0.12972438	0.1147495	-0.4087843	-0.064869925	0.6911606	-0.99825794	0.1167715	0.12329759	-0.013932101	0.5351051	-0.65127176	-0.09441693	-0.29969287	-0.9987279	-0.5421408	-0.18163781	-0.9271154	-0.23878224	0.17074384	0.81421864	0.5772728	-0.22902602	0.08762157	-0.19849178	-0.10851383	0.10141071	0.04319041	-0.20616657	0.9807678	-0.29628053	-0.2061176	-0.13896513	0.398008	-0.030704979	-0.000381455	-0.078888744	0.17644976	-0.7202302	0.96341187	-0.6621067	0.5990998	-0.32463318	-0.8656757	-0.003104177	-0.34076193	-0.3407647	0.017312197	0.41993046	0.15839964	0.31194893	0.4502507	-0.17674088	0.9990241	-0.26778322	-0.29865676	-0.64697325	-0.24713258	0.080753654	-0.079339094	-0.07866745	-0.41750228	0.58879393	-0.60480285	0.99361473	-0.4411126	-0.39348644	0.16653475	-0.08518364	-0.55939025	-0.60633653	0.3314228	-0.4667768	-0.5492424	0.07122341	-0.99542385	0.23528631	0.96847636	0.40318462	0.49841598	-0.28697887	-0.20869893	0.09068659	0.9923824	0.001298617	0.059330728	-0.621405	-0.2583383	-0.115027085	-0.41858798	-0.26504052	0.19741942	0.9990749	-0.45447904	-0.85375905	-0.9940287	0.3557436	0.45455143	-0.54716706	-0.37328374	-0.19243951	-0.12446484	0.20196335	-0.14947462	0.35921687	-0.7113117	0.026383614	0.07631311	-0.61572367	0.077436075	-0.98210156	-0.7859589	0.029109756	-0.56262827	-0.53317416	0.012728212	-0.88218653	-0.4525584	0.029664692	-0.79881483	0.20893408	0.18226239	0.26603416	0.039627306	0.25089863	0.8067121	0.4553461	-0.07462246	-0.036088884	0.107798204	-0.30478117	-0.34161893	-0.32426322	-0.08458543	-0.09026315	0.09591189	-0.105563894	-0.5042064	0.109462164	0.49193013	0.1997464	0.007201052	0.5038054	-0.098145	-0.86831063	-0.22467406	-0.6458874	0.713766	-0.36939797	0.0735582	-0.1365087	-0.17324615	0.06558174	0.018726574	0.27802286	-0.7319898	-0.19114694	0.08479764	0.2815666	0.9938617	-0.19769876	-0.30292252	0.3320834	0.3456244	0.27967352	0.102509804	-0.28336823	0.7549781	-0.38695276	-0.38573423	-0.36692545	-0.26393047	-0.4132588	-0.3827292	-0.18364303	0.92739683	-0.09118549	-0.121366166	-0.70106274	0.58410484	-0.66023636	0.16460253	-0.03933144	-0.070947625	-0.48338237	-0.19366999	-0.9982654	-0.18957482	-0.38605705	0.065870486	-0.23648381	0.123375654	-0.31241482	0.10966358	-0.049584355	-0.664495	0.5057818	0.1490633	-0.17598939	0.31238905	-0.13428248	0.2857713	0.46794447	0.02065677	-0.34926614	-0.06635438	-0.49620685	0.30589867	0.17355472	-0.31179056	-0.27163744	0.15418918	0.6517964	-0.10015457	0.7919677	-0.1201983	0.9991362	-0.54770756	0.49042258	-0.42261025	0.31745747	0.25354788	-0.6345305	0.1818393	-0.25305486	-0.11223777	0.999463	0.19298604	0.8932708	0.3825023	-0.14612341	0.99614555	-0.5877119	0.05778493	-0.5767552	-0.1407809	0.24589536	-0.38161132	0.61328757	0.09903439	-0.36869234	0.9983667	0.18249072	-0.3150187	-0.1847922	-0.3059147	-0.24072944	0.21758905	-0.33317402	0.41548675	-0.113081686	0.15507337	0.016122274	-0.98691416	0.046397127	0.56191045	0.4426698	0.14120081	-0.6529409	-0.06586157	-0.38232458	0.3228712	-0.80919033	-0.15560728	-0.6871727	0.16561818	-0.40259802	-0.30246615	0.05013432	0.21058494	-0.7204427	0.28917423	0.10040364	-0.5366153	0.07890263	0.7272472	-0.29410815	-0.09990837	0.3650393	0.35626143	0.6422082	-0.068085894	-0.33268785	0.20154521	0.96045303	-0.9938363	0.21514599	-0.45578662	0.087096445	0.06636339	0.5418828	0.25392312	0.99400306	0.38106418	0.37098676	0.26474556	-0.2508083	0.20873764	0.021970117	-0.34594396	-0.59077775	0.038604733	-0.50190586	-0.20871493	-0.20603426	0.35576567	-0.24833575	0.5099219	0.9376179	-0.26335123	1	0.1804523	0.23972061	-0.0919319	-0.15286733	-0.905203	-0.6356959	-0.15246901	0.09221846	-0.22186203	-0.6336353	0.3787634	-0.3579319	-0.46129566	0.7664287	0.42434335	0.4410956	-0.16185762	0.018703459	-0.1715813	-0.45485786	0.12817168	0.7035271	0.87826663	0.72240275	-0.59770954	-0.24293464	0.025687968	-0.09437726	-0.23440212	-0.18924996	-0.31900683	0.26263744	-0.22724813	-0.40802178	-0.064343266	0.6071453	0.1420011	0.014820518	0.70579696	-0.58030176	0.99994713	-0.114827886	-0.99478835	-0.25779197	0.99811417	0.3961162	0.17469765	-0.99780864	0.2217686	0.60813355	0.42214987	0.26776683	-0.25221333	-0.003119811	0.15600559	0.7793404	-0.21204096	-0.31977478	0.32811302	-0.32997528	-0.007495093	-0.0668826	-0.99983025	-0.99972415	-0.9965296	-0.3720917	-0.6048844	0.80398744	0.040314857	-0.41760063	-0.84765655	0.2588863	-0.10879617	-0.66013455	-0.89074445	-0.16455655	0.017574064	0.109524816	0.32118794	0.37252274	-0.1194914	-0.9916332	-0.99983406	-0.36080614	0.548328	-0.19897293	0.05426109	-0.17752405	-0.85218	0.27918077	-0.5707272	0.046576735	-0.23520717	-0.11006027	-0.035864532	0.93632543	0.38557628	0.8053338	-0.09148675	0.41034666	0.10744334	-0.49495438	0.16206016	-0.176329	-0.32295913	0.8585075	-0.43053576	0.12045951	-0.44055885	0.16540661	-0.29401848	-0.0809718	-0.045511063	0.6464021	0.19982259	0.7237224	-0.092231356	-0.90687114	0.52734005	0.07433282	-0.034959435	0.23150328	0.15568292	0.9994069	-0.3192058	-0.07817898	-0.65226984	0.11753457	0.15523651	-0.40358666	0.6979888	0.19706568	0.07299507	-0.40056106	0.6542912	-0.18911482
116	0	CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1	-0.57696253	0.21662147	0.059624568	-0.2986842	0.8904238	-0.4139189	0.20069006	-0.7429221	-0.33790064	-0.23480059	-0.92492855	0.09125222	0.1072185	-0.6573602	0.17842641	0.45399275	-0.52437747	0.1431869	-0.48360187	0.71212167	-0.4151992	-0.12392141	0.48358756	-0.7307009	-0.28423795	-0.36266348	0.20770057	-0.0807604	0.6200647	-0.33706498	0.031011939	-0.64520043	-0.3531516	0.1627599	-0.5893143	0.24154711	0.05714544	0.75490814	0.9997029	-0.75851	-0.27873433	-0.24214604	0.5500527	-0.46277854	0.031231651	0.72056025	-0.07703343	-0.16263446	0.98683447	0.6838316	0.1433146	-0.38023457	-0.12330748	-0.054284703	-0.4782928	-0.0230806	0.059698116	-0.79134065	-0.4106455	0.22631882	-0.08609352	-0.3555306	0.5473712	-0.7476122	-0.48504096	0.5830828	-0.5701922	0.8107442	-0.06959009	0.72794443	0.028876578	0.5633634	0.36775854	-0.29092816	0.8759717	-0.33832255	0.3679072	-0.63446623	-0.3394824	-0.99620533	0.066529155	0.16174896	-0.89572453	-0.25890523	0.23397249	-0.9776818	-0.30940965	0.14075328	0.21108	-0.57956576	0.5173899	-0.3745857	0.30209944	-0.3195278	0.94953334	0.077259086	0.8260539	0.3034281	0.38913107	0.028524572	0.023377849	0.64324313	-0.63886565	0.9719943	-0.99969375	0.20907265	-0.047461145	0.11171745	-0.88600713	-0.38863352	0.52131194	0.001323445	0.043437924	-0.48685017	-0.37556484	0.57744175	-0.5712313	0.31502348	0.80622214	0.7030731	-0.05030245	0.21468356	0.40444687	-0.24536271	-0.33267784	0.08264507	-0.37571812	-0.23890711	0.019479565	0.9999709	-0.22880612	0.17418814	-0.40276736	0.5015563	0.105552	-0.98182696	0.38159856	0.88814163	-0.5735869	-0.58094466	-0.99998915	0.8082832	0.90661985	-0.70958996	0.46343553	-0.14402051	-0.59929127	-0.17992127	-0.9987225	-0.20199695	0.15603276	-0.84170824	0.5873594	0.28719532	0.123757355	-0.2089386	0.4146255	-0.95763296	-0.85798997	-0.62089443	-0.09829236	0.29829028	-0.17142442	-0.025663653	0.070581935	0.021353029	0.78739196	0.16980922	0.29113865	-0.3617269	0.0338326	0.11165107	0.13383938	0.4002848	-0.55029106	-0.909848	-0.51699996	-0.061416913	-0.66339815	-0.6753879	0.25131974	0.5983346	-0.08609733	0.5404855	0.68366474	-0.19256032	0.13978799	-0.044915874	0.3223832	-0.2477874	-0.32937837	-0.5295918	-0.5908409	0.08848848	0.669249	-0.5697978	-0.11827939	-0.75828844	0.724878	-0.061013166	-0.29014444	-0.50526357	0.22389136	0.46582407	0.5624777	-0.020836705	0.2904576	-0.7276504	0.053440556	-0.99993914	0.23223999	0.014074249	0.49718788	0.13589695	0.20136961	0.31355992	-0.04285471	0.5626856	-0.4493642	-0.6590211	-0.2960461	0.29955152	-0.79756075	-0.572591	0.8319533	-0.17918514	0.5644561	0.24682632	0.19529483	0.30964935	0.21422768	-0.15046331	0.5919415	0.355739	0.15798636	-0.34900618	0.49468	-0.37331912	0.6729085	0.09814834	0.86067283	0.25234255	-0.13962172	-0.46363112	0.7377479	0.11461139	-0.045249473	-0.09710135	0.35782728	-0.4529369	-0.44194898	-0.7651139	-0.4026718	0.19979359	0.8620515	-0.28241503	-0.25974944	0.50680816	0.3703529	-0.23500212	0.042845745	0.42201358	-0.14498751	0.12262388	0.6721706	-0.28644535	-0.50488645	0.12182565	0.589366	-0.37107843	-0.18621002	0.99662066	0.09579658	-0.5565395	0.22597468	-0.6622014	0.46428874	-0.49707574	-0.59152985	0.061065346	0.14522019	0.97501594	-0.35665864	-0.29197586	-0.03793864	0.13187955	-0.09880358	0.91174513	0.09358811	-0.06993648	0.18653403	-0.16461843	0.6509543	0.5897272	-0.21412116	-0.7424041	0.9999985	-0.9991898	0.24400732	0.28576574	-0.06043453	-0.28740212	-0.3247818	0.31513572	-0.054996975	-0.9674256	-0.99824464	0.34942368	0.77797383	-0.056730196	-0.40070328	-0.27517867	0.3450807	0.17221034	0.9052278	-0.45765337	-0.30992055	0.1555337	-0.9238424	0.66982377	-0.6085689	0.17905772	-0.020682514	-0.5990008	-0.49332497	-0.79479927	0.56589204	-0.93652385	0.5371357	0.27499795	-0.15382244	-0.6087295	0.4796451	0.3711012	0.16743407	0.97778934	0.5612933	0.18476263	0.093832284	0.30638415	-0.6215393	0.53589195	-0.31659532	0.5599351	0.25801453	-0.37779593	-0.6144131	-0.14169921	0.4561309	-0.94755745	-0.63321173	0.68104	0.14644481	0.32952175	0.15443836	0.38145137	0.29180166	0.99984455	0.60635203	-0.09435003	0.2638502	-0.4175063	0.024423484	0.21423523	-0.9575192	0.660098	-0.5435269	-0.44482127	-0.8000132	0.83013606	0.43407357	0.7468062	0.2701658	-0.3798408	0.30310476	-0.98962045	-0.40346542	0.34872785	0.38518074	0.7534685	0.021730822	0.15222372	-0.4731681	-0.52043205	-0.38510475	0.49480295	0.5623123	0.34456837	-0.21654825	0.5573029	-0.15819302	0.73291147	-0.5236503	-0.60034305	0.37415138	-0.43937796	-0.4942164	-0.9281103	0.22569256	-0.7365729	-0.36157566	0.18875727	-0.24912348	0.16237374	-0.16020764	-0.3279105	-0.30506977	-0.82574177	0.26840854	0.22584137	0.19518386	0.52105427	-0.4826772	0.10643672	-0.079599336	-0.15329835	0.9998335	0.54062986	-0.9772029	0.6905398	0.998396	-0.38329697	-0.32566133	-0.99892235	0.5429977	-0.7678742	0.2541537	0.22649246	-0.61184067	0.799354	-0.69315374	-0.84251606	-0.64846563	0.46385854	-0.1609506	-0.5987864	0.20561054	0.2595127	-0.999816	0.99999815	0.69995755	-0.098525755	0.4606386	-0.22023684	0.3390308	-0.648369	-0.31274593	0.37856302	-0.22417465	-0.1526909	-0.9102459	0.23096348	-0.52155405	-0.5396415	0.60389245	-0.4558395	-0.007979111	0.97399765	-0.9986536	0.31730887	-0.15401131	-0.09130711	0.572601	0.19755869	-0.98901135	-0.27371213	-0.433452	-0.17163178	-0.81491107	0.14707331	-0.39476418	0.9733244	-0.4642179	0.08220127	0.66858417	0.81184	0.00360342	-0.80289274	-0.31332415	0.21694423	0.25173625	-0.704733	-0.9945194	0.17037344	-0.16376583	-0.5231875	0.20923653	-0.6163461	0.20626248	0.6059317	0.077290356	-0.5094119	0.6076718	0.9995166	0.25715697	-0.1186977	-0.030285891	0.4801289	-0.2274772	0.999024	0.8022751	-0.71293306	-0.2741851	0.24560675	-0.10756012	0.6124667	-0.9990664	0.047532205	0.83738774	0.21939774	0.50578314	-0.08840826
117	0	Nc1ccc([N+](=O)[O-])cc1	-0.64759386	-0.03007347	0.22638835	-0.012158173	-0.37362853	-0.32692233	-0.74124724	0.15501586	0.47395706	0.008479469	-0.26324946	-0.16524287	-0.10368446	-0.15277055	-0.14573672	0.3840075	-0.2781951	0.5015401	-0.19819365	0.4671407	0.8262531	-0.7586943	0.3657675	0.2731116	0.017259749	-0.151647	0.28702915	0.4989583	-0.14404777	-0.6678345	0.29811013	0.18317348	-0.25604272	0.29991594	0.2779452	-0.40485293	-0.44987425	0.73722714	-0.37092236	-0.84826416	-0.9955257	-0.48974955	-0.34082097	-0.52906203	0.033231746	-0.9977322	0.46125326	-0.029453574	0.97179705	-0.6291253	0.38404828	0.1844322	-0.4017243	0.04888501	-0.93794113	-0.11227521	-0.5693818	0.96486795	0.29092625	0.29108027	-0.36313495	-0.2408315	0.3185063	-0.218007	0.3844567	0.61222994	0.66759646	0.50334126	-0.21180442	0.14848532	0.77904344	-0.9984411	0.4974144	0.3063592	-0.44003695	0.40521884	-0.087210245	-0.1169868	0.3802779	-0.992031	-0.12384252	-0.124428205	-0.80716723	-0.7131286	-0.081522115	0.74067694	0.14633928	-0.046795454	-0.58887804	-0.27487168	-0.3356157	0.11875342	-0.3519792	-0.20189607	0.9418444	-0.38442972	-0.5880748	-0.45579943	0.67339796	-0.18887036	0.3808479	-0.74458236	-0.05152792	-0.59042805	0.96661544	-0.6338108	-0.17612255	0.15538654	-0.77295357	0.5466504	-0.07458722	-0.53558445	-0.37877485	0.080518365	0.020698162	-0.3125926	0.48069915	0.13383166	0.99965656	-0.4896439	0.22541781	-0.50177747	-0.14754908	-0.5488303	-0.18054506	-0.13214043	-0.34113118	-0.3303461	0.052662786	0.9897367	0.036773633	0.22890168	0.06990594	0.16715369	-0.3321047	-0.027092734	0.42103234	0.0930046	-0.5043066	-0.14729556	-0.9971886	-0.15369804	0.9108132	0.07142311	0.34692866	0.3205284	0.365473	-0.6157617	0.9978063	0.043613743	-0.030248782	-0.01594804	-0.52113414	0.023502737	-0.19346038	-0.13931055	-0.04314765	0.99955183	-0.18693313	-0.5295707	-0.99577326	-0.07970902	0.15680319	-0.1657203	0.007914802	0.43309882	0.09132926	0.3258837	-0.18594117	0.16158278	-0.62936985	0.12139947	0.29161182	-0.5592013	0.34100753	-0.9674192	-0.8136704	-0.33949515	-0.39469737	-0.072847255	0.59538984	-0.9896859	-0.21862355	0.48099852	-0.8942538	-0.16909954	0.5023945	0.3090825	-0.2537541	-0.22409123	0.6938513	0.49511313	0.29541606	-0.1333477	-0.3717755	0.2625602	0.48292792	0.78476053	-0.035400804	-0.07977884	-0.30710435	-0.08632987	-0.6296156	0.22506516	-0.37324437	-0.65934134	0.2660349	-0.052600097	-0.1169405	-0.5475637	0.16697745	-0.30023992	-0.16285819	-0.5831175	0.12559769	0.587947	0.5335849	-0.121185064	-0.041980356	0.13992071	-0.06093824	-0.14459042	0.1337532	0.3303469	0.98961097	0.42600107	0.20159306	0.43046567	0.57443404	-0.5327197	0.001991355	-0.12653999	0.66863334	-0.2210124	-0.45383865	-0.22877635	-0.61789143	0.048170235	0.37866992	0.3994006	0.6412105	0.001688866	0.41404566	-0.18354583	0.42825136	-0.31364688	-0.05972505	0.28476903	-0.52172595	-0.24448416	-0.36186248	-0.99770343	-0.018594343	0.40303344	-0.1343516	0.33134937	0.10971119	0.38658783	0.21548074	-0.020083813	-0.774059	0.6378727	0.013650459	-0.1594282	0.6351745	0.27300373	0.25371793	0.28412336	-0.9325766	0.5852723	0.18909676	-0.96283686	0.5095822	0.09107891	-0.07369562	0.94010574	-0.03135132	0.24599831	-0.1148159	0.62371784	0.2542504	0.99963075	-0.25980768	0.7411664	-0.24617796	0.15976956	-0.49334973	-0.6039749	0.13446078	-0.1346942	0.46459725	0.99974555	0.030001944	0.69142723	-0.033686038	0.4398596	0.99889916	-0.40911326	0.28731507	0.21192284	-0.5161179	0.66237146	-0.538719	0.37879065	0.36012414	-0.23592432	0.9991404	0.10057009	-0.30760625	-0.21278116	-0.27407455	0.03452359	0.43676192	-0.51803786	-0.5649704	0.21027665	0.33480537	0.4775553	-0.99158233	-0.16143668	-0.07229361	0.18284063	0.13637078	-0.68936336	-0.21724837	-0.55992377	0.44725335	-0.8711804	-0.536544	-0.1469891	0.30075815	-0.23702635	-0.3516119	-0.047318883	0.1316787	-0.7676031	-0.3198251	0.122211054	-0.51175636	0.052414916	0.43972543	0.10768869	-0.59611756	0.6478832	0.11706891	0.4644143	0.49448034	-0.3660337	-0.22520937	0.94696367	-0.99643046	0.06672622	-0.56424993	0.092199184	0.08423467	0.2940235	0.1626001	0.9838484	0.22845584	0.15997232	0.13987634	0.50006497	0.7302658	-0.15000658	-0.26654395	0.101871245	-0.26955572	-0.75084335	-0.33668375	0.51819557	-0.0594696	0.2421079	0.3533413	0.95639414	0.26103273	1	-0.3925033	-0.2391062	-0.29725918	-0.3935128	-0.88856107	-0.0794115	-0.17391475	-0.8477676	-0.06718999	-0.46430105	0.077291995	-0.6242309	-0.42135808	0.72103035	-0.123419315	-0.6245561	0.33417583	0.396779	-0.5313102	-0.0900314	0.3904926	0.7679162	0.8282465	0.68255186	-0.2530173	0.06280801	-0.29183656	-0.07218247	-0.20838416	-0.17523931	-0.11212528	0.98868215	-0.16494924	-0.2317295	0.8433889	0.35238135	-0.48030213	0.5716329	0.41481555	-0.04065477	0.99998546	0.06015195	-0.98882383	0.07728626	0.9978612	-0.33350733	-0.4557493	-0.9983606	-0.58473605	0.55959463	0.6191692	0.28048122	-0.81080437	-0.3658466	-0.6970797	0.8761717	0.28610095	-0.82687575	-0.21688385	0.12594512	0.051791985	-0.12554444	-0.9999507	-0.9996444	-0.99749386	0.048992034	-0.2938356	0.068626754	-0.054424506	0.059918277	-0.7682951	-0.065701984	-0.13785206	-0.08577971	-0.75278634	0.24573933	0.44975817	-0.528095	0.39029968	-0.012464488	0.10530567	-0.99422944	-0.9999554	-0.25620633	0.10783575	0.0382342	-0.5418694	0.15880145	-0.5281651	0.2413678	-0.18215425	-0.32380134	-0.006153025	0.07251396	-0.25737327	0.9341813	0.50452834	0.90252674	-0.1808378	0.15880741	0.18352118	-0.16323961	-0.5330434	0.26054725	-0.50396484	0.79518324	-0.20853248	-0.33876586	-0.2803743	0.12032324	-0.582254	-0.4671732	0.011882544	0.45234886	-0.23052995	0.22547136	0.6621549	-0.9633886	0.20786528	-0.45819944	-0.46102193	0.035685122	-0.251705	0.9989959	0.2674172	-0.10218555	-0.26457906	0.24014594	-0.23533584	-0.2266234	0.83828425	-0.26298055	-0.8009116	-0.41326058	0.40678424	0.34618235
118	0	O=[N+]([O-])c1ccc(O)cc1	-0.44745517	-0.29982615	-0.21758142	0.5301039	-0.28815064	-0.1451776	-0.5639944	-0.08111947	0.41070166	0.29375434	-0.06157992	-0.019663088	-0.16969952	-0.32853174	0.12751672	0.24742323	-0.07067262	0.5027402	0.23661251	0.47584072	0.6355195	-0.80371183	0.31083813	0.29992276	-0.32445946	0.4528931	0.40743986	0.2544804	0.23145135	-0.624772	0.0760433	0.28286514	-0.10675484	0.44245243	0.31495452	0.20501979	0.22938426	0.7187566	-0.42122245	-0.9074665	-0.99858224	-0.017205795	-0.0653845	-0.22644383	-0.13068059	-0.9980081	0.41641712	-0.2888222	0.99060714	-0.16833588	0.50707364	0.02416813	-0.39032885	0.17275245	-0.9302127	-0.08214103	-0.65039396	0.96618116	0.032349844	0.54872644	-0.6168242	-0.54855335	0.07645767	-0.4306937	-0.20226431	0.6959738	0.6683354	0.59436315	-0.44968057	0.25911143	0.697058	-0.99823385	0.27562597	0.2584309	0.11072673	0.64184254	0.025551472	-0.18366559	0.2556482	-0.99800533	-0.42105764	-0.4179356	-0.8090896	-0.7406244	0.27532232	0.7574607	0.10213118	-0.40667215	-0.79187906	-0.310381	-0.03341498	0.07877249	-0.61602163	-0.13212077	0.9497726	-0.002755352	-0.33706224	-0.21450031	0.14436977	-0.2668434	0.5192613	-0.6344723	-0.07219302	-0.44666207	0.9620894	-0.54659283	-0.074929655	0.5335217	-0.8949331	0.24797577	-0.4363785	-0.56262684	-0.52812064	0.028671931	0.33072215	0.09601063	0.6627969	0.07876147	0.9997333	-0.3060728	0.01543051	0.15429543	-0.48910818	-0.051507946	-0.6442822	-0.13705157	-0.20828262	-0.12889634	-0.12833627	0.99110293	0.31470793	0.36558053	-0.2513684	-0.2482728	-0.7017531	-0.30867654	0.5490363	0.14002621	-0.48516166	-0.19751577	-0.99804145	-0.06773397	0.93761086	0.24999537	0.43649337	-0.15561092	0.051561095	-0.280773	0.9980622	-0.2905029	0.165876	-0.4799543	-0.3880641	-0.123661384	-0.2939003	-0.50862986	0.15468113	0.9996169	-0.16759816	-0.69089735	-0.9965152	0.11782078	-0.28237492	0.07192721	-0.3066934	0.47013456	-0.33335587	0.476864	-0.5470828	-0.325279	-0.55040336	-0.095916785	0.21616231	-0.18479148	0.11921755	-0.97611135	-0.8458777	-0.019016879	-0.44997102	-0.1457407	0.63523006	-0.97757685	-0.33219102	0.2723983	-0.91337454	0.07032668	0.37165132	0.5913863	-0.5497154	0.13478404	0.7360463	0.57004815	0.49886903	-0.39005622	-0.4014278	-0.4794817	0.39509866	0.8330794	0.2961871	0.2821595	-0.6193666	0.060075182	-0.48674706	0.2600263	-0.18619989	-0.42436936	0.5678039	0.3032347	-0.21868205	-0.49138647	0.21090639	-0.13482578	-0.11542738	-0.3426129	0.07513047	0.56231177	0.52853894	-0.29701707	0.14692782	-0.1777178	-0.3222159	-0.060136415	0.329213	0.49115655	0.9977977	0.3989751	-0.2064287	0.61708826	0.15996385	-0.062199656	-0.47867608	0.22805496	0.44963363	-0.24120758	-0.6185581	-0.2783716	-0.43174025	-0.2372204	0.4008363	0.31619486	0.48585597	-0.12188357	0.13554655	-0.3272091	0.3703646	0.30484125	0.16684675	0.11526284	-0.47940236	-0.33982491	-0.22422662	-0.9975555	0.05383718	0.38139558	0.43251786	-0.26105836	-0.35768285	0.2892809	0.43890926	0.29869458	-0.7604142	0.5389737	0.36398333	0.11019166	0.47717506	0.15114266	0.39970797	0.7987719	-0.6063601	0.12161347	-0.13556111	-0.9082834	0.6374284	0.30500042	-0.3958132	0.9024612	0.046253804	0.083540626	-0.36130026	0.08977691	0.30757642	0.9997144	-0.49544305	0.71987444	-0.06283681	0.099151276	-0.26385972	-0.7372103	0.6234078	0.21875453	0.58857524	0.99982655	0.50917894	0.6134433	0.030827394	0.6783188	0.99916726	-0.546381	-0.053933725	0.28045103	0.0297077	0.42567095	-0.4351814	0.31687656	0.19415049	0.026132816	0.9990918	0.037969224	-0.50276977	0.0889154	-0.34527135	-0.109113224	0.120203175	-0.003862573	-0.5550866	-0.16885777	0.31153655	-0.12962006	-0.9863105	0.30939662	0.31622887	-0.023238286	0.37460384	-0.7538617	-0.34793276	-0.34404498	0.11898041	-0.8923064	-0.52187103	-0.2309359	-0.10280062	-0.22633366	-0.3469017	-0.5735373	0.23545186	-0.7871601	-0.25003952	-0.28864408	-0.60086274	0.07633134	0.5139893	0.0916622	-0.47927818	0.77509624	0.3803666	0.07865696	0.36978808	-0.6288588	-0.5470591	0.9619364	-0.99724865	-0.05715219	-0.63270944	-0.18037273	-0.07612542	0.041778725	0.20484455	0.98647124	-0.3601432	0.23943177	0.2952406	0.44836122	0.18813576	-0.0857261	-0.39359522	-0.006599838	-0.3334187	-0.6022069	0.03707412	0.63461393	-0.17035699	0.40937886	0.31118697	0.968663	0.6369965	1	0.30171695	-0.56585276	-0.40508834	-0.5341573	-0.92960674	-0.63495713	0.19620255	-0.78265405	0.34260342	-0.48983476	0.41216996	-0.5892033	-0.15310678	0.75237787	-0.31123084	-0.072611324	0.07938969	0.39604685	-0.45689258	-0.2983752	0.3830196	0.66658837	0.8046837	0.6136836	-0.44117102	0.063024916	-0.38517433	0.046491344	-0.16066162	0.3694031	-0.51699644	0.99079883	-0.6352553	-0.07484991	0.6355621	0.4120635	-0.29194212	0.10029208	0.7009088	-0.38632032	0.9999778	0.2335742	-0.99485594	-0.402379	0.9977013	-0.48770532	-0.13183884	-0.9968977	-0.3831387	0.5958256	0.56879103	0.3242908	-0.83579236	0.1677911	-0.14440836	0.7822333	-0.1523937	-0.60072917	-0.117026545	0.09784572	-0.2996262	-0.09779356	-0.9999766	-0.9995455	-0.99702126	0.64036655	-0.17313279	0.2811821	-0.30424124	-0.16248204	-0.8101478	-0.18485278	-0.07554194	-0.328536	-0.8221167	-0.1499891	0.41126207	-0.35256395	0.475017	-0.3314202	0.03672742	-0.9952977	-0.999972	-0.38571855	0.12546489	-0.14620247	-0.25663218	0.019927552	-0.78535867	0.45417017	-0.5873437	-0.3027549	-0.38128176	0.15759249	-0.18248132	0.91594595	0.09675019	0.90907556	0.12941071	0.5787289	-0.011085807	-0.43249565	-0.525572	-0.25938454	-0.35218024	0.7709429	-0.291553	-0.5316605	-0.381632	-0.22042906	-0.5042393	-0.6886425	-0.0230232	0.33494204	-0.46109727	0.000647761	0.18835777	-0.95829934	0.20115589	-0.011995372	-0.7228111	0.34123147	0.13440609	0.9989907	0.45366588	-0.3340211	-0.35288814	0.31851053	-0.3920065	-0.1695637	0.82491404	-0.07877832	-0.44218603	-0.6712316	0.6869893	-0.029175213
119	0	CCCCCCCCCc1ccc(O)cc1	-0.67343265	0.124916576	0.159472	0.50821006	0.43616045	-0.18043949	-0.44846782	0.15888414	0.2637066	-0.06789226	-0.876925	-0.27380747	-0.031672124	-0.8771175	0.46353626	0.6341972	0.524088	-0.42807353	0.27538383	-0.39246914	0.06592731	-0.8442684	0.15309061	0.41173545	0.104805805	0.36788946	0.3796264	-0.3124045	0.620393	-0.3813697	-0.23954023	0.5519712	0.6499082	-0.11551739	-0.12581043	-0.40506664	-0.07222058	0.7122755	0.7300368	-0.94124943	-0.9863439	0.14898422	-0.00348358	-0.14652522	0.01671598	-0.98304653	0.02363063	-0.28169072	0.952533	-0.17655808	0.7472183	0.060732495	0.1292959	0.09040917	-0.90849626	0.01663012	0.80997896	0.9619262	0.33686185	-0.36334106	-0.28675255	-0.18765806	0.10317447	0.21700954	0.26056254	0.13748093	-0.53631884	0.53749925	0.3965667	-0.15751502	0.66252095	-0.3059741	-0.41484204	0.2480561	0.8838817	0.5072843	0.08056394	0.058711022	-0.08618995	-0.99832374	-0.6855621	0.15505768	-0.8802108	-0.26104566	0.39030245	-0.9139926	-0.48963535	-0.02885934	-0.15994567	-0.70538795	-0.48507723	-0.15972725	0.36036375	-0.15008417	0.3718157	-0.3048512	0.86342716	0.21330015	0.15436251	-0.27708647	0.24575908	0.031326488	0.15528363	0.9504486	0.4742805	0.66491216	0.35196492	0.35452762	-0.95565367	0.07105952	0.2122114	-0.056031305	0.59118116	0.12831289	-0.16698784	0.18504061	0.05360284	0.29642284	0.99592584	0.66350853	0.054174535	0.17171553	0.09502337	0.25135127	-0.7035993	0.27895737	0.046589807	0.31501174	0.08482417	0.9999858	-0.006555765	0.30848113	-0.32769546	-0.07961665	-0.43003818	-0.467348	-0.06292795	0.7542145	-0.47117668	-0.09659769	-0.9962356	0.2189958	0.9942505	0.2421117	-0.32687744	0.02184811	0.4033299	-0.31279564	0.9511336	0.48801807	-0.36402246	-0.83976203	0.8637661	0.6111948	-0.2764144	0.101770625	0.15946107	0.9921609	0.000679389	-0.4742294	-0.97585005	-0.4400137	0.49616385	0.51429546	0.45676965	0.0105981	-0.3988916	-0.42322913	-0.3948464	-0.2497721	0.2525579	-0.05899295	0.21640348	-0.12953615	-0.0706684	-0.98597836	-0.567374	0.6406962	-0.5884277	-0.5083662	0.024986096	0.6844812	0.65049374	0.79949313	-0.9043984	0.059262026	0.1971898	0.4265487	-0.47977507	0.5436155	-0.6495662	0.38667938	0.2861649	0.521874	-0.20596325	0.106786504	0.38732782	-0.39583078	0.72060305	0.56887406	-0.020903807	-0.48331556	-0.017382195	0.35435477	0.32884476	-0.14690354	-0.1031878	-0.85142875	-0.18365245	-0.99497175	0.04632659	0.27670625	0.022103876	-0.6313318	0.36563393	-0.19718683	-0.02523914	0.013823059	0.19200538	0.049591552	-0.026492923	-0.1039451	-0.5681386	-0.17446062	0.9991514	0.45929536	0.2824582	0.2743536	0.033700794	-0.3858101	0.16668911	-0.3791078	0.46803966	0.36095974	0.001859834	0.18865411	-0.12940179	-0.5881414	0.25440466	0.26164544	0.90363306	-0.2014918	0.07845501	-0.11355309	-0.3298051	-0.07982273	0.37067285	-0.00828075	-0.094987035	0.07461839	-0.078717105	-0.9979733	-0.1373339	0.7603638	0.20063248	0.24576394	-0.4063633	-0.3205805	0.72984135	-0.37925825	-0.5752989	0.4536721	-0.7631635	-0.67669356	0.64999276	0.60299826	0.6690942	-0.5202787	-0.65061295	-0.38939655	-0.4011788	-0.12887219	-0.35115463	0.006719912	-0.10661279	-0.4200386	0.43629214	-0.2556129	-0.10720983	0.5896479	0.030506097	0.99932975	-0.59848756	0.7819657	0.123008914	0.047078285	0.24076813	0.49995804	0.8376965	0.5221032	0.04923101	0.99822617	-0.3002851	-0.14876094	-0.32923386	0.78273153	0.99707615	-0.9988138	-0.18287982	0.3015754	0.02799064	-0.4950951	-0.10937324	0.50522393	-0.25969163	-0.95603913	0.87884444	0.5106582	0.3414617	0.21543092	0.1589164	0.28466216	-0.12595934	-0.11001515	0.94618887	0.055936962	0.24618068	-0.32262617	-0.9342322	-0.48178223	-0.016442131	0.13545796	0.40557247	-0.8638275	-0.42782858	-0.5733843	0.32253623	-0.96953285	0.54195607	0.4424547	0.3239517	-0.13233157	0.23046027	-0.47011814	-0.25641793	0.95333344	0.26410407	-0.01616299	0.7673533	0.020043252	-0.17354313	0.4420886	0.2992958	0.77484196	-0.013157532	-0.08136843	-0.63548595	-0.19011417	0.105749816	0.7939888	-0.9961554	0.09501376	-0.52868783	-0.3489083	-0.13004978	0.36504918	0.40633544	0.9995574	-0.31029433	-0.1316252	-0.18904941	0.18439563	0.41818202	-0.09693414	-0.80829966	0.23736791	-0.7052511	-0.85455287	-0.4345265	-0.02561902	0.0118354	-0.1657287	-0.8336223	0.8675536	0.20211251	1	-0.17843163	0.019751422	-0.029900517	-0.13172184	-0.48127544	-0.34507284	0.82974577	-0.22003953	0.22780228	-0.66198134	0.4553437	0.15218002	-0.14820406	0.30945116	-0.34320423	0.001437101	-0.4353654	-0.3975989	-0.2185373	-0.85113406	0.32016915	-0.72518176	-0.76639116	-0.41588843	-0.94726557	-0.21930854	-0.74121517	-0.07946713	-0.054757953	-0.45835236	-0.521021	-0.7227711	-0.07300842	0.51526606	0.5234392	-0.359492	-0.23603004	-0.49257118	0.33694282	-0.69100654	0.9998662	0.5377559	-0.96831137	0.06746187	0.99917	-0.6924115	-0.2673235	-0.99835205	-0.06885373	-0.4536423	-0.5305348	0.122702904	-0.046021048	0.67858416	0.34004587	-0.9057709	0.10818745	-0.34793803	-0.42872885	-0.168599	-0.16720082	-0.21410969	-0.9998862	-0.99858934	-0.90616703	0.46108037	-0.14855607	0.2180552	-0.21173367	-0.5893955	0.8673467	-0.085287884	0.014728433	-0.2520356	-0.59101367	-0.5741282	-0.4300346	0.02839639	0.22034046	-0.030707743	0.4272127	-0.88517976	-0.99974465	-0.59404135	-0.7734859	0.35905504	0.49270484	0.001372858	-0.99814206	-0.25267234	-0.70366913	-0.50595796	-0.42110664	0.15494622	0.48793435	0.9072378	-0.40822133	-0.71912134	0.68689203	0.6547638	0.40587085	-0.83193606	0.09647282	-0.46755618	-0.14738609	-0.44166285	-0.61512893	0.5100439	0.17786282	0.049431447	0.10879923	-0.5659117	0.09979779	-0.56837505	-0.41623756	0.044410218	-0.029553758	0.3307037	0.2951956	-0.53708225	0.03258834	-0.24820648	0.2608321	0.99996847	0.88012576	0.3903068	0.14505029	0.5873612	-0.27587572	0.26117	-0.7366042	-0.05541244	0.59977394	-0.37225413	0.5702319	-0.39307326
120	1	CC(C)CCCCCCc1ccc(O)cc1	-0.7217812	0.15358885	0.44159213	0.35954985	0.29463828	-0.046230137	-0.46296075	0.30452314	-0.18554284	-0.34019375	-0.89861065	-0.30225733	-0.020445762	-0.76551574	0.23139055	0.5029944	0.49718243	-0.44155154	0.36212352	-0.40466946	0.05619529	-0.78612304	-0.21265055	0.5398188	-0.10611274	0.405347	0.5831449	-0.34261793	0.6486194	0.042470124	-0.027392844	0.5526207	0.4687376	-0.13181148	-0.07148571	-0.020896614	-0.30059	0.6220759	0.80608815	-0.900737	-0.98064494	0.083484285	0.2681868	-0.030626254	0.014155721	-0.97996485	0.33638027	-0.43668106	0.82870406	-0.55570656	0.7610302	-0.16816135	0.022959743	0.3193048	-0.87251776	-0.31532657	0.87130934	0.94960046	0.07459555	0.21605402	-0.338167	-0.3355096	0.067198895	0.34040138	-0.098197386	-0.44463482	0.27041322	0.18580885	0.006145407	-0.13882867	0.68917614	-0.3375333	-0.29750025	0.33192688	0.90059316	0.37311974	0.028330712	-0.39879942	-0.09037303	-0.99917674	-0.719738	-0.3148326	-0.8576211	-0.37676686	0.3180052	-0.92628276	-0.29461792	-0.06619783	-0.47549117	-0.6440694	-0.28075147	-0.21614438	0.44495916	0.19314401	0.33347607	-0.08935458	0.9279272	0.15451446	0.47790182	-0.21668829	0.35176843	-0.21897537	0.52485645	0.95317096	0.2556713	0.60888666	0.37755156	0.2856821	-0.962967	0.2288586	0.15505286	-0.15887666	0.7189315	-0.047172386	0.21843365	0.5260114	0.20163189	0.5364838	0.9959326	0.6394829	-0.2449371	-0.23375216	-0.012475904	0.040030878	-0.6574305	0.21819928	-0.004203335	0.13688529	-0.07641257	0.9999794	-0.4371596	-0.10617717	-0.20021524	0.18506975	-0.47073427	-0.6742049	0.16417554	0.8007135	-0.53782517	0.20541854	-0.99751514	0.58718044	0.993685	0.30006203	-0.22786075	0.2230974	0.04868635	-0.44400528	0.9331901	0.36612448	-0.10389948	-0.6638369	0.81824076	0.60023546	-0.01336736	-0.39231598	0.30239743	0.98876464	-0.10415464	-0.25177634	-0.9733151	0.021890989	0.20830005	0.21855372	0.031013185	-0.25457126	0.20386656	-0.008211524	-0.26808134	-0.4400241	0.23462641	-0.041737996	-0.011429426	-0.14292274	-0.21312657	-0.988591	-0.37870142	0.57950705	-0.4328169	-0.4676138	-0.25458384	0.654714	0.72514796	0.7933963	-0.8203058	0.23678125	-0.05985495	0.5927184	-0.32698444	0.2945554	-0.5337544	-0.11549092	0.102110796	0.74438304	-0.39720497	0.06113951	0.32636347	-0.33254033	0.72222793	0.0425069	-0.12568854	-0.36889118	-0.48112196	0.31312817	0.43658957	-0.03891257	-0.054787595	-0.7883447	0.21803866	-0.9959874	-0.03270818	0.5613511	-0.1154139	-0.6004923	0.3793859	-0.07969112	-0.022345118	0.39487967	0.05913603	0.00698774	0.02072823	-0.12058476	-0.58765084	-0.5580671	0.998724	0.19247212	0.03878169	-0.054677054	-0.3138913	-0.13275674	-0.20447971	-0.38642296	0.6432965	0.5181725	0.31115842	0.28984475	0.23774517	-0.36133882	0.23953342	0.043136735	0.8967222	0.14904533	0.08056421	-0.5000621	-0.41273496	0.3845116	0.5992693	-0.045325972	0.03344104	-0.30447742	-0.23316851	-0.9978973	-0.20567302	0.7769292	0.21017347	0.2518887	-0.27485794	-0.33283442	0.72536963	-0.5445416	-0.41883504	0.05202569	-0.7612335	-0.7539849	0.5057952	0.51178384	0.6821291	-0.30060765	-0.8016897	-0.44162512	-0.25180408	0.5770539	-0.3059692	0.18158826	-0.029001871	-0.35112676	-0.47605166	-0.44686893	-0.026798662	-0.0383849	-0.036146246	0.9992674	-0.24425113	0.72796446	0.028251834	0.041720044	0.38052148	0.57384235	0.8174379	0.45467854	0.21750839	0.9979105	0.29633203	-0.29143918	-0.3324025	0.67950714	0.99704504	-0.99844396	0.2238828	0.31084704	-0.10837744	-0.6294773	-0.15632541	-0.034809552	-0.11549484	-0.92682475	0.8319738	0.33575568	0.46126896	0.3844595	0.15953952	0.15831949	-0.23556869	-0.32885516	0.94059455	-0.08908733	0.29462773	-0.025940878	-0.8753841	-0.30413532	-0.32223076	-0.14314754	0.3155448	-0.7949127	-0.39705446	-0.097597376	0.41295734	-0.96652657	0.5366565	0.36966214	0.20045985	0.016378367	0.26363134	-0.35989857	-0.3743762	0.9348344	0.012515319	0.36946118	0.38228253	0.17684418	-0.3946032	0.2723903	0.45263553	0.6949465	-0.06273303	-0.08171701	-0.31153986	-0.55902046	0.22016849	0.7325518	-0.99526393	0.2927324	-0.539704	-0.28436065	-0.12532835	0.16440997	0.6306779	0.9990912	-0.3063957	-0.36114463	-0.25543556	-0.013113285	-0.021559915	0.14653566	-0.82473314	0.47897896	-0.5187174	-0.7940534	-0.3268067	0.43581656	0.36252737	0.15023234	-0.8251599	0.89066386	0.10760569	1	-0.10839329	-0.011575832	-0.23557323	-0.4577704	-0.5114196	0.005434602	0.75987434	-0.64478284	0.031280905	-0.59133136	0.6555836	0.14268199	0.036343716	0.19528559	-0.25787884	-0.028682746	-0.32863405	-0.002111687	0.016900064	-0.85365283	-0.022784369	-0.4847199	-0.77054065	-0.26988026	-0.9500438	-0.5901325	-0.660694	-0.08604827	-0.06768016	-0.2554614	-0.48964003	-0.77001053	-0.45960376	0.412568	0.6437951	-0.34477422	-0.30958825	-0.17916375	-0.3796226	-0.7578695	0.9995662	0.53428787	-0.96509916	-0.34428942	0.9993877	-0.636832	0.27020288	-0.99736786	0.18729736	-0.35016754	-0.7791999	-0.35689718	-0.6961015	0.20342422	0.25650364	-0.887922	0.18505615	0.024894603	-0.35560116	-0.03713152	0.027787328	-0.40876573	-0.99986446	-0.99869835	-0.8877224	0.12172499	-0.09251496	0.40350887	-0.34031275	-0.65764964	0.87664026	0.060336474	-0.17611906	-0.18379158	-0.39018264	-0.49929965	-0.27815926	-0.14642486	-0.21010025	-0.010120966	0.3769043	-0.8402543	-0.99975795	-0.50364745	-0.69071114	0.17607987	0.4697628	-0.37977174	-0.99789494	-0.24078688	-0.5044535	-0.48189384	-0.36733055	0.12585415	0.62497956	0.9114235	-0.003296542	-0.39124903	0.78882444	0.334894	0.2897967	-0.81443447	0.2710537	-0.15126532	0.17467736	-0.57294714	-0.34187058	0.41282168	0.48505878	-0.025922036	0.26510814	-0.6152532	0.15187447	-0.5247265	-0.45288154	0.24765922	-0.11955242	0.45298102	0.5442413	-0.16588488	0.20007297	-0.23668002	0.21066889	0.99995387	0.727205	0.15314433	0.3949851	0.5950778	-0.21337748	-0.075839944	-0.8012907	0.36418977	0.3963895	-0.45393613	0.57472897	-0.6945504
121	0	CCCCCCCCc1ccc(O)cc1	-0.68334717	0.10565174	0.13234812	0.44366437	0.3751065	0.000291578	-0.48261443	0.047051933	0.26890597	-0.21703388	-0.8169378	-0.29356197	-0.026197726	-0.884938	0.5496591	0.63150173	0.64983886	-0.3808202	0.3203229	-0.25448567	0.17489482	-0.8542323	0.22861698	0.49684832	-0.10063854	0.23384343	0.18181023	-0.36805645	0.6525944	-0.3632382	-0.09207362	0.5908947	0.60054815	-0.11102533	-0.010436776	-0.38090643	0.16240977	0.71951675	0.53943133	-0.94604576	-0.9884433	0.09564423	-0.075808465	-0.13420603	0.17215766	-0.988361	0.145613	-0.32639635	0.957718	-0.13191716	0.7354076	0.07054636	0.008195441	-0.001045941	-0.92006075	0.07497677	0.7739542	0.9691868	0.48016825	-0.26695222	-0.2988334	-0.288578	0.003664376	0.028354587	0.12775977	0.16435371	-0.47313464	0.43198085	0.48043656	-0.09733926	0.7810174	-0.53691	-0.13133383	0.22018278	0.88937473	0.48588794	0.05365009	0.12732641	-0.13669886	-0.9983702	-0.75447357	0.07498768	-0.8877753	-0.21901134	0.18050662	-0.85879743	-0.44390434	0.009370592	-0.071609266	-0.7799705	-0.45397827	-0.05234893	0.2349363	-0.16297422	0.30855423	-0.2981409	0.8208612	0.15525927	0.27301648	-0.25383204	0.04670035	0.018535065	0.32176617	0.8929015	0.7098382	0.62959886	0.39475626	0.36322325	-0.94383496	0.34652507	0.10177786	-0.112170726	0.630622	0.11903693	-0.23779702	0.3907201	0.10639877	0.30932415	0.99688476	0.57921255	0.13665496	0.10080963	-0.024764303	0.21236649	-0.6217724	0.4551143	-0.085515894	0.33624795	-0.013050611	0.9999792	0.117429525	0.41743875	-0.35442242	-0.003351399	-0.42808115	-0.46427056	-0.004453816	0.73393923	-0.43758404	-0.10733119	-0.99565995	0.04788171	0.9949904	0.2569424	-0.39032388	-0.02597429	0.51099545	-0.36659133	0.97291523	0.42251006	-0.3891491	-0.8299625	0.8088278	0.5702641	-0.2881074	0.2561464	0.3147633	0.995653	-0.08383728	-0.47541007	-0.98310626	-0.33908165	0.3221367	0.42109725	0.35382885	-0.16971532	-0.14818203	-0.34488636	-0.41842705	-0.2963317	0.047443755	-0.08137911	0.2720515	-0.07022247	0.10668722	-0.9857728	-0.55741656	0.5677914	-0.61601096	-0.40560243	-0.012024659	0.68253714	0.48394302	0.7659111	-0.908515	-0.08664795	-0.02773418	0.406829	-0.4210629	0.4286799	-0.47743726	0.37629065	0.3620998	0.6144593	-0.039187357	0.054665674	0.3742602	-0.35992754	0.7454413	0.4632637	0.024695553	-0.4419844	-0.11617007	0.330829	0.32124355	-0.3317566	-0.022801748	-0.8075343	-0.25783074	-0.98931116	-0.18615729	0.2588133	0.059925046	-0.57366836	0.42455038	-0.102683075	-0.08882155	0.23947057	0.1756044	0.031871565	-0.16866189	-0.10965539	-0.4835457	-0.16433519	0.9988599	0.5573913	0.40189534	0.36728215	-0.16486181	-0.30062002	-0.21760428	-0.24617016	0.49631017	0.20596503	0.04641529	-0.11069769	-0.19311139	-0.60916746	0.43461773	0.32286996	0.90349036	-0.3047458	-0.3128364	-0.33513606	-0.26556894	0.20581114	0.33580285	0.09345333	-0.18103553	0.06529605	-0.097247295	-0.99778515	-0.14666574	0.763662	0.097504534	0.23107794	-0.32860115	-0.16630504	0.70406353	-0.37219396	-0.6349548	0.39221513	-0.6353951	-0.6522257	0.5905644	0.5318063	0.7188824	-0.43410385	-0.7042617	-0.33890182	-0.2885821	-0.26510388	-0.31511474	-0.09629727	-0.37333193	-0.4067154	0.29895735	-0.22025979	-0.19588386	0.6391026	0.058719832	0.9993737	-0.37445122	0.77502227	0.042375784	0.11630051	0.09782937	0.4077452	0.83097637	0.509879	-0.27626044	0.99871486	-0.14555342	0.099766314	-0.16026346	0.72994137	0.99651897	-0.99788165	-0.28185844	0.32989028	0.16694523	-0.49202684	-0.09941379	0.4934335	-0.22356239	-0.94221544	0.949792	0.58053607	0.3413344	0.28490654	-0.04257585	0.041493267	-0.045767933	-0.2918699	0.94172513	0.12748328	-0.086468846	-0.13931918	-0.94235015	-0.5738563	-0.09954845	0.26298228	0.31703326	-0.84471357	-0.4646955	-0.57271683	0.39651927	-0.9702668	0.48890716	0.45516986	0.31603155	-0.22348899	0.3069952	-0.47788712	-0.17165962	0.92735976	0.14399646	0.14499195	0.7296827	-0.031721067	-0.29680628	0.48010534	0.22655232	0.75975996	-0.05342756	-0.06986094	-0.5644254	-0.16499454	0.17373173	0.85941696	-0.9964041	0.2125042	-0.588046	-0.28067264	-0.11874792	0.25625455	0.48673916	0.99943537	-0.14831913	-0.11458324	-0.11080101	0.16754866	0.28995928	-0.041223533	-0.8188993	0.23052424	-0.70337474	-0.8092206	-0.4309341	-0.05442849	0.097835675	-0.17422166	-0.7962212	0.8937003	0.39770362	1	-0.35652235	0.06486987	-0.26180506	-0.13302003	-0.59768146	-0.45327505	0.8159726	-0.5395702	0.20570675	-0.49053589	0.34571663	0.2480886	-0.04293883	0.31316802	-0.29871753	0.022460166	-0.24303934	-0.38358417	-0.176442	-0.7808048	0.5176296	-0.62585557	-0.6446239	-0.39936003	-0.9546149	-0.19325441	-0.57417125	0.1871191	0.13280801	-0.4204523	-0.497936	-0.72088337	-0.2824129	0.45851415	0.51544994	-0.3698076	-0.42922536	-0.28643918	0.28846708	-0.6529456	0.9998727	0.39075062	-0.97231376	0.022148948	0.99913216	-0.6486416	-0.5034151	-0.9982365	-0.069854975	-0.31360236	-0.43415087	0.2543763	-0.10470977	0.71638685	0.37613612	-0.86224896	0.025588643	-0.27563655	-0.5569049	0.052626256	-0.057108708	-0.19749944	-0.9998803	-0.9984644	-0.9408237	0.47660294	-0.044171877	0.16965786	-0.2603661	-0.6301996	0.8206286	-0.22028871	-0.024198692	-0.12041676	-0.6471208	-0.6223895	-0.3612284	-0.16133852	0.23048128	0.077849895	0.29615197	-0.9299899	-0.9997643	-0.52630824	-0.67842203	0.27049047	0.50301605	-0.18687825	-0.9979622	-0.18053712	-0.6894883	-0.5133092	-0.4574675	0.04732331	0.38257954	0.89828056	-0.41868943	-0.48526892	0.6285325	0.6644082	0.38133764	-0.86582524	0.0856783	-0.5355462	-0.41628802	-0.35794264	-0.5625571	0.6429301	0.21486233	-0.24229148	0.03494456	-0.5670007	0.25328425	-0.43911603	-0.45252576	-0.10541921	-0.06271225	-0.087875426	0.19640467	-0.5359532	0.11643077	-0.17409404	0.35761797	0.999948	0.7980417	0.51795655	0.45091075	0.68317336	-0.17121306	0.020733012	-0.49486217	-0.077953435	0.55126107	-0.35816973	0.5649781	-0.33380163
122	0	CCCCCc1ccc(N)cc1	-0.7573825	0.032877263	0.60652125	0.34140608	0.39844182	-0.25876525	-0.36446795	0.13510478	0.073104374	-0.33686486	-0.83013886	-0.5917061	0.17573231	-0.7997335	0.46339	0.30203727	0.4749227	-0.122403055	-0.001192791	-0.43421146	0.5383165	-0.90074307	0.57487214	0.33429193	0.31417343	0.084661216	0.17409308	0.22146961	0.067547195	-0.50708693	0.29867446	0.42974544	0.6197071	-0.011133218	-0.07055853	-0.2570073	-0.3968002	0.54578406	-0.3259802	-0.9536786	-0.98726887	-0.2906829	-0.42648223	-0.28860104	0.36927247	-0.99535215	0.049941238	-0.1292388	0.93051755	-0.18341725	0.61486137	0.07624562	0.29401135	-0.043478586	-0.9491543	-0.22272955	0.5662661	0.9782408	0.6731619	-0.09523186	0.15102647	-0.5898309	-0.008633786	-0.42013025	0.63293886	0.45167035	-0.47160706	0.27268335	0.44584182	-0.41623792	0.6917544	-0.94064593	0.14551644	0.22243312	0.7084995	0.41987666	0.046398766	0.097755656	-0.03242319	-0.99482775	-0.7886061	0.3426026	-0.8821137	-0.1923551	0.32651404	-0.46236062	-0.16978402	-0.095537975	0.2827765	-0.73158103	-0.3476601	0.34372932	0.1993028	-0.1517876	0.35917196	-0.55095315	0.57304305	0.08167287	0.14300972	0.043249805	-0.017549954	-0.08158302	-0.059064824	0.2197991	0.95662105	0.5539277	0.049556863	0.22943056	-0.8900863	0.11410429	0.41869694	-0.18870778	0.49392554	0.124788605	-0.5399866	-0.01994384	0.088143855	0.1334018	0.9983809	0.2352241	0.31454644	-0.3825895	0.2626812	-0.12870838	-0.22528449	0.4181931	-0.118866935	-0.19189966	0.06121243	0.999902	-0.049467698	0.45210847	-0.2848074	-0.107189335	-0.3415989	-0.2287702	0.24345244	0.71962285	-0.6115899	-0.18250799	-0.99527967	0.20865816	0.99438673	0.039360125	-0.003565974	0.5390244	0.26939428	-0.74936324	0.9943104	0.5872451	-0.5976489	-0.6488598	0.47253007	0.22561167	0.21475482	0.47337428	-0.25066465	0.9989555	0.015122861	-0.4986981	-0.9907055	0.06656265	0.057462893	0.35236767	0.32448056	0.03056177	0.35869193	-0.017406039	-0.28739443	-0.1543102	-0.3482678	-0.20009927	0.5180912	-0.32103097	0.2735341	-0.97693485	-0.52701896	0.13190465	-0.59785014	-0.17514825	0.22424008	0.30929565	0.5721968	0.61393857	-0.92460483	-0.34266105	0.34523684	0.16562451	-0.02747942	0.0679882	0.38362068	-0.03421689	0.26180425	0.28321812	0.2072055	0.42375687	0.33629137	-0.3037488	0.38057488	0.44936135	-0.015155116	-0.5100665	-0.22529243	0.4564565	0.3214932	-0.38324994	-0.4544862	-0.75202787	0.06933881	-0.85842097	-0.19180842	-0.13418362	0.27473766	-0.72031057	0.1704931	0.3076249	0.015994119	-0.03862732	0.20339534	0.07147651	0.38212645	0.040146224	-0.4534247	-0.09141853	0.9950147	0.73107135	0.1351157	-0.12630649	-0.19046247	-0.5941801	0.5248775	-0.20357706	0.4292742	-0.024385327	-0.025483178	0.016391443	-0.30462545	-0.033003215	0.3587355	0.105416365	0.9052063	-0.027931139	0.08132617	-0.12803553	0.20156144	-0.03131996	-0.070067875	0.005385507	-0.4633132	0.15666755	0.06451835	-0.9977518	0.29477936	0.5063933	-0.40005988	0.46738887	-0.3259802	-0.2562038	0.654805	-0.30685872	-0.4342123	0.53492653	-0.71762866	-0.58221835	0.7001833	0.37763694	0.58495575	-0.31333303	-0.9710507	-0.06833448	-0.3164552	-0.48516327	-0.103154495	0.37440982	-0.20445168	-0.09134026	0.12426137	-0.1143294	-0.2552414	0.777423	-0.1784977	0.99932253	0.44969836	0.62927896	0.13337117	0.44647586	-0.21557255	0.06690962	0.8096199	0.26094204	0.05973877	0.9992284	-0.52858716	0.6200692	0.016021533	0.5724946	0.99721026	-0.98737794	0.38021526	0.097910576	-0.4163698	-0.098527476	-0.104821764	0.22117172	0.12226058	-0.76587665	0.99595547	0.34275514	0.13214347	-0.04360069	-0.006488276	0.22152449	0.24383572	-0.3105632	0.92345685	-0.2555705	0.02105633	-0.10772656	-0.97445947	-0.47764596	-0.1830799	0.13560537	-0.08763676	-0.6618451	-0.5911427	-0.47232544	0.6345796	-0.93290335	0.5046984	0.16385132	0.3506004	-0.09052128	0.5387051	-0.29522353	-0.07296203	0.60669845	0.12781025	0.1524531	0.525852	-0.4330933	-0.13733435	0.09128342	-0.083288014	0.61804175	0.49661523	0.4485132	-0.3251716	0.22152083	0.053267863	0.93819594	-0.9971199	-0.16127327	-0.51603705	-0.1726776	-0.08566302	0.3794923	0.37123457	0.9969317	0.066917546	-0.1852232	-0.3036482	0.4783525	0.59642845	-0.22680299	-0.754238	0.115208395	-0.5621896	-0.76628464	-0.48077357	0.35171944	0.06400974	-0.43086106	-0.493982	0.93289256	0.6815724	1	-0.32283	0.012377159	-0.16899298	0.31946057	-0.6955446	-0.41356233	0.49306822	-0.4676006	0.3263295	-0.48448884	-0.2321025	-0.045601707	-0.07822881	0.3982565	-0.036689095	-0.001699677	0.09135463	-0.43793386	-0.16109942	-0.38053614	0.21955808	-0.34886637	0.18463114	-0.19835827	-0.9633137	-0.04989526	-0.15978181	0.57485527	-0.21067877	-0.6184153	-0.5519245	-0.63619673	0.005393014	0.3764314	0.8082127	0.39904076	-0.32716346	-0.17129143	0.15330458	-0.2470059	0.9999547	0.042742163	-0.97222626	0.043883007	0.99901384	-0.2828504	-0.6631458	-0.9983917	0.057057254	0.10854423	0.027383069	0.21876392	0.06419292	0.45199695	-0.1173357	-0.3478957	0.05290609	-0.040348005	-0.35947618	-0.13526689	0.09371538	-0.051209938	-0.999856	-0.9994165	-0.98794854	0.1119368	-0.047796305	-0.2960538	-0.33428645	-0.5156569	0.2123825	0.11484553	0.033684026	-0.2761957	-0.7453641	-0.34021565	0.098026246	-0.4969506	0.51504815	0.02714705	-0.13884896	-0.9798206	-0.9998243	-0.54299086	-0.75951105	0.17302288	-0.11339941	-0.05303555	-0.9935482	-0.1458796	-0.088212736	-0.28012106	-0.27237839	0.3217824	0.11064396	0.9431675	-0.2735173	0.47289336	0.41468573	0.50512135	0.36900613	-0.8560306	0.20178777	-0.2326331	-0.28059277	0.21174711	-0.009999551	0.47506082	0.047872424	-0.13921095	-0.4198582	-0.7207803	0.5515491	0.24610476	-0.25640824	0.046001084	0.50301903	-0.8829575	-0.014755068	-0.5244588	-0.06266621	-0.555512	0.064639255	0.99981403	0.5847731	0.46581522	-0.12645258	0.67131734	-0.14817499	0.0690117	0.5251161	-0.24406669	-0.1263858	-0.1586504	0.5524308	0.27099517
123	0	CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O	0.6558923	-0.11403653	0.5208564	-0.7083123	0.23404635	-0.89344573	-0.714648	0.25691047	-0.17540222	-0.0957	0.15040684	0.2315168	-0.2334855	0.9109315	0.5003419	-0.75675493	-0.0354553	-0.21200019	0.008747694	0.08709474	0.4743677	0.19651236	0.63057494	0.18733051	-0.015671026	0.2758195	0.3381393	0.53837067	-0.003990379	-0.40974927	-0.36565626	0.43513057	-0.30051428	0.27262443	0.25353575	0.077550486	-0.18535174	0.6358342	0.996924	0.23182364	-0.9792461	-0.22841683	-0.36709252	0.6080709	0.026922874	-0.7434091	0.17752257	0.7215123	0.18098415	-0.0503859	0.43598205	0.52907765	-0.52662367	-0.5253982	-0.09345388	0.16149756	-0.7751016	-0.6605355	-0.17780483	0.42368835	-0.092556044	-0.19299424	0.58784324	-0.20738342	0.3455649	0.78963774	0.62804526	0.03950724	-0.21804824	-0.4987735	-0.9179308	-0.98983085	-0.35090026	-0.07236925	-0.34158418	0.31662405	0.65839607	0.30516854	0.30580232	-0.99962646	-0.48480663	-0.24307612	-0.8438966	-0.25047466	-0.2927057	-0.09622284	0.19690566	0.413906	-0.5108443	-0.12884754	-0.3988477	-0.40348393	0.41526103	-0.2286417	0.9993854	-0.67422664	-0.50356203	-0.3531675	0.07198456	0.42316228	-0.14176479	-0.36440194	0.7112834	0.5139634	-0.9782953	-0.6162336	-0.12756278	0.10711916	-0.93763757	-0.16858616	-0.12481185	0.028612792	0.057972047	-0.4424809	0.049568303	-0.03017301	0.2640687	-0.581721	0.99733996	-0.7212219	0.8074359	0.071842164	-0.117075495	-0.77061284	-0.57416964	-0.35733053	-0.5204358	-0.5768347	0.12588151	0.9939443	-0.121422455	-0.010079652	0.31311354	0.15016164	0.34317526	-0.98079485	0.20917763	0.7592574	-0.70055246	-0.77863735	-0.9999969	0.65704936	0.20455612	0.14915723	-0.31697875	0.011632966	0.16544321	-0.4057879	-0.47519585	-0.30545154	-0.6824373	0.5250946	-0.5658999	0.1456048	-0.86063766	-0.26595744	-0.48637772	0.3997183	-0.85053676	0.76628435	-0.89404887	-0.2851241	-0.013628785	-0.17918423	0.15519838	0.30190566	0.2235076	0.3468212	-0.37576884	0.33685023	-0.5044788	-0.22356683	0.24143504	0.059924643	0.37709567	-0.9315626	-0.6624455	0.18187068	0.38043654	0.38855755	0.10169496	-0.9989649	-0.6048023	-0.5397523	0.3108781	-0.036556747	0.28024593	0.6966201	-0.15235429	-0.738091	-0.2002626	0.30888125	0.2925393	-0.44303298	0.34128663	-0.22626902	0.3384394	0.22833568	0.21549805	-0.29467255	-0.38316396	-0.070875674	0.34830946	-0.50237596	-0.67419565	-0.5938883	0.493152	0.81683344	0.21552038	-0.9995098	-0.664301	-0.12008525	0.065271474	-0.83918446	0.20972937	0.6683805	0.4167744	-0.12065462	-0.8107863	-0.099422574	-0.35600957	-0.31141454	-0.102494225	-0.27496523	-0.9504591	0.41977426	-0.31017846	0.53226095	0.20657691	-0.6325123	-0.45984003	0.0681785	0.45367903	0.35764134	-0.4910594	-0.35364223	0.2896302	0.07904295	0.27415255	0.19187216	0.2577711	0.65007824	0.19719496	-0.6926076	0.0696913	-0.1413658	-0.5555217	-0.16396262	0.68157214	-0.47026542	0.28711578	-0.9740271	-0.24864815	-0.13831435	0.4882431	-0.35790738	-0.28403792	-0.016862703	-0.08458784	-0.46342802	-0.7308001	0.37308565	-0.10622396	-0.34553444	0.5768823	0.23292668	0.08763204	0.77399933	0.3774164	0.006924712	-0.5098338	0.8978959	0.6343785	-0.047873277	-0.891406	0.68290037	0.06517166	-0.3698014	-0.82446706	-0.7221124	0.28672165	0.9976413	-0.3274749	-0.41934285	0.13021174	-0.033238176	-0.69296175	0.25846353	-0.5760409	-0.27998525	-0.3238544	0.95869315	0.011582194	0.7610005	-0.31934887	-0.39323834	0.9999992	-0.7939626	-0.5729658	0.14700472	-0.3566515	0.04303567	-0.23353721	-0.018934056	-0.664514	0.6924301	-0.80852306	0.012630528	0.17569925	0.25233817	0.5228929	-0.040761054	0.10907209	0.036618285	-0.92519516	0.27893862	0.6651873	0.38616493	-0.9751057	0.15628879	-0.25890568	-0.053302445	0.68506664	-0.690193	0.37901664	0.2066903	-0.8459302	-0.8687406	-0.58968765	-0.29804406	0.09644856	-0.5852059	-0.3980124	0.057546254	-0.3435195	-0.63508207	-0.57086647	0.6102418	-0.4182738	0.52198625	-0.5548132	0.531437	-0.69563395	0.367594	-0.07341237	-0.05318461	-0.15710296	-0.36490002	0.2690298	-0.7463827	-0.9059537	-0.3477259	0.011105895	-0.3559779	-0.032230835	-0.28447175	0.34369725	0.99978405	-0.3766383	0.098954156	0.33296642	0.46828258	0.6206234	0.4856657	-0.5610992	0.45483562	0.124057226	0.19552837	-0.67267805	-0.09122006	0.04932655	-0.57204586	0.5335424	-0.12559655	-0.21505326	0.99777377	-0.456071	-0.4936173	-0.32932213	0.15745088	-0.5305944	-0.58585346	-0.4845951	0.050078593	-0.08752937	-0.11365671	-0.17787673	0.5067323	-0.33233482	0.27862722	-0.28103718	-0.6556602	0.23938476	0.5363152	0.1512363	-0.39332545	0.33091968	0.039654914	0.7353226	0.23331673	0.94042754	0.4387047	0.26622146	-0.50713503	0.4028754	-0.2430104	-0.3692481	0.9779566	0.13345142	-0.43566626	0.59568197	-0.03424182	-0.026104601	0.726041	0.20313764	0.30213657	0.99995154	-0.09863128	-0.9764766	0.5559019	0.9998994	-0.34328204	-0.41156545	-0.9981386	-0.74296635	-0.15946017	0.8266756	-0.01144374	-0.7115956	-0.14975712	-0.4763095	0.41060326	0.15232407	-0.37371	0.000334484	0.038878538	-0.5146411	-0.08542565	-0.99998975	0.99523133	-0.762452	0.17672662	-0.23199368	-0.086206675	-0.64807546	0.32972068	-0.93085957	-0.77129245	-0.7217852	0.10753693	-0.8456456	0.099380925	0.08465531	-0.15616901	0.68274194	-0.5010213	0.54235697	0.27583745	-0.9999442	0.31077385	0.41016054	0.006394941	-0.19383928	-0.7771178	0.38061577	0.08511092	0.48834062	-0.353675	-0.60148543	0.47711882	0.57533705	0.8908608	0.1346168	0.9006031	-0.27410692	-0.5569882	-0.31659874	0.5397082	0.12380443	-0.2934462	-0.70563823	0.18081892	-0.14110023	0.025704887	-0.3240787	0.5080693	-0.6784766	-0.30230072	0.05329143	0.05360769	-0.6790876	-0.1465469	0.04418629	0.9706249	0.31593785	0.030745393	-0.8266874	0.11727173	0.04934598	0.9996506	0.052955642	0.51939434	-0.18177864	-0.23721528	-0.57689387	0.15044266	-0.9868839	0.078913815	-0.19978748	0.16903737	0.68752253	-0.31906563
124	0	CC1(C)NC(=O)NC1=O	0.59129524	-0.04663524	0.16185245	0.2413506	-0.04919037	-0.63786316	-0.3917156	-0.37514248	0.17707084	0.29077458	-0.30774882	-0.44535992	0.224271	0.61385566	0.05568787	-0.03215265	-0.4656345	-0.4201543	0.25410163	-0.20672584	0.34983626	-0.8541441	-0.25109905	-0.009237316	0.042653	-0.107265055	0.18542561	0.4126311	0.28696755	0.16216321	-0.15742198	0.7284204	0.20743173	-0.06373859	0.13197997	-0.24480793	0.33186305	0.219436	-0.67328984	-0.5884142	-0.9962557	-0.19837886	-0.35623473	0.33430487	0.70143116	-0.997692	-0.20296164	0.03830379	0.91897786	-0.3805277	-0.020739686	0.48374292	-0.37111613	-0.13551226	-0.7901248	0.57842654	-0.48859188	0.9641391	0.30689973	0.27782017	0.17012708	-0.2745193	0.37523362	0.19701967	0.32397407	0.38749033	0.5696817	0.11076312	0.06005601	-0.1311519	0.09085123	-0.9998675	-0.01703933	0.8165077	-0.6259953	0.7043416	0.4102532	0.17956829	0.3359244	-0.9999561	-0.9743325	0.5149219	-0.13949084	-0.13984074	0.53855175	0.97995025	0.79214585	-0.036181264	0.33708754	-0.060199395	-0.2554838	-0.045951955	-0.11706446	-0.6020109	0.9822141	-0.5082848	-0.91817886	-0.44744593	0.57395345	-0.3441536	-0.5607073	0.09554367	0.581708	-0.6424375	0.96875787	-0.1450809	0.5955519	0.5296051	-0.9994469	0.043847177	-0.21463315	0.3999327	0.5692547	-0.4345482	-0.22467831	0.29221898	-0.3581995	0.024622608	0.99953854	0.06281231	0.3760592	-0.35110343	-0.22896676	-0.33090538	-0.047380887	-0.24976926	-0.5907541	-0.017452579	0.14722818	0.8562872	-0.0931742	-0.24769351	0.07545418	-0.11247848	-0.09268525	-0.83986795	-0.26122454	0.52662444	-0.56419176	0.22943544	-0.99028945	0.30890083	0.92309475	0.13835531	-0.6528502	-0.17758554	0.15093921	0.1716595	0.9966997	-0.09798622	-0.57720447	0.5641268	-0.06976263	0.36266568	-0.62091994	-0.4821584	-0.253799	0.99938077	-0.24452746	0.908375	-0.9953645	0.07742541	0.09322912	0.24646161	0.36978918	-0.26378664	0.6716599	0.111110054	-0.47885323	0.011838497	-0.83373934	-0.1149732	0.30167735	-0.23359354	0.16493334	-0.9387815	-0.45231092	-0.11563009	0.023039514	-0.3178949	0.24309506	-0.97091687	0.06594428	-0.6560864	-0.7935595	-0.08875027	0.16940692	0.27658492	0.0583481	0.10474815	0.6965882	0.1609832	-0.16945335	0.23131403	0.70003015	-0.73657066	-0.090211466	-0.73471737	-0.29976043	-0.73908126	-0.2476844	0.22486155	0.15044674	-0.6772143	-0.19199298	-0.2112792	0.39070675	0.8765154	0.21281835	-0.8230747	-0.56475383	-0.07685237	0.13513923	-0.69047904	0.55335426	0.2944301	-0.2141107	0.054511465	-0.8128904	0.24251501	-0.5126457	-0.25218743	0.5745546	0.09226889	-0.89204866	0.07841406	-0.4499439	0.12959468	0.3435987	-0.58571327	-0.32253778	-0.60796225	0.4062892	-0.13073099	-0.3577373	-0.46504998	-0.0904873	0.42936987	-0.5434264	0.16880481	0.20929478	0.018592993	-0.3258552	-0.64373595	-0.4459378	-0.27839932	0.025970085	-0.11070482	0.112191044	0.30081803	0.7233337	-0.99674386	-0.085718274	-0.4171025	0.29442197	0.19538291	-0.38360113	0.061817106	0.25498766	-0.04860781	-0.7044112	0.5360604	0.12501988	-0.6207651	0.117745236	0.10406738	0.1873269	0.4510156	-0.3921715	0.43588033	-0.77214754	-0.6230666	0.13224162	-0.09851347	-0.53651017	0.6952547	0.40154415	0.6782153	0.2834763	-0.026206568	0.12928452	0.9993642	-0.36773378	-0.061979525	0.13633388	-0.26450557	-0.84195834	-0.9803938	-0.9913903	0.33294082	-0.44582707	0.9996081	0.4240249	0.6747284	0.28833234	-0.1153309	0.99948215	0.46256816	0.65515566	-0.2053714	0.2514052	-0.16078271	0.81409526	-0.12234483	-0.21229677	0.7554772	0.99920166	-0.028437244	-0.6583645	0.07061848	0.07426681	-0.401346	0.17919265	0.004871199	-0.331243	-0.31290817	0.5588219	0.021344284	0.962789	0.119502455	-0.41849566	0.101645105	0.6619551	-0.21430247	0.047753125	-0.18593624	-0.89594537	-0.6149205	-0.1119864	-0.046227656	0.25654966	0.2815852	-0.093209445	0.21826531	0.039290376	-0.9553173	-0.15525778	0.6495004	-0.5907909	-0.102630034	0.17192598	-0.56246656	-0.2716572	0.7407949	0.036712527	0.32138795	-0.5871648	-0.15437914	0.40310314	0.9387417	-0.9915166	-0.2162226	0.21985999	0.11175319	-0.26412553	-0.5060518	0.090155184	0.99267256	-0.6161504	-0.011707677	-0.3534579	0.27452138	0.32473296	0.24651529	0.2982553	0.3232459	0.54639494	0.3943052	-0.45742807	0.08392049	0.37705332	-0.60129344	0.18077089	0.90909404	-0.20284766	1	-0.16347535	-0.4930277	0.023660174	-0.33820185	-0.9470129	-0.20719916	-0.005759387	0.109052084	0.50983167	0.22305062	-0.2901967	0.2043605	-0.06889144	0.09151368	-0.050203033	-0.16640532	-0.21639214	-0.12454224	-0.38469324	-0.15497121	0.33764482	0.85476065	0.7428637	0.58140063	-0.31680894	0.23385623	0.43045098	-0.14186074	-0.22847806	-0.0596236	-0.35113472	0.24092826	0.26981097	-0.50472397	0.33095637	0.11103079	-0.009663685	0.5891097	0.19292949	0.013198497	0.83558786	0.45682043	-0.5716603	0.50966513	0.99935144	0.69851136	-0.15235813	-0.90185684	-0.41955048	0.7263306	0.62050855	0.028470134	-0.616271	-0.052384656	0.31514913	0.91150963	0.1944604	-0.44694594	-0.3073522	0.29610002	-0.23501387	0.10840619	-0.999945	-0.99685127	-0.99746865	0.16025747	-0.51801175	0.5768261	-0.24211855	0.5659799	-0.93232423	-0.16483372	0.060742684	0.04561168	0.004644979	-0.42180723	0.27650726	0.49713993	0.23123245	0.2660521	-0.1903193	-0.9958333	-0.9998992	-0.29669493	0.00141346	0.30802825	-0.16311218	-0.57901335	-0.38962182	-0.7582257	0.56120974	0.58118844	-0.10301852	0.67248106	0.18242732	0.121898346	0.3516394	0.964686	-0.05594598	-0.2002665	0.122019954	-0.55767983	0.18647993	-0.14002807	-0.503143	0.8957638	-0.64781624	0.33887446	-0.3089715	0.07399558	-0.7230913	0.11437719	0.25444114	-0.572182	0.073595785	-0.6000378	0.25167847	-0.9716251	0.30537015	-0.14054632	-0.49294558	-0.08979673	-0.29775172	0.9999768	-0.54364324	0.37736994	0.12430913	-0.07020995	0.043452	0.07503843	0.5686861	0.2478554	-0.49630037	-0.5819177	0.61707044	-0.17180586
125	0	O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1	0.22462995	-0.30167353	0.43712243	0.20767196	0.48833272	-0.76110697	-0.5996204	-0.10643189	0.61929333	0.14550397	-0.08550613	0.5145581	-0.021601269	-0.3301253	-0.25670946	0.6940037	-0.018282836	0.40204576	-0.26805797	0.25591457	-0.2801253	-0.67703307	0.15555997	-0.6619611	-0.25669333	0.2439537	0.4799211	0.730795	0.32077798	0.1645804	0.28371996	-0.18846579	-0.44154444	0.39189437	0.64672476	-0.30443552	0.04669134	-0.04044649	0.98922074	-0.58022213	-0.99127126	0.45984066	-0.074250534	0.360248	0.8074649	-0.95361125	0.21591511	-0.109568216	0.83551395	-0.11637707	-0.3435186	0.054556742	-0.04230701	-0.104310736	-0.82801247	0.76305056	-0.6534311	0.25816482	-0.45559642	0.08783967	0.00242338	-0.4803714	0.4769332	-0.4393025	0.32975248	0.11556282	0.58379245	0.54423606	-0.010472138	-0.25524643	0.042140245	-0.99285305	0.68867826	0.41441464	-0.09954203	-0.04651191	0.8288952	-0.35075343	0.7957861	-0.99781334	-0.92487746	0.000700012	-0.7442383	-0.00230004	-0.21935152	0.22204801	0.77138376	-0.071823664	-0.31336573	-0.43069	-0.33669725	-0.83244896	-0.287823	-0.1641866	0.9864637	0.024688326	-0.5278924	0.27834395	0.4696878	-0.06754816	-0.51001513	0.15635088	0.56436354	0.7717344	-0.8796364	0.029849157	0.099131435	0.11886015	-0.9996144	-0.1479331	-0.1409527	0.6130896	0.5863623	-0.08291732	-0.30971712	0.2942518	-0.26154792	0.18203767	0.9985397	-0.29948696	0.36500362	-0.45305666	0.3797436	-0.5579443	0.1782828	-0.37622693	-0.48469865	0.34614027	0.08983331	0.99830604	-0.32693446	0.115977235	0.23876214	0.10207191	0.58992964	-0.8873112	0.2531724	0.8534285	-0.7789358	-0.29404613	-0.9999994	0.023345144	0.8903269	-0.23601803	0.70764077	0.027413404	0.3797349	0.48735455	0.23781765	-0.75386816	-0.54361063	0.12896039	0.2810284	0.12757257	-0.59636474	-0.42657018	0.2785076	0.91566503	-0.19428696	0.8991826	-0.9705061	0.056142345	-0.655864	-0.4879661	0.41576546	0.38272166	-0.41546628	0.24298523	-0.78357816	0.10918563	-0.8655585	-0.25615704	0.43962908	0.39632988	0.026884343	-0.98012155	-0.62021554	0.69579697	0.22293492	-0.40913036	0.43248016	-0.92588735	-0.23696011	0.004681772	-0.2455857	-0.5004421	0.3848587	0.09228893	-0.022934869	-0.47717163	0.43841445	-0.30705962	0.2128942	0.1609903	0.6095815	-0.5676151	0.052749444	-0.72841907	0.6278627	-0.058982722	0.5057942	-0.01671451	-0.2830508	-0.15421708	0.82402754	-0.27694818	0.295813	0.71483475	-0.20212655	-0.99933535	-0.22938024	0.58449	0.4576409	-0.40746084	-0.0916027	-0.04649028	-0.64275694	0.1024074	-0.036933236	0.119637	-0.47836915	0.64460486	-0.2909333	-0.15014286	-0.9244335	-0.2934638	-0.43915898	-0.5638829	-0.1356171	0.36489528	-0.5796016	-0.17399342	0.6630141	-0.1258662	-0.18827975	-0.27075195	-0.16417557	0.22326848	-0.28211585	0.8122907	-0.001585776	-0.3232028	0.101437576	-0.2790231	0.29528737	0.18268462	-0.3540004	-0.3653234	0.3218801	-0.46985215	0.67492086	-0.775838	-0.622261	0.08371244	0.6742351	0.32651317	-0.110905275	0.6945346	-0.14016077	-0.05314573	-0.2906014	-0.4289762	0.14656608	-0.79994833	0.27130336	0.4592556	0.35032955	-0.19549434	-0.14110482	0.37693936	-0.89286274	0.61092395	-0.41799143	-0.056899406	-0.14492685	0.85334915	0.12052028	0.31209102	0.6787826	0.07117786	-0.23282887	0.99952793	-0.17516384	-0.45273373	-0.041206844	-0.3958562	-0.6088299	-0.669807	-0.9949063	-0.70188016	0.628436	0.99244934	0.05334832	0.6628092	0.080874085	0.039916683	1	-0.94003606	0.28877145	-0.44509497	-0.40697256	-0.45287046	0.2690307	0.047278944	0.07919823	0.11323901	0.27072078	-0.45823318	0.4239281	0.16466688	-0.13283841	0.5644903	0.55240804	0.5187987	-0.0259877	-0.67201096	0.3980551	-0.579479	0.9275975	0.30939826	-0.73738813	-0.15328564	0.48139727	-0.4684463	-0.104273975	-0.12680614	-0.9288902	-0.8548659	-0.3995532	-0.29404464	0.18482393	-0.17304018	-0.4044341	-0.36313337	-0.34471434	-0.39428896	-0.32577124	0.49300697	-0.52344656	0.44010735	0.46709153	0.322389	0.09741108	0.8018546	-0.106455274	-0.17644209	-0.53655845	0.3847774	-0.34275952	-0.34610608	-0.98916095	0.24653615	0.5020491	0.44082886	-0.03735656	-0.15510952	-0.28076643	0.99918395	-0.053199947	0.63382196	-0.35049742	-0.074201845	0.2578112	-0.1756376	-0.86894804	-0.3009596	0.12054002	0.19465	-0.53867793	0.5091669	0.16783598	-0.7943502	0.7074208	0.6080956	-0.29943374	-0.9847607	-0.066335954	0.22052498	0.6069822	0.46406734	-0.77957755	0.18370692	-0.6037271	0.053003795	-0.09779324	0.6194559	-0.6505371	0.5804819	0.74868387	0.1718004	0.42217994	-0.47708046	-0.024384782	0.15316933	-0.39084986	0.19978426	0.12214484	-0.24524197	0.87284017	0.05148813	0.004829302	0.75818413	0.31713107	0.31151164	-0.4175749	-0.21484293	-0.058754817	-0.5530034	0.12259407	-0.32211694	0.16196325	0.6799168	0.08219853	0.0328601	-0.20073766	-0.056283105	0.9676038	0.15195663	-0.98056763	0.5437452	0.99979055	-0.55702364	-0.14629206	-0.946434	-0.60026306	0.26608798	0.6694975	0.31292364	-0.52882296	-0.000119313	-0.123726994	0.32508194	0.03265339	-0.6785869	-0.6834117	-0.45673424	-0.23556276	-0.0233894	-0.9999967	0.9999996	-0.921222	-0.041823726	-0.4840152	0.23396537	0.11444789	-0.005231899	-0.9131157	0.33531442	-0.4611026	-0.20354202	-0.75439525	-0.71002156	0.66754913	-0.110207625	0.15873998	0.5719048	-0.46032217	-0.5801541	-0.9999734	-0.12610345	-0.44596213	-0.2945284	-0.036020685	-0.6048273	-0.8546696	-0.71396637	0.25777858	0.6820675	-0.52748525	0.34973243	0.556024	0.8137001	0.4485288	0.70954686	-0.11163449	-0.115752906	0.15184225	-0.65217274	-0.49263063	0.015840076	-0.1426958	0.12679508	-0.9050326	0.33637115	-0.20038484	-0.15866387	-0.55678433	-0.08619501	-0.07087935	-0.16341439	-0.42007694	-0.24644576	-0.38943174	0.8955828	-0.09795309	0.19711588	-0.7477433	-0.6032566	-0.19758074	0.9998979	0.4177373	-0.18143737	0.14285024	-0.5739709	0.31470045	-0.11087089	-0.957569	-0.36799958	0.43361235	-0.4288801	0.51659584	-0.5276584
126	0	CCCCCCCC1CCC(=O)O1	0.35730305	0.14819087	-0.6507372	0.086164854	-0.016399529	0.03277047	0.06406852	-0.18198487	0.59537685	0.17655298	-0.09015923	0.078886546	-0.21173193	-0.62205577	0.58779967	0.25662273	0.77176744	-0.22885385	-0.12775473	-0.5712583	0.559409	-0.7326225	-0.50938576	0.6307418	0.19664429	-0.35841998	-0.07542927	-0.12500097	-0.052600402	-0.19112076	0.044609237	0.602329	0.75547457	-0.22632158	0.5097106	-0.70240235	0.3593161	0.20949204	-0.13033728	-0.733649	-0.9880987	-0.2085068	-0.35796013	0.3664812	-0.020136144	-0.99356586	-0.10775053	-0.3373175	0.99319726	-0.4141047	0.67319685	0.59038883	0.2301705	0.4075569	-0.836425	0.18375202	0.8604077	0.9778483	0.33237618	0.09413464	-0.30522212	-0.7278361	-0.25954592	0.31243023	0.22380571	-0.1667445	-0.5403667	-0.17119783	0.6826661	-0.38389823	0.8936107	-0.94020677	-0.46083355	0.8195508	0.49990496	0.70531267	-0.2736636	0.24607167	0.040093977	-0.99993753	-0.44440377	0.025506692	-0.5926724	-0.4826439	0.3536263	0.006631161	-0.038326506	0.21005137	-0.18969668	-0.7175532	0.019733826	0.18575622	0.7879947	-0.123677	0.93678063	-0.5304126	0.67582434	0.31785142	0.28735477	-0.2669311	-0.004762243	0.004240766	0.32644227	0.7459348	0.89784044	-0.13875723	0.5791953	-0.4240709	0.94834125	0.6118279	0.066073276	0.61678356	0.6453175	-0.20664182	0.5041281	0.14827755	-0.08804017	-0.26355258	0.99826753	0.33544195	0.298734	0.38728914	0.1930322	-0.16845706	-0.28008798	-0.43626517	-0.35852575	0.042156942	0.35423487	0.99955916	-0.03904099	0.13201033	-0.3261092	0.17527199	-0.5171839	-0.9360435	-0.34989375	0.28099024	0.13725357	0.03546441	-0.9982094	-0.19278753	0.98135436	0.0731902	-0.2904023	0.28813508	-0.031760555	0.1913048	0.9845113	0.34647292	-0.18259917	-0.82367593	0.6730488	0.19599126	0.15309784	0.11524367	0.13198584	0.9981908	0.36847273	-0.9549427	-0.9879804	-0.2032247	0.4796516	0.35366035	0.5824844	-0.32139784	-0.4359282	-0.66390085	-0.35442895	0.18762274	0.017945925	0.23388112	0.049980476	-0.41303843	0.5113165	-0.97686005	0.56525135	0.5426523	-0.5703233	-0.10394562	-0.50299317	-0.67536	0.49605644	0.33420813	-0.87429106	-0.07584403	-0.27611485	0.56124425	-0.12942864	0.7517177	-0.6695407	0.16187277	-0.09021825	0.36983085	-0.29168987	-0.35817036	0.054648932	-0.7808857	0.31870767	0.0733847	-0.120706625	-0.37236556	0.017040754	0.40112	0.36158976	-0.63929254	-0.11011421	-0.68301344	-0.22320394	-0.9599481	-0.3934945	0.39407748	-0.18580051	-0.8562962	0.19738442	-0.09847013	-0.20413326	0.69256115	0.28725603	-0.033191442	0.111761615	-0.16348359	-0.13156953	-0.64318323	-0.89211494	0.69935834	-0.20387246	0.030251978	-0.33622548	-0.27564302	-0.00261115	-0.19210583	0.38541636	0.04108111	-0.5088225	-0.13612375	-0.5058136	-0.34435543	0.07134142	0.17511591	0.80961967	-0.38097498	-0.065380074	0.0668939	-0.7929914	0.29725945	-0.23665965	0.30665553	0.21393786	0.24285802	0.117666855	-0.9977943	0.00592189	0.6709728	-0.23903435	0.31729817	-0.09359963	-0.049882367	0.0509149	-0.23911776	0.31303382	0.11377697	-0.54409707	-0.8346063	0.10864613	0.3280104	0.7489423	-0.42121166	0.5797483	0.33804184	-0.6812383	0.21870382	-0.14151889	0.26134244	-0.13806729	-0.16521612	-0.13595448	-0.4906151	0.2735023	0.8034698	-0.200978	0.99942136	-0.41347277	0.66593736	0.042430736	-0.015872994	0.49227417	0.6922337	0.83390903	0.071766436	-0.34004378	0.999256	-0.3478094	0.07534548	-0.008424956	0.7196915	0.99964374	-0.9837195	0.3800385	-0.29222652	-0.4404175	0.06288422	0.52391803	0.44255066	-0.1724146	-0.7453439	0.9879995	0.16647142	-0.12041197	0.57415867	0.44733936	0.33981353	-0.18907727	-0.34391233	0.552565	0.11423	0.23923121	0.0683772	-0.9998641	-0.42405996	-0.57174504	-0.21396327	0.10394151	-0.7837566	0.232072	-0.26458976	-0.12843424	-0.8677873	0.15249065	0.3505647	0.1168858	-0.0741086	-0.024139442	-0.049341097	-0.49035865	0.54882133	0.36867595	0.37409797	0.73012996	0.0785274	-0.03206347	0.31352645	0.4078904	0.67032886	0.20078291	0.2785685	-0.15936828	-0.37774286	0.20305514	0.93101263	-0.99582773	0.5340936	-0.50823456	-0.3776678	-0.09939403	-0.2826014	0.34095168	0.9988022	-0.6609605	0.11425231	0.119306184	-0.07506429	0.50836456	0.3984019	0.01538199	0.12952891	-0.3609952	-0.6220899	-0.22940834	0.0642438	-0.4373997	-0.7070289	-0.8356086	0.8549064	0.2044482	1	-0.10845123	0.57870454	0.08712816	-0.08417262	-0.6906366	-0.35091478	0.7017758	-0.12317245	0.5209379	-0.4135884	0.058298428	-0.19444339	-0.35658926	-0.6787435	-0.052370735	-0.60587204	-0.596171	0.01634776	-0.061114658	-0.6912452	0.30262572	-0.030222012	-0.51536584	-0.13928033	-0.7879585	0.35782138	-0.51759243	0.4051305	0.057637252	0.14782643	-0.28626084	-0.10929295	0.29216576	0.027318055	0.26902452	-0.5514113	-0.3020671	-0.36916116	0.109684065	-0.28698438	0.99999934	0.26389086	-0.7540742	-0.18563724	0.998113	-0.0605892	-0.29492825	-0.9999003	0.083596185	-0.52407885	-0.39437628	-0.005307461	0.38836998	0.28629184	0.10125767	-0.24740627	0.3933117	-0.5700652	0.18746695	0.05189974	-0.15897332	0.060860284	-0.99986804	-0.99729943	-0.9778796	0.3860367	-0.25743023	0.6136927	0.21192294	0.19128814	0.793666	-0.34700525	0.11197978	-0.0789484	0.33933955	-0.38955984	0.27452832	-0.47399595	-0.10580307	-0.24747393	0.2227742	-0.9807196	-0.9997555	-0.3945808	-0.7095281	0.32860726	0.2716439	0.052640747	-0.97439295	-0.41588506	0.039676417	-0.31809267	-0.27045518	0.31711465	0.33471113	0.25366405	0.37512338	-0.06679099	0.4834519	0.20141396	-0.0712648	-0.21620005	0.3816865	-0.5790813	-0.35145006	0.29121906	-0.4940883	0.52764904	0.26022813	0.04972712	-0.4587973	-0.26880267	0.10818802	-0.9307958	-0.83568484	-0.3867323	0.30166844	-0.69942	-0.16544974	-0.6006248	-0.043572072	0.26806414	-0.09848171	0.9999785	0.3199315	0.34997874	0.5482411	0.36560202	-0.18003033	-0.15805425	-0.34368506	0.37895107	0.4125433	-0.560839	0.6395466	-0.32690874
127	0	COc1ccc([N+](=O)[O-])cc1N	-0.5061312	-0.3364152	0.28889966	-0.5284405	-0.4365709	-0.38580918	-0.57557297	0.29447764	0.20998439	0.19407812	-0.14427526	-0.15076184	0.14521271	-0.009925609	0.17600888	0.32303727	-0.457989	0.17372842	0.08653915	0.47080758	0.677575	-0.6593991	0.4419684	0.4295339	0.2546111	-0.5648027	0.30494007	0.41166988	-0.54587764	-0.6528713	0.032790564	0.38798973	-0.32853612	0.15792342	0.10865886	-0.4574569	-0.020178065	0.61363643	0.37674266	-0.73065645	-0.9930239	-0.07219507	-0.5426582	-0.26571384	-0.17978431	-0.99577045	0.4579759	0.1787963	0.91132224	0.1496907	0.34739035	0.030246032	-0.4981933	0.059013546	-0.9134564	-0.21055192	-0.66448164	0.927455	0.4431599	0.15262689	-0.38910505	0.22364786	0.19174094	-0.47248873	0.38023996	0.8094641	0.52186155	0.20056742	-0.29693416	-0.104443744	0.34071997	-0.9983679	0.57859015	0.039589148	-0.5299584	0.20429522	-0.58381754	-0.18798313	0.18628117	-0.99633634	0.060198776	-0.074131906	-0.9287197	-0.4525751	0.04158147	0.6987674	-0.25974974	0.044295017	-0.687882	-0.66598374	-0.5498824	0.09962684	-0.14812517	-0.014606684	0.99159586	-0.44321242	-0.42831165	-0.38928097	0.6085154	-0.3108864	0.58374697	-0.65644795	0.13047467	-0.60319453	0.88402987	-0.8759938	0.057380043	-0.095661104	-0.7504579	0.50652134	0.15751044	-0.38541833	-0.36927176	0.32296452	-0.08704869	-0.4422682	0.33951247	-0.098758616	0.9993573	-0.4625047	0.044877697	-0.58414984	-0.10063883	-0.49457738	-0.20377903	-0.40738788	-0.14293282	-0.4326991	0.20693867	0.9892555	0.15603416	0.23516467	0.031543024	0.28896207	-0.35466915	-0.507188	0.15585613	-0.24860434	-0.58365124	-0.3953919	-0.99260116	-0.22208665	0.8633614	-0.26514348	0.06770815	0.4397523	0.21036182	-0.4087939	0.9928444	0.013352072	0.33932632	-0.288605	-0.73550975	-0.02053814	-0.40436596	-0.2378644	-0.42191303	0.9983946	-0.54523486	-0.8674185	-0.99320376	-0.051169444	0.10448086	0.06551854	-0.42870495	0.33480573	0.11925976	0.6001446	-0.2926963	0.2571612	-0.41553143	0.070512034	0.17809528	-0.57285815	0.4768543	-0.9497102	-0.8033736	-0.18160205	-0.52104586	0.3465397	0.6498032	-0.99668354	-0.2514452	0.06885635	-0.72781473	-0.41948393	0.39559355	-0.058317672	-0.12784155	-0.25214273	0.8362682	0.28329408	0.14619577	-0.35025495	-0.2218697	0.010329295	0.33607432	0.82203364	-0.34701717	0.23064551	-0.3002703	-0.050639067	-0.23691061	0.21038947	-0.4127638	-0.2752209	0.31764865	0.061574917	-0.06705455	-0.9219623	-0.09276177	-0.3220028	-0.107960336	-0.3908219	-0.15722536	0.6458744	0.5771245	0.08338571	0.07869799	0.06960163	-0.39701867	-0.4308952	0.07418275	0.21860303	0.9906042	0.13743402	-0.11118118	0.29702684	0.25212306	-0.4375402	-0.03336404	0.022193443	0.65020734	-0.46523654	-0.5982673	-0.1536829	-0.56000066	-0.34078217	0.5118482	0.33368304	0.6089893	-0.060963064	0.39582956	-0.17979863	0.5728263	-0.1762123	-0.10839175	0.5372248	-0.44023442	-0.01539747	-0.2508866	-0.998179	0.39476177	-0.34368855	-0.08304801	-0.026350677	-0.04368425	0.03998425	0.03214929	-0.052236546	-0.8142527	0.3853575	0.43187046	-0.026045665	0.5719299	0.16249812	-0.047050647	0.49941573	-0.9554155	0.22090106	0.18311323	-0.61166155	0.46217474	0.29798183	-0.26151955	-0.08860974	-0.23786539	0.3843562	0.09703159	0.72188467	-0.014490267	0.99925435	-0.31101337	0.3721888	-0.2895199	0.08453034	-0.1775955	-0.3685349	0.53509974	-0.16858257	0.010834254	0.99941367	0.417204	0.85881996	0.2347831	0.02534721	0.99806315	-0.36977175	-0.10043826	0.09496815	-0.21626736	0.74000514	-0.51854986	0.3352185	0.2524595	-0.21474284	0.9943525	0.06329439	-0.30977425	0.375593	0.37730768	-0.27787486	0.38104922	-0.5309716	-0.75721073	0.01883234	0.20740756	0.26649588	-0.9942483	0.45380402	-0.033350307	0.02194201	0.33155882	-0.81100136	0.026010698	-0.20904826	0.42948842	-0.8253792	-0.5183927	-0.10816714	0.41335174	-0.12548502	-0.17572579	-0.26837346	-0.075674266	-0.86710936	-0.13441402	0.16356218	-0.60362375	0.16093305	0.47603357	0.38203844	-0.6746858	0.40412754	0.5471644	0.54052746	0.36133838	-0.5328919	-0.03839696	0.90163565	-0.99403226	0.029186536	-0.31467924	-0.08074682	-0.14463176	-0.08413777	0.0394514	0.99749595	0.062510446	0.07469048	0.29200396	0.35484517	0.39168155	-0.2641151	-0.27056658	-0.21576971	-0.22741012	-0.58774406	-0.17972422	0.41048175	0.002711851	-0.22644003	0.4071414	0.8952566	0.03797423	1	-0.25659272	-0.09618281	-0.10286602	0.03152557	-0.810647	-0.34573764	-0.19238256	-0.737621	-0.061185334	-0.49082258	-0.29898745	-0.6608438	-0.43838912	0.7455284	0.17474899	-0.50236213	0.66654724	0.15025882	-0.41602084	-0.602561	0.6951387	0.7035154	0.844528	0.71813536	0.20856291	-0.006311148	-0.13680595	0.019405797	0.37754938	-0.20845032	-0.10445555	0.9828969	-0.2625663	-0.395624	0.33406878	0.6660261	-0.1679631	0.005935427	0.54329795	-0.24380541	0.999985	-0.43659982	-0.9825905	-0.19942851	0.9977647	0.23191947	-0.36956242	-0.99847424	-0.6070662	0.53888935	0.5808424	0.30829272	-0.47651187	-0.5281898	-0.47002125	0.8550361	0.21501604	-0.51365805	-0.14126915	-0.22510861	-0.47098297	-0.35160607	-0.9998159	-0.9996016	-0.99540657	0.17257895	-0.4453605	0.47535866	0.046753958	-0.5162743	-0.8332268	-0.2179764	-0.14467257	0.17922041	-0.84324604	0.11121814	0.15120256	-0.41217417	0.6265151	-0.09549665	-0.096000224	-0.9860077	-0.9998914	-0.56920415	0.3983169	-0.13149005	-0.5410363	-0.008311102	-0.2544986	0.66875386	-0.036754	-0.26955032	0.013985477	-0.17358045	-0.16161081	0.9549524	0.3541578	0.861925	-0.20354818	0.41193494	0.075651616	-0.22141339	-0.39157555	0.094863415	0.10416465	0.87319654	0.40431997	0.006131025	-0.41838738	0.5099028	-0.6122244	-0.62373394	-0.09645257	0.693007	-0.11192945	0.53156686	0.5593237	-0.79129577	0.23238489	-0.49526924	-0.3981314	0.22208677	-0.10864021	0.9990846	0.36680555	-0.1584996	-0.5127746	0.6392634	-0.15014715	-0.29919162	0.36947146	-0.06573975	-0.7729599	-0.45910683	0.58278006	-0.2723542
128	0	Cc1cc(=O)[nH]c(=S)[nH]1	0.16305406	0.14079763	0.45398307	-0.004678409	-0.5246239	0.40938506	-0.25410742	-0.67383194	-0.32585973	0.16570023	-0.20045972	-0.27943885	-0.39189118	0.031336404	0.56150573	0.13870674	-0.66841495	-0.30830753	-0.6821168	0.054634683	0.71165264	-0.9178629	-0.40199724	-0.089090094	-0.14290889	0.07191081	0.36207297	0.29256645	-0.16245183	-0.18560627	-0.44164777	0.4221535	0.106997125	-0.17254983	0.60225433	0.28477147	0.44407207	-0.21894023	-0.5613079	-0.71058124	-0.9969439	-0.7228657	-0.03076664	-0.56537306	0.4998392	-0.99868774	0.446128	0.35626325	0.82285935	-0.67870444	-0.36549145	-0.21185687	-0.37477785	0.26523364	-0.82970566	0.41222882	-0.54907125	0.93978125	-0.35812807	-0.28882942	0.019363075	-0.6710314	0.5725141	-0.27387196	0.33384663	0.073778145	0.27991903	0.50264496	0.24632457	0.26069877	0.11482614	-0.9996521	-0.23814514	0.07784492	-0.58210015	-0.15466835	0.66174585	0.16940463	0.81500727	-0.9999568	-0.97225	-0.18234561	-0.93473893	-0.47583175	0.67720604	0.96444815	0.65772176	-0.02857928	0.32764497	-0.14981335	0.4488548	0.40138158	0.05468179	-0.7664326	0.96283656	0.34738538	-0.88576174	0.6277355	-0.12215027	0.1308816	-0.3595715	0.068400346	0.50482786	-0.77965695	0.96538264	-0.65739506	-0.2973513	-0.06286304	-0.99994063	0.29480368	0.07836309	0.136584	-0.2765001	-0.66440153	-0.2345445	0.5414285	0.12706684	-0.2667566	0.9998956	-0.6609501	-0.49289554	-0.47723886	0.17910504	-0.60462344	0.07857678	-0.27351257	-0.49043673	0.21152544	0.25357535	0.949097	-0.4226482	-0.35646477	0.2493362	-0.3007632	0.12544937	-0.48745027	0.22623657	0.32173878	-0.8373152	-0.343599	-0.9956014	0.20296955	0.9421051	-0.025329525	0.17748034	0.40805966	0.24591236	0.012788546	0.9975592	0.13111506	-0.41005218	-0.45535126	-0.49057525	0.1778457	0.13260691	-0.018589443	0.25298518	0.9996916	0.29271066	0.52781016	-0.9963278	-0.5634175	-0.023436166	0.17525627	-0.28492877	0.019649658	0.13915819	-0.035870127	0.04580402	0.14705576	-0.6592807	-0.29755196	0.86354977	-0.46123186	-0.14582078	-0.7737305	-0.839531	-0.23763682	-0.09496998	-0.17957824	0.16127853	-0.92348623	-0.32876772	0.37870562	-0.90378284	-0.17655148	0.2020578	0.7805323	-0.8111102	-0.15756892	0.894981	0.41772762	0.6509605	0.41357955	0.6488564	-0.5772699	-0.2441686	-0.12038214	0.06369306	-0.12465697	0.2858116	0.64173204	-0.5544377	-0.37754315	-0.62665904	0.15310995	0.3023226	0.5305534	-0.3152447	-0.61792415	-0.60685325	-0.05615832	-0.01523348	0.43372634	0.628997	0.372726	-0.68099004	0.49996734	-0.33997887	0.5983676	-0.392159	0.15796782	0.77108663	-0.07319478	-0.7385104	-0.29367754	0.18569964	-0.39536145	0.49063945	-0.64294803	-0.26663515	-0.6390976	0.064270064	-0.5770497	-0.089994095	-0.2897088	-0.26563987	0.5865003	0.2285934	0.7037641	-0.9976468	-0.5203369	0.10216143	-0.3168471	-0.4173999	-0.41905063	0.14198643	0.89401615	-0.23596548	0.39690977	0.73678464	-0.99886674	-0.13830966	-0.7285481	-0.039337065	-0.22267736	-0.08824873	0.054254863	0.09481915	0.64517343	-0.7001279	-0.08762562	0.15970284	-0.025977515	0.26438954	0.16170177	-0.293614	0.3070515	-0.8133757	-0.49336866	-0.6829329	-0.23694487	-0.32227638	0.5412202	0.29305786	0.47530213	0.12571327	0.66386104	0.6734724	0.67167854	-0.49192604	0.9997053	-0.27569687	-0.03433957	0.14828762	-0.41874453	-0.79262674	-0.98235315	-0.9026367	-0.5378802	0.32977036	0.9998432	0.45049602	0.89248693	0.56547934	-0.21520497	0.9990075	0.03611016	0.7166899	0.28991038	-0.28780767	0.6782403	-0.122404486	0.74563533	0.65313447	0.5142239	0.999599	0.6069077	-0.7775017	-0.22160304	0.28380767	0.44779685	0.16586985	-0.5958255	0.044325594	-0.50403345	0.015483279	0.62510234	0.9862013	-0.003771217	0.33613598	-0.32737476	0.31087625	0.10618717	-0.67643595	0.03539884	-0.41706505	-0.7893116	-0.14183791	0.17057164	0.6623771	-0.5199692	0.45027137	-0.37297162	-0.19117694	-0.9327734	-0.21955544	0.7248373	-0.5917935	-0.08252617	0.42369878	-0.62290496	-0.46249238	-0.20770484	-0.08349535	0.677235	-0.010556309	-0.52259904	0.34253588	0.95903134	-0.994552	-0.422783	-0.7172672	-0.61823004	0.3108879	-0.23569876	0.3899324	0.97597235	-0.7480829	0.47022846	0.39728144	0.322198	0.13556568	-0.59937817	0.19601175	0.53720945	0.72998434	0.5240726	0.4439807	0.37964088	-0.28270835	-0.29294997	0.41626966	0.822203	0.44074985	1	-0.4154596	0.27387112	0.038464222	0.09137622	-0.95263964	-0.31994587	-0.37508568	0.009741009	-0.42567322	0.6047447	-0.38590792	-0.5435095	0.3279503	0.814726	0.10991581	0.21599929	-0.75049907	-0.27014288	-0.043071765	-0.52417284	0.5461248	0.68715715	0.88452125	0.7692379	-0.16608517	-0.3054534	-0.122805625	0.40405184	-0.20115359	-0.40871584	-0.30477425	-0.44348827	-0.107084155	-0.83991474	0.39063305	0.35154393	-0.4064121	0.62139016	0.7973174	-0.41306773	0.806252	0.08796385	-0.9858825	0.09458533	0.9988775	-0.37946078	0.10219765	-0.8999587	-0.7217859	0.8905726	0.6709089	-0.37585902	-0.6162221	0.007255741	-0.11662422	0.74592525	0.48229137	-0.6436428	-0.36733347	-0.2683568	0.4413605	-0.17703831	-0.99998003	-0.99962896	-0.9985082	0.008400979	-0.44192106	0.42794842	0.1719736	-0.31204134	-0.9029836	0.55714947	0.070891604	-0.77817935	-0.4840008	0.046992287	0.56691945	0.21445289	0.38201395	0.63118196	-0.50911117	-0.99648404	-0.9999794	-0.5287774	-0.31207392	0.33457384	0.01882829	-0.04077786	-0.619495	-0.6428107	0.3131362	0.7524857	-0.5506583	0.37210384	-0.4934449	0.91418445	-0.39793152	0.8872812	-0.63350004	-0.1018802	0.33687505	-0.6271847	-0.40412283	0.17498076	-0.14889391	0.87337565	-0.15795375	-0.44049075	-0.16591746	-0.30765146	-0.7105611	0.5781868	0.38051575	0.7310347	-0.20696205	0.20058948	0.26661333	-0.9777683	-0.1863975	0.08027997	-0.27736613	0.6324923	-0.33717784	0.99994165	0.2665021	0.45761746	0.17038146	0.2674046	0.32622823	-0.36112007	0.6747755	-0.37257248	-0.25539657	-0.40426528	0.4917087	0.19999106
129	1	Nc1nc2nc[nH]c2c(=S)[nH]1	-0.02618842	0.5308199	0.3935717	-0.07326583	-0.20714945	0.4380616	-0.23873569	-0.5405648	0.07556546	0.34010255	-0.23605517	0.08256904	-0.22528203	0.26671374	0.52044547	0.334573	-0.46319526	0.23688431	-0.27268535	0.2140524	0.6686448	-0.8305301	-0.33052662	0.071482606	0.14900433	0.051678386	0.21390943	0.28627136	0.023121297	0.09938553	-0.24865748	0.15573041	-0.4978878	-0.1717879	0.38225648	-0.19969918	-0.11816958	-0.74172497	0.2961371	-0.7967894	-0.8018773	-0.3892948	0.46018824	-0.31552076	0.16198802	-0.99573845	0.12114741	0.18145315	-0.04802	-0.57079256	0.1432843	0.30648813	0.2948446	-0.28077972	-0.6501823	0.011243203	-0.73907423	0.9129312	-0.5440754	-0.31502637	0.5767819	-0.1377294	0.5495848	-0.082521625	0.48246652	-0.25190744	-0.06763231	-0.5036753	0.7548131	-0.6575664	-0.72661173	-0.9994778	0.13494368	-0.69644785	-0.6845046	-0.41987643	0.14985444	0.046133865	0.690771	-0.99770665	-0.94779754	0.047067977	-0.9290434	-0.4795294	0.49863586	0.9261668	0.6021616	0.3160466	0.017973352	0.031166952	0.2856941	-0.18033601	0.076736525	-0.5231099	0.99508375	-0.074636385	-0.9062587	0.2310625	-0.56007093	0.001668546	-0.53859967	-0.19948544	0.22459614	-0.71427965	0.8343354	-0.9076318	-0.73589575	-0.22666378	-0.99999803	0.036243998	-0.38687566	-0.11886059	-0.41698536	-0.47300068	-0.30691198	-0.24153869	-0.16917494	-0.3355505	0.999851	-0.52634203	0.07659466	-0.48293468	0.01680185	-0.5396824	-0.280021	-0.031516217	-0.68246275	0.35244793	0.4574136	0.92208284	-0.4126392	-0.7863376	0.1926266	-0.23570663	0.30023995	0.30627164	-0.24736746	0.5231323	-0.24541134	-0.2653109	-0.9998543	-0.07262003	0.81095195	-0.21093564	0.4868384	-0.1587776	0.001466076	-0.44420382	0.9873569	-0.61250454	0.23831739	-0.3700482	-0.55365586	-0.18946894	-0.5202307	0.25782338	0.35747123	0.9989284	0.476639	0.4618262	-0.99580157	-0.13256802	0.15491953	0.15822001	-0.29271725	0.29091474	-0.31323865	-0.31418043	-0.44893453	-0.3975437	-0.48386753	0.20521523	0.74163896	-0.43962866	0.03786085	0.45065984	-0.8547448	0.6483113	-0.621948	0.026984936	0.50542825	-0.9868036	0.121221945	0.73569125	-0.5490852	-0.15026873	0.47524112	0.63239527	-0.8845844	0.06757235	0.99418676	0.046280216	0.38528392	0.7117728	-0.14351481	-0.4422788	0.08503845	0.82184166	-0.486682	-0.44575188	0.4926753	0.6128494	-0.536236	-0.000519164	-0.46636367	0.18711452	0.28531012	0.4910896	0.37251693	-0.9658641	0.2188306	-0.0951259	-0.63519776	0.66572285	0.19078507	-0.017961487	-0.409525	0.4005617	-0.51982564	0.6216403	-0.35891965	-0.4369373	0.68315923	0.62193555	0.957532	-0.21801063	0.010541225	-0.19815704	0.2080213	-0.3812632	0.05294715	-0.76999706	0.101780474	-0.5360638	-0.17430961	-0.34911653	-0.7125398	0.6850805	-0.16522895	0.5788074	-0.99898505	-0.2504703	0.72387	0.32240796	-0.117508076	-0.01730308	0.120698735	0.75757134	0.31366673	-0.027953055	0.044668753	-0.974203	0.012659053	-0.42950395	0.055086643	0.08536053	0.31902188	-0.28849727	0.1958307	0.27170005	0.03905556	0.11848933	0.2232503	-0.12483769	0.39996237	0.01332451	-0.26995176	-0.0741972	-0.9926148	-0.1206574	-0.077525444	0.78989947	-0.5514505	0.40616423	0.5756719	0.89554673	0.14823443	0.7518888	0.8111447	0.6485167	-0.11156385	0.99964714	-0.12848721	0.3506257	0.05480316	-0.14125758	-0.8565659	-0.9951531	-0.9614183	0.28494763	0.5491384	0.9997192	0.5744237	0.85718066	0.4633269	0.5262032	0.99997276	0.19083849	0.1471009	0.35039014	-0.3737439	0.3642828	-0.55516046	0.22434005	0.94224674	0.46201995	0.99741066	0.5870078	-0.8432663	-0.29655263	0.40311113	-0.21552823	-0.3054434	-0.17129566	-0.44262254	-0.03266441	0.36484763	0.6892226	0.9999827	0.1301607	0.18315616	-0.33908054	0.40667567	-0.3849066	-0.69674575	-0.6613513	0.31657338	0.020648105	0.5324081	-0.22768164	0.5496872	-0.3812164	0.27555457	-0.7595618	-0.53198606	-0.9526642	0.24025981	0.13451539	-0.68052113	-0.33303726	-0.2794774	-0.8520661	-0.6728679	-0.2296732	0.016915023	0.42327717	0.16222778	-0.2686835	-0.12571956	0.8913314	-0.9911702	-0.6602193	-0.1285673	-0.020858457	0.6376537	0.4838997	0.05967636	0.9928229	-0.081341036	0.8660681	0.3065206	-0.24826239	0.6689539	-0.23879865	0.68193924	0.24568278	0.27856004	0.37039238	0.57675785	0.43016294	-0.17655775	0.31700322	0.5541978	0.13505252	0.049589045	0.9977606	0.33503142	0.0014575	-0.4377742	0.22907442	-0.8592176	0.38060424	-0.2889219	0.21950659	-0.6257225	0.38554308	-0.4304851	-0.57951266	0.50406545	0.835118	-0.30851322	0.03399817	-0.45466053	0.6524968	-0.6488263	-0.04982097	0.7556314	0.71277505	0.9114319	0.80734974	0.6809455	-0.29104376	0.6303634	0.47162446	-0.41548076	-0.55607444	-0.1781726	-0.5423439	-0.2395393	-0.34196082	0.7064531	0.6857543	-0.35358834	0.32078385	0.7816451	-0.39029783	-0.98603266	0.095834024	-0.9923315	-0.10813566	0.9987629	-0.039989777	-0.43751335	-0.2674531	-0.6153748	0.9145339	0.69769293	0.002273891	-0.681071	0.31343234	-0.719781	0.85808444	0.11586383	-0.824782	-0.27560613	-0.51877207	0.19073187	-0.77236766	-0.99998105	0.99466014	-0.99805593	-0.26061422	0.19409747	0.48665857	0.5867325	-0.4463078	-0.8441478	-0.063603796	0.48760232	-0.35863844	-0.16742237	0.31914628	0.12683181	-0.34078786	0.5542287	0.43521872	0.12191144	-0.9899698	-0.9999741	-0.6435712	0.26521704	0.27883837	-0.1940049	0.2321786	0.41324905	-0.28592408	0.4462888	0.1894957	0.18975	0.59946334	0.05013304	0.95673305	-0.23061666	0.3490596	-0.4158282	-0.12705101	0.002490396	-0.6468508	-0.5298202	0.56760484	-0.6688145	0.952974	-0.82673234	0.47292787	-0.17122518	-0.33976635	-0.40740556	0.66257095	-0.09835791	0.6922416	-0.3203172	0.081182614	0.3024323	-0.85919225	0.20707105	0.13051866	-0.474717	0.55654746	-0.3855011	0.99993503	-0.433332	0.5542297	0.37537202	0.56480443	0.25095573	-0.059975345	-0.23786752	0.10620421	-0.7697707	-0.48004675	-0.7154672	0.42549103
130	1	Cc1c2ccccc2c(C)c2c1ccc1ccccc12	-0.6822091	0.09536269	0.63602465	-0.1384623	0.59859616	-0.43176794	-0.6796362	-0.14498726	0.3552165	0.20560254	-0.8946453	-0.10220554	0.13120669	-0.4696579	-0.5897386	0.55132765	-0.64637077	-0.10236353	0.24445835	-0.3386608	0.3846026	-0.7774315	-0.18616797	0.38672724	0.5609054	0.61353177	0.7579426	0.010247505	0.7035455	-0.062459394	0.035806064	0.27850327	-0.43236324	0.05479492	-0.03983701	-0.3137643	0.3643204	0.18930088	0.9971721	-0.945375	-0.92519593	-0.83784646	-0.38631994	-0.23408008	0.15002602	-0.89804995	0.22697501	0.14121716	0.98379517	-0.016107405	-0.35652873	0.27114058	0.15742657	0.26558316	-0.9809239	0.17155838	-0.7686663	0.35446575	0.011168409	0.43712506	0.018743092	0.4305213	0.38641056	-0.014257817	0.28533772	-0.013029417	-0.394575	0.55698544	0.21959005	0.62175983	0.97416025	0.58815396	-0.12720092	-0.8388069	0.9415378	-0.41516808	-0.6061619	-0.5379995	-0.2769539	-0.99891496	-0.31418025	0.030419433	-0.77657866	-0.09301696	0.22549076	-0.9692656	-0.24392442	-0.40741387	0.038214494	0.13579492	0.46181476	-0.2761291	0.1407852	0.27327514	-0.39739817	-0.013909827	0.9226785	0.32173672	0.66332275	0.08373048	0.66377026	0.021257292	0.25527948	0.29952666	-0.94983983	0.5361396	-0.38927412	-0.23175693	0.98556566	-0.32563692	-0.4464242	0.738711	0.14020553	0.1227197	0.026529586	0.4716769	-0.47846958	0.56616783	0.9946579	-0.22851822	0.41983426	-0.5459582	0.010884711	-0.09987772	0.056463826	0.06920342	-0.12110077	0.39980704	0.028802067	0.99997693	-0.6251682	0.47541255	0.20701613	-0.4071734	0.42130363	-0.9566116	0.82080245	0.7958465	-0.8007188	-0.5554647	-0.99998695	0.3976975	0.9933687	0.70507985	-0.48020053	0.660173	0.4103638	0.6736974	-0.3250144	0.048686385	-0.3366934	-0.80244535	0.14153647	0.030740928	0.23473382	-0.37924945	-0.2693205	0.7568968	-0.67876035	-0.9068504	-0.9203436	-0.2542121	-0.40653574	0.22107363	0.5409508	-0.06235788	-0.10366597	-0.3289007	0.1479691	0.7900755	-0.7773814	-0.5509733	0.035973348	0.04430174	-0.5993753	-0.93086314	-0.8428634	0.49806154	0.16144593	-0.48400652	0.2578395	0.84021765	0.6261521	0.23588492	-0.2718044	-0.5851182	0.12685063	-0.031215666	-0.6131667	-0.19687735	0.5319054	0.015072518	-0.2977737	0.5520418	0.26322368	-0.3137433	0.41088971	-0.6859536	0.70136917	-0.12846547	0.6217524	0.71518797	0.016922921	-0.2649391	0.6791283	0.33375612	-0.09462244	-0.5211627	-0.06834558	-0.99988973	0.08642042	0.65434587	-0.063311875	0.42257732	0.22074267	-0.63607216	0.3355737	-0.19196443	-0.3867898	0.3753103	0.5202633	-0.46880352	-0.7910531	0.32413474	-0.9742309	-0.5721588	0.6921674	-0.07294918	0.4069904	0.3807457	0.2645007	-0.63519573	-0.09396872	-0.39637467	0.41416958	-0.3957685	-0.43059763	0.4080282	-0.7033204	-0.14244886	0.783613	-0.076093614	0.7093199	-0.5692961	0.71925133	-0.04380132	-0.07876866	0.14941205	0.111984566	-0.36612746	-0.107899375	0.111794755	-0.5350282	0.3135029	-0.06601921	0.03991423	-0.108301975	0.54959875	0.13457699	0.43277532	-0.5879153	-0.046385463	-0.5628975	-0.3618022	-0.3441404	0.053391553	-0.39821768	-0.25310713	0.81997144	0.6152025	0.504511	0.93973106	0.3488788	0.14275856	0.83138776	-0.13076943	0.02759193	-0.1425969	-0.038226005	0.1322745	-0.2421619	0.9989942	-0.11523681	0.6537722	0.50777656	0.40954795	-0.6325166	0.95622396	0.94600004	0.3290238	-0.6183514	0.9806523	0.26268244	0.36205277	-0.52625346	-0.4092042	0.9999995	-0.99941456	0.661852	-0.47216055	-0.37984577	-0.35046571	-0.30247015	-0.28215742	0.3686952	-0.99501204	-0.47706518	0.23338538	-0.4189182	0.10825309	-0.5161707	-0.7343906	0.7423478	0.1597231	0.9456943	-0.28911337	0.0464671	-0.26402262	-0.99986064	0.07714219	-0.16126454	0.77146643	0.5488972	0.006343341	-0.85982525	0.41450343	0.7882118	-0.9676082	-0.32247576	0.60178155	0.48169082	0.5088825	0.61624765	-0.33776802	-0.6899772	0.98416495	0.11526564	-0.026281886	-0.6434576	0.07655582	0.21273251	0.43946844	0.72399706	0.08105755	-0.50283766	-0.19771266	0.1918119	0.16261747	-0.32639235	-0.34026355	-0.9855023	0.75229186	-0.40083033	0.7426207	0.50559396	0.281868	-0.09480076	0.9995503	-0.02183242	-0.52153856	0.054077614	-0.18399893	-0.52751243	-0.24652797	-0.96999604	0.24444307	-0.53210676	0.23552589	0.21809398	-0.046219353	-0.056331437	-0.16949295	0.7466302	0.74383086	-0.062468797	-0.9999989	0.45203248	0.24850611	-0.17683212	0.18215063	-0.9121969	-0.5179163	-0.28495005	-0.41448107	-0.40483552	-0.52342916	-0.25974712	-0.0833495	0.42767844	0.8355805	0.44213048	-0.30050153	-0.6470934	-0.46227643	-0.15921733	-0.03900684	0.33853865	-0.73228943	0.8725326	-0.4608841	-0.96897286	0.65828025	-0.23568633	0.6819548	-0.35290265	-0.64093524	-0.08997224	-0.81761277	-0.08474069	0.59824985	0.55404824	-0.2855307	0.24942331	0.012536247	-0.5259859	0.06316141	0.99999946	0.74673736	-0.9257886	-0.091632865	0.9992889	0.08818673	-0.3507253	-0.99995446	-0.30700824	0.39728355	0.78991604	0.13973212	-0.5143058	0.18861113	-0.6215397	-0.91592264	-0.8097853	0.091069646	0.053531874	0.195684	0.041821193	-0.30850834	-0.9999733	1	-0.8662903	0.2957681	0.41304633	0.29627976	-0.3150579	-0.63241005	-0.52150136	0.5380906	0.26516303	-0.45175382	-0.8913784	-0.7250797	-0.50608677	0.010159598	-0.15340516	0.2698417	-0.06670177	-0.017865276	-0.9998946	-0.5510895	-0.5792352	-0.56696016	0.06929515	0.11926028	-0.9990758	-0.44522443	-0.45228973	0.34325725	-0.2704261	0.40029296	-0.5286559	0.99259317	0.52443886	0.00423247	0.39023876	0.42594007	0.06544275	-0.71807605	0.2732	0.4958231	-0.058909185	-0.8799032	-0.9763967	0.41418472	-0.2548847	-0.38588223	0.15639454	0.31255645	-0.46887225	0.73988295	0.55115163	0.185865	-0.1170115	0.98122954	-0.19354865	-0.16467762	-0.20525551	0.052509453	-0.19192569	0.99885124	0.7194535	-0.32325366	0.25398952	0.4656239	0.20957945	-0.28117368	-0.9747169	-0.45607856	0.57890487	0.58347213	0.74559796	0.32233962
131	0	O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12	0.40067247	0.28659064	0.0922558	0.05424953	0.6522	-0.07137568	0.04038204	-0.45228726	0.13632976	0.32434538	-0.37435067	0.07105027	-0.3993244	-0.8406635	-0.042382337	0.8420212	-0.025567463	-0.28156847	0.2084248	-0.24997352	-0.08914076	-0.78015226	0.29177633	0.6957313	-0.043771572	0.3438355	-0.023348536	0.2015995	0.63737845	0.11921348	-0.3017471	-0.0624576	0.0896154	0.4444235	0.04064626	-0.06657573	0.40128392	0.5153895	0.9917005	-0.85420895	-0.8153922	0.06578958	0.12146396	-0.004758969	0.49449277	-0.89180946	0.17981705	-0.34893835	0.84457976	0.1504876	-0.11811493	0.031920914	0.18332441	0.112543434	-0.78578603	-0.35097477	-0.6833149	0.39338663	-0.1684076	-0.15182258	0.32852438	0.051110998	0.59319675	-0.020957453	-0.4408168	0.22238985	-0.36076128	0.57402307	0.47903106	0.38927302	-0.36310157	-0.943889	0.25452355	-0.78178924	0.7048796	0.1752549	0.19438665	-0.052483544	0.33376166	-0.9975588	-0.8616771	-0.4924795	-0.804598	-0.7446053	0.21623418	-0.56067973	-0.17381392	-0.6377807	0.041573122	-0.14949472	-0.14956886	0.35619137	-0.41885242	-0.11483391	0.9746576	0.16092682	0.18445759	-0.17563716	0.3249971	0.04347657	0.09907919	0.28060594	-0.1894552	0.69803715	-0.89616	-0.80925316	-0.049473193	0.3581107	-0.99841297	0.39906153	-0.87977195	-0.28598192	-0.6032707	-0.14136563	-0.47584006	0.61163175	0.13423237	0.4223914	0.99776053	-0.060944885	-0.35910496	-0.7380001	-0.041044604	-0.19540577	-0.69064003	0.15369435	-0.002226053	0.42160505	-0.23765911	0.999404	0.19522263	-0.43595436	-0.22927961	-0.39015403	-0.6568316	-0.014708698	0.46767625	0.6971857	-0.6650223	-0.6765696	-0.9999846	0.30323654	0.91640216	-0.35909292	0.3367119	-0.45433018	-0.047103606	-0.34707445	-0.10976582	-0.39610386	0.37864158	-0.88589036	-0.40416452	0.13165191	-0.09543273	-0.3973858	-0.16695331	0.85863113	-0.4311796	-0.32526675	-0.96681756	-0.3364192	-0.37290427	-0.63872033	0.4753741	0.63978493	-0.058466654	0.235209	-0.28537637	-0.28805983	-0.5583708	-0.49937946	-0.04068867	0.20869419	-0.009159222	-0.80855095	-0.7460406	0.40961635	-0.50329185	-0.59888595	0.5480725	-0.84496737	-0.143238	0.34068656	0.042639297	0.34756958	0.16110107	0.18449761	-0.6361025	-0.104328714	0.7490599	-0.14278996	-0.13660593	0.41080403	-0.002711311	-0.4486866	0.47802582	0.34794334	0.14833899	0.036453757	-0.4215691	0.0565791	0.037312325	-0.30398554	0.78928345	0.13742714	-0.027804658	0.10649694	0.091130465	-0.9994508	-0.4369873	0.036419906	0.44781762	-0.33701277	0.52019805	0.13046855	0.2657315	0.14004624	-0.189963	-0.1933161	0.08487291	-0.570042	0.074537836	0.5215078	0.99990857	-0.48326817	0.006996064	0.4030402	-0.25138432	0.10105505	-0.5251097	-0.5939057	0.12711814	-0.6683086	-0.15629846	-0.19482966	-0.38611925	-0.33277825	-0.18906996	0.07427147	0.81754535	0.490166	0.272449	-0.3136112	0.70137024	0.18176118	0.34640127	0.4100255	-0.5818421	-0.4218284	-0.4039345	-0.6899113	-0.08027196	0.3080538	0.82141155	-0.29277638	0.5245494	-0.17274623	0.6849881	0.4831614	-0.28124198	0.7670783	-0.1645669	-0.41750526	0.32598472	0.27159852	0.63984	0.43390986	-0.730914	-0.18554562	0.113518655	0.78149223	0.50162095	-0.03900536	0.28663665	0.8107121	0.32164368	0.703515	-0.30107498	0.39005905	0.07913593	0.9991059	-0.10165901	0.298472	0.20491144	-0.24514939	-0.5604358	-0.52844137	-0.5438337	0.002415578	0.52831393	0.9914249	0.60391176	0.27750292	-0.6170312	0.4466269	0.9999989	-0.9542618	0.30507168	-0.6424526	0.323002	-0.14042316	-0.69536626	0.5436864	0.1511164	-0.83716005	-0.13787684	-0.06760554	-0.11487333	0.08430784	-0.13930097	-0.6866269	0.34185767	-0.46806604	0.01650109	-0.39514795	-0.19917898	-0.45014837	0.9018375	0.12717958	0.56639075	0.17727876	0.25221378	-0.547771	-0.23159617	0.17455788	0.2559614	-0.80182046	-0.17317176	-0.20715041	0.15880863	-0.10472244	0.2594414	-0.114723966	-0.3907587	0.024867274	-0.4024886	0.2971791	0.07088979	0.33701658	0.28353763	0.4217023	0.19266416	0.33826718	-0.06672983	0.33593675	-0.5281842	-0.5391908	-0.36604574	-0.05607287	-0.9744798	0.27625048	-0.00721048	-0.1517403	-0.001988334	0.5749251	-0.21297085	0.9989948	-0.14120992	0.57912564	-0.47323242	-0.17279518	-0.15925378	0.21250303	-0.7290001	-0.1417205	-0.13534339	0.58544356	0.7455607	0.12198973	0.59227943	0.31373376	0.69410735	0.49389592	0.4454617	-0.98320824	0.4690234	0.4598204	-0.029295042	0.40414822	-0.815683	-0.51720256	0.08652511	-0.7920964	-0.6646644	-0.7336263	0.35740706	-0.5036043	-0.6618361	0.84215975	0.4755972	0.6527227	-0.73920596	0.11786202	-0.15443388	-0.37626597	0.23550718	0.17915674	0.7269057	0.58825606	0.1140996	0.05083546	-0.23530824	-0.011877777	-0.10467292	0.46971187	-0.5404611	-0.61756486	-0.47519735	0.17516184	-0.05941344	0.6316773	0.016206758	-0.02887757	0.7215419	-0.401429	0.94709253	0.70624095	-0.96446323	0.12441657	0.99939823	-0.6617685	0.16495259	-0.9603459	-0.22046268	0.23925394	0.6650755	0.4895197	-0.69760776	0.41112423	-0.55315906	-0.29341027	-0.12595336	0.07098327	0.25211194	0.0815401	0.08786927	-0.008493203	-0.9999819	0.99999964	-0.92278874	-0.052698325	-0.2425569	0.6333969	-0.276305	-0.36219326	-0.775654	0.030525092	-0.61926484	-0.093696885	-0.8860831	-0.13752225	-0.65751225	-0.08180252	0.54582804	0.043237973	0.3399407	-0.4847712	-0.9999475	-0.3320185	-0.30441722	0.33569956	0.04413912	-0.36522812	-0.79977494	0.642938	-0.32559568	0.43823418	-0.2903142	-0.20701934	-0.5333353	0.99014616	-0.11155602	0.3871104	0.11690507	0.51864463	0.000499494	-0.7197889	-0.34609467	-0.12459968	0.11516222	0.13119653	-0.61659014	-0.14715667	-0.13346183	-0.6212485	0.2653701	-0.33741558	-0.014668418	0.827806	0.005321899	0.004015916	0.3942634	0.95529175	-0.13984285	0.33630216	-0.30352303	0.3941606	0.20563364	0.9996536	0.8080493	-0.3712287	-0.5699989	0.081046596	-0.18342741	-0.12003758	-0.960497	-0.18861714	0.7913096	-0.39519048	-0.096920185	-0.4046197
132	1	Oc1cccc2cccnc12	-0.6199384	-0.008687716	0.33603087	0.35544747	0.15822825	0.27009213	-0.3376242	-0.2593932	0.27019832	0.18920454	-0.486675	0.10177931	0.3678558	-0.6305002	-0.19713199	0.8380227	-0.13308722	0.031087033	0.31449112	0.1782311	0.49745926	-0.80421275	-0.4721426	0.44869062	-0.33133158	0.34809712	0.5090066	0.32833287	0.15271859	-0.012711707	-0.12744758	0.20405689	-0.124369815	0.3383428	-0.43269375	-0.33785096	0.48833525	0.6531762	-0.38418534	-0.9477536	-0.995796	0.073324546	-0.467967	-0.31111825	0.501546	-0.9969004	-0.11424615	0.25797415	0.9445303	-0.12842788	-0.19046609	-0.2431446	0.23466864	0.1807173	-0.9788469	0.32275197	-0.6722516	0.9628298	0.20817363	0.31113493	-0.5497147	0.16888219	0.48931044	-0.46062106	0.3342842	-0.16868027	0.12235947	0.590149	-0.2218594	0.011086836	0.75937814	-0.9920584	0.12891006	-0.59523857	0.22266807	0.23173536	-0.035893038	0.060678273	0.06480974	-0.9966205	-0.49883163	0.19150281	-0.846367	-0.16223955	0.09268281	0.3316188	0.3199487	-0.32470697	-0.026268385	0.18969285	0.114760056	-0.15525042	0.39999548	-0.27579108	0.43705612	-0.14219782	-0.17924915	-0.30418974	0.30210733	0.2476536	0.6956749	-0.3137573	0.41208273	-0.76735294	0.974882	-0.5227625	0.27116853	0.022980442	-0.81642586	0.35948536	-0.6055174	-0.148481	-0.18810675	0.2533281	0.23158717	0.256098	0.4025429	0.000688691	0.9989269	-0.47179195	-0.2599231	-0.09530095	0.032113016	0.32475063	-0.35927653	0.14890686	-0.6709588	0.09504822	0.20572013	0.99700195	-0.14013317	-0.07590088	0.35043168	-0.38458142	-0.09123049	-0.37272596	0.6515222	0.556766	-0.5725335	-0.12778668	-0.99967206	-0.2748394	0.9903101	0.32156888	0.1513302	0.40237498	0.75747603	-0.12109131	0.9962885	-0.52601224	-0.1191345	-0.70381314	-0.4028945	0.35518292	0.45043036	-0.3231926	-0.6530329	0.99901694	0.08184741	-0.6431626	-0.9948008	-0.002199162	-0.33600828	-0.15428029	0.2748129	-0.07519583	-0.6179457	-0.06027057	-0.02085726	0.124775834	-0.7911852	0.04241127	0.57816195	-0.61338174	0.14107606	-0.9503241	-0.8116169	0.39545152	-0.6534011	0.1141242	-0.07179697	-0.05153918	0.31142855	-0.09443345	-0.92432594	-0.29555312	0.043820698	0.450348	-0.15257475	-0.05152733	0.93569714	0.6434156	-0.434493	0.3986788	0.32884395	0.18502219	-0.081655025	-0.4928228	0.23629856	-0.33534226	0.0407685	0.76695955	-0.2899012	0.5510109	0.15879282	0.32828996	0.27681324	0.30452445	-0.00577605	-0.72588366	0.026242668	-0.092408076	-0.21913204	0.068094656	-0.27134755	-0.015255885	0.086762324	0.2361889	-0.24689981	0.15116797	-0.49522093	0.1668464	-0.2310219	-0.15701672	0.974694	-0.071159065	-0.15200256	0.51162696	-0.12211309	0.023872811	-0.12644759	-0.31835946	0.16362382	-0.703088	-0.44230857	-0.63190365	-0.66467124	-0.45803872	-0.44758612	0.16239879	0.9384681	-0.3999716	-0.06516939	-0.41998628	0.8031037	0.24133919	0.28155202	0.80582345	0.063436165	0.003023598	-0.2698644	-0.94557345	-0.45253566	0.4407673	-0.14974084	-0.0829791	0.06373567	0.106698826	-0.000833314	0.28183138	-0.18709199	0.49194038	-0.07592767	-0.4936161	-0.1557936	0.015934316	-0.08910226	-0.48610067	-0.32253265	0.50744146	0.313106	-0.85464424	0.510315	-0.07804463	0.21793202	0.9103113	0.48878807	0.38549277	0.2813892	0.6666389	-0.19132248	0.99928606	0.21825469	0.74598897	-0.5012033	0.25368094	-0.382216	-0.555984	0.6742966	0.29812378	-0.43240702	0.99938333	0.48255098	0.7929056	-0.083920695	0.29559967	0.9999561	-0.8594803	0.08344246	0.05544763	0.070650145	0.032323264	-0.5799878	0.3884173	0.40483296	-0.56548697	0.99773616	0.359314	-0.79582185	-0.01951549	-0.17801574	-0.59358037	0.120540425	0.08811169	0.8230995	-0.42323416	0.004531929	-0.030968964	-0.9813346	0.013012276	-0.17909278	0.4187544	0.1892257	-0.4603676	-0.49511737	0.2422079	0.27750984	-0.910969	-0.34148273	0.5635937	-0.17719011	-0.5785977	0.00422802	-0.72916657	-0.23198204	-0.091341995	-0.21104206	0.10346533	-0.28934702	-0.20047784	0.25157082	-0.04336599	0.16847265	0.87545985	0.16123153	0.10080431	0.4202759	-0.2492796	-0.111507654	0.94244754	-0.9962004	0.36604345	-0.30308014	0.56401616	0.1255644	0.523663	0.2690608	0.98643637	-0.22956182	-0.11391867	0.6352657	-0.059925124	0.20957354	0.004996082	-0.6683242	0.22995955	-0.048573926	-0.7595382	-0.20155749	-0.20209144	0.21380924	-0.18475921	0.63530684	0.95954883	-0.23342492	0.9986403	-0.1860097	-0.011844999	-0.06725859	0.31623185	-0.8639171	-0.31931648	0.27894568	-0.6091652	-0.6879509	-0.50334954	-0.34438032	0.16471595	0.067720115	0.88984495	-0.04554524	0.18750697	-0.12534338	-0.07273729	-0.084424034	0.2400724	0.1642318	0.68184805	0.893008	0.38524675	-0.91069645	0.44003636	-0.0752053	0.01824314	0.16596314	-0.74777	0.04906604	-0.17401327	-0.6988925	0.4242073	0.56391597	-0.077060364	0.55541646	0.2444586	-0.029830534	-0.68203753	0.9999595	-0.3174616	-0.98471683	-0.30600694	0.999081	-0.4639357	-0.02632904	-0.99789727	-0.047804736	0.7692462	0.7817472	-0.29409125	-0.71870756	0.40981796	0.08917871	0.6514373	-0.43907207	-0.08144053	-0.53336066	-0.14311318	-0.1546907	-0.38731292	-0.99988514	0.987225	-0.9957447	0.16997817	-0.2864282	0.09710871	0.6320259	-0.014123781	-0.8810811	0.7399659	-0.42676198	-0.72737515	-0.85253406	-0.42349255	-0.3961898	-0.3563503	0.24613401	0.5174821	-0.7163576	-0.99300903	-0.99988925	-0.60722977	-0.044842053	-0.103840515	0.25499234	-0.29081622	-0.97975904	-0.15594177	-0.5025107	0.044153303	0.60325336	0.21952784	-0.11119183	0.98001206	0.523081	0.87204623	0.38181326	0.6163777	0.44649926	-0.49436802	-0.2338829	0.3360316	-0.04687493	0.44834659	0.29719937	-0.1576578	-0.49251616	0.05354546	-0.05571371	-0.2643366	0.21285339	0.5170115	-0.21057618	-0.2801407	0.12825999	-0.92027664	0.17642127	0.09879725	0.17799944	0.3325458	0.042989817	0.99900115	0.6858269	-0.11668149	-0.019134665	-0.30406386	-0.3525527	0.19034445	0.75663006	0.20967762	0.12313234	-0.4600327	0.35035262	0.32718024
133	1	Oc1cc2ccccc2c2ccccc12	-0.5811052	0.24336663	0.5087332	0.47841674	0.21193372	-0.063058116	-0.42704573	-0.038308017	0.4023904	-0.21708952	-0.84853226	0.06394503	0.20928097	-0.5174148	-0.44722712	0.8165773	-0.37202182	0.060818385	0.30152425	0.053163525	0.50971043	-0.868329	-0.028064352	0.43213323	0.42558107	0.35772315	0.5968869	0.34837326	0.46266404	-0.15434831	0.24489816	0.16643652	-0.02578716	0.13416314	-0.32778046	-0.3365571	0.4301163	0.30022526	0.9104207	-0.9588868	-0.9858236	-0.30307037	-0.14959458	-0.37664476	0.3532526	-0.9911098	0.11175745	0.23785068	0.9792709	-0.018497288	-0.23706451	0.028556434	0.16351905	-0.047654692	-0.9776136	0.11279613	-0.7466898	0.88041276	-0.039224684	0.41844326	-0.19379464	0.27244014	0.72277147	-0.29960603	0.41765088	0.24235465	-0.29145908	0.60711485	-0.07786855	0.38414612	0.932909	-0.7701995	0.47941026	-0.7390069	0.7607573	-0.08698947	-0.16936986	-0.001970002	0.07596942	-0.9955666	-0.62914336	0.25775516	-0.7741761	0.27493474	0.13765977	-0.7133334	0.11101117	-0.3866196	-0.11881873	0.20498165	0.17433305	-0.43264806	0.04873093	-0.19843225	-0.0779747	0.10196761	0.641556	0.077208295	0.12914789	0.2243526	0.6619779	-0.21106426	0.16967142	-0.46589223	0.32111633	0.08819391	0.032180946	-0.021410076	-0.71579623	-0.09038362	-0.59892654	-0.07480749	0.070019916	-0.21134798	-0.26328215	0.6388913	0.07776154	0.2271504	0.99864733	-0.33511814	0.093184076	-0.75804836	-0.14026469	0.048552405	-0.30167225	0.10095659	-0.32235107	0.51760274	-0.4657707	0.99982494	-0.2495262	0.058156535	0.33739316	-0.5452284	0.2378952	-0.5354029	0.87766784	0.6975336	-0.6095849	-0.13032706	-0.9999351	0.31851125	0.9955158	0.600023	0.6133769	0.10865194	0.079149336	0.11825491	0.9122826	-0.1964687	-0.23708469	-0.4710143	-0.07866356	0.45012522	0.011481755	-0.37978062	-0.23551294	0.99121094	-0.50559574	-0.45306113	-0.984383	-0.15090431	-0.48618168	-0.15116112	0.14048569	0.29691014	-0.46619546	0.065373965	0.004738196	0.63594115	-0.87494314	-0.4206516	0.47188297	-0.16422473	-0.3077623	-0.95568025	-0.83598167	0.5369789	-0.40636966	-0.16636112	0.556612	0.54424405	0.37548098	0.31362194	-0.83637697	-0.5010711	0.070374966	0.05112273	-0.49501973	-0.061044317	0.80595106	0.16134597	-0.041322235	0.4459206	0.12806834	-0.30921847	0.20085734	-0.43172964	0.751667	0.12620994	0.33805206	0.7768583	-0.5219111	0.23428257	0.6751354	0.11356363	0.35767102	-0.2101736	0.24169816	-0.99630636	0.038006525	0.03251397	0.08521979	0.29928625	-0.09786599	-0.5306771	-0.3777915	-0.003628478	-0.43871057	0.38362578	-0.26559362	0.077837005	-0.6567782	0.33147162	0.959294	-0.32192937	0.11309546	0.20094374	-0.1842172	0.21050298	-0.17303206	-0.48474702	0.67443323	-0.5292307	-0.10503911	-0.35824084	-0.5577652	0.2821547	-0.54494077	-0.066872306	0.8661192	-0.30648518	0.37320268	-0.27369368	0.7744585	-0.14191818	0.14628378	0.23349826	0.07263534	-0.14774358	-0.23591946	-0.7026252	-0.4645491	0.36470208	-0.05622021	-0.18893613	0.3021847	0.21445341	0.4648361	0.3194732	-0.5002095	0.44565436	-0.34114596	-0.5241914	0.04465111	0.23358227	0.019430269	-0.21664087	0.16501494	0.5399485	0.3770406	-0.28730187	0.18174635	-0.21020518	0.42026564	0.8839917	0.26552552	0.51487756	0.005155268	0.44816026	-0.008553397	0.99942446	-0.41583037	0.7098009	-0.11471402	0.25306422	-0.3774747	0.09226043	0.555653	0.030728301	-0.03490093	0.99812794	0.41383374	0.6589735	-0.63069814	0.176826	0.99999386	-0.99460423	0.2279453	-0.101147845	-0.17691152	0.10443295	-0.5301903	0.24169223	0.112098336	-0.956594	0.9585503	0.4143363	-0.6898378	-0.14727634	-0.26924738	-0.5883135	0.55328	0.1868777	0.9221051	-0.2839121	0.3380602	-0.35569844	-0.9777629	0.037972398	0.15990622	0.67182195	0.4704658	-0.45208806	-0.7205114	-0.3044285	0.67051333	-0.9736915	-0.2160573	0.46743807	0.5789074	-0.18505609	0.50125647	-0.74639946	-0.13592502	0.81682205	-0.048597544	-0.14658701	-0.52057153	0.2859206	0.30922347	0.04860073	0.33712912	0.5488291	0.2588144	0.37260106	0.18048552	0.08268558	-0.32200822	0.7144161	-0.9956854	0.5437652	-0.26462054	0.39846414	0.651916	0.5922517	-0.2535436	0.9988329	0.2337104	0.10019655	0.2803855	-0.20719501	0.1780809	-0.25062734	-0.93864745	0.04577298	-0.2586739	-0.46025833	0.17847803	0.09056808	0.08955169	-0.4092708	0.7646631	0.9397817	-0.49153844	-0.96664536	-0.030724354	0.2889518	-0.19780153	0.4305161	-0.9174531	-0.13439775	-0.36830378	-0.44325817	-0.4957367	-0.55347234	0.057649855	0.106480345	0.31512263	0.9128329	0.21230221	0.26387703	-0.5994585	0.07634509	-0.35561067	0.116076134	0.40606013	0.09329254	0.8781157	-0.04662184	-0.96091413	0.06302737	0.13591368	0.36285445	-0.6749426	-0.68101066	-0.3725194	-0.5724704	-0.14479463	0.4360269	0.40367857	0.2382958	0.4618654	-0.05525681	0.15450588	0.0642297	0.99995184	0.2651906	-0.97025144	-0.1529202	0.99943376	-0.5607602	-0.36159095	-0.99851733	0.014833068	0.675912	0.7666837	0.14883769	-0.56780267	0.43529877	-0.2900162	-0.5046194	-0.6178435	-0.2434896	-0.48346654	-0.28847444	0.21046993	-0.43311155	-0.9999591	0.9999994	-0.9882165	-0.005660033	0.30164474	0.21105652	0.13713445	-0.68192923	-0.822709	0.6480068	-0.5061664	-0.46816716	-0.9221173	-0.7041733	-0.12611511	0.020575987	0.02595455	0.45164984	-0.15464391	-0.93462837	-0.9999174	-0.6647424	0.036033273	-0.08105665	-0.041144565	-0.19186693	-0.9964629	-0.35287067	-0.7971952	-0.14188199	-0.033915084	-0.005882451	-0.15978883	0.9849372	0.3828967	0.38560247	0.39492047	0.65023065	0.09441985	-0.74754167	-0.26167443	0.5324137	-0.11765566	-0.56034744	-0.62747115	0.23443174	-0.17085832	0.002446797	0.26917216	-0.1902042	0.013488767	0.7552776	-0.02875568	0.3025869	-0.062126767	0.19628456	0.31816787	0.001690025	-0.17457679	0.5212255	-0.031021561	0.9980961	0.7249242	-0.28276688	0.062069226	0.024699403	-0.20959303	0.07537086	-0.39631313	0.06415071	0.38416013	0.1389753	0.58497286	0.20264356
134	0	O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(F)ccc1N1CCC(C(=O)O)CC1	-0.3045095	0.25363916	-0.57638234	-0.30057582	0.117817484	-0.14961639	0.24566096	0.41537252	-0.18873946	-0.30130988	-0.25691846	-0.43960676	0.5285986	0.41625297	-0.14938799	-0.7359104	0.042413414	-0.023684366	0.45031103	-0.46589732	0.15376052	0.012052979	0.42428994	0.15766686	-0.24568951	0.41659993	0.1349724	0.043787673	0.62886006	0.09980779	0.06331772	0.6421027	0.04227145	-0.058640406	-0.3549631	-0.3601939	0.41901863	0.0417193	0.99975336	0.1578419	-0.27215245	-0.20179886	0.09121348	-0.58932465	0.5655068	0.819735	0.226087	0.063794784	-0.725454	0.08858282	0.46670127	0.05948277	0.30393636	-0.4736398	0.2304619	0.040968675	-0.58772594	-0.961244	-0.30766574	0.44711745	0.7957162	0.26629826	0.5311129	-0.08366789	0.021264987	0.6267146	-0.20268258	0.51573515	0.24994585	-0.07805999	-0.9949407	-0.7636212	0.3323227	-0.507249	0.1896679	-0.5494765	-0.30956486	-0.7675071	-0.098663986	-0.9976144	-0.7435471	0.32963064	-0.7668707	-0.0843894	0.40162197	-0.9030697	0.62387896	0.61111575	-0.14262648	0.011476227	-0.044877645	0.37822086	-0.39316735	0.35327324	0.9995975	0.24825296	-0.23367879	-0.43498182	-0.2473605	0.5163023	-0.71464306	0.11003991	0.40942618	0.98724586	-0.9995713	-0.12046462	0.069006555	-0.19215555	-0.9999987	0.15755017	-0.4426119	-0.22216587	-0.67126334	-0.5561821	0.75801724	0.65606993	0.6565291	0.12575336	0.66722894	0.23259793	0.19787014	0.000990346	-0.23415893	-0.09530223	-0.24555907	-0.3207842	-0.37801942	0.65025103	0.33849683	0.9995898	0.12602186	-0.13914831	0.7507882	0.12041187	-0.65357125	-0.899509	-0.09467008	0.12862451	-0.79246956	0.65510446	-0.9999998	0.30547574	-0.15990646	-0.2429465	-0.3220191	0.31682596	0.19260448	0.10796333	-0.9968844	-0.26284698	-0.516671	0.96807116	0.3124941	-0.21342187	-0.69943815	-0.026533345	-0.27725682	-0.9828401	-0.659318	0.92808783	0.52784926	-0.07270957	-0.77381986	0.07307081	-0.1040985	-0.48978925	0.16930902	-0.6136102	-0.11304382	0.75037515	0.599593	-0.59649485	0.503694	-0.043074276	0.37449616	-0.83943695	0.56127626	0.38400882	0.13498347	-0.15322658	0.28282687	-0.9622291	-0.50694287	0.4101753	0.83278966	-0.80438554	0.44091743	-0.21192487	0.15386073	0.06931048	-0.12585078	-0.40838084	-0.165656	-0.20822147	0.39623323	-0.6339473	0.34187308	-0.7393263	-0.015050343	0.18341246	-0.6671522	-0.63045305	-0.6861238	-0.062158655	0.38705102	-0.3603546	-0.32282892	0.642912	-0.47660738	-0.99991435	0.39541152	0.6490193	0.31695628	0.20378101	-0.64413977	0.08235886	-0.35098997	0.2993789	-0.42738783	0.5847239	0.36209118	-0.103531085	-0.8897035	-0.007086021	0.99945563	-0.25435507	-0.58560616	0.48815337	0.014714871	-0.19319314	-0.521209	0.09176891	-0.32503873	-0.3028096	-0.10167524	0.3939924	-0.18669342	0.43294644	0.29607293	0.54493535	0.89397943	0.3651256	0.45836177	-0.7367288	0.35165122	0.32221743	0.73925304	-0.46068606	0.29036596	-0.504369	0.7514746	-0.70236117	-0.8148341	0.38628548	-0.41750997	0.14972407	-0.33505657	0.60293657	-0.33070776	0.2005738	-0.37707427	-0.022165593	0.03968941	-0.34466308	0.5946359	0.032938857	-0.035017204	-0.29510576	0.65739346	0.2351587	-0.4478475	0.9956652	0.5125501	-0.3895109	0.8492579	0.7340605	0.1080644	0.40660068	0.47518846	0.03155936	-0.2388953	0.88201326	0.07990571	0.2580641	0.6269793	-0.301124	-0.31904638	-0.60216016	-0.99977076	0.5779461	0.19587897	-0.67212695	-0.35385716	-0.40053093	0.17419745	-0.1429798	0.9999999	-0.96859854	0.7246065	0.29659578	0.12970094	-0.34937608	-0.38051185	0.60507655	-0.5406639	0.12366753	-0.99948084	0.13315986	0.8989861	0.19611725	0.723972	-0.72843164	0.52721566	-0.27359822	-0.23340717	0.11554835	-0.37865874	0.36111173	0.9999769	-0.2270759	0.2206527	-0.0971766	0.22319457	-0.78858334	-0.5831005	0.7105361	0.42197764	-0.9525399	-0.2206414	-0.55402493	0.027484806	0.5399264	-0.47178856	-0.10174154	0.39841852	0.40582377	0.12761928	-0.12007503	0.39457333	0.5733327	-0.072142765	0.37532526	-0.34613284	-0.5108183	-0.021302601	-0.1249634	-0.41899306	0.46959484	0.098693505	-0.99050426	-0.016991423	0.20199494	0.62728566	-0.22780208	-0.17572366	-0.4153089	0.09591886	0.9996568	-0.6200888	-0.37605074	-0.1501777	0.14184521	0.35320613	0.37580568	-0.824283	0.11848598	0.78569907	-0.2056666	0.08948258	0.27902496	-0.38443527	0.36620262	-0.21767302	-0.35549358	-0.33012095	-0.99824417	0.7405377	0.35924992	0.51870024	-0.498054	0.43521523	-0.25466794	-0.4769928	-0.40854603	0.612427	0.44206733	-0.15754084	0.48868263	-0.49192658	-0.53849155	0.11994305	0.403954	-0.45736855	0.27081072	0.67169166	-0.6927683	0.38672888	0.11480106	-0.7603251	-0.26675078	0.9778623	-0.34758547	0.08201797	0.105549626	-0.10967814	-0.65539604	0.38559705	-0.43709895	0.25081584	-0.5344797	0.40627795	0.41895136	0.06679763	0.54434776	0.63560385	0.4770671	-0.96621144	0.027548231	-0.9882827	0.1457922	0.99966043	-0.68482137	0.0952428	-0.78200006	-0.44908625	-0.74549514	0.02679347	-0.318823	0.4548907	-0.24499983	0.25017923	-0.67945766	0.38875815	0.45708022	-0.82597846	0.06587873	-0.1261017	0.49368793	-0.99970824	0.9999999	0.8726649	-0.022821208	0.05869219	-0.44034496	-0.46201068	-0.6645972	-0.5916225	0.010539746	0.20881714	0.5233176	-0.69360715	-0.14539276	-0.100269996	0.27743965	-0.23371533	0.48082608	0.48740047	0.9869622	-0.99587876	-0.49350587	-0.2532084	0.59051734	0.1377118	-0.13524531	-0.3016398	0.10087803	-0.036276225	-0.4053821	-0.5049297	-0.013201974	-0.1761424	0.94872355	0.014590565	0.8805133	-0.5349644	-0.088963404	0.08966517	-0.84149945	-0.6071712	-0.5716937	-0.07122751	-0.07332769	-0.2757422	-0.5042164	-0.6162617	-0.4201789	-0.2977148	-0.2752044	-0.38235033	-0.015634691	-0.4287193	0.37414595	0.7643164	0.9997049	-0.68099314	-0.6543881	-0.63688916	0.16060087	-0.60302305	0.9999432	0.6482471	-0.3533448	0.020767627	-0.31900117	-0.09208367	-0.006572367	-0.9984986	0.12723713	0.19903839	0.7444478	0.18452406	0.12250877
135	0	O=C([O-])c1ccc2c(c1)nc(C(=O)NC1CCN(C3CC3)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1	-0.17347617	0.6911123	0.3177528	-0.12504975	-0.6062455	0.25518703	0.3817859	-0.14312662	0.59122056	0.70297545	0.27172142	-0.1940961	-0.4647492	-0.64558876	0.2826067	0.44169065	-0.19378893	-0.34588704	0.40256515	0.48769048	0.04564021	0.41896158	-0.35030946	0.05790211	0.3255222	-0.4588499	0.49973258	-0.488318	-0.6909538	-0.63801724	-0.14013869	-0.5287148	0.58970195	0.71578306	0.10589281	0.16608104	0.19339053	-0.082193874	0.99946254	0.08269797	0.7234266	-0.30389667	0.25104302	0.03507154	-0.45299575	0.9940896	0.26886788	-0.38708594	0.307398	-0.6030065	0.21115571	0.5323911	-0.35050118	-0.03601207	0.7468503	-0.6079818	-0.08054932	-0.9913717	0.16913658	-0.2702541	-0.4885646	-0.26165318	-0.43105775	-0.92413527	-0.04126724	0.2668698	-0.11919536	0.15888071	-0.5308609	0.26612905	-0.99910057	-0.93864226	0.16977845	-0.57269764	-0.20919925	0.5331898	0.06866968	-0.012516333	-0.125799	-0.9999022	0.7759716	-0.42589682	-0.98184454	0.004353534	0.36125538	-0.78528035	0.26582065	-0.78474504	-0.76552075	0.34813052	0.28091282	-0.44193867	0.18490553	0.36536628	0.9998163	0.013830129	-0.7632292	0.29649106	-0.4289674	-0.56631	0.20019117	-0.43244714	0.22847976	0.9884593	-0.9998841	-0.96107167	0.32894835	-0.7952708	-0.96384495	-0.6073818	-0.4989746	-0.17350832	-0.45811334	0.31367168	0.5113807	-0.43191174	0.17089522	-0.31677663	-0.7977908	0.70479906	-0.49432468	0.51409525	-0.7611477	0.46211708	-0.06334189	-0.25784525	0.3616067	0.448396	-0.27048224	0.99774987	0.34029198	-0.2462035	0.5218584	-0.16052258	-0.63404334	-0.9895573	-0.3219423	-0.7367617	0.74034315	0.21649747	-1	-0.28880683	-0.95491195	-0.42997935	0.10884226	0.13649584	-0.08834514	0.1802296	-0.9999218	0.15415111	0.3623115	0.40720677	0.15343413	-0.038147405	-0.053041928	0.5756982	0.068312116	-0.9992123	-0.39605284	-0.008132271	0.90497607	0.62356347	0.2130261	-0.052319698	-0.43440634	-0.3589954	-0.8294433	-0.40127957	-0.025089901	0.058886226	0.43964297	0.7527607	-0.25635645	-0.57639945	0.6824989	-0.19514829	0.8133067	-0.7769565	-0.60928065	-0.16558892	-0.78865665	-0.99281037	0.06378431	0.10615084	0.95298404	-0.3068223	0.79541725	0.550222	0.85774875	0.57040125	-0.3176699	0.041359723	0.23397434	0.13128525	-0.85896957	-0.09730933	-0.24505311	-0.3370507	0.1434335	-0.32121557	-0.5677011	0.035522785	-0.1829082	-0.22158127	0.2726267	0.3540289	-0.2550334	-0.030031659	-0.6149337	-0.99945444	-0.015001862	0.31720364	-0.2685189	0.08131084	-0.5361038	0.73377305	0.7454304	0.000926205	-0.4308945	0.12483904	0.28993177	-0.3409785	0.39973778	-0.05559997	-0.8690791	0.18278818	-0.718526	-0.0451122	0.36777624	-0.45684433	-0.66854507	0.434512	-0.61851674	-0.6470344	0.6480949	0.23802984	-0.63066	-0.4257801	-0.2737389	0.66029936	-0.28962225	0.032395292	0.08921029	0.65545934	-0.059613153	-0.062676325	0.2336729	-0.03775499	-0.15223831	0.43974707	0.09228306	0.87128866	-0.8145122	-0.67794377	-0.090890676	-0.053814813	-0.14735009	0.72566557	-0.2881697	-0.1566109	0.18107712	-0.19208126	0.50373554	0.5899396	0.19075565	0.6950807	0.26943567	0.64784175	0.9707079	0.6085927	0.47715464	0.9993275	0.043801334	0.5348711	-0.25530285	0.7028746	0.10484905	0.3248203	-0.3204612	-0.3063529	0.24070519	-0.23782213	0.28101164	0.48840317	-0.25019065	0.43383235	-0.09808736	0.46827784	-0.90457094	-0.79027575	0.08961343	-0.9921469	-0.44640735	-0.004189049	0.038213324	0.6216221	1	-0.7824957	-0.32861266	-0.38058782	-0.24618176	0.38706172	-0.121040255	0.5826275	0.7743957	0.76148874	-0.99990296	0.028945733	0.95418894	0.24051338	-0.36467695	-0.05605229	0.78618693	0.52646905	-0.6586509	0.5711723	-0.6340207	0.107865244	-0.86475664	-0.22637911	0.38738373	-0.03617548	0.12835515	-0.76337045	0.71840566	-0.58092916	0.001304873	0.0722139	-0.351098	0.40181312	0.16466051	0.25388563	-0.64859706	-0.8453726	0.49954057	-0.03661768	-0.37029496	0.12490841	0.31241068	-0.7289884	0.4900158	0.11507242	0.31656912	-0.57383305	0.011567746	0.37639806	-0.58253866	-0.4469526	0.43098098	-0.9973065	0.92675626	-0.67301553	-0.2184933	-0.4227779	-0.118305646	-0.8023029	-0.28537303	0.9987328	-0.68447024	0.042323846	0.061388846	0.10792269	-0.099066235	0.65467155	-0.6518147	-0.32169735	0.31785107	-0.18434545	0.6477981	0.18577705	-0.02489467	0.061678354	0.01082721	-0.8872453	0.56992525	-1	0.72757196	-0.44736722	0.53998476	0.24405535	0.8062686	-0.3649133	-0.16693743	-0.39277083	0.12702282	0.6930278	-0.056548532	-0.6527495	-0.10870022	-0.29882714	0.71259034	0.23812279	-0.5266417	0.5621529	0.6782663	0.75080836	0.41447124	0.30896795	-0.7210167	0.24626909	0.9989982	0.59892327	0.32650366	-0.007454913	-0.105267815	-0.08108115	-0.025558464	0.7545495	-0.32137677	-0.60743296	0.36669025	0.06724639	-0.21597119	0.7195208	0.6159546	0.837552	0.9994222	-0.037464615	-0.9565588	-0.029119277	0.9965811	-0.84730816	0.4585547	-0.99944025	-0.14862023	-0.94830143	-0.057225708	-0.6297962	-0.5076297	-0.49017164	-0.18788807	0.15115844	-0.062715076	0.42447424	-0.5558736	0.086094715	-0.10718484	0.6543099	-0.9973217	1	0.9911929	0.6521587	-0.2387048	0.0380387	0.5168102	0.012096788	-0.27027097	-0.19864416	0.4426459	-0.5304391	0.13950779	-0.14212203	0.55395436	0.49551505	-0.22117065	0.33955783	-0.08206355	0.9971332	-0.86675453	-0.17675067	-0.76387256	-0.032887265	-0.37323356	0.34222743	0.8682401	0.55987775	0.46753344	0.10726812	0.08921231	-0.014386003	-0.29237202	0.9883315	0.3140498	0.77547693	0.11605723	0.6038201	-0.3358626	0.35276172	-0.40571627	-0.06221191	0.4113681	0.5520161	-0.55756104	0.67527425	-0.12230846	-0.46272674	0.42026454	-0.10971998	0.3641398	-0.3721807	-0.17983185	-0.45005843	0.66704655	0.9994734	-0.2227492	-0.86577344	0.22458358	0.29129353	0.09994596	0.99916923	-0.49543282	0.28871244	0.43415615	-0.51798445	-0.2129773	-0.26290223	-0.9979956	-0.6566854	-0.17313832	-0.28671065	-0.45994934	0.10263596
136	0	CCC(NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cccnc12)c1ccccc1	-0.8790445	0.40264586	0.09073764	0.010867838	0.20505	-0.58622503	-0.46594357	0.28813902	0.6329715	-0.20326161	-0.7075561	-0.48368907	0.63230175	-0.20486055	-0.29506123	-0.028453581	-0.5814626	0.23931606	-0.81576324	0.64708555	0.5368734	0.34130445	-0.40595502	0.525525	-0.34720898	0.1987779	0.03188828	-0.23613273	0.35135704	0.29094344	0.0720387	-0.37820125	-0.018436883	-0.45339343	0.34630218	-0.5562079	0.7269195	0.8923339	0.9998324	-0.24945791	-0.8487498	-0.07657918	-0.40116087	-0.4743063	-0.11247183	0.92607343	0.8437922	0.29379806	0.74973255	0.5585703	0.08838092	-0.21415842	-0.21940783	0.11415832	-0.20516536	0.5376307	-0.42699152	-0.9747369	0.37438574	0.20110865	0.25867575	-0.33019793	0.58114964	-0.4715403	-0.7185982	0.70198894	0.35372722	0.72849256	0.128678	-0.30528572	-0.98020047	-0.09896747	0.2617418	-0.68876046	0.24448384	0.022086395	0.06948781	-0.70974535	-0.52690244	-0.99959934	0.60571235	0.29945713	-0.8631959	0.62088615	0.42479655	-0.98433465	-0.474929	0.68410945	0.21375853	-0.06654005	-0.16993043	-0.34298104	0.07382565	-0.44121805	0.9985873	0.10382505	0.79664695	-0.17154333	-0.35437542	-0.1031504	-0.13597742	0.46015868	0.5899048	0.97775126	-0.99985635	-0.3405958	-0.49848434	-0.5328517	-0.9713914	-0.49754986	0.4513156	-0.25139847	-0.5702729	-0.29146025	0.13431661	-0.36734083	-0.14614904	0.21659426	0.12843783	-0.059430663	-0.25371325	-0.20789817	-0.49785128	-0.47082344	-0.62153476	-0.43832955	-0.5096449	-0.33970365	0.7733222	0.99992	0.5267424	0.5161641	0.31018636	-0.026038924	0.046606787	-0.9969082	0.49426633	0.21500394	-0.49696943	0.508195	-0.99999666	0.59521604	-0.3271733	-0.41504157	-0.300413	-0.5015894	0.45387366	-0.2322931	-0.9994648	-0.11062032	-0.41211817	0.9374166	-0.39863968	0.4868794	-0.27135256	-0.2152713	-0.7100738	-0.9950534	-0.7276491	0.42423683	0.75200653	0.4437938	-0.7796261	0.16431396	0.49731624	-0.57134104	0.12530592	-0.14599788	-0.585171	0.46645477	0.73491746	-0.37792176	0.08236377	-0.44859576	0.61104155	-0.7862574	-0.7321682	0.8461999	0.36522213	0.25229245	0.4149231	-0.98053503	0.07531438	-0.36695063	0.44763172	-0.10367004	-0.16809663	-0.8875471	-0.36149907	0.23019071	-0.529531	0.2212598	-0.16624403	-0.35509893	0.58000696	-0.5788043	-0.004681726	-0.6491108	0.7651277	0.3156358	0.07937566	0.16203867	0.6974654	0.25324178	-0.70964813	0.017131263	-0.06318126	-0.060413606	-0.054109704	-0.99989045	0.6835382	-0.18260485	0.3166285	0.046726692	-0.28646624	-0.4547403	-0.39085206	-0.65555686	-0.34869245	-0.3290359	0.7032707	0.4383223	-0.8208042	-0.26447847	-0.9953095	-0.459918	0.11571137	0.7632253	0.30477926	-0.066192605	-0.6409747	-0.5188546	-0.15102644	0.08766666	0.23208661	-0.31534964	0.06933078	-0.58062685	0.16763414	0.2841924	0.007487853	0.5721822	0.6841439	-0.65705866	0.84860456	0.44550207	-0.4108878	-0.17549942	0.14533202	-0.05635716	0.7725587	0.16314854	-0.08731988	0.7308585	-0.16598706	-0.07495405	-0.52335703	0.085916914	0.36363038	0.78729737	-0.31975928	0.5665261	-0.47126746	-0.21339299	0.8425543	0.038703278	-0.89408594	-0.43439534	0.9745427	-0.2183889	-0.2995935	0.97907376	0.09382336	-0.32241416	0.5203121	0.06830104	-0.014453071	-0.073510215	-0.14919809	0.76114786	-0.30855685	0.79777825	-0.2632899	-0.08342602	-0.5484224	0.3977663	0.048186455	0.8959602	-0.9495661	0.2542927	0.057204198	-0.9034883	-0.42025626	-0.22347566	-0.1252898	-0.52363515	0.99999964	-0.9946235	0.080500506	0.25791505	0.5427423	0.4591751	-0.84544647	0.23734207	-0.429261	-0.41837728	-0.999743	0.21956512	0.8503556	-0.005509356	0.11553284	-0.15611085	-0.1836252	-0.72762364	-0.61012495	-0.46271062	0.2925455	-0.30821612	-0.9643463	0.17063293	-0.54144216	0.8855063	0.04221252	-0.9739897	-0.116994634	0.071135335	0.8086188	-0.9749855	0.0567884	0.3895953	-0.09536763	0.3729367	-0.5782352	0.10287194	-0.08256197	0.92106634	0.14794615	-0.06608107	-0.06489811	-0.3078967	-0.33001953	0.50585026	-0.3112626	0.5490517	-0.119038716	-0.04615102	0.51266295	0.33246347	0.2402321	-0.99398047	0.09517508	0.7383151	0.6333581	0.5466858	-0.1752242	0.71188456	0.12790978	0.9998438	0.2806047	-0.68269914	0.44132847	0.2933027	0.3024994	0.16208975	-0.9683858	0.76856035	-0.2770932	-0.67011464	-0.033336755	-0.09942107	-0.69131815	0.10817212	0.11732851	-0.398295	-0.35806808	-0.9999994	-0.6477445	0.14253402	-0.09235106	0.60501236	0.56221306	0.032424744	-0.28649598	-0.84136736	0.6545662	-0.3690196	0.06457155	0.45472512	0.41659206	0.5603429	-0.055718277	-0.054766282	-0.659497	0.10892004	0.5860047	-0.26195717	-0.4485132	-0.7148292	-0.7555708	-0.033811875	0.9540803	0.5482395	0.3595088	-0.5558803	0.6117374	-0.273532	0.41071266	0.9250286	-0.35323858	-0.5021974	0.7430598	-0.09829414	0.6326327	0.6355967	-0.48490247	0.40036237	0.99988544	0.11066398	-0.9826755	0.032321602	0.9977983	-0.20832965	-0.1337396	-0.9993638	-0.1257467	-0.7933236	0.53379893	0.5378662	0.23647301	0.18016656	-0.08286279	-0.8027677	-0.19078067	0.6921413	-0.3477531	-0.72304696	-0.4941232	-0.42108497	-0.99893624	1	0.94607484	0.41241583	0.47086978	-0.787161	-0.1550922	0.2675084	-0.56855965	0.04438613	-0.03244228	0.0415613	-0.8940136	0.3569014	-0.80550873	-0.56243116	-0.23365733	-0.13152197	-0.010333259	0.99590063	-0.99049515	-0.5915665	-0.4577386	-0.38835803	-0.23037595	-0.7421837	-0.689471	0.3120016	-0.11641483	0.12380453	-0.32541817	0.4158705	0.32966608	0.9799572	-0.5028899	0.85749173	0.19122802	0.14237869	-0.4554319	0.035078753	-0.76383054	-0.14080344	0.112200364	-0.5903147	0.5727501	-0.5924368	-0.6520812	-0.23633547	-0.47499067	-0.59837204	-0.16712235	0.7088374	-0.3881358	0.2534227	-0.4239444	0.99984056	-0.61874086	-0.17258245	-0.28261784	0.39263415	-0.2143968	0.9999572	0.7009524	-0.23284067	0.30499104	0.020283235	-0.5787699	-0.11634124	-0.99550897	-0.73637116	0.23939747	0.0933212	0.68128824	-0.044847727
137	1	NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1	-0.8613198	0.011721089	0.43903252	-0.45539108	-0.29550108	-0.0351239	-0.29628932	-0.2996914	0.13696292	-0.3181311	-0.1872236	-0.09493428	0.26246914	-0.712102	-0.00161933	-0.3714534	-0.060026858	0.42389384	-0.39649442	-0.15258789	0.2796476	0.18557706	-0.30303505	0.1383799	-0.6193614	0.24184284	0.016940245	0.079421915	0.11100245	-0.66835064	0.3229093	-0.6483449	0.6232012	-0.5384217	-0.0966817	-0.17505054	-0.71221286	0.679598	0.99959546	-0.38412562	-0.11842771	-0.020330694	-0.38097665	-0.28008747	-0.034278072	0.46387607	-0.029457927	0.32053772	-0.6838867	-0.123901516	0.23837198	0.013945051	0.14865957	-0.05708533	0.3576152	-0.30370384	-0.10891455	-0.8702206	-0.13244645	-0.22614639	0.08902954	-0.55184776	-0.015401158	-0.14655446	0.20117456	-0.16517508	0.2458104	0.22106342	0.601987	-0.4053484	-0.989396	-0.7634437	0.006237537	-0.41923618	0.7999738	-0.31755257	-0.21063359	0.32063678	0.21438159	-0.9957126	-0.1844054	0.23934959	-0.8904125	-0.5701652	-0.5940027	-0.9763665	-0.16706845	-0.80158526	0.060413755	0.2213414	0.14326116	-0.12590565	0.43761066	0.09478194	0.9931851	-0.38099736	0.7227453	0.21696411	0.75946885	0.4188076	-0.36207938	0.69977224	-0.36160204	0.9958662	-0.9992389	-0.17512488	-0.35978597	-0.86905485	-0.95858145	-0.8536163	-0.74942183	0.31219992	-0.26405203	0.72064555	0.3938743	0.30190605	-0.22445773	0.19278769	0.7505957	0.4446986	-0.061331153	0.53345335	-0.085363954	0.21767572	0.3676968	-0.1619626	-0.53527784	-0.20913209	0.6201908	0.9999395	-0.228312	0.59001154	0.3814001	0.13014078	-0.2274768	-0.9699404	0.5377722	0.8312096	-0.49490634	-0.7346866	-0.9999997	0.3316777	0.53746283	-0.6034009	0.64558023	0.34430772	0.6087628	0.59377104	-0.9941483	-0.08686516	-0.56525564	0.504148	0.22440079	0.56607413	-0.21723653	0.07510938	-0.012299922	-0.9310686	0.08974089	-0.23037536	0.1917153	0.63423353	0.6438872	-0.46691152	0.18709859	-0.63999194	-0.19394994	-0.6236639	-0.58516383	0.6844134	-0.20876807	-0.01193055	0.21879204	-0.5225115	-0.14007388	-0.92839813	0.088931486	0.045817994	-0.30386972	-0.114867784	-0.3935937	-0.096220896	-0.6121138	0.20155105	0.45462435	-0.40676355	-0.05113691	-0.46387023	0.38810048	0.64982146	-0.5929771	0.56087756	0.4423287	0.032370128	-0.6682159	-0.19882739	-0.14751822	-0.45743653	0.7384448	0.11438975	0.3068199	-0.5263533	-0.46957314	0.37129882	0.6633979	-0.29952917	0.29409218	-0.8418826	-0.29989436	-0.9999239	0.5476275	-0.7638422	0.79235476	-0.6243428	-0.14704978	0.53217345	0.2856801	-0.4098524	0.70996463	0.34372687	0.4724214	0.2572987	-0.86103237	-0.5954791	0.93185127	0.2397043	-0.100462176	0.5762593	-0.27376255	-0.41281724	-0.69228524	0.598372	0.18012539	0.32737046	0.37858793	-0.19157025	-0.67336094	-0.35018805	-0.09470891	-0.013533942	0.7007109	-0.004996054	0.6538704	-0.003200127	0.5337287	-0.1382261	0.038107254	0.44292635	0.27318922	0.2348752	0.53261226	0.12976076	-0.12081445	0.6621566	-0.26333895	0.8008155	0.7340746	0.034020968	-0.18126811	-0.070369706	0.16608572	0.47989872	-0.3689622	-0.5968642	0.41959268	0.46872577	0.37411487	-0.010443832	-0.43019503	-0.06019549	0.31667295	0.9966745	0.107120745	-0.5857883	-0.34094408	0.7048087	-0.34911907	-0.33373967	-0.46589968	0.37497023	0.4639831	0.9810403	0.2297221	0.10431676	-0.21966243	-0.3544471	0.08518181	0.88138175	-0.13383283	-0.07529118	0.045182567	-0.26318166	0.066892564	-0.55545735	-0.7211925	0.70482564	0.99999976	-0.99361724	0.8034264	0.72262836	-0.24103932	-0.28819564	-0.5705272	0.20031941	-0.48240814	-0.5248739	-0.9990487	-0.2597106	0.9756386	0.7374931	0.11148682	0.5461595	-0.5487643	-0.48037887	0.7862729	0.7087314	0.06506807	-0.001951612	-0.9491751	-0.4385092	0.5127201	0.334441	-0.09883706	-0.3095713	-0.2568996	-0.04757793	0.65395826	-0.81965095	-0.38701028	-0.006551779	-0.46773627	-0.56818724	-0.68274456	0.26734075	0.12585197	0.75540286	0.3026902	-0.45953768	-0.3718414	0.07545981	-0.071552105	0.048714153	0.66771555	0.05730095	-0.24483997	-0.40385723	-0.1808095	0.031205524	-0.3012094	-0.96830106	-0.74200964	0.3238704	-0.7574373	0.12259859	0.13549885	-0.70342976	-0.64785373	0.99977005	-0.17173703	-0.51603365	-0.24965146	0.08321898	0.6870322	0.3791731	-0.89875245	0.60864747	-0.3656352	-0.5392695	0.624733	0.16177782	-0.42237088	0.192059	-0.5067169	-0.132743	-0.5515457	-0.99999976	-0.50299793	0.36218143	0.38238502	-0.08069067	0.6944131	-0.4294001	-0.20768099	0.5667094	-0.49227104	-0.2958707	-0.24992907	0.1853255	0.7787403	-0.8722457	-0.3643625	-0.5966822	-0.43329367	-0.069617905	0.44044533	0.52676886	0.1884457	0.011089282	-0.45516226	-0.7771538	0.81099737	0.5196404	0.004009319	0.40116096	0.8142105	-0.63661397	-0.5458368	-0.49199906	0.45869473	-0.72153187	0.5311604	0.114454105	-0.112129815	0.5722346	-0.39208657	-0.2252165	0.99994856	0.5672499	-0.92677873	-0.08611554	0.99964213	0.010979031	-0.29669747	-0.9994979	-0.35362738	-0.9285044	-0.09694025	0.46702334	0.39707264	0.12991932	-0.27052823	-0.5407493	-0.014751682	0.26399264	0.53321236	-0.62733155	0.63722855	0.60091573	-0.9999255	1	0.90043736	0.45105383	-0.66372484	-0.6270531	-0.035667222	-0.7416765	-0.13084547	0.048249505	-0.4114319	-0.5081387	-0.32280856	-0.369797	-0.22001895	-0.1096556	0.3674212	0.27160695	0.30088204	0.97832346	-0.9987447	0.46120873	-0.10095728	-0.16916732	-0.4249762	0.24786638	-0.92365676	0.45301488	-0.5825023	0.1730933	0.29504696	0.24411008	-0.43301013	0.96130997	0.8022353	0.87114954	0.2728458	0.36479855	-0.000154313	-0.12351313	0.2698845	0.52168685	-0.11969231	-0.6437814	0.51268256	0.89242786	0.6288257	-0.27493978	-0.030620737	-0.16499147	-0.13102363	-0.38200486	0.7297698	0.5022298	-0.41753954	0.999553	0.62798846	-0.21350233	0.5844202	0.31518382	0.50003135	0.9997821	-0.13334124	0.3598656	0.7796993	-0.44423452	-0.30928567	0.12741871	-0.9981357	-0.29033765	0.3878047	-0.07272561	0.30189323	0.12509468
138	0	O=C(O)c1ccccc1-n1cc(C(=O)O)c(=O)c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc21	-0.35979643	-0.6746574	-0.40680552	0.07459511	-0.29408103	-0.014591086	0.23169643	0.044793323	0.48614556	0.42224237	-0.1661787	-0.7600473	0.44145077	-0.55216855	0.3579113	-0.28647226	0.25159726	-0.40381297	-0.04106563	-0.46959913	-0.0643323	-0.22454832	0.21962357	0.52109593	0.42144936	0.5529167	0.31266102	-0.27623755	0.52895224	-0.36019143	-0.66697294	0.45213088	0.009342941	-0.15566605	-0.47889206	-0.1677297	-0.26676753	0.3338909	0.9998863	-0.16498926	0.8870413	-0.15374817	-0.34177575	-0.3084267	-0.1947171	0.9793754	-0.49914107	-0.19882843	-0.5402057	0.27002475	0.076133735	0.7586017	0.15222996	-0.54972655	-0.36876816	0.2504652	-0.7540295	-0.9908919	-0.19797575	-0.36308095	-0.1770134	0.17363755	0.76709014	0.4767863	-0.08242355	0.26206088	-0.2219795	-0.007104791	-0.3244673	0.55510753	-0.9640043	0.39838496	-0.028794471	-0.9670743	0.6580736	-0.2297877	-0.6453668	-0.1896124	0.09971257	-0.99298745	-0.6603747	-0.3788825	-0.9461507	-0.25554022	0.18470658	-0.9677809	-0.015212197	0.56444275	-0.53400815	0.06902595	-0.5330275	0.852332	-0.27147505	0.66392785	0.9970934	-0.20902455	0.17713559	0.350161	-0.66605484	0.08150777	0.1674785	-0.24348544	0.39736184	0.6487725	-0.999919	-0.5027651	0.018250313	0.2871637	-0.99997	0.2326861	-0.8323693	0.03840362	-0.3364729	-0.3417885	-0.02180516	0.43214464	0.4950569	0.2989949	-0.048602577	-0.63097525	-0.28100356	0.600449	-0.8233665	-0.21002325	-0.8347254	-0.48358488	-0.06310143	-0.013654559	0.7802968	0.9999614	0.53242934	0.09204967	0.6616877	-0.052921943	-0.82540375	-0.8305388	0.58016413	0.65124494	-0.5773668	-0.31023982	-0.9999999	0.113552704	-0.5266351	0.45892096	-0.20929453	0.069648884	-0.074458346	0.22447716	-0.99978095	0.2942626	-0.6296261	-0.15856995	-0.5118409	0.47716734	-0.011790333	0.15605429	-0.544718	-0.9986833	-0.9341028	0.06875168	0.8442551	0.06789883	-0.74555	-0.11508887	-0.14927168	0.4994909	-0.011304841	-0.37256166	-0.7288397	0.58247447	-0.5523303	-0.3225127	-0.22892599	0.45918143	0.30104643	-0.16691588	-0.8261557	0.34266123	0.054740373	0.5079628	0.646143	-0.9851908	-0.8584669	-0.00897904	0.93875873	-0.44286647	0.23138	0.08269961	0.22151916	-0.5571005	0.770636	0.17040265	0.1360139	0.030536788	0.07422496	-0.048690036	0.45631373	0.18909664	0.038302604	0.52593225	-0.3454985	0.22885254	-0.32489696	0.3147743	0.65763694	-0.03958811	0.35909662	0.25824386	0.43390107	-0.9998436	-0.32533872	0.6492299	-0.1857037	0.20005423	-0.37403852	0.018130753	0.015374803	0.16721296	0.4528593	-0.57385314	-0.15690129	-0.13383263	-0.72903574	0.5896333	0.99967796	-0.2362613	0.4750818	0.64568555	-0.10846155	-0.43431395	0.02266819	-0.27402082	-0.14932498	-0.58051157	0.3481654	-0.13773036	-0.5890182	0.022884449	-0.49249443	-0.58763885	0.7914956	-0.044798125	0.31333795	-0.6689545	0.46099544	0.13264075	-0.09434223	0.22542721	0.10958238	0.36841303	0.21400715	-0.08642035	-0.68291354	0.42375484	-0.120568216	-0.8736489	-0.45822102	0.5010133	-0.024707621	-0.11393978	-0.71716154	-0.08154191	-0.07356952	-0.2703655	-0.05275433	0.04299516	0.16638324	0.30628422	-0.2667131	0.2541891	0.25472227	0.9991011	0.786733	-0.090413734	0.24545796	0.7669359	-0.22402947	-0.2452204	0.20521416	0.2172304	-0.07527677	0.31835672	0.4289856	-0.20298612	0.36054638	-0.45259717	-0.70795894	-0.07554382	-0.9783787	-0.1765106	0.14268206	-0.9684226	-0.19232456	0.6947488	-0.6103647	0.4405768	0.99999994	-0.986668	-0.14975013	-0.2043718	0.5511398	-0.33136588	-0.77266884	0.43128902	0.3811835	-0.6688416	-0.9998573	-0.04237704	0.34069622	-0.012282927	0.6656055	-0.4060833	0.32844797	0.08128425	-0.7521395	-0.23337469	0.30460972	-0.43997028	0.99978936	0.10741088	0.57428545	0.7280477	0.51935655	-0.80454904	-0.66357976	0.4669309	0.32532567	-0.9458471	-0.025249196	0.19550991	-0.48292992	-0.23747912	0.3791705	-0.6815885	0.7561967	0.825686	0.054448646	0.38388976	-0.123673126	0.701301	0.13142388	0.16455027	-0.14582334	-0.6409707	0.64454675	-0.9424192	0.12890765	0.122294344	-0.20441812	-0.99644697	0.7936842	-0.4667307	-0.04302992	-0.77977735	-0.09344644	-0.41782168	-0.85319203	0.9985827	-0.39757112	0.20938951	0.6813792	-0.5586016	-0.5149043	0.006113851	-0.9621237	-0.053978384	0.18681663	0.52081573	0.4709431	-0.3577832	-0.46958393	0.32677728	0.8609772	-0.7830978	0.48573115	-0.9999998	0.77476853	-0.085177094	0.24259543	0.19637898	-0.12983844	0.14464082	-0.6431527	-0.8271863	0.19026613	0.66745865	0.049781695	-0.39404735	-0.70708126	0.81774306	0.37954327	-0.05758773	-0.84176105	0.39364702	0.3244213	0.052419025	0.11995373	-0.45845026	-0.063872285	-0.06348093	0.9826341	0.018254064	-0.84595793	0.66939956	-0.07394852	-0.16405627	-0.27821574	-0.19842067	0.17393273	-0.19239345	0.5238074	-0.30894524	0.056178913	0.6701228	0.28878695	0.3244605	-0.88090104	0.67056894	-0.9928188	-0.007044682	0.99966866	-0.7943046	-0.24546733	-0.87247735	-0.12734857	-0.2023234	0.49969944	-0.47463736	-0.20313606	-0.22005461	0.64060706	-0.9421135	-0.2256515	0.5195585	0.019883338	0.37948734	0.5675181	-0.5203221	-0.99945635	1	0.94158405	0.07803061	0.14357941	-0.59053665	0.17447689	-0.8824693	-0.5490369	-0.22376086	-0.24977626	0.6573928	-0.94380105	-0.16706894	0.0298939	0.41231623	-0.019975573	0.14383827	-0.113798484	0.9970659	-0.97754973	-0.41227883	0.120810986	-0.310708	-0.22342883	-0.14421411	-0.10587328	0.6937631	0.46662474	-0.19969918	-0.43498275	0.43477553	-0.52499765	0.9906111	0.33596313	0.33265704	0.005420018	-0.68713856	-0.5030618	-0.8535474	-0.005926169	-0.15578397	0.34894302	-0.5598733	-0.9814599	0.5921198	0.06268337	-0.5597509	0.19940275	-0.20826088	0.41505775	0.8389341	-0.27332726	-0.34498814	-0.093489006	0.99978775	-0.13782318	-0.40141565	-0.35452008	-0.09528883	0.5675404	0.99985963	0.5349844	-0.014771866	0.518258	-0.20201777	-0.58095217	-0.2354295	-0.9971699	-0.75210756	0.34267473	0.70774364	0.6694734	0.19661362
139	0	c1cc2c3c(cccc3c1)CC2	-0.77089566	0.33714664	0.27191296	0.21780778	0.30755684	-0.33705503	-0.29055235	0.20431055	0.55372995	-0.19205467	-0.8481376	-0.12976748	0.5613919	-0.24728788	0.05025628	0.6176118	-0.34990472	0.119727135	0.50532025	-0.52526546	0.28470248	-0.8202826	-0.325783	-0.19326606	0.49752465	0.2377584	0.006221999	-0.047635946	0.59473234	-0.44065055	0.14409935	0.6645612	0.10541287	0.6968459	-0.35081193	0.28223112	0.056835644	0.036873102	0.46406877	-0.93293244	-0.9922678	-0.54194313	-0.16699593	0.021448852	0.3092068	-0.9958319	0.13308877	0.28063962	0.9397672	-0.4431347	-0.40480018	-0.4005014	0.5904324	-0.21633878	-0.9728998	-0.199621	-0.49848768	0.9447726	-0.23437285	0.030106902	-0.3477388	-0.72938246	0.66787416	0.5083555	0.37998894	0.3454776	0.4545728	-0.053747572	-0.11620366	0.55100536	0.86744475	-0.86965686	0.1249129	0.01996067	0.24928114	0.058879163	0.006778331	0.12942499	0.54214114	-0.99813974	-0.5102806	0.47922298	-0.62916046	0.2206346	-0.06815763	-0.40573582	-0.005114491	-0.63577837	-0.18570407	0.14588329	0.091513045	-0.5290893	-0.08391528	-0.39598975	-0.29106253	0.6680018	0.7705825	0.11940554	0.5968511	0.5118368	0.40953594	-0.19198184	0.026975768	-0.5606516	0.7726222	0.79280543	-0.2484765	0.2070566	0.96734923	-0.5318875	-0.12839776	0.20556347	0.42735395	0.33852035	-0.22256146	0.43295646	-0.3149646	0.09635676	0.99929553	0.29382578	0.4797236	-0.24946892	-0.22058623	-0.47235307	0.13022387	-0.11500563	0.4642333	0.14584677	-0.061065033	0.9995627	-0.24550681	-0.27706975	0.37420818	-0.22032627	0.42810073	-0.8700411	0.79249454	0.52391773	0.38400164	-0.39918485	-0.99935645	0.15854348	0.997109	0.25885722	0.61555517	0.02885316	0.09844293	-0.32080543	0.9786333	0.2445618	-0.31917912	-0.67062515	0.10218893	-0.02654981	0.052632954	0.09876846	0.12230765	0.9976218	0.48425862	-0.7666601	-0.9934962	-0.052489646	-0.01559299	0.315004	0.66625977	0.31210393	-0.21212445	0.24779776	-0.500041	0.37926218	-0.93102074	-0.5459531	0.4776026	0.04867978	-0.22059357	-0.97572094	0.27112538	-0.22445253	0.37680233	-0.7753729	0.005631437	0.8219413	0.60550326	0.021178061	-0.90857404	-0.47855058	0.47391564	-0.06217961	-0.09567452	0.6421665	0.86455756	-0.054390453	0.08024242	-0.2229186	-0.19412902	0.10226992	-0.21955463	-0.8142735	0.68818194	-0.75036067	0.4559189	0.3043935	-0.17027393	-0.25544107	0.07180861	0.5516375	-0.37777853	-0.6588399	0.19343877	-0.9702524	-0.01926461	-0.27661875	0.035696592	-0.62694836	-0.24782468	-0.40256745	0.61280996	0.06641199	-0.5970204	0.44776788	-0.31062633	0.2814971	-0.56021655	0.3018485	-0.9853535	-0.5092052	-0.33190072	0.03410895	-0.11709234	0.3880036	0.1323025	0.14731184	0.5319746	-0.4686228	-0.2959161	-0.5597385	-0.2337406	0.5264556	-0.6588705	-0.64685196	0.7458219	-0.5048385	0.4100817	-0.78565156	0.25500128	-0.4024264	0.019785281	-0.065294765	-0.20573013	-0.18465923	0.1233762	-0.7243686	-0.52736086	0.5234714	0.2683821	0.26991338	0.4422759	0.46789882	0.011322824	0.000175673	-0.5778989	0.25342107	0.0680633	-0.16455548	-0.10915433	-0.055336345	-0.17089005	-0.27098438	-0.041483294	0.54112816	0.16058229	0.35844386	0.12811367	-0.43753806	-0.26646718	0.83707416	0.2717961	-0.22291493	0.16385522	0.45161003	-0.1137239	0.9997701	0.1105177	0.8465432	0.47970143	-0.014930974	-0.7037335	0.394276	0.98255926	0.15276109	0.40675232	0.999225	0.7067634	0.7060332	-0.43076575	0.08718739	0.99984246	-0.9939637	0.10184425	-0.23812824	-0.4503381	0.2769434	0.444664	0.1184465	0.30625686	-0.9782394	0.9919271	0.09792748	-0.6609893	-0.090523526	-0.32396525	0.47218376	0.41722855	0.23130856	0.94433933	0.13444732	0.00318563	-0.5473892	-0.9997562	-0.30362976	0.37637854	0.124834314	0.4207728	0.4525469	-0.69169277	-0.051070135	0.5520723	-0.88202107	0.018116344	-0.18443683	0.41142386	-0.15281232	0.18844533	-0.6379403	-0.5011659	0.7564663	0.31833783	-0.114601314	-0.17965631	0.17388132	0.57536	0.26573786	0.46052393	-0.21373466	-0.34100875	0.5363859	-0.08241223	-0.2892164	-0.22108689	0.89528304	-0.9978947	0.50555795	-0.37573746	0.416248	0.68181115	0.27730584	-0.059213076	0.9969036	0.22200139	-0.55351555	0.13893756	-0.8223468	0.35324126	-0.3229057	-0.9019124	-0.041508384	0.13394858	0.26002282	0.21775958	0.32227233	-0.22957475	0.083444126	0.6645559	0.95502555	-0.40479353	-0.9922272	0.24013588	-0.46559334	-0.32328346	-0.15071689	-0.9711937	0.64906	-0.61380446	-0.55073154	-0.613343	0.114198074	-0.14953099	-0.17992267	0.34283733	0.19359261	-0.21986893	-0.22608127	0.07814163	0.22994548	0.22598073	0.5790253	0.38299242	0.2800161	0.9274516	-0.16465603	-0.98261887	-0.5862895	0.098025925	-0.33659405	0.018586555	-0.36488482	-0.20964538	-0.64090097	-0.19663607	0.62440836	0.77419823	-0.31345138	-0.079244964	-0.22884224	-0.071389295	-0.003680525	0.999999	0.57750815	-0.9806703	0.067173235	0.99959534	-0.592908	-0.047449954	-0.9998198	-0.06328903	0.76732385	0.6783037	0.18944219	-0.09480695	0.4906427	-0.15789565	-0.3981547	-0.24356855	-0.43171227	-0.07487771	0.24977951	0.12396946	-0.1239135	-0.99998856	0.99999744	-0.99209654	0.08815829	-0.5094666	-0.00222786	0.015241283	-0.3366456	-0.76165175	0.64220196	0.48417714	-0.18068075	-0.9251762	-0.41308036	0.187851	-0.59672314	-0.15889893	-0.019318372	-0.080516346	-0.9785624	-0.9999678	-0.5899403	0.0673918	0.18980072	-0.28911918	-0.361961	-0.99799645	-0.52504176	-0.31170583	0.21775638	0.14176568	0.34977406	-0.19088802	0.95904565	-0.012106773	0.61180335	-0.5595754	0.32945934	0.000201719	-0.67136043	-0.36573622	0.81768364	-0.6593033	-0.53467447	-0.30507	-0.30318844	-0.3986988	0.101447314	-0.037575826	0.44126436	0.68583137	0.21968584	0.3703359	0.07397087	-0.4159786	-0.7159179	-0.2970502	0.4523396	-0.49061966	-0.00844218	0.15731195	0.9916131	0.21328267	-0.6096868	-0.13439322	-0.6289876	0.19579722	0.24243613	0.00927932	-0.48247567	-0.21457927	0.33241218	0.63572407	0.5222159
140	0	COP(=O)(NC(C)=O)SC	0.76132745	0.056340642	-0.8975743	-0.16703978	-0.067669995	0.1964504	-0.9089944	-0.027860984	0.17345461	0.30695325	0.015122389	0.004518865	-0.2636026	0.26015532	-0.2260881	-0.1611025	-0.4258601	0.0000771	-0.48650014	-0.23769394	0.5116897	-0.56004626	-0.3637764	0.49072817	-0.10339112	0.02494892	-0.05791795	-0.28518933	-0.2928163	-0.71282256	-0.41950685	0.18042521	-0.39383492	-0.3325808	-0.003558479	-0.6282557	0.21432565	0.61740685	-0.08610025	-0.64746886	-0.9710716	0.18554372	-0.5657404	0.17364107	0.31916073	-0.9963281	0.47093388	0.6921892	0.997212	0.4212917	-0.09957606	0.26908034	0.07140927	0.4209737	-0.91043633	0.5256549	-0.54358643	0.9445834	0.34767506	-0.22050862	-0.271908	-0.3986088	0.53876185	-0.048938926	-0.5058272	0.5818891	0.5284638	-0.12712328	-0.59377676	-0.22059867	0.60881394	-0.9995838	0.1838803	0.82921666	-0.13619627	-0.6070755	-0.40340406	-0.68192416	0.2355837	-0.9999339	-0.29044688	-0.31444764	0.1278806	-0.1264382	0.15920214	0.9200315	0.036148887	0.05248555	0.19097489	-0.55341303	0.3763072	-0.024401236	0.34322938	-0.5238628	0.9898373	-0.21669583	-0.8305925	0.34482712	-0.08409468	-0.45913407	-0.3852905	-0.24511938	0.49567196	-0.7972098	0.90683055	-0.8658091	0.35951576	0.23797123	-0.8332413	0.07073647	0.42942217	0.18954472	-0.024990933	-0.13427861	-0.16219863	-0.22602853	-0.38528034	-0.20358679	0.9995642	-0.09715555	-0.322434	0.4170223	-0.16244411	-0.28742513	-0.029010667	0.13374817	-0.23551159	-0.11481709	-0.16032611	0.9567283	0.6307857	-0.28875545	0.012768929	-0.02813583	0.007080196	-0.959877	-0.36922064	-0.118025176	-0.5606357	0.44647577	0.99913704	-0.44633985	0.89847344	0.1375746	-0.27252787	-0.27180815	0.033404052	0.2419305	0.98733133	-0.25341636	0.3424504	0.47852662	-0.5517037	-0.2610289	-0.016092254	0.1571404	-0.43511972	0.9991279	-0.5652799	0.1320194	-0.98946536	0.06943212	0.03947187	-0.105360925	-0.10890891	0.21342742	0.2769103	-0.12353586	-0.29255152	0.28478026	-0.6842457	0.33171374	0.11551801	-0.02004807	0.06128433	-0.842718	-0.67367864	0.03815483	-0.31527945	-0.7124761	-0.07638113	-0.9854002	0.002585465	-0.2525862	-0.6918269	-0.04070278	0.16646458	-0.31227633	0.066519044	0.26793197	0.27425218	0.06756491	0.30445385	0.00403856	0.08853169	-0.5098689	-0.46406963	-0.9054521	-0.5430203	-0.40394047	-0.40739897	-0.37318507	-0.37964982	-0.6875375	-0.34739503	0.5470291	0.019974595	0.32480273	0.07544222	-0.9609377	0.19324398	-0.1301469	0.30937418	-0.18612817	-0.21259062	0.17040199	0.029019898	-0.26091945	-0.756473	0.40604985	-0.33191565	0.20381117	0.3488739	0.23614407	-0.9766044	0.1645053	0.16550617	0.4775043	-0.39345014	-0.091984384	-0.5831097	-0.2945093	0.40782496	-0.22586943	-0.5539648	-0.13054767	-0.49706686	-0.034665402	-0.5223255	-0.20016678	0.6377073	-0.22960372	-0.24783304	-0.52126485	-0.40465254	0.5338159	-0.094081424	-0.3664822	0.6791466	-0.50079113	0.822428	-0.9998599	0.06557137	-0.014444545	-0.4052258	-0.0917819	-0.5156338	-0.48801532	0.11407076	-0.42420945	-0.5984206	0.1900583	0.82775736	0.7384338	0.23440371	-0.4528172	-0.001152213	0.7514832	0.7500728	0.52755386	0.2939411	0.76193523	0.000700332	0.5804699	0.1801513	-0.9160508	0.42336378	0.772819	0.56222135	0.64322126	0.09569378	0.9991926	-0.58709925	-0.50678235	-0.70150197	-0.5197449	-0.51843184	-0.8160704	-0.9467653	-0.5586913	0.5281074	0.99970484	0.451213	0.92845196	0.3124954	-0.5529265	-0.99880105	0.072747126	0.6514236	-0.56410915	-0.46054652	0.00982886	-0.14367579	-0.20056213	0.080956064	0.5079637	0.9987836	-0.09526464	-0.2095226	0.45391387	0.20561953	0.52026373	-0.040359247	-0.042634357	-0.50765944	-0.14922315	0.4736014	0.11649924	-0.96809834	0.2604994	0.11755194	-0.07449984	-0.31533736	-0.1735745	0.59446865	-0.33199528	-0.26103196	-0.6319122	-0.09690539	-0.39694482	0.431861	0.055601943	0.22559823	0.3230864	0.1652208	-0.9041447	-0.08543018	-0.055490762	-0.6321813	-0.36169076	0.2796921	-0.09333209	-0.65343755	0.6740922	0.18364932	-0.005297842	-0.06336642	0.6830272	0.3637888	0.91965485	-0.989661	-0.39167625	0.195703	0.542628	-0.36383536	0.43283448	-0.3184827	0.99838626	0.07862372	0.20493956	-0.27723524	-0.5805914	-0.4530669	-0.162868	-0.1473032	-0.5861351	0.37696818	0.2379024	-0.57826126	0.31231022	0.64916617	0.40884757	0.19533645	0.85375524	-0.11787439	1	-0.570619	0.19473282	0.31565276	0.037963063	-0.88274866	0.2420437	-0.18317567	0.13432509	0.45461106	0.367051	0.39266503	-0.2570266	-0.70388484	0.5615211	-0.23418061	-0.07424096	0.4265769	0.15808421	-0.1298855	-0.8239411	0.700863	0.69076854	0.7355016	0.41689104	-0.1053532	-0.284031	0.8291135	-0.43085644	0.44125968	0.44365352	-0.58802205	0.10377068	-0.24697448	-0.71734	-0.6186688	0.2164032	0.74318224	-0.07300577	0.005469189	0.18583912	0.9998996	0.06257345	-0.63432074	-0.28144786	0.998252	0.59429467	0.27322012	-0.9989176	0.06857127	0.31049716	0.55724037	-0.021542706	-0.030614717	-0.35453886	-0.547061	0.9392731	-0.1298417	-0.22855014	-0.6006382	-0.011009934	0.60539865	0.4112625	-0.9999454	-1	-0.99797857	-0.72373	0.045166127	-0.5121165	-0.11095113	0.54127383	-0.86150515	0.6122875	0.5526886	0.33502516	-0.25895694	-0.2400069	0.22323483	0.395488	0.5986578	0.045111526	0.23734564	-0.9958464	-0.9998169	0.017924935	0.11622489	0.4889165	-0.31347954	-0.71324086	-0.2781403	-0.16098933	0.56514657	0.36996657	0.23398198	-0.604769	0.47532064	-0.9269424	0.19160382	0.75248253	-0.25084454	-0.3067367	0.10990386	-0.25954285	0.038580045	0.15028474	-0.46036994	0.92418504	-0.9882783	-0.23298484	-0.181687	0.33450803	-0.66244054	0.10778084	-0.06127116	0.48193854	0.39096144	0.22734798	0.48654124	-0.94388634	0.09360614	0.6801691	-0.55417985	0.11247377	-0.41796148	0.9999296	-0.0750688	-0.08609747	0.41635025	0.40118915	0.31957436	-0.009066966	0.026996419	0.27540058	-0.1385314	-0.6766962	0.46779683	0.41628966
141	0	CC(N)=O	-0.6840366	0.15600902	-0.4417903	0.35933575	0.18069763	-0.041095734	-0.32720473	-0.2122589	-0.25979018	-0.1299159	-0.25868917	-0.7196828	-0.3503698	-0.16729115	0.51391333	0.27699155	-0.3837561	-0.35016486	0.38928157	-0.19151296	0.61381775	-0.81640774	-0.005570074	-0.25902522	-0.023517044	0.34617555	0.2470418	-0.09120765	-0.205934	0.11250249	-0.17609224	0.5998412	0.54125774	-0.3627494	0.10830826	-0.33922786	-0.33040833	0.7864005	-0.9262887	-0.61769164	-0.97505736	-0.25684205	0.148632	-0.36127657	0.21665026	-0.9654612	0.57873607	0.31872132	0.94934845	-0.46007335	0.26461783	0.27081722	-0.51446617	0.4053103	-0.88044405	-0.13149802	-0.1255151	0.89525366	0.048310507	-0.073842466	-0.47164887	-0.2251108	0.3393409	-0.12003252	0.08838144	0.42043322	0.6325241	-0.1498616	-0.23886281	-0.38099787	0.5316506	-0.9985243	-0.21921363	0.7693687	-0.4007551	0.8636232	-0.18545777	-0.42749864	0.43398893	-0.99829453	-0.7279329	-0.45611668	-0.16003202	-0.42303637	0.5312954	0.95426977	0.8058152	-0.38459453	-0.25502223	-0.2089484	0.33046398	-0.23391967	-0.22762768	0.05315819	0.6693088	-0.41972595	-0.9357707	-0.24408779	0.49476904	-0.27396122	0.22055721	-0.39281884	0.435873	-0.91006315	0.9695759	0.3629814	0.23354459	-0.10659046	-0.94684964	0.44301876	-0.27757788	0.22514191	0.46235028	-0.19225933	0.29014632	-0.18733092	-0.119492546	0.078849	0.98430777	0.37653738	0.006769714	0.5834502	-0.37388784	-0.000541596	0.37245175	-0.22175325	-0.7189814	0.11944908	-0.19472855	0.9049925	0.063888215	-0.36280733	0.01358869	0.5451276	0.21888849	0.45495012	0.042864252	-0.32134786	0.106007814	-0.23442839	0.986537	0.1398534	0.831161	0.42176327	-0.48176458	0.3193788	0.34549886	0.084466755	0.98513556	0.06069884	-0.3358158	0.05328427	-0.14513022	-0.3295951	-0.09541044	-0.5768189	-0.32042235	0.98667955	0.6151778	-0.17284285	-0.948038	0.22984487	0.042573307	0.28464755	-0.42182854	-0.11838948	0.5901573	0.654595	-0.5886381	-0.23084892	-0.64318097	0.18084274	-0.080897786	-0.3786686	0.116635464	-0.9172311	-0.55055624	-0.51023394	0.2852922	-0.20542878	0.33539617	-0.9045799	0.30494922	0.15169415	-0.79823613	0.15719321	0.30364504	0.46670997	-0.4483784	0.10381009	0.30338573	0.5053016	-0.24232922	0.43960133	0.512717	-0.16148305	0.07435414	-0.42088342	-0.38757658	-0.34160015	-0.67440313	-0.09948869	-0.56963134	0.010824786	0.115586035	-0.11412311	-0.10766457	0.6177907	0.147507	0.9588194	0.40286142	-0.49046928	0.03826413	-0.5933095	-0.23952566	0.6259349	-0.12408064	0.08866511	0.29642582	0.24848755	0.083873354	-0.22157325	0.36125243	0.05223302	0.9973795	0.087819465	-0.18097012	-0.086717844	-0.22742361	-0.6774933	-0.35493535	-0.54586893	0.14420228	-0.39814898	0.3738206	-0.61917245	-0.31349507	0.49739373	-0.06147489	-0.1313676	0.503188	0.037943345	-0.23131877	-0.24881281	0.43171093	-0.18877533	0.049306072	0.05636365	-0.12508479	0.056028597	0.6703223	-0.99635184	0.04452938	-0.19225135	-0.2581658	0.35569948	-0.50386536	0.126072	-0.11123517	0.10001455	-0.5592008	0.50608236	-0.31482553	-0.1757592	0.36522686	-0.41219103	0.3683643	0.67716897	-0.29046732	0.32920578	0.04747778	-0.96858406	0.017507976	0.28439152	0.53629965	0.70097244	0.12270242	-0.23808986	-0.012615111	0.4534091	-0.08320417	0.99193084	0.29166713	0.37377232	-0.23101263	0.32344937	-0.6293739	-0.87848437	-0.87020016	-0.34826672	0.28512082	0.98511356	-0.083846614	0.6621523	0.15156606	0.013355013	-0.94575983	0.6424417	0.42028832	-0.662305	-0.12695728	-0.053161625	-0.004791193	-0.29471308	0.05214696	0.48225704	0.99699557	-0.10008017	-0.3860506	-0.3756006	-0.49476436	0.27237806	0.28797302	-0.25754106	0.23053674	0.49650502	0.6240066	-0.053130377	-0.7347871	-0.031562787	-0.31884918	0.39017516	0.22965804	-0.057904936	-0.5661771	-0.2689584	0.41571808	-0.66883147	0.06836899	-0.52218086	0.40814576	0.15019496	0.55352753	0.53036004	0.17745227	-0.6600058	-0.33732522	-0.17205948	-0.7738509	-0.45604363	0.42377615	-0.28374767	0.05076065	0.54438686	0.10779216	0.41981795	0.1216662	0.3357068	0.7529573	0.9171106	-0.9486776	0.40782145	-0.04323619	-0.029136442	-0.18348324	0.17346588	0.13048401	-0.9596903	-0.056732036	-0.3561331	-0.44364384	0.010578763	0.054173984	-0.09002392	0.19495124	0.61904156	0.21788333	-0.74113834	-0.069769755	-0.14983653	0.32109687	0.005082489	-0.15948538	0.8988732	-0.15702316	1	-0.03876328	0.24270828	0.3404284	-0.74645984	-0.8334976	-0.17136373	0.27775687	-0.19612376	0.5185364	0.09647991	-0.24874368	0.13013272	0.27428406	0.1571589	-0.24568236	-0.6432738	0.34615844	-0.053726938	-0.5511228	0.009694756	0.15187025	0.8538312	0.7178184	0.7759177	-0.6111839	0.3253968	-0.40176654	-0.72354907	-0.19018094	-0.15375537	-0.5165624	0.47269413	-0.48592454	-0.65945375	0.6919068	0.563997	-0.08015972	0.48797905	-0.010784303	-0.16880539	0.9989235	0.36940092	-0.26563904	-0.084687024	0.24294646	0.13144629	-0.10981372	-0.99029684	-0.013608377	0.5943595	0.3797937	0.422238	-0.60874873	0.0615705	-0.3119754	0.9371395	-0.07005152	-0.30858123	-0.38364807	0.14956881	-0.33770952	-0.1078395	-0.9993396	-0.9999779	-0.96691114	-0.51961845	0.03139159	0.18049206	-0.43002072	0.0749765	-0.43973356	0.13698697	0.5596647	-0.31944895	0.02030286	-0.26239827	0.3988996	0.03485914	-0.45942095	0.13211833	-0.37823802	-0.9680388	-0.9991852	-0.44728413	-0.4532472	0.53751117	-0.2699113	0.18787163	-0.38165563	-0.48582122	0.5465978	0.25813904	-0.20540372	0.22481099	0.4334724	-0.8666043	0.36920783	0.9441166	0.12418631	-0.010176803	0.031798083	-0.3166665	0.060611065	0.41864964	-0.19248442	0.90897024	-0.57886404	-0.010183427	-0.49433908	0.5854026	-0.33890003	0.115369976	0.18969274	-0.013680221	0.46931908	-0.11639255	0.025927056	-0.9844663	0.39138782	0.3026206	0.4172904	-0.12331593	0.08862059	0.9854971	-0.31514034	0.002587093	0.23480201	0.55730456	0.49982646	0.035863403	0.9612825	-0.016721373	-0.5186862	-0.38011256	0.8233416	0.20390376
142	0	CC(=O)Nc1ccc(O)cc1	-0.79191107	0.033820678	-0.2649224	0.38791814	0.12829392	-0.13867909	-0.65906847	0.040588286	-0.023803772	0.2652329	-0.45823815	-0.5620772	-0.17722008	-0.59856147	0.29800048	0.630958	-0.006597322	-0.44841266	0.3543463	0.024184436	0.45476854	-0.8991105	0.29208794	0.20400092	-0.021159893	0.5156067	0.17603187	-0.049859002	0.06467832	-0.2777553	-0.21293136	0.34316626	0.17111002	-0.056290813	0.012591887	-0.20756735	0.09758859	0.58121884	-0.23775786	-0.9298767	-0.9973167	-0.40195027	-0.16754703	-0.21180479	0.41113597	-0.99681634	0.4284062	-0.113051295	0.95143664	-0.3540578	0.18620357	-0.017584132	-0.14090012	0.22999609	-0.8856459	0.36073476	-0.4250461	0.96483564	0.37809417	0.23588523	-0.4579106	-0.35458103	0.50375277	-0.42442772	0.15845849	0.26144588	0.5748261	0.56211257	-0.15916629	0.3151177	0.12794869	-0.99835575	0.053227194	0.2706742	0.53608143	0.6246557	-0.16224071	-0.24569014	0.107883304	-0.9988742	-0.8947039	-0.2424921	-0.7872285	-0.27069804	0.3260708	0.6903176	0.1424046	-0.27876964	-0.17447476	-0.5717974	-0.004693775	0.19970533	-0.33452606	-0.123265326	0.9360013	-0.35284054	-0.5669035	0.17289628	0.18675081	-0.3695865	0.13769287	-0.26153472	-0.02373418	-0.042357944	0.9491314	-0.06380773	0.06906975	0.466365	-0.9996036	-0.07288796	-0.123350225	-0.1867701	-0.1194324	-0.20316023	0.02286914	0.24573463	-0.0765974	0.45163992	0.99929804	0.15297148	-0.3200382	-0.015175085	-0.40943864	-0.34766892	-0.55976725	-0.07831319	-0.28460643	-0.3128696	-0.4545691	0.9951246	0.3503832	0.017130962	-0.116470784	0.006685603	-0.16720328	-0.11598279	0.38636214	0.5039421	-0.6860428	0.4331926	-0.993897	0.2362961	0.9717896	0.3145911	0.16233073	0.011752779	0.050362416	-0.2177556	0.9948816	-0.007194905	-0.18183275	0.65788096	0.26282585	-0.04902461	-0.27474332	-0.16408107	-0.10927432	0.9992135	-0.17341349	0.5358863	-0.99378276	-0.057390187	-0.076283514	0.20696613	-0.43535632	0.28293598	0.5479665	0.20679417	-0.5259595	-0.16792701	-0.5985486	-0.040204417	0.6595956	-0.06229871	-0.28171465	-0.97213876	-0.8103746	-0.04825446	-0.6152508	-0.39304346	0.2170366	-0.7135639	0.22378694	0.25827968	-0.9095079	-0.023403278	0.44414422	0.25026417	-0.27770308	-0.110361055	0.5949851	0.21508522	0.11446935	0.28256774	0.27925965	-0.42507696	-0.04179024	-0.5603265	0.07833461	-0.15980376	-0.38713998	-0.032648	-0.60560215	-0.055938154	0.30695271	-0.23244584	0.37891632	0.26601604	0.04202248	-0.8262287	0.08268548	-0.2346552	0.35384768	-0.6449887	0.17850554	-0.016802406	-0.005702483	0.021721072	-0.28551355	0.29276806	0.16031855	0.041243024	0.052519653	-0.306392	0.9987523	0.0888435	0.12673318	0.5026048	-0.14259487	-0.22782007	-0.3455777	-0.5713156	0.5363985	-0.42067325	0.06326517	-0.1095196	-0.36364457	0.31128597	0.14013036	0.2939408	0.83939105	0.22114326	-0.19051297	-0.4681682	0.38586095	0.11164064	0.18699202	0.585943	0.1078993	-0.048640665	0.44669417	-0.9975262	-0.07334383	0.25125977	0.16141951	0.013624651	-0.6975817	0.2921868	0.39121485	0.16870552	-0.49686098	0.37681314	-0.1573372	-0.061184127	0.778216	-0.39117095	0.53779703	0.6117815	-0.54570985	0.33091474	-0.20813312	-0.8960696	0.38449386	-0.014388221	-0.123854935	-0.2097473	0.5166898	0.7181847	0.06247835	0.5042946	0.02787661	0.99958503	-0.12736656	0.21714802	0.14289322	-0.22065015	-0.16765568	-0.94560915	-0.9348907	0.44611976	0.47565028	0.99964136	-0.16689281	0.6571864	0.20096214	0.3941933	0.99790186	-0.65587354	0.3723516	-0.19113965	-0.053633362	-0.011088016	-0.23903823	0.006700042	0.13475347	-0.22512215	0.9979284	0.044872534	0.018454421	-0.24134028	-0.16549182	0.19533506	0.21147044	-0.3661877	0.5969266	-0.15128171	0.20620964	-0.24527095	0.9279688	-0.20687671	-0.18987904	0.086447515	0.43798172	-0.5068071	-0.2856895	-0.09057996	0.051418945	-0.9075468	0.3132927	0.02089082	0.10661659	-0.27155605	-0.039497085	-0.13039847	0.34765786	-0.69484687	0.100508496	-0.017037686	-0.36590216	-0.38886416	0.57633275	-0.03260951	-0.22358039	0.8171307	0.06125716	0.5048062	-0.19385798	-0.17937115	0.097542144	0.9366556	-0.9964007	-0.30240232	-0.51866084	-0.374368	-0.3039801	0.10366335	0.4686283	0.9935727	0.18111168	0.007257719	-0.20450433	0.4539173	0.13405761	0.24940851	-0.5592051	-0.088744484	0.3457529	-0.5834551	-0.13951169	0.4238382	0.31971952	0.05440691	0.22388059	0.95685166	0.46093404	1	0.23138687	-0.14111392	-0.26890016	-0.65314424	-0.8610771	-0.51062536	0.083634906	-0.40048134	0.40663993	-0.13190578	0.49748945	0.32631227	0.2991281	0.6468789	-0.5488976	0.29186925	0.051497094	-0.06971909	-0.13699557	-0.24485624	0.14297779	0.62815076	0.53730375	0.5928096	-0.69010067	0.2967308	-0.070376106	-0.15216969	-0.46686497	-0.33072954	-0.5083581	-0.24371782	-0.2919957	-0.355724	0.4166943	0.5147228	-0.077997044	0.28255466	0.37549296	-0.19971144	0.95063066	0.45310235	-0.9862461	0.050894804	0.99906284	-0.24301355	-0.12908728	-0.94783074	-0.013102273	0.5623682	0.32019737	0.33251363	-0.75485396	0.5177279	0.24909565	0.7717665	0.23555136	-0.39175949	-0.38666463	0.2722871	0.28564662	-0.052634858	-0.9999505	-0.99955577	-0.9937818	-0.27885208	0.22093561	0.42491153	-0.61004055	-0.21070229	-0.7345305	0.030019866	-0.20939232	-0.5157194	-0.6723872	-0.37129745	0.3709474	-0.43020773	0.59277606	-0.031634208	-0.1284501	-0.99261105	-0.9999385	-0.48620307	-0.6668539	0.29052672	0.012374767	0.018052269	-0.93334687	0.021533228	-0.5026553	0.30457246	-0.3550237	-0.053202853	-0.09364573	0.9088959	-0.38805753	0.9085779	0.24934606	0.39646503	-0.07553713	-0.831789	-0.21919551	-0.2601582	-0.5255618	0.5340335	-0.24990141	-0.45650762	-0.42223385	-0.28130195	-0.23143888	-0.6853707	0.4262974	0.43929926	-0.18813777	-0.3087486	0.27730694	-0.9144011	0.07241508	-0.110371195	-0.21995771	-0.17773293	0.30414993	0.9998864	0.059207022	0.40490967	-0.22063935	0.5550508	0.29760614	-0.10976757	0.5767337	0.26497972	-0.360451	-0.42995957	0.69497067	0.30538303
143	0	CC(=NC#N)N(C)Cc1ccc(Cl)nc1	-0.600803	0.082700565	0.07239759	-0.062192637	0.59276044	-0.7117398	-0.04951242	-0.18342091	-0.5136184	-0.2824401	-0.18777366	-0.26597583	-0.22380225	-0.2883148	0.28351748	-0.049527727	-0.37516537	-0.46075726	-0.4104953	0.79124993	0.34895658	-0.17366844	-0.040426493	0.16351886	-0.6958935	0.17208597	0.40766025	0.2375275	-0.4253569	0.5639597	-0.18188463	-0.22926211	0.65695405	0.08526507	-0.5907158	0.10269361	0.15578799	0.30003193	0.8748043	-0.76041424	-0.8431812	-0.3787335	-0.41249183	0.29988855	-0.23279987	-0.97493684	0.6464759	0.20914792	0.8249164	-0.29672784	0.115401275	-0.1826178	-0.10989647	0.002747227	-0.45779297	0.10674887	-0.37063518	0.8804872	0.10821649	-0.12231964	-0.1833435	-0.14289397	-0.34866408	-0.8133228	-0.3047496	-0.70074975	-0.26126328	0.47945806	-0.38230497	0.27764407	-0.8136017	-0.99725294	-0.23860419	0.19568403	0.26386893	0.33102554	-0.004179451	-0.3994397	-0.37785578	-0.9998491	0.31955403	-0.7228717	-0.8859851	0.4100681	-0.16214268	0.37416115	0.35467225	0.09308799	-0.21806045	-0.69682115	0.77325004	-0.06436023	0.51665306	0.08239233	0.99819374	0.8385168	-0.58100533	0.41656178	-0.40609545	0.53367114	0.114683524	-0.43395382	0.17130475	0.7853691	0.07585029	-0.66915226	-0.24242605	-0.5694095	0.9732642	-0.31362006	-0.19447182	-0.25867105	-0.46570924	0.878006	0.20206217	-0.56394345	-0.6492524	0.017191973	0.9989924	-0.55963635	-0.61289096	0.12211722	0.52755326	-0.3171039	-0.48497513	-0.5288632	0.004776054	0.048509605	0.28492716	0.9922155	0.51708376	-0.7543118	-0.40444285	0.6308222	0.3542249	-0.970505	-0.1950579	0.029904036	-0.39761215	-0.8871223	-0.99534905	0.42891553	0.9227628	-0.3114213	-0.002058719	0.42024988	0.1965385	-0.51469564	0.8381424	0.45948574	0.39388508	-0.20940307	0.303239	0.6528944	-0.15878782	0.6362777	0.5445228	0.9951064	0.036679458	-0.9614236	-0.9803849	0.32913744	0.09346817	0.42485267	-0.37660483	0.17884277	0.51416427	-0.4166116	-0.47895983	-0.40980008	0.53768295	-0.2575212	0.59621876	0.49513364	0.5282495	-0.6570864	-0.28754684	-0.005219034	0.08656728	-0.35796568	0.058456	-0.83919674	-0.15754828	-0.3097425	-0.51718426	0.03354851	0.16050468	0.087568946	-0.2615631	-0.5450728	0.07139874	0.40535814	-0.13015068	0.08433547	0.5169479	-0.16979377	-0.3184138	-0.40290883	0.23597527	0.119347505	-0.3198361	0.07276866	-0.3874789	-0.1776854	-0.15330964	0.107705586	-0.25737545	-0.36041117	0.4595228	-0.99665415	0.37526634	-0.29867548	-0.08515829	0.42774275	0.30350947	0.36447707	0.17764607	-0.13600259	-0.72898173	0.18824661	0.25540614	-0.5557866	-0.51505184	0.39207116	-0.9677424	0.30257025	0.7852958	0.14482978	0.011503212	0.5981136	-0.088214226	-0.25701627	-0.7577879	-0.49986443	-0.29028234	-0.6927733	0.25219628	0.58633775	0.50788933	0.28925568	0.77374303	0.2230331	-0.02825352	-0.499556	-0.066889234	0.48276687	0.14251207	0.18559012	-0.17828171	-0.2326915	0.5113172	-0.9980183	0.24298126	0.5042469	0.003798306	-0.16450922	-0.12678996	0.004162895	-0.72143924	-0.55283636	0.5192363	-0.39629552	-0.56102186	0.4128204	0.89136714	0.5592289	-0.029651133	-0.02032985	0.917707	0.1277381	0.47298756	0.9984136	-0.02744592	-0.15845153	0.47973943	0.08146246	0.056796636	-0.8341478	-0.7752563	0.112898245	0.403166	0.9994777	-0.46250507	0.09602285	0.64993906	0.655952	0.3600163	0.6281154	0.8228034	0.020551195	-0.688429	0.9989379	-0.15472956	0.39662945	0.021740522	-0.80170566	0.99568176	-0.69607574	0.8307618	0.50120443	0.52398974	-0.35877275	-0.20874348	-0.45442766	0.7095399	0.5499892	0.9094155	0.67558396	0.5904331	-0.28507158	-0.2058938	-0.22532646	-0.03023081	-0.24584575	0.56969607	-0.123393685	-0.62826914	0.6689439	-0.9999566	-0.44078684	-0.77786803	0.108725406	-0.04518016	-0.00268371	-0.015553969	-0.10088248	0.44213367	-0.21018156	-0.073036656	0.16874163	-0.11464071	0.006950563	-0.1513514	-0.50744146	0.25858504	-0.78012484	-0.36373845	0.051215358	-0.5038947	-0.7413812	-0.25701013	-0.5435319	0.086674705	0.6548273	0.41981763	0.36176988	0.058377273	0.05799409	0.07091368	0.75039166	-0.9929777	-0.002097559	0.6123083	0.20260155	-0.73554504	0.32555193	-0.0000121	0.99972504	-0.34882447	0.25325096	-0.057540484	0.3262393	-0.62546307	0.39190993	-0.5655522	-0.1650093	0.37190345	-0.24608	-0.039406974	0.48312944	-0.31647056	0.59542185	-0.3756762	0.27471256	0.4554711	1	-0.5057638	0.06117743	0.45677847	0.020453835	-0.6349672	0.5996422	-0.37165388	0.1825607	0.38757625	0.2892202	-0.53867	0.60638267	0.16321781	0.028674792	0.3292568	-0.44819877	0.22944999	0.104558565	0.5651475	-0.755127	-0.09035684	0.3613952	0.4654004	0.07085539	-0.046347454	0.1976882	0.5242301	-0.009479278	0.20441185	-0.06614476	-0.123699926	0.19025487	0.07610155	-0.124180645	0.7504275	-0.02860313	0.6934686	0.18398501	-0.00771636	0.45874846	0.99999976	0.45593515	-0.9777671	0.55836993	0.9991922	-0.14746313	-0.037584197	-0.99993277	0.28179774	-0.1266793	-0.52622676	-0.046031088	-0.35630816	-0.15505727	-0.43979585	0.67063946	-0.5613087	-0.29404804	-0.63235706	0.15793943	0.051208362	0.72279423	-0.9999694	-0.99865866	-0.96715885	0.28553665	0.5626779	-0.09286422	-0.2375776	0.4224295	-0.4456861	-0.108242795	0.44602317	-0.007746701	-0.3875574	0.40526816	0.016605452	0.12125711	0.36785138	0.14492479	-0.12523296	-0.9210817	-0.9999132	0.6342079	-0.25120693	-0.33468577	-0.003101134	0.5416413	-0.7012838	-0.15804775	0.081558816	-0.17405446	0.20177886	0.5296293	0.5316465	0.8784249	-0.56244546	0.8316067	0.17268004	0.34389317	-0.035825334	0.28227198	-0.700548	-0.6649006	-0.43805888	0.4221583	-0.8733224	-0.49163407	0.031103462	0.074408084	-0.1267576	0.2813629	-0.08360253	0.5195159	0.58154726	0.071658954	0.16363284	0.3373235	-0.48964086	0.4249024	-0.25599304	0.12293522	0.3161066	0.99985415	0.3427586	0.528655	0.30828795	0.24555963	0.16923405	-0.18692106	-0.84796757	0.6306375	-0.41661388	-0.169617	-0.20943415	0.117321625
144	1	CC(=O)O	-0.5087444	0.1991948	-0.901311	0.42439508	-0.002416998	0.14001298	-0.22956517	-0.19815794	-0.05068594	0.24172407	0.07016626	-0.48699087	-0.57582664	-0.2542385	0.23079138	0.2205843	-0.2828166	-0.2847368	0.40956298	-0.1471794	0.4791067	-0.7805822	0.25677484	-0.4347974	0.029783094	0.13660058	0.16039781	-0.37497807	-0.10210202	-0.055824574	-0.14190209	0.63001585	0.6249413	-0.171975	0.32970047	-0.269762	-0.39884844	0.6667969	-0.91784257	-0.5092791	-0.967899	-0.67631334	0.14583471	-0.2700884	-0.23059532	-0.94418794	0.24138077	0.21603829	0.9757239	-0.3803807	0.18144667	0.42019185	-0.25043327	0.47581825	-0.84419626	-0.039639164	-0.0484736	0.8487387	0.06418753	0.02717771	-0.59081006	-0.23009007	0.6639415	-0.000289076	0.24132092	0.106752306	0.5556889	0.148085	-0.36983508	0.085335076	0.7106847	-0.9945251	-0.37877476	0.76188153	-0.13276194	0.8226834	-0.14137185	-0.049139928	0.35709548	-0.9991193	-0.48461613	-0.53945506	-0.026292657	-0.49972704	0.51243615	0.9301044	0.7885962	-0.32631055	0.006437712	-0.36597493	0.38415164	0.18041117	-0.21055305	0.08422674	0.8263093	-0.45180216	-0.8864714	-0.14860675	0.22069034	-0.3761194	0.3618028	-0.3559449	0.16084737	-0.91662604	0.9546097	0.28466174	0.4421842	0.06356323	-0.8621193	0.4950745	-0.07539212	-0.17210388	0.4046185	-0.34578305	0.31926477	0.35470814	0.008604425	0.13374165	0.9779849	0.2383166	0.17533568	0.31105027	-0.55719465	-0.09591188	0.146791	-0.30540204	-0.4306006	0.34024373	0.024301184	0.9424507	0.13234922	-0.55260485	0.03018989	0.43930873	-0.01955435	0.4422207	0.15973035	-0.47025502	0.09420057	-0.25627834	0.9900646	0.21672179	0.6997046	0.36989585	-0.15374872	0.22786202	0.42462814	0.3702934	0.9751258	0.43469003	-0.5274125	-0.514938	0.08803895	-0.28317922	-0.17473042	-0.62194365	0.20754682	0.9791397	0.4459014	-0.82844466	-0.9296085	0.29556802	0.29437914	0.016765648	-0.45409474	-0.26808715	0.6083306	0.6056803	-0.5891807	-0.11292751	-0.7746651	0.22877565	0.28178647	-0.23178896	0.35657927	-0.9321607	-0.525032	-0.5178489	-0.01814615	-0.17548926	0.03919131	-0.9110801	-0.013902254	-0.12560043	-0.72698325	-0.045534633	0.039466802	0.57451296	-0.372758	0.4301711	0.12394345	0.73693705	0.24000211	0.3105458	0.4536248	-0.45516515	-0.067676105	-0.5139247	-0.41903785	-0.20740578	-0.35404733	-0.28465155	-0.41991106	0.07303683	0.22051099	0.06983614	0.031957835	0.512861	-0.2903026	0.9466739	0.19132182	-0.37171036	0.024234613	-0.5380994	0.07190023	0.28267545	-0.13421968	0.20444867	0.45060217	0.17586929	-0.07665775	0.059712972	0.41339576	0.081096984	0.98508054	0.20782718	-0.19035532	0.11162632	-0.37374723	-0.6194915	-0.37863362	-0.6199106	0.48938227	-0.35873002	0.31955203	-0.61100173	-0.1936692	0.41962415	0.19361815	-0.10858485	0.68335414	-0.12525637	-0.28665835	-0.29239812	0.41599005	-0.28089988	-0.008317875	0.29319605	-0.4811308	0.10950643	0.6121997	-0.99591756	-0.17017025	-0.28995955	-0.10485489	0.022012206	-0.43301657	-0.07141465	0.007967825	0.27241647	-0.30659208	0.48804823	0.3772029	0.031194387	0.25323784	-0.31441274	0.26010367	0.4398378	0.70746034	0.15722056	0.09939749	-0.9759954	0.006795189	-0.13687514	0.46535468	0.33836454	-0.029556565	-0.38540003	0.061646596	0.57869285	-0.31565124	0.9879787	0.1109945	0.41255063	0.01600854	0.33062497	-0.57806844	-0.8571297	-0.4062467	-0.07989773	0.11816615	0.9794515	-0.10786015	0.61050206	0.3161077	0.30452418	-0.91858304	0.49122134	0.32972378	-0.37951788	0.10054315	0.031280417	-0.11684261	-0.13530546	-0.11191868	0.09969065	0.9948576	0.06552218	-0.2256498	-0.31154174	-0.5332745	0.09736672	0.4027667	-0.02578857	-0.040567804	-0.07472726	0.5388852	-0.32237086	-0.8477807	-0.03621637	-0.57846284	0.17680413	0.07533298	-0.116657235	-0.45926413	-0.20443767	0.38531137	-0.73430485	-0.089362524	-0.08198551	0.45546296	-0.023524003	0.50843406	0.37533826	0.34316745	-0.48483875	0.06868965	-0.18082908	-0.6742647	-0.30265403	0.7599209	-0.3134397	0.14504258	0.52079153	0.23055285	0.5793002	0.22515658	0.37260967	0.7181704	0.9205849	-0.91274494	0.25896	-0.3031486	-0.06445323	-0.1483932	-0.2806631	0.12962069	-0.95979303	-0.19646679	-0.012190681	-0.37323692	0.3653186	-0.08511112	-0.27061132	0.095239304	0.6455925	0.26846156	-0.67857856	0.24415208	-0.17346942	0.33814853	0.06841532	0.11245008	0.8958498	0.1536687	1	0.24796586	-0.047199555	0.08694735	-0.7251955	-0.8488769	-0.39182833	0.36671004	0.07025241	0.2695267	0.1254234	0.12481691	0.1666264	0.1631731	0.009315551	-0.24527186	-0.5959748	-0.3825041	-0.2749362	-0.4056109	-0.009046128	0.4038904	0.77794707	0.63961357	0.8236639	-0.49010625	0.44234714	-0.20862758	-0.66788274	-0.14656033	0.08325151	-0.35341448	0.6301196	-0.5991649	-0.44256964	0.37075427	0.37828648	0.04955465	0.5388175	0.5232877	-0.19449557	0.9989174	0.3674819	-0.055009954	-0.35152292	-0.30505225	0.1025049	-0.001303029	-0.98488873	-0.04109569	0.63530433	0.2801012	0.4977698	-0.4824097	-0.002871888	-0.045319825	0.91018206	-0.26054436	-0.3350307	-0.32547075	-0.06881463	-0.2391681	0.004675609	-0.9991277	-0.99994785	-0.9653347	-0.68089706	0.11737461	0.44488174	0.005120206	0.18373701	-0.3513649	0.14087921	0.50618166	-0.48970476	-0.029652292	-0.1330431	0.5004197	0.31552342	-0.077403165	-0.15499052	-0.18379031	-0.96159726	-0.9986148	-0.40678823	-0.56983966	0.4617653	0.004818134	0.18165508	-0.48507485	-0.47985965	-0.15958406	0.30512437	-0.19728044	-0.33759934	0.27909213	-0.88324916	0.21851349	0.8738381	0.35714406	-0.42000335	-0.087112725	-0.46080828	0.17834336	0.038680647	-0.1591643	0.8715262	-0.69219166	-0.36898568	-0.5957421	0.71215445	-0.17326038	0.1223807	-0.012122068	0.06315404	0.35852292	-0.18754949	0.3139931	-0.97731024	0.21942785	0.32280913	0.29393223	0.3612821	0.100949176	0.8473334	-0.16414833	-0.053835522	-0.1990283	0.36097783	0.183926	0.25224382	0.94668573	-0.3142245	-0.32595837	-0.28643337	0.8407733	0.17173937
145	1	CCOCN(C(=O)CCl)c1c(C)cccc1CC	-0.8438642	0.08494755	0.09611071	-0.5249675	0.5498055	0.66824615	0.06535262	-0.037665255	0.1059342	0.21071818	-0.60092336	-0.03716665	0.23449092	-0.0472824	0.37177038	-0.48725492	0.33317804	0.10175576	0.8156163	0.13267305	0.1550972	-0.26689252	-0.3617917	0.43550813	0.35244185	0.026497753	0.3178839	0.116732635	-0.2015707	0.014827805	0.1526431	-0.5642902	-0.61980766	-0.48459858	-0.47834718	-0.14015889	0.5398597	0.32645273	0.97927016	-0.6832287	-0.9550963	-0.17269655	-0.30942735	0.32882744	-0.18487854	-0.96537364	-0.32263216	0.44913802	0.9910732	0.6083926	-0.34619457	-0.6649544	0.02853986	-0.056047786	-0.84782284	0.23763931	-0.16649564	0.6065746	-0.1524229	-0.06226217	0.296184	0.67348796	0.09828785	-0.03366742	-0.5558496	0.52991134	-0.38060135	-0.2628605	0.36963442	-0.402274	-0.6459889	-0.9593977	0.54811776	0.010738742	0.8018875	-0.37299463	0.040075332	-0.2169261	-0.36722916	-0.9995042	0.09887116	-0.0800953	-0.9094785	0.10956107	0.22830893	-0.43414524	0.7014208	-0.26087594	-0.17573212	0.5102146	0.27249902	-0.19852053	-0.17209418	0.13640837	0.9836311	0.13145657	0.36066124	0.2723629	0.7253322	0.041510474	-0.71918035	0.19874495	-0.5870606	-0.35803843	-0.61241674	-0.0654944	0.17663768	-0.11663857	0.9656765	-0.575426	0.31937617	0.6398911	-0.30119947	0.27728048	-0.56050074	0.5915622	-0.075698115	0.5965776	0.99863786	-0.59589624	-0.005640845	-0.100247435	0.32419658	-0.52231604	0.17005815	0.43975887	0.5920592	-0.2809202	-0.22475673	0.9995228	0.51883656	0.40269828	0.13583589	-0.35784537	0.30359435	-0.9797051	0.7449221	-0.24937698	-0.71783894	-0.9019979	-0.9973643	0.15659416	0.9789105	-0.1929562	-0.1777478	0.2456095	0.077527925	-0.22637936	0.48610923	0.30309695	-0.37243024	-0.3704359	0.356163	0.084438056	-0.24888901	0.44817153	-0.14254297	0.9645973	-0.8285276	-0.95410293	-0.9557752	0.17021525	-0.35416418	0.056561362	0.28400046	0.7960375	0.39049822	-0.19613503	-0.4130271	0.63005227	-0.1506987	-0.3129698	-0.4903084	0.24535778	-0.5477341	-0.90624624	-0.5641976	0.2531581	0.23110169	0.21878979	0.5635481	-0.3955027	-0.4424516	-0.6852604	-0.2218816	-0.6656447	-0.8211839	0.023956288	0.18099208	-0.6310987	-0.33266255	-0.79427165	0.68028724	0.5551411	-0.57187545	0.20847128	-0.36395052	-0.8135928	0.22666207	0.13378122	0.53200996	0.10917947	0.112636834	-0.82452047	0.31369802	0.2375947	-0.38090682	-0.16850552	-0.2619704	-0.9994209	-0.44388124	-0.48423055	0.3144124	-0.15355264	-0.005782249	-0.45933327	-0.3779077	-0.71439254	-0.17553727	-0.3169302	0.3780192	-0.023609452	-0.6725191	0.19379556	-0.9908069	-0.39698014	0.23685664	-0.1753405	-0.1450356	0.11176157	0.41423017	0.30830976	0.40344322	-0.5582699	0.23933789	-0.43417314	-0.17702495	-0.25741407	-0.6293997	-0.6413714	0.7204703	-0.18217613	-0.19708012	-0.14656846	-0.01731574	-0.45289552	0.17790142	-0.58953613	-0.44563735	-0.19186488	0.5807538	-0.9983419	0.03349124	0.4886918	0.46437064	0.035322633	0.6468065	0.062335934	-0.2736314	0.5282695	-0.096585475	-0.6092003	-0.043143373	0.058383618	0.029071402	0.26590326	-0.71344024	0.05295906	0.9712755	-0.37662902	0.6859487	0.99483544	0.020764578	0.10436173	0.29383695	-0.88284284	0.06031378	-0.5213602	-0.9108858	0.44937646	-0.014154269	0.9986699	-0.04189745	-0.6693138	-0.3788652	0.032846197	0.19087413	0.7963007	0.93158984	0.5404872	0.49934658	0.99535793	-0.09018684	0.94571626	0.12788369	-0.8815438	0.9965085	-0.97864896	0.08429495	-0.25516927	0.45518428	0.34025326	-0.0489583	-0.4757463	-0.39417282	-0.624138	0.46790612	0.051084865	0.1895922	0.037868038	-0.6078071	-0.58728653	0.23021387	-0.2162861	0.44639322	-0.48172617	0.31065223	-0.4758386	-0.99992687	-0.5242904	-0.5644182	0.22905765	-0.19250424	-0.5196762	0.3308157	-0.2773846	0.28908306	-0.8176666	0.11041844	0.018321171	-0.14101481	0.525945	-0.5536378	0.242206	-0.29060236	0.179763	0.11699411	0.27084556	-0.19458859	0.14593834	0.085361615	-0.25257802	0.6664336	0.20234948	-0.09628204	-0.6106118	-0.31446356	0.48067862	-0.24184096	0.40840843	-0.98432493	-0.13403596	0.6978656	0.12897424	0.4405322	0.33274618	-0.8031688	0.9997687	-0.38695523	-0.34839952	-0.21173312	0.03145582	-0.43900436	0.06905607	-0.8570634	0.4643677	0.6989574	0.16272637	0.2550699	-0.6438415	0.17249855	-0.12184723	-0.012935489	0.5524348	0.5965591	1	-0.5237844	0.40611002	0.51726526	0.5291552	-0.5388434	0.88756824	-0.31787163	0.30509153	0.34707367	-0.4962931	-0.24070673	0.09877606	0.0901192	0.19768353	-0.0967407	0.29556248	-0.12607476	-0.093086824	0.18376578	-0.9246056	0.4099648	-0.77984357	0.82614285	-0.38184652	-0.6649373	0.471264	0.28954443	-0.35284078	0.40653953	-0.40559375	-0.16200835	-0.7108268	0.67247766	-0.22146152	0.053423595	0.36526558	0.39060342	0.32631102	-0.41448617	-0.07955922	0.9999999	-0.44821367	-0.9507812	0.46601894	0.9996618	-0.2994932	-0.60134614	-0.999919	0.08315254	0.04742445	0.50028366	-0.1799456	0.527851	0.29544976	0.7286224	-0.193455	0.33749694	-0.24669895	-0.16484123	0.56317794	0.67805934	0.15680458	-0.9999535	-0.9988765	-0.9662583	0.2948044	0.38399908	-0.7837074	-0.51229095	-0.5353308	-0.82159674	-0.35835925	-0.15360044	0.24022281	-0.62355447	0.26972955	-0.2022764	-0.3576408	-0.042955354	0.26680484	-0.3790012	-0.6936534	-0.9998303	-0.602319	0.5864547	-0.00635002	0.38200226	0.24956147	-0.97098976	-0.43492475	0.40493616	-0.30930468	-0.522595	-0.060706157	0.49782407	0.9747182	-0.11262768	0.20121501	-0.45992318	0.7942301	-0.4875261	-0.035892747	-0.6249892	0.49554944	0.038757116	-0.65729964	-0.26231846	-0.02811667	-0.5719463	-0.07828451	0.33290082	-0.37493977	0.21662606	0.7236233	0.39669853	-0.31231186	-0.29779658	0.88727903	-0.53189594	0.42102784	0.43872404	-0.6616295	0.3339272	0.99964833	0.2387723	-0.1976078	-0.25737104	-0.15510751	-0.15684088	0.414452	-0.9529457	-0.14916576	0.488165	0.30522752	0.3419017	0.6106629
146	1	CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC	0.9901725	-0.10716477	-0.3715394	-0.7143502	0.35856658	0.65965134	-0.75994235	0.31455147	0.6885331	0.66793203	-0.2428508	0.41281736	-0.813444	0.45060712	-0.72829336	-0.41054738	0.64078104	-0.36792976	0.070048235	-0.33781013	0.39192733	0.5572931	-0.6264117	-0.24738584	-0.48937052	-0.17181115	-0.40629345	-0.66949743	-0.10440059	-0.270287	-0.06217657	-0.775523	0.43213928	-0.18472227	0.78528064	-0.67689663	0.052470922	-0.05817767	0.9998702	0.78092235	-0.57840806	0.52117634	0.6773825	0.46583658	0.24456248	0.64232254	-0.78650314	0.5247337	0.9990514	0.06489831	-0.21782956	0.24292226	-0.40326813	0.5520254	0.122272864	0.4036499	0.90444905	-0.8742088	0.50163543	0.051157903	-0.65947896	0.8505295	-0.3795537	-0.115908675	0.36103964	0.778208	0.52739364	-0.5693343	0.060821492	-0.5112574	-0.048027884	-0.9704214	0.6112887	0.8975972	-0.010334911	-0.21190678	0.5461337	-0.21787998	-0.2370889	-0.99993175	0.90528274	0.096261874	-0.8698222	-0.041168835	0.42074528	-0.17078897	0.6865075	0.61495835	-0.29265365	0.7436593	0.36822912	0.023385094	0.26440087	-0.15951869	0.9999436	-0.05852828	-0.51583576	-0.7086548	0.4324164	0.19099252	0.33907917	0.08460702	0.33820617	-0.40031454	-0.9993702	-0.9345679	0.22893283	-0.35426858	0.98072827	0.057674963	0.060331173	-0.18272115	-0.7425158	-0.2690056	0.49815947	0.8960588	-0.5160997	-0.29337275	0.9448054	-0.45618236	-0.4065431	0.6276967	0.072843924	-0.42938584	-0.25373092	0.03579402	0.5235392	0.12352226	0.37181973	0.99568933	0.48196465	-0.4808906	0.567161	0.11016021	0.03947186	-0.9862547	0.17578526	-0.8835875	-0.8402289	-0.6333545	0.9967528	-0.006383857	-0.7118918	-0.29121926	0.60636204	-0.15026063	0.46200535	-0.13785209	-0.99676454	0.66727775	0.35088694	-0.9515941	0.099015795	-0.49944115	0.25279906	0.46862906	-0.31143174	-0.862756	-0.96520406	-0.92240167	-0.17114085	-0.89792943	-0.64109164	-0.29678836	-0.49713504	0.37446037	-0.73303765	0.40016186	0.19917274	-0.63718027	0.09515323	0.16140205	-0.07811485	-0.3496283	0.5112773	-0.78183234	-0.34091678	0.017409578	-0.8535938	0.095633335	0.51381844	-0.9997203	0.79745525	-0.3147823	0.8668262	-0.09812228	0.12756899	0.22116867	-0.3875139	-0.22737873	-0.7237264	-0.40620974	-0.15451325	0.5560793	0.4234512	0.56371194	0.48139414	-0.90414435	-0.07089621	0.36777458	-0.13797686	-0.3867408	0.22520423	0.5235283	-0.19946273	-0.66502565	0.5373243	0.3450831	0.24635473	-0.99998516	0.3494992	0.119857855	0.18757765	-0.43616173	-0.17151648	-0.38380626	-0.49451217	-0.24475594	0.43485603	-0.24985777	-0.2961323	0.15089707	0.19987655	-0.4594309	-0.99470925	-0.26444185	0.31456563	0.29704282	-0.16292599	-0.44089356	0.12576704	-0.12898496	0.7021784	-0.22496507	-0.07671943	0.40099993	-0.29897147	0.08562805	-0.05897512	0.56069773	0.90757847	-0.13750502	0.37336785	0.31164292	-0.9228499	-0.19029443	-0.739297	-0.47732854	0.44982347	0.69328237	0.5537354	-0.9997641	0.5264713	0.18265875	0.24501817	-0.5480633	0.61890817	0.2864345	-0.22289708	-0.50258005	-0.21274029	0.41371176	0.64728993	0.36310393	-0.22733392	0.20948146	0.27250564	0.77174145	0.9438157	-0.3777536	0.078621104	0.99706227	-0.5001896	-0.374074	-0.26230592	-0.95471454	0.83927137	0.41964358	0.41451785	0.47736365	-0.32300037	0.9443196	-0.20375028	-0.884456	-0.6969458	0.04761204	0.5071742	0.77946603	0.29619592	-0.6165001	0.73329353	0.36241305	-0.51433367	0.95842314	0.056029722	-0.23534	-0.9938769	-0.87802315	-0.63304037	-0.4616887	0.14616673	-0.047153655	-0.6985825	0.5098477	-0.53664577	-0.49989888	-0.9945702	-0.52879786	0.53415424	0.79402804	-0.00255443	0.62672716	-0.05902525	0.18401809	-0.97279376	0.51674813	-0.14356895	-0.6226818	-0.9996727	-0.90793276	-0.31141835	0.25909266	-0.3058793	-0.7035547	0.8486153	-0.5702059	-0.31658658	-0.07891225	0.50413525	-0.52593243	0.8366313	-0.29715595	0.20712653	-0.270379	0.4901961	-0.33002734	0.38318926	0.5031619	0.71220094	-0.4451839	0.28979826	0.6093003	-0.4803936	0.55427843	0.09026268	-0.4596655	-0.5067371	0.5943103	0.14418799	-0.9594396	-0.2504863	0.5635008	0.5444456	-0.307614	-0.04656997	0.06709292	0.22516613	0.9998073	0.72537196	0.748125	-0.07355186	0.3653566	-0.08262326	-0.09370752	-0.50437117	0.31508058	-0.68196565	0.40776289	0.51003534	-0.3287217	-0.006539227	0.14859283	-0.005233511	-0.68481576	0.58138174	1	0.000912853	0.40460443	0.02883215	0.74090695	0.4540258	0.36496118	-0.27959666	0.25813898	0.7359679	0.39831477	0.3984358	0.044953227	-0.7370442	0.5028038	-0.3242022	0.40290594	-0.08967721	-0.27921847	-0.17658244	-0.99272215	0.46941128	-0.3865847	0.26428497	0.82048404	0.99587566	-0.24871641	-0.44061342	-0.5734736	-0.13860375	-0.13552836	0.73090416	0.76809365	0.22794394	-0.18328215	-0.8500915	0.0802744	-0.11051537	-0.066827394	0.16159634	-0.62285537	0.9999989	-0.5854397	-0.9514936	-0.17333144	0.99459887	-0.77864283	0.83597416	-0.99991	-0.16359574	-0.9616315	-0.2704474	-0.33888575	0.02923043	0.6435956	0.3379125	-0.1766339	0.59561217	-0.073417336	-0.441668	-0.30182046	-0.025646035	-0.613664	-0.9994286	-0.99999976	-0.10316599	-0.14915343	0.5656906	-0.4082902	0.024004968	0.4708096	0.045486882	-0.65229017	0.14901759	0.24935515	-0.22367063	0.5137838	-0.091264546	0.55171657	0.1920943	-0.35232434	-0.46427456	0.9065038	-0.9971836	0.276517	-0.6442922	0.21425043	0.74999565	0.7580906	0.89623356	0.8170054	0.73663086	0.32527113	0.10116554	0.34173194	0.1038239	-0.89918166	-0.26456276	-0.9900163	-0.11279735	0.04086426	0.3175197	0.8334412	-0.004469381	-0.20865473	-0.36679256	0.9287343	-0.9987417	0.42934594	-0.4932279	-0.22692141	-0.016787618	0.1443397	0.3265059	0.39840895	-0.75279367	-0.09335716	-0.03688664	0.9994366	-0.101512074	-0.8160837	0.79195035	-0.21551687	-0.060407713	0.9997317	0.4726993	-0.7389683	-0.044693824	-0.24115445	0.29160577	-0.6742952	-0.9997881	-0.55941045	-0.16089125	0.15392683	0.5849282	-0.081807375
147	0	CSC(=O)c1cccc2nnsc12	0.14673375	-0.097750105	-0.011142749	-0.07132375	-0.23350582	-0.45690316	0.34367982	0.04685298	0.29443732	0.17513692	0.2003637	-0.38677374	-0.059857793	-0.47213116	-0.22517891	0.57524186	0.31585014	-0.534928	-0.16180553	0.23956412	0.2799379	-0.58019537	-0.7669477	-0.4629556	0.12488796	0.50379694	0.04810328	-0.3214308	-0.23600666	-0.30498207	0.5927609	0.15784039	-0.044434514	-0.27698562	0.15802063	-0.34436947	0.87070316	-0.017146736	0.6138575	-0.91515434	-0.99068177	0.28207728	0.6918288	0.16985421	-0.20589615	-0.9923502	0.2088026	0.25917962	0.97963285	0.4764965	-0.52056277	0.11706903	-0.34217018	0.1978648	-0.90204144	0.59435725	-0.7851358	0.90748614	0.4362624	-0.34716448	-0.25541827	0.2139396	0.014938128	-0.53931165	0.6069766	0.29285544	-0.18692707	0.46148717	0.540187	0.26726505	0.37957776	-0.99632734	-0.29600716	-0.5401266	-0.16833054	-0.32478452	-0.5733383	-0.31586716	0.23093916	-0.9999256	0.37548453	-0.31653783	-0.9606177	0.1291802	-0.16024713	0.37266353	-0.1256764	-0.27438086	-0.08703919	0.40058726	-0.01131973	-0.001981544	0.3022138	-0.31861138	0.98442376	-0.7365119	-0.2050257	0.49197644	0.17052186	0.41591993	0.6381465	-0.41125128	0.2832699	-0.61538744	0.7238632	-0.9736218	0.61186975	0.33753523	0.984178	0.5377362	-0.24467534	-0.30892235	-0.68017185	-0.48580208	-0.688856	-0.7092712	0.18159664	-0.7132545	0.99949974	-0.5787628	-0.39785796	-0.096628055	0.099842876	-0.098333806	-0.076214895	-0.44531897	-0.63911957	0.05277305	-0.4478983	0.99173594	0.09962684	0.46689352	0.15725052	0.30676365	0.3725643	-0.9665173	0.19936399	0.1590229	-0.25105155	-0.36902505	-0.99962455	-0.6849431	0.92087823	0.601369	-0.19969743	-0.013205488	0.358803	0.6376285	0.98691076	0.029759321	-0.58646256	-0.80836695	-0.55832446	0.35108402	-0.001736237	0.20060273	-0.379937	0.9984715	0.09331786	-0.9605466	-0.9930485	0.41181362	-0.21776722	-0.49230835	-0.106568076	0.01955884	-0.24663205	0.33947426	-0.24930446	0.51732975	-0.29709926	0.28167737	0.6069153	-0.2848405	0.28191045	0.21185124	-0.6952712	-0.24621955	-0.7410641	0.530069	-0.7140912	-0.9527031	0.102609046	0.2332369	-0.79212207	-0.15035936	0.20940062	-0.23309138	0.18205889	-0.45601344	0.69000345	-0.38477492	0.32101104	0.037994232	0.07238001	-0.34276178	0.27174038	-0.8548243	-0.2561621	-0.28483832	-0.077657	-0.08135494	0.34285873	0.54684335	-0.1610263	0.5093938	-0.3620007	-0.072525054	-0.25465322	-0.9823648	0.005058165	-0.19355692	-0.5926606	0.30712846	-0.06892891	-0.14014864	0.64800996	-0.29655427	-0.44420475	0.47286376	0.21230747	-0.051340476	0.61765873	-0.53271	-0.93970996	-0.11257044	-0.2123967	0.4757688	-0.12481122	0.37071478	-0.59361535	-0.20150357	0.26858708	-0.8667934	-0.43209216	-0.3260906	-0.27300325	-0.53734845	0.22003435	0.00018776	0.9220329	-0.04917978	0.52001804	0.44118443	0.81531864	-0.16140018	-0.33822334	0.17402376	0.0790734	-0.54134154	0.036253814	-0.9673	-0.42062014	0.45660266	-0.7015894	-0.3377101	-0.38235998	-0.085307695	-0.034580354	-0.59046406	-0.04139354	-0.42044926	0.06581849	0.2779497	-0.5616215	0.005037313	-0.17469457	-0.2791628	0.43514502	-0.04760767	0.69225556	0.5397855	-0.49311084	0.01146784	-0.039270867	-0.65272355	0.3601813	0.056445766	0.46716464	0.74752605	0.000700669	0.9994648	-0.628016	0.17291948	-0.60256994	0.70394206	-0.18989803	-0.053401757	0.9127487	0.1283674	0.33903858	0.99952734	0.25053817	0.9055445	-0.24619691	-0.057216886	0.99995863	-0.7186522	0.37179682	-0.11728888	-0.017108234	0.41864386	-0.55123764	0.33717212	0.7515827	-0.10116044	0.9877197	-0.31537768	-0.7552393	0.56173027	-0.058543496	-0.44551077	0.49362648	-0.40439808	0.10452563	0.62986255	-0.39605936	0.10713261	-0.9999528	0.3798683	0.442763	0.38134483	-0.34547982	-0.32803783	0.55486345	0.10725557	0.37188268	-0.85812414	-0.49458897	0.468876	-0.2807418	-0.059465475	-0.06439769	-0.03423923	-0.072648466	-0.5980079	0.029333517	-0.08190443	-0.071987994	-0.4003004	0.2524593	-0.44867137	-0.6281181	0.8677734	0.14583327	-0.23554242	0.002979765	-0.23422939	-0.28022572	0.86207944	-0.9939327	0.1557106	-0.11681366	0.4837595	0.5570022	-0.5443021	0.11326599	0.9986717	0.034176126	-0.14258124	0.6727724	-0.3498985	0.22700644	-0.48524994	0.38423333	0.23317574	0.09530945	-0.3470242	-0.261832	0.4494475	0.33572498	-0.048639115	0.361842	0.72820634	-0.042402837	0.9996399	0.13226767	0.2800443	0.03835577	-0.3816626	-0.7641599	-0.7306085	-0.2901813	-0.08751852	0.31537408	-0.316269	-0.22593051	0.08495904	0.15925902	0.909599	0.18504885	0.7108287	0.47030008	-0.4445628	-0.14789832	-0.38418007	0.74369097	0.46682924	0.8390361	0.22169906	0.16938137	0.078432694	-0.3243532	0.03915181	0.20132156	-0.12385915	-0.53090835	0.8871087	-0.82220054	0.4060407	0.14424713	0.43824872	0.63392985	0.21805762	0.23036227	-0.21633968	0.9999999	-0.80893207	-0.9868567	-0.63723177	0.9991805	-0.30050895	0.0690088	-0.99991024	0.057087626	0.30247045	0.8423834	-0.23047328	-0.7312802	-0.33379784	0.60454166	0.8052802	0.5309648	0.12866671	-0.42749536	-0.08086903	-0.012619978	-0.45677036	-0.9999633	0.98227656	-0.9944629	-0.0688223	-0.20584825	-0.15400268	0.5997077	0.21207903	-0.8542914	0.67591584	-0.13854295	-0.036426354	-0.44597796	-0.8467948	-0.38890228	-0.47474638	0.443226	-0.21648706	-0.5274109	-0.9716605	-0.99993086	-0.33976397	0.6184008	0.028862286	-0.043571174	0.058906965	-0.6370963	0.07564379	-0.3479656	0.035421785	0.4288042	0.44297448	-0.20236702	0.98685884	0.10869679	0.8577989	0.57873607	-0.14396699	0.515595	0.2920484	0.37419456	0.28512922	-0.5074617	0.6792388	-0.2907887	-0.33548477	0.27180904	-0.6015756	-0.37987044	-0.024272278	-0.20821686	0.6610614	0.40014705	0.28543767	0.46190298	-0.4715624	0.52767164	0.2490487	-0.5412065	-0.049295686	0.007700498	0.99986786	-0.30214545	0.20044246	-0.12673993	0.40469342	-0.60171694	0.03215927	-0.46189544	-0.25780424	-0.20535706	-0.40142134	-0.4996143	-0.1937871
148	0	O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	-0.31612256	0.12005827	-0.7489169	0.25722688	-0.17087904	-0.72545046	-0.46322754	-0.1238458	0.45653206	0.518747	0.12614541	0.70425135	-0.38697237	0.8289166	0.01300771	-0.73429036	0.019917866	0.62008464	0.59788233	0.30390233	0.5364503	0.3276878	0.00032362	0.38843468	0.15989853	-0.46221006	0.31141996	0.30274197	-0.12565199	-0.42761585	-0.31100625	0.6160367	0.21979459	0.09822853	0.17707093	-0.3289744	-0.07599505	0.70926994	0.9984983	-0.28450084	-0.872434	-0.28337315	-0.11015971	0.06923493	-0.19138633	-0.54863167	-0.04057583	0.29258904	0.44234067	0.26970604	0.7125994	0.6830624	-0.72934484	-0.31901705	-0.54530305	-0.11373751	-0.8565378	-0.5154698	0.21007322	0.2637117	-0.113684125	0.6616079	0.3880029	0.5838848	-0.10630604	0.71640944	0.576719	0.27013072	-0.14838941	-0.19556446	-0.6914087	-0.58816594	-0.5643879	-0.8022227	0.12788552	-0.14637952	-0.44725823	-0.12936461	-0.3416357	-0.9983908	0.20040089	-0.3620261	-0.9020151	-0.56627023	0.44612736	-0.9109785	0.083739184	0.28335282	-0.45746833	0.2485858	-0.53466684	0.4360729	-0.24552697	0.6325865	0.99932337	-0.42099157	0.45463818	-0.40901917	-0.46597764	0.14570199	0.3843969	-0.5238481	0.24109699	0.821166	-0.98986214	-0.78007364	0.29944807	-0.21510231	-0.8247321	-0.0496542	-0.14065173	-0.79014665	-0.55489117	-0.7252377	0.64264745	0.47086045	0.45095527	0.49618992	0.9915307	-0.35006875	0.23330124	-0.08231224	-0.5873071	-0.21607389	-0.8249861	0.045500424	0.05365904	-0.4830825	-0.07434952	0.9998438	-0.50829494	-0.07485169	0.7644067	0.1679814	-0.52126807	-0.9425349	0.41350922	0.31586438	-0.52979386	-0.08308991	-0.99969476	0.031035936	0.43954068	-0.5110687	0.3406222	-0.28370258	-0.6841955	-0.3934013	-0.7451232	-0.09694706	-0.2396761	-0.41113433	-0.2274632	-0.3157699	-0.3331452	-0.021318344	-0.71917	-0.01720914	-0.8659911	-0.521528	-0.75542057	0.5657368	0.061078362	-0.39671192	-0.035416897	0.5905946	-0.73774767	-0.036203444	0.05546039	0.42177388	-0.5850442	0.07295098	-0.5355471	0.30448976	0.7782901	-0.9540415	-0.76464695	-0.4344878	-0.48686618	0.49867558	-0.020673934	-0.9928337	-0.77477574	-0.668465	0.068995684	-0.22010045	0.3949161	0.25070614	-0.2754112	-0.38367474	0.10044212	0.455639	-0.41243163	-0.4151094	-0.6261136	-0.13092643	0.7296487	0.7723966	-0.012252169	0.55558234	-0.28130004	-0.2046082	-0.5888636	0.36209458	0.10172894	-0.574878	0.5837827	-0.5164221	-0.37726715	-0.9995267	0.35239643	-0.006266862	-0.059141435	-0.16594301	-0.32618144	0.7312571	-0.04896212	0.32005566	-0.1594887	-0.70998454	-0.23222987	-0.53931594	-0.43860593	0.501529	0.9799141	0.18729588	-0.5571165	0.5623701	0.022824597	0.051194973	-0.77312875	0.18999991	0.42670253	-0.16989726	0.11716429	0.06722225	-0.09016251	0.050506108	0.09853095	-0.34245574	0.7194135	0.06669459	0.7112323	-0.73383915	0.3574639	-0.26465353	0.24269	0.084316224	0.16621134	0.001446375	0.06814367	-0.9763608	-0.020226043	0.36336312	0.15616363	-0.06849715	-0.15215868	0.43660566	-0.2251602	-0.28182095	0.41311643	0.45711467	-0.22857434	-0.4884657	0.31651878	-0.09410546	-0.26795915	0.27787405	0.6138364	0.08369904	0.26962808	0.88942456	0.48690537	-0.010649039	-0.6088905	0.86251885	-0.39967385	-0.47944131	-0.6106369	-0.08959144	0.05946063	0.99672914	-0.4574374	0.66423357	-0.15046138	-0.18073876	-0.05710776	0.27967408	0.47467366	-0.02651432	-0.6253986	0.8807867	0.32710758	0.50841856	-0.22980917	-0.13020085	0.9998934	-0.9882487	-0.60507214	0.70789754	0.3734112	0.21963464	-0.82385665	0.3680532	-0.05765334	-0.34993568	-0.936043	0.2536991	0.6252152	-0.07733639	0.4598505	-0.46723378	-0.49116373	-0.14267063	-0.76579	-0.10990367	0.1908612	0.17870447	-0.95733845	-0.12552477	0.01241538	-0.08218845	0.7493216	-0.8679853	-0.43784365	0.17311898	0.557542	-0.96467644	-0.050163	-0.6607935	0.08422889	-0.47527194	-0.034080792	0.15247801	-0.110287055	0.54036164	0.12126212	0.28611213	-0.07809087	0.79597676	0.74167174	0.56041616	-0.56029975	-0.19073018	0.084169775	0.07699855	0.65927404	0.27238476	-0.4731006	-0.78839236	-0.94090796	0.4767567	-0.27791792	-0.20148209	-0.35912043	0.594366	-0.22052114	0.9995868	0.60057443	0.27253547	-0.3351428	0.08569881	0.52967274	-0.66082585	-0.83765686	0.115683235	0.2102782	-0.49908084	0.42710057	0.45185432	-0.6221154	0.32949147	0.44838816	0.16841447	-0.033786364	0.99545044	-0.06364369	-0.34798557	0.010898523	0.056139078	-0.2845664	-0.6764583	-0.15489581	-0.5578307	-0.11342305	-0.33309716	0.1431276	-0.11908912	-0.36645597	0.6915895	-0.71640694	-0.276097	-0.2634645	-0.10777726	0.43113634	-0.3930943	0.036498114	0.22156502	-0.077389084	-0.14082265	0.8618817	-0.41285446	0.15247668	-0.013455609	0.23285076	-0.5760388	-0.5752746	0.97792673	-0.29463533	0.18090521	0.40838957	0.6678775	0.25485262	0.67166656	0.48917437	0.13419221	0.9999259	0.28041396	-0.9934314	-0.34638166	0.9998036	-0.5731715	-0.47538215	-0.99831414	-0.35813975	-0.38537198	0.67721546	-0.03127526	-0.1597253	-0.22779407	-0.16251265	-0.67834306	0.11547665	0.46034753	0.02104096	-0.10247757	0.3734538	-0.29005352	-0.99998665	0.9974519	-0.45592433	0.515699	-0.2306322	-0.018065358	-0.5494216	-0.6713996	-0.4547005	-0.73525447	-0.6258731	0.53465813	-0.9642682	0.3474439	0.18672816	-0.03985569	0.106472366	0.73646724	0.57177234	0.6710309	-0.99991524	-0.23824714	-0.27921048	-0.19287044	-0.29156888	-0.2199992	-0.6023472	0.831267	-0.42440268	-0.40008765	-0.2202066	-0.18088552	-0.085515045	0.97605294	-0.3988596	0.77063733	0.22788844	-0.4790359	-0.56647146	-0.078737505	-0.14268552	-0.55026585	-0.21845502	0.024840493	0.05816243	0.66941166	0.093454614	0.50216115	-0.44997215	-0.5446691	0.35940802	0.73977345	-0.610638	0.16035382	-0.16382147	0.98885715	0.35310698	0.79926324	-0.31266966	0.1499051	-0.24802618	0.9994428	0.80415803	-0.34826514	-0.47606188	-0.035313334	-0.6431768	-0.5975828	-0.97768396	-0.4667659	-0.34058958	0.39781365	0.6586307	-0.20830986
149	0	C=CC(N)=O	-0.7365045	-0.20140918	-0.3732987	0.05267513	0.00362909	0.27523342	-0.18481633	-0.27422094	-0.11096648	-0.060211025	0.17671984	-0.57594186	-0.004842667	-0.5590412	0.5794037	0.23820312	-0.18896854	0.26728794	0.20870356	0.11517913	0.6682931	-0.8622009	-0.14058371	-0.28671023	-0.025369523	0.21783851	0.24926767	0.2951845	-0.2757724	0.28567633	0.23947887	0.6210567	0.7203663	0.051291335	-0.00442791	-0.16164471	-0.04035169	0.7268016	-0.9453558	-0.7261586	-0.9679576	-0.15713638	0.007517948	-0.36978877	0.55321133	-0.9877259	0.5399815	0.29136544	0.9853613	0.26741138	0.035439175	0.4097178	-0.5215853	-0.13428886	-0.8802178	-0.45232743	-0.055267114	0.94545305	0.36357567	-0.36428124	-0.3803535	-0.6376321	0.0806341	-0.23379047	0.31804323	0.32949612	-0.04474815	-0.1164455	-0.30596405	-0.38802546	0.7583349	-0.999396	-0.45625678	0.83165306	-0.35061064	0.7658312	-0.15131338	-0.5242817	0.38179353	-0.999297	-0.719335	-0.31425938	-0.35387233	-0.060205963	0.2743288	0.9797521	0.77944636	-0.3624949	-0.26005566	0.01950911	0.071631946	-0.076542065	-0.72391635	-0.15700862	0.8527505	-0.3207292	-0.852624	-0.10881922	0.3171215	-0.25629765	-0.28941804	-0.07712151	0.5088554	-0.9036391	0.9868641	0.3516327	0.2154724	-0.16954246	-0.90492535	0.35308987	0.11169812	0.035144188	0.2623394	-0.09753562	0.1638126	-0.057620898	0.18073334	0.102857634	0.99397945	0.11392153	-0.15571071	-0.002329766	-0.1503766	0.231727	0.021382058	0.22238621	-0.676045	-0.21613558	0.18833625	0.9541488	0.15084435	-0.40798014	-0.031287037	0.22173665	0.07351938	0.23709422	0.0464873	-0.43716192	-0.22789694	-0.40884116	0.99803805	-0.3394315	0.912421	0.72594786	0.3598503	0.48097244	0.3183532	0.035357814	0.9929562	-0.09324992	-0.40512863	-0.097249396	-0.27722502	-0.49238297	0.2137271	-0.15534844	-0.084361464	0.9968274	0.5323847	-0.3181856	-0.98583186	0.2401059	-0.06775584	0.23585273	0.18579714	0.43938148	0.24691206	0.7792115	-0.20095956	-0.19175324	-0.5624908	0.058896262	-0.21905185	-0.55658704	0.32920492	-0.8894652	-0.6574387	-0.57897586	0.08955278	-0.43460366	0.24959344	-0.905313	0.088608965	0.23297293	-0.8772526	-0.010201869	0.33212262	0.47021723	-0.5280954	0.24692845	0.28264856	0.47308972	-0.07742864	-0.15214635	0.72276056	-0.1451682	0.34477636	-0.38890976	-0.30304146	-0.36122122	-0.5793421	0.23376332	-0.32912853	-0.045102533	-0.03010179	-0.2226071	-0.2262434	0.51575774	-0.2883617	0.94380146	0.241409	-0.2901031	0.2682016	-0.61680275	-0.40835497	0.86374664	0.23513323	-0.408812	0.17117442	0.22024989	-0.028545247	-0.26375562	0.42054352	0.49553826	0.9982115	0.08347803	-0.062475678	-0.13174498	0.27531797	-0.0658754	-0.06082938	-0.46315876	0.43571174	-0.41751084	0.3553237	-0.57143265	-0.52039987	0.03856908	-0.013153507	-0.44498393	0.7453703	0.15969065	-0.4725196	-0.54839545	0.37766358	-0.45304203	-0.11124309	0.07073586	-0.31167287	0.12689443	0.6884647	-0.9987667	0.11968586	-0.38619035	-0.19464295	0.5461445	0.14864884	0.117319256	-0.26254797	0.2021004	-0.732081	0.698026	-0.58716184	0.012365219	0.3992542	-0.2475554	0.25918946	0.72115237	0.08008181	0.34979293	-0.20408958	-0.9333982	0.09724139	0.04065589	0.24781266	0.44183984	-0.07419175	-0.053255845	0.069478676	0.66473466	-0.32930747	0.99698406	0.4839723	0.19647053	-0.23989527	-0.04261981	-0.7137717	-0.9173105	-0.80653465	0.004789848	0.47285202	0.994971	-0.5819237	0.750166	-0.091606684	-0.3981373	-0.9939878	0.45089087	-0.104505025	-0.85368335	-0.41263947	0.47834164	0.23222761	0.23809074	-0.0185385	0.32191902	0.9993569	0.14009076	-0.41047603	-0.18363956	0.011166302	0.5506445	0.34580132	-0.09304694	0.27246398	0.58331853	0.26569885	-0.042439893	-0.91707736	0.036645997	0.16654535	0.6016843	-0.3310109	0.2232157	-0.5911305	-0.42376092	0.2943756	-0.80922216	-0.032998566	-0.5600402	0.116528	0.012043214	0.4263638	0.7580727	0.14360982	-0.8277948	-0.046988454	-0.22881265	-0.61384356	-0.20733277	0.53072584	-0.14581342	0.11235149	0.6741457	0.059559207	0.5220323	0.22850753	0.37872398	0.52168006	0.9603776	-0.98227984	0.15229699	-0.13160037	-0.17916992	-0.19876665	0.24727283	0.09898701	-0.5925566	-0.30604044	-0.2888271	-0.43773603	0.16425243	0.04180288	-0.13754362	0.1193795	-0.2175681	-0.10813646	-0.5207858	-0.37080106	0.053950354	0.14648716	-0.3782834	-0.38969263	0.940965	-0.34799448	1	-0.15116036	0.27812278	0.43829602	-0.4110886	-0.9420066	-0.4595399	0.1927436	-0.40073606	0.6745111	-0.40182817	-0.06142688	0.093121104	0.36981025	0.10978124	0.08702485	-0.3178769	0.08646358	-0.18553424	-0.4531899	-0.36803305	0.2648184	0.7443925	0.6907298	0.767847	-0.71089715	0.432185	-0.11389971	-0.53921896	-0.5822752	-0.26737803	-0.61639947	0.29789293	-0.18706164	-0.450209	0.7433611	0.3962007	0.24004368	-0.11464141	-0.19422038	0.069236845	0.99975264	0.11136112	-0.14065541	-0.5143441	0.887512	0.14222279	0.11801891	-0.99510366	-0.26243287	0.6808476	0.5335756	0.22622316	-0.5313426	-0.43388435	-0.22196701	0.9225054	0.1376029	0.09798888	-0.34977016	0.2560054	-0.13397491	0.46279576	-0.9997262	-0.9999995	-0.98963463	-0.20302697	-0.37600818	-0.11396684	-0.26862907	-0.17641018	-0.72331387	-0.21566232	0.6268997	-0.43241173	-0.18168305	-0.4297902	0.05591215	0.25481248	-0.53237295	-0.16258058	-0.441261	-0.9889687	-0.99965173	-0.68606496	-0.3685842	0.50955606	0.17875753	0.026492277	-0.48956022	-0.50464576	0.6343091	0.49514106	0.081805214	0.19564335	0.38297975	-0.92876196	0.61123776	0.9648287	-0.043539643	-0.09757215	0.18521313	-0.39887592	-0.37338442	-0.18299718	-0.06514308	0.9077638	-0.81903714	0.3155133	-0.5066919	0.285518	-0.50191617	0.16342224	0.097929075	0.23673944	0.51601243	-0.23159194	0.49602228	-0.99287814	-0.23524363	0.18858604	-0.11278321	-0.18582498	-0.061076652	0.9988876	-0.4000775	-0.12569219	0.2715342	0.41954923	0.6847821	-0.060310863	0.97375274	-0.06522238	-0.63953406	-0.37468624	0.8375561	0.09366597
150	1	COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1	0.7804331	0.1551373	0.37887013	-0.19848317	0.71381706	0.8606152	0.62047976	-0.5139673	0.059551965	-0.21010701	0.66533905	0.19044487	0.60365534	0.39570728	0.6477557	0.81861293	-0.65063614	-0.13111179	0.5701083	-0.75483394	-0.054013968	0.58688134	0.5980405	-0.09833927	0.18035036	0.26874533	-0.17410883	-0.60870165	-0.06621687	0.25207692	-0.6122582	-0.774269	0.2638504	-0.34010652	0.39427236	-0.68277806	0.58340955	-0.57324785	0.99985254	0.75390875	0.99614054	0.2514713	-0.19383189	-0.65041673	0.44714278	0.99801975	0.5077073	-0.037071347	-0.2719171	0.25355098	-0.36000484	-0.39550892	-0.044633426	0.43870205	0.7758441	-0.0942015	0.035698786	-0.9981009	0.30570805	-0.033275813	-0.5701768	0.21720234	-0.725358	-0.38152862	0.40166548	0.48198998	0.014580582	-0.5932869	0.26526728	0.6397994	-0.98816025	-0.98915535	0.12404445	0.18978871	-0.59110326	0.7283912	-0.47420716	0.545266	0.008956468	-0.99298453	-0.9487515	0.029875182	-0.9795211	-0.6315664	-0.4231724	-0.36636686	0.015781838	-0.7137278	-0.21627732	-0.29062817	-0.3020061	0.29343224	0.56224936	0.31401825	0.9999306	-0.33563262	-0.9170111	-0.30597886	0.665993	-0.6598018	0.1943018	0.49572024	0.3387108	0.509073	-0.9999884	-0.7434811	-0.27813312	0.18297878	-0.9999995	0.021145796	-0.71528643	-0.47908103	-0.78540915	-0.21223363	0.86131114	-0.18898177	0.43063274	0.3839308	-0.9556739	0.14884783	0.097200625	-0.56338865	-0.5731172	-0.030149166	0.25622594	-0.36961555	-0.53074294	-0.02193481	0.22620703	0.9634473	0.46433124	-0.2626327	-0.11241962	0.69229525	-0.42897102	0.95533425	0.31877488	0.016109705	-0.193156	-0.055782862	-0.9999999	-0.05594845	-0.9879551	0.17926997	0.015195256	0.13806185	0.71511924	0.6144926	-0.9999974	-0.60296386	0.3240122	-0.9256358	0.36551166	-0.1417579	0.32995483	0.21660818	-0.085379	-0.99997413	-0.8891147	0.39376953	0.98156923	-0.36964756	0.775289	0.037099022	-0.15164508	-0.06562818	-0.715284	0.23802003	-0.317018	0.23600185	-0.5253491	0.6811157	0.37530735	-0.028117964	0.27577335	0.30459574	0.68893677	-0.07741925	-0.50039786	-0.026715092	0.113134235	-0.9995759	0.12330356	-0.06242949	0.99949086	0.30537686	-0.6284924	0.012964204	0.5315832	-0.36532772	0.8857298	0.50356466	-0.71159816	-0.40923995	-0.84048843	0.041443035	-0.36039126	0.50210357	-0.88326406	-0.77826756	0.25727642	0.84463316	0.39215243	-0.3722742	0.18898502	-0.4334638	0.47702453	0.76736695	-0.20569038	-0.99986905	-0.79073304	-0.040521447	0.21982174	-0.07471506	0.12816401	-0.04230838	0.5678591	0.76777697	-0.691919	-0.4059524	0.17816938	-0.4323624	0.578685	0.17240311	0.99999994	-0.43980744	0.05389644	-0.67171866	-0.25868282	-0.4436393	-0.38527024	-0.19624467	0.08886421	-0.63908756	-0.47466683	-0.44237724	-0.76418227	-0.4894338	-0.38284135	0.012100628	0.82900053	0.40829137	-0.48413736	0.032911647	-0.72082067	-0.12352631	-0.1291506	0.89552456	-0.51623315	-0.58809745	-0.7983301	0.35661486	-0.042054452	0.13927978	-0.6956235	-0.8976189	0.048102986	-0.048299693	0.1395676	0.774166	-0.68599796	0.64245075	0.4926927	0.2349912	-0.20710054	-0.48364612	-0.25649747	-0.40347236	-0.9965309	0.8266487	-0.2993809	0.999937	0.8044244	-0.20345205	0.5371195	-0.5143955	0.6227751	0.6759707	0.37306553	-0.32159036	0.088238105	-0.9708755	0.330581	-0.7119104	-0.68880856	-0.38490215	-0.76282257	-0.9576228	-0.9992604	-0.3384293	0.11508169	-0.9993415	0.46826684	0.6814261	0.113102354	0.123635165	1	0.68450636	-0.2664311	-0.6364297	0.6229417	0.62149125	-0.20532024	0.7333724	-0.3411729	-0.9332159	-0.9999593	-0.32171363	0.35743254	-0.10340833	-0.50949854	-0.29060036	0.64790255	-0.25597858	-0.9577152	0.14908329	0.17855723	-0.4079042	0.9999999	0.6476871	0.2610746	0.6088857	-0.26843607	0.11633772	0.27577573	-0.004645219	-0.7667773	0.9644927	-0.38853014	-0.4041208	0.38035077	-0.0426009	0.08976354	-0.31594333	0.44407135	-0.9357643	0.66314286	0.24402584	-0.47025698	-0.67952055	0.13611045	0.72544	0.17828463	-0.8350817	-0.3588795	-0.47257674	0.19864288	-0.057180736	0.6998756	-0.9991947	0.99786115	-0.5089781	0.14097427	-0.46316883	0.1598027	0.102377005	0.10999945	0.99904877	-0.41125846	0.94457144	0.49245238	0.50524545	-0.007963678	-0.7170954	-0.6249022	-0.48003623	-0.11969803	0.8370491	0.16980489	0.07503685	0.4275512	-0.20168795	0.92317814	-0.9813158	-0.17519318	-1	0.6875164	-0.05303003	-0.42239517	-0.69675493	0.44101357	-0.056827165	-0.7524601	-0.5275587	0.46041623	-0.16902417	-0.3429569	-0.70426834	-0.32843593	-0.3722491	0.397744	-0.13558155	0.31993586	0.63851714	-0.5336601	0.47811115	-0.01671881	0.7043132	0.16622317	0.8244066	0.9998397	-0.16477405	-0.66468203	-0.6012155	0.1012538	0.12424946	0.8060911	-0.79419094	-0.33944553	-0.310349	-0.94236606	0.46842036	-0.667629	-0.34796593	0.4619814	-0.32352796	-0.9999864	-0.4438537	-0.9616141	0.31607637	0.99662757	-0.45256764	-0.6092479	-0.010291197	-0.746222	-0.2965051	-0.56976384	0.34878457	0.6014405	0.12327157	0.74649376	0.1676772	0.2483165	-0.5630327	0.26537466	-0.51488143	-0.41506666	-0.61903995	-0.74699026	1	0.9891964	0.10770627	-0.0700982	0.86114794	0.52909565	0.086684905	0.30062577	0.2742251	0.028435979	0.7839208	0.01047664	0.31611246	-0.35455778	0.10967486	0.71231306	-0.5620381	-0.85321504	0.99895257	0.22711669	-0.4147944	-0.25001922	-0.46674374	-0.38366306	-0.31212512	0.9987931	0.8250208	-0.302325	0.65979826	0.5458113	0.2361419	-0.7945398	0.95687294	-0.09738957	-0.8474826	-0.14913164	0.099186204	-0.08283511	-0.5350327	0.6050816	0.71994674	-0.14463185	0.9075079	-0.9997307	0.6007966	-0.496517	-0.10928219	-0.32613975	0.45144862	0.1990218	-0.07377028	-0.7090035	0.2582201	0.38593394	0.9997114	-0.73053813	-0.65083504	0.68032354	-0.06335695	0.6921983	0.99993014	-0.7534953	-0.25443292	-0.30925214	0.5810938	-0.31242085	-0.3880531	-0.99973947	-0.643895	-0.7181028	-0.42929032	0.47583085	-0.39494032
151	1	CCc1cccc(CC)c1N(COC)C(=O)CCl	-0.8910734	-0.38072687	0.12262263	-0.6275672	-0.60441476	0.29844007	-0.19143261	-0.54867494	0.02968533	0.3104402	-0.50943774	-0.39452448	0.7132897	-0.6815903	0.7104769	-0.43137458	-0.7171886	-0.63474834	0.51470256	-0.09126645	0.23053326	-0.34183457	0.16389051	0.21122088	0.5741211	0.43411	0.26063085	0.38505095	0.15522824	-0.50925934	-0.42998704	-0.49375796	-0.23709883	-0.65298533	-0.7921258	-0.39379853	0.49183592	0.34669217	0.9763927	-0.4916465	-0.9009552	-0.71492165	-0.5620115	0.50667167	-0.498713	-0.9735363	-0.6976417	0.56996185	0.99094766	0.31906828	-0.48668423	-0.2674738	-0.18334442	0.12008795	-0.88783216	-0.029010622	0.19463846	0.5667462	0.049283866	-0.6608183	0.08648929	0.7023902	0.26464552	-0.45042694	-0.28002313	0.7905226	-0.6786262	-0.06532613	0.44271538	0.6673648	-0.875449	-0.97640425	-0.3193246	0.36902413	0.84091944	-0.68198687	0.43353045	-0.054164205	0.45861778	-0.9998572	-0.21150798	0.61100656	-0.86105317	-0.06403984	0.59289855	-0.4507392	0.37820715	-0.2610835	-0.30877933	0.3221134	0.7582294	-0.47225896	0.3447079	0.27745184	0.9919672	-0.10672745	0.013097835	-0.12079309	0.44982585	-0.37116325	0.4506959	0.60172266	-0.8172031	-0.6268203	-0.60949624	0.19643271	-0.3761672	0.24656618	0.99222255	-0.7317329	-0.190468	0.59845454	-0.43556076	0.11155286	-0.22893298	0.289565	0.41967005	0.14686918	0.9986291	-0.63110965	0.111970134	-0.026924483	0.279976	-0.5325861	0.48261112	-0.5271641	-0.118850335	0.47092208	0.33708888	0.99939084	0.32500377	0.29641417	-0.4541333	-0.026429545	-0.4395434	-0.98594534	0.4850423	-0.55118483	-0.7157708	-0.88405746	-0.9924272	0.14752682	0.98320144	0.10611637	0.23423272	0.39400342	0.32380772	0.35733104	0.52032787	0.39522743	-0.040075846	-0.56319046	0.14113702	-0.24295962	-0.71927255	0.42658928	-0.44993252	0.963367	-0.8467016	-0.93074906	-0.9702017	0.37748662	-0.2884605	-0.2643222	0.48389712	0.7746251	0.4201223	-0.20839041	0.3072864	0.19095218	-0.28793088	0.57218176	-0.32271433	0.2613843	-0.28182328	-0.92726034	-0.69928074	0.25776243	-0.37000078	0.22866137	-0.5825534	-0.3908004	-0.53703094	-0.09373143	-0.33728623	-0.5504546	-0.18832076	-0.16370854	0.1544343	-0.008013724	0.15356669	-0.26680458	-0.068787456	-0.5147794	-0.7915193	0.1423974	0.45467937	-0.8590032	0.14406131	-0.26479164	0.15159929	0.48976108	0.6541074	-0.7831085	0.18352671	0.24156083	0.3703327	-0.23151138	-0.15927683	-0.99964553	-0.11952332	-0.04826081	0.48770165	0.19226044	-0.08413382	0.26671377	-0.09946701	-0.45231673	0.32686722	0.3154176	-0.01482315	0.014832574	-0.7712151	-0.7488104	-0.99300593	0.025963003	0.24881823	-0.025061468	0.4059196	0.48248038	-0.7297387	0.08468153	0.09369911	-0.60582703	-0.34809348	-0.72288215	-0.11167023	-0.6410256	-0.85948193	0.0256659	0.7866463	-0.3341027	-0.25448576	0.09133499	-0.45171675	0.38179585	-0.31261286	0.12969796	0.006771257	-0.35056317	0.6748151	-0.9988954	-0.5110255	0.46615234	0.5701633	0.1388622	0.5829647	-0.2693508	-0.370194	-0.017320966	-0.24153043	0.7801261	-0.4623652	0.5450394	-0.005341743	-0.042902276	-0.4468782	0.22893596	0.95762014	0.43887317	0.7178212	0.99754214	0.056377735	0.63959426	0.35110697	-0.8624408	0.36574805	-0.15716435	-0.943632	0.5627794	-0.20548002	0.9988287	0.16126819	-0.8174592	-0.38779807	0.5557523	-0.11625932	0.9031503	0.95928687	0.6637931	-0.09890737	0.99403787	0.58541816	0.9591584	-0.5350497	-0.8149378	0.9907959	-0.97175235	0.5036567	-0.14041285	0.11849186	0.3096507	-0.14039215	-0.07800801	-0.40104532	-0.75501674	0.5458344	0.14198339	-0.20223734	0.41158336	-0.4234511	-0.6096241	0.26724896	0.33765882	0.5742793	0.37068906	-0.51050794	-0.00878258	-0.99998826	0.30991703	-0.034215443	0.5017057	-0.36198676	0.02329304	0.60302275	-0.84891903	0.21162465	-0.8176211	-0.5840284	-0.13932495	-0.30465588	-0.40326983	-0.15971257	0.20881984	-0.43994346	0.22373807	0.2204668	-0.006448826	0.16866319	-0.35439253	-0.3039983	-0.4397014	0.6076474	0.4178482	-0.20543683	-0.14508331	-0.13379326	0.19816227	-0.35872552	0.31785095	-0.9843468	-0.19367985	-0.566538	0.55455506	0.81892866	-0.50258267	-0.735197	0.99984854	-0.7357881	0.042126942	-0.5523946	-0.84177524	-0.69610775	0.72737515	-0.7498754	-0.06352276	0.2234647	0.31643465	-0.75218207	-0.0954636	0.6055191	-0.84656054	0.19842254	0.32078642	0.27148083	1	-0.73987013	-0.2545833	-0.12939715	0.29085252	-0.27688175	0.87840796	-0.619416	0.09030711	-0.26252705	-0.12821326	-0.665993	-0.088621795	0.2829195	0.37216848	-0.15051398	0.4844759	0.312527	0.49454254	0.49246496	-0.8855221	0.14351813	-0.78655237	0.9326071	-0.6559301	-0.52694243	0.788722	-0.17013462	-0.16957934	0.3092557	-0.6860066	0.6145899	-0.7122854	-0.69224083	-0.048379034	0.20815092	-0.19259349	0.5373767	0.19029075	0.056009486	-0.69125324	0.9999998	-0.051705383	-0.95006996	0.8287228	0.9998369	-0.23227265	-0.3975205	-0.99994844	-0.43788424	0.3023259	0.29162052	0.11421064	0.6666968	0.54328126	0.6200296	0.08979985	-0.22147274	-0.6820526	0.4239076	0.09465254	0.75761354	0.22923666	-0.999978	-0.9980346	-0.97485584	0.06506158	-0.27435178	-0.522048	-0.3296382	-0.6982621	-0.9219971	-0.3952315	0.14171338	0.029032996	-0.55424213	-0.116059594	-0.30510166	-0.51356333	0.06759655	-0.5593262	0.024555936	-0.7563848	-0.99988467	-0.5074455	0.2217622	-0.6875725	-0.0588473	0.366361	-0.9625864	-0.16245224	0.45770434	0.09156435	-0.55016005	0.006892076	-0.8696639	0.90244186	-0.41595957	-0.062125005	-0.07523733	0.87118274	-0.43395644	0.46713012	0.55083734	-0.41119397	0.39900637	-0.29751715	-0.35764337	0.17386468	-0.002273824	0.14625783	-0.2363131	0.13540722	0.06811284	0.812317	0.5907563	-0.31056923	-0.29899955	0.85240775	-0.5227821	-0.5000744	-0.22418602	-0.48304027	0.08403566	0.99936175	0.69154686	0.28127214	0.75249034	-0.54537237	-0.6867024	-0.38639954	-0.9843545	-0.3689437	0.6930784	0.31109682	0.61562884	0.36213726
152	0	CNC(=O)ON=CC(C)(C)SC	0.66374755	-0.57869685	-0.63850373	0.046287514	0.40758824	-0.39905998	0.21095307	0.5968656	-0.5451249	-0.046755165	0.34362352	0.39913923	-0.37082815	0.50959635	-0.23267415	-0.48016503	0.70872015	-0.41144267	-0.09298163	0.6974065	0.6041559	-0.33543783	-0.24825191	0.670706	-0.015178057	0.24065745	0.155786	-0.044135462	-0.3595755	-0.05298978	-0.07998571	0.6654272	0.47563565	0.11069872	-0.15172544	0.50769794	0.40771994	0.38342258	0.4820249	-0.78385246	-0.9147983	0.103814445	-0.2547306	0.32647347	0.47767866	-0.9900071	0.46254504	0.430537	0.99237955	0.6108824	-0.39273074	0.10127302	0.59045726	-0.27421278	-0.62331045	0.1732532	-0.3971419	0.92684406	-0.19060834	-0.03919289	0.25505516	-0.2675929	0.80416465	0.466898	0.3382052	0.24516408	0.4254561	-0.35834116	0.33343366	0.14625537	-0.21539462	-0.9980348	0.02074125	0.76260734	0.14500855	-0.67070925	-0.752358	-0.026760293	-0.35955223	-0.9998706	-0.16024835	-0.4733154	-0.400879	0.21862029	0.030095268	0.72318554	0.21486238	-0.4718012	0.1566069	0.34554183	0.04988955	0.51685774	-0.24180208	-0.6749082	0.99770427	-0.13035217	-0.70134383	0.6066808	-0.31832188	0.27050158	-0.77402186	-0.18237127	0.124070704	-0.2790269	0.75770545	-0.8711736	0.67675155	-0.0918461	-0.9377734	-0.6102945	0.15708499	-0.26718497	-0.22246961	0.17405958	-0.44834888	-0.27282462	0.31198314	0.08870009	0.99919724	-0.76395583	0.11040462	0.3673549	-0.112216145	-0.09246657	-0.28546607	0.42239064	-0.054685317	-0.45498848	-0.22508867	0.99122834	0.6691441	0.22510627	0.35395324	0.24561852	0.2660022	-0.97954196	-0.5698506	-0.22081229	-0.07607262	-0.3605889	0.9966167	0.54895157	0.9383038	0.5326213	-0.32680595	0.014230217	-0.21278983	-0.2520524	0.9289164	0.1262431	0.38555124	-0.39307395	0.26039776	-0.5159324	0.21284321	0.2225961	-0.57792044	0.998137	-0.42740372	0.2915016	-0.9866987	-0.85920745	-0.27247426	-0.15047704	0.113463975	-0.55402803	-0.015071397	-0.3152337	-0.18420108	-0.6814023	-0.43729708	-0.3543757	0.7182775	0.37982267	0.28263038	-0.6789945	-0.7206182	0.23609665	-0.477226	-0.48374003	0.45713374	-0.8743129	-0.108786285	-0.29867902	-0.52569675	-0.27197787	0.40737227	-0.4391315	0.67392945	-0.51375616	-0.3485907	0.09962594	-0.061829425	-0.2642949	-0.035645727	-0.43624574	0.5447821	-0.7981131	-0.6960056	-0.56693697	-0.06019334	-0.8707921	0.21171449	-0.35365778	-0.3391798	0.03082501	-0.31132257	-0.6060693	-0.17385535	-0.99522	-0.19937918	-0.5102177	-0.30558875	0.41574016	0.15369456	0.65659636	0.6164152	-0.486622	-0.12338217	0.6560144	-0.24277815	-0.0696911	0.60120326	0.2673355	-0.94241524	-0.0821759	0.05208536	-0.36996365	-0.14824295	0.07589657	-0.27210063	0.064033315	-0.012022508	-0.42365626	-0.51216567	-0.18931784	-0.5074863	-0.34533593	0.052103538	0.026904132	0.7809716	-0.09510501	-0.24540238	-0.48548004	-0.68112826	-0.54967326	0.55499893	-0.6117336	-0.1482009	0.67000794	0.727183	-0.9997484	-0.266354	-0.091240235	-0.00266371	-0.30552745	-0.641888	0.276034	-0.578508	-0.25067574	-0.2307857	-0.30224913	-0.275406	0.026737103	-0.3480135	0.22228394	-0.38322574	0.45507032	0.37504676	0.47156686	-0.18001334	0.99891853	0.11922849	0.050164275	-0.4730722	-0.9137927	0.038416967	0.26559624	0.33515722	0.10665988	0.38716727	0.9992039	-0.5305717	0.17257036	-0.5525877	-0.40663534	-0.52715695	-0.5930946	-0.89982593	-0.1350652	-0.66115993	0.9994053	0.20910975	0.69855076	0.56946695	-0.07345412	-0.99755585	-0.6466924	0.60351354	0.22455125	-0.114226826	-0.2540138	0.11455036	0.1253285	0.6174515	0.49550352	0.993038	-0.083617926	-0.14373998	0.63728464	0.24539162	-0.338961	-0.46765402	-0.51211584	0.4815908	-0.5144959	0.18130073	-0.26205832	-0.8909453	0.642232	0.3077053	-0.2977204	0.0498742	-0.4286315	0.6763395	0.14921303	-0.36888522	-0.6356261	-0.5904693	0.11711713	0.31701073	-0.21310095	-0.47224945	0.37664047	-0.056822836	-0.83918554	0.06096933	0.2734042	-0.13930833	-0.23865879	0.39196014	-0.38140842	-0.8137464	0.66840196	-0.35986498	0.09236543	0.025629308	0.4596008	-0.091253236	0.8878653	-0.98945755	0.36081472	0.38986328	0.2804731	0.37065828	-0.23410809	0.36891586	0.99978477	0.30760276	-0.6079869	0.21624304	0.26982364	0.05269526	0.008506955	-0.1761472	-0.27140042	0.59263366	0.47376046	-0.316344	0.3512931	0.23563996	0.25396416	-0.16492166	0.58964527	-0.16896519	1	-0.23141856	-0.10144439	0.41897672	-0.061787914	-0.8415744	0.74969965	0.7462395	0.5672631	0.7141051	-0.50064945	-0.22817497	0.696269	0.50320476	0.23219582	-0.41388884	-0.24133223	0.2906168	0.17941645	-0.2071972	-0.9057865	0.45136586	0.55392414	0.016987104	-0.066943854	-0.08245644	0.22758183	0.38602692	-0.4626574	-0.19853114	0.30055696	-0.51984924	-0.2022882	-0.10507204	-0.52541506	-0.3880804	0.65960443	0.606814	-0.20859137	0.3719898	0.090607435	0.99984884	-0.32298326	-0.8507654	-0.06419003	0.9989047	0.10289343	0.55693626	-0.9973815	0.074018896	-0.20000793	-0.22326155	-0.48584113	-0.79703486	-0.5967033	-0.22743458	0.61969924	0.25503913	-0.47666046	-0.6854152	0.20389096	0.4789814	0.13567883	-0.9998953	-0.99999994	-0.9946449	-0.7644136	0.46663642	-0.40908772	-0.039711624	0.5722599	0.19610573	0.5108946	0.42802465	0.20193702	0.2918069	-0.6590554	0.5052222	0.8287024	0.5037519	-0.27119592	-0.17019232	-0.9845297	-0.99981964	0.3325271	0.20504697	0.09794642	-0.439121	0.54811454	-0.5931738	-0.15626276	0.21174349	0.22912773	0.5564408	0.07755105	0.47866762	-0.8861877	-0.3343669	0.43999222	0.13669051	-0.51780903	-0.11419791	-0.24933401	0.3906204	0.69071376	-0.56583756	0.7084652	-0.98783284	0.12860692	0.3409083	-0.3493398	-0.4568337	-0.25068313	-0.46776178	0.43619555	0.28138477	0.5987806	0.5566063	-0.6383227	0.26444238	0.6242025	-0.2365206	0.44649452	0.2019328	0.99996585	0.072613105	0.44355074	0.2775822	0.09977015	-0.34877896	-0.262307	-0.737253	0.4832864	-0.21602924	-0.38832355	-0.48881778	0.10489433
153	1	ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl	-0.34224495	-0.52439886	-0.16164683	0.62469846	-0.26213998	-0.8277088	-0.06414753	0.13376698	-0.06765642	-0.9614921	-0.16401778	0.03413036	-0.25259486	0.6355705	0.32246587	-0.85481125	-0.666253	-0.10583694	0.4206011	-0.057582237	0.20972642	-0.3180658	0.6131494	-0.39924547	-0.18075843	0.7154996	-0.5454887	0.29804274	0.9247518	0.47257757	0.64991903	0.7141991	-0.29609615	-0.08584049	0.41271377	0.09086299	0.20579033	-0.20052269	0.9983733	-0.9076886	-0.49289018	0.12001222	0.5753493	-0.72639954	-0.27576002	-0.7019429	0.32544357	-0.48436296	0.99827504	-0.7819996	-0.59472805	0.29552606	-0.39295772	-0.07696843	-0.9371493	0.25185806	-0.8169481	-0.5551093	0.22074033	-0.079129115	0.6600215	-0.189513	0.19339877	0.61589557	0.40252286	0.3988069	-0.41822317	-0.38579944	0.724771	-0.21331151	0.8425313	0.5578824	-0.050598342	0.9094858	0.81249934	-0.83871853	0.1292603	-0.000413428	-0.71936	-0.9973467	-0.39688566	-0.33498406	-0.2896904	0.16915604	0.40828204	-0.8514162	0.26771006	-0.19565201	-0.46317273	0.55320364	0.24764206	-0.21230368	0.7205763	0.40142176	0.57053506	-0.20814514	0.85882366	-0.52480394	0.07600815	-0.70285666	0.63372487	-0.41875985	0.7567221	0.18261942	-0.98909456	0.8977016	-0.51696825	0.33005327	0.9886084	-0.4511791	-0.114014275	0.32263166	0.2915513	-0.48943055	0.47604433	-0.18823595	-0.032180466	0.7282097	0.995873	-0.15718208	0.44002762	0.36207712	-0.577671	-0.17381154	0.26626432	0.3024456	0.6804387	0.86105937	-0.6429621	0.9999464	-0.17974636	-0.2894751	0.8349921	0.33217016	0.9138596	-0.9409941	0.7300837	0.3984042	0.7277535	-0.43635568	-0.99975944	-0.30559936	0.9871614	-0.5086375	0.7759206	0.26060602	-0.10012245	0.79621404	-0.8543217	-0.5500942	-0.4754396	-0.7973132	0.8878308	-0.619243	-0.56606895	-0.4175371	-0.3203455	0.6169965	-0.86796856	-0.8885875	-0.72483706	-0.573773	0.63151187	0.3578924	0.583739	-0.18344817	0.55719054	-0.2579017	-0.10751006	0.09333334	-0.9301593	0.13389899	0.25367978	0.43522942	-0.3824609	-0.77794665	0.066423394	0.72009915	0.8408105	-0.041393302	-0.05689593	0.87712616	0.41243804	-0.057563882	0.3376994	-0.7096823	0.49035376	0.68831575	0.008557078	-0.32298815	0.2751239	0.2564966	-0.33029547	-0.71444374	-0.45474243	0.24636056	0.49527177	-0.62787884	0.36230043	0.72444427	-0.033501092	0.6180585	-0.26694128	-0.6029644	0.10471002	-0.37197137	-0.050846685	-0.25091067	0.23889494	-0.9997758	-0.4725968	-0.25039288	0.6592057	-0.14363776	-0.14505307	-0.2574388	0.3626788	-0.9006399	0.39129284	-0.036161374	0.1211761	-0.5670925	-0.55866224	0.41841808	-0.9913261	0.6001371	0.48337057	0.55106294	0.37144926	0.32175177	-0.8212569	-0.3775657	0.30852565	-0.6227719	0.069870405	0.07654042	0.78966	0.5719792	-0.6430049	-0.61064076	0.8536266	0.5722859	0.5721027	-0.30701625	-0.75244105	-0.014634473	0.25067866	-0.53446746	-0.43577373	-0.8015214	-0.23859565	-0.41036972	0.4297289	-0.1812545	-0.42369875	-0.71908706	0.12076262	-0.19045447	-0.24478701	0.4046733	-0.62052447	0.096812636	0.3527624	-0.4803249	-0.2250135	-0.112803586	-0.61332566	-0.70165503	0.9367879	0.4560563	-0.5784184	0.9997939	-0.15770037	-0.46585885	-0.17765412	0.7758283	-0.59245425	-0.91073346	0.19446872	-0.9398189	0.6802765	0.99822253	0.4798079	0.6496248	0.18584484	-0.4908019	-0.8790684	0.92151433	0.8277235	0.15775363	-0.5795789	0.9719714	-0.31040865	0.4160705	-0.022006633	0.53280175	0.9999965	-0.99777734	0.15559277	-0.19206579	-0.2260498	-0.37144962	0.6862527	0.33869544	-0.74476564	-0.91885	-0.53471184	0.65685403	-0.48807457	-0.5007288	0.25748205	-0.4147733	0.49211827	0.25932485	0.96342707	-0.75350213	-0.7440793	0.638632	-0.9999026	-0.2979655	-0.032114115	0.5305902	0.9131002	0.19270487	-0.7594215	-0.64782614	0.2001899	-0.9288902	0.27490073	0.5158803	-0.39691806	-0.28920844	-0.06266271	0.44296154	0.12136545	0.97546387	-0.16221888	0.09249117	-0.5868156	0.05954216	-0.17739658	-0.9053694	0.41373894	-0.7985753	0.22327916	0.55901426	0.13333797	0.06789112	-0.5224235	-0.53186363	-0.95753366	0.369478	0.44740424	-0.043809358	0.7333815	0.40105292	0.41776872	0.9997552	-0.16909869	0.46542224	-0.5611086	-0.61578745	0.57067883	0.77053	-0.91697365	-0.10539651	0.7042511	0.9428155	-0.4366578	0.34129196	-0.3841884	0.22828908	0.7767377	0.065742515	0.27938214	-0.9999952	-0.3681844	-0.5296801	0.15097989	-0.52008086	-0.9110753	-0.20484836	-0.013265197	-0.22349599	-0.75764143	-0.30392247	-0.7776331	0.72617304	0.56456894	-0.7947052	-0.25206703	0.43748668	0.28590548	-0.1122563	0.27218404	-0.13091463	-0.07276026	-0.81873316	0.93656206	-0.88849026	-0.8424679	0.2606169	-0.488926	0.7540013	-0.13757028	-0.41605532	-0.3801447	-0.6013002	-0.57821834	0.31530792	0.7971267	0.28080922	0.17852645	0.05757984	0.3441902	0.40511528	0.99999905	0.033217475	-0.9087317	0.6921862	0.9969464	-0.620738	-0.59513867	-0.99985474	-0.000753734	0.21099721	0.3491369	-0.49152404	0.010628974	0.27029267	0.44305247	-0.92180055	-0.66993535	0.29722512	-0.13412437	-0.40888485	0.05804227	0.049017593	-0.99999714	1	-0.90957826	0.5945113	0.4125287	0.8153507	0.1298453	-0.60573894	-0.8180311	0.5342805	-0.49118158	0.28947636	-0.3297742	-0.25252575	-0.21854374	-0.3282536	-0.13318609	0.38115025	-0.6625028	0.16020556	-0.9999134	0.14253402	0.32936224	0.23423214	0.24755907	-0.23240688	-0.9953861	-0.82353467	-0.340437	0.2997649	0.2920074	-0.22965628	-0.12960978	-0.6724029	-0.24414021	0.3465696	-0.23468882	0.14207615	0.43827572	-0.068711884	-0.38820234	0.20993008	-0.75180686	-0.93943435	-0.99941254	0.016429996	0.002864328	0.10847461	0.57371616	0.17014262	-0.5211706	-0.90544826	0.106180735	-0.44993156	0.13210128	0.9700558	-0.23202297	0.17429642	-0.35584646	0.30817896	-0.225582	0.99916637	0.44468635	-0.4389389	-0.3726788	0.31397557	0.5269687	0.31743938	-0.99587387	-0.5500848	0.48107612	0.8583631	0.6472121	0.15562266
154	0	COc1cc(S(=O)(=O)[O-])c(C)cc1N=Nc1c(O)ccc2cc(S(=O)(=O)[O-])ccc12	0.8505068	0.29790086	-0.4830689	-0.019157434	0.06443856	0.19042969	-0.40551835	0.59176004	0.048420496	-0.23636024	0.09228167	0.3209015	-0.14626451	0.505558	-0.507157	0.7005096	-0.24508286	-0.6222029	-0.799458	-0.737504	0.85381126	0.74662286	0.77759916	0.94064814	-0.26986238	0.041174904	0.56286615	0.0904925	-0.53180677	0.3308291	0.43276036	-0.049279895	-0.86013466	-0.262046	-0.22672191	-0.4696392	0.70181733	0.41397512	0.99986804	0.46480432	0.11632234	-0.41723844	0.26098365	0.09293475	0.30219042	0.9589675	0.8596964	0.4224404	0.9624617	-0.1239243	-0.25087819	0.28026593	-0.6121472	0.021312833	0.12909473	0.57145035	-0.8636189	-0.9767887	0.6294482	0.12750253	0.106372185	0.5008647	-0.45261046	-0.7962913	-0.80683154	0.7497111	-0.14690623	-0.20406678	0.5168252	0.8278652	-0.7368946	-0.97637767	0.19861202	-0.77062804	-0.86772436	0.70755947	0.30689004	-0.9175185	-0.34557074	-0.99990153	0.04594284	-0.119287856	-0.9487327	-0.10470512	-0.19282496	-0.33679944	0.1363645	-0.008709976	-0.3937149	0.18460935	0.085746594	0.1921805	0.030329593	0.39288437	0.9999796	-0.030371794	-0.8633519	-0.40305752	0.22089453	-0.37621608	0.7156848	-0.74015814	0.34463793	0.6990734	-0.9998038	-0.9756364	-0.43910226	0.80107766	-0.8301149	0.81406194	-0.7082386	-0.599536	-0.6440095	-0.20997208	-0.27185223	-0.55737764	0.8305462	0.06521204	0.62606686	-0.7544665	-0.3531482	-0.123528	-0.71652925	-0.06464364	-0.88148946	-0.28257108	0.41808724	-0.121652775	0.30563623	0.9921066	-0.100182265	-0.004748038	0.06089509	-0.5811532	-0.09464671	-0.45718864	0.27801666	-0.3695631	-0.55890954	-0.4581709	-0.99999565	-0.37753415	-0.969185	0.1442985	-0.6970954	-0.69534105	0.14409207	0.5228377	-0.9996887	0.17114116	0.45337614	-0.5234076	-0.7660211	-0.72542584	-0.08958458	0.48503783	0.16335264	-0.9945028	-0.7691448	-0.956228	0.51928294	-0.16455843	-0.3452395	-0.15049413	-0.26653603	0.26090384	-0.6541625	0.46907756	0.29848066	-0.16167086	0.68576455	-0.55417925	0.017795458	-0.5902215	0.7735416	0.048831083	-0.64211804	-0.021492742	-0.57333535	-0.44385543	0.6577442	-0.9999964	-0.59113574	0.34597367	0.98934615	0.57215714	0.14205132	0.08529336	-0.20071892	-0.8037247	0.4829505	-0.22167683	0.1755543	-0.90145	-0.41484654	-0.61359715	0.62535477	0.86903286	-0.68525714	0.21904689	-0.62395054	-0.06385199	-0.14157099	-0.46024534	-0.20384589	0.14840855	-0.32224318	-0.25577852	0.13772617	-0.999849	-0.14489661	-0.29304686	-0.75171846	0.43936357	0.8523456	0.30865046	0.13919576	0.33178958	-0.6149022	-0.053207915	0.47712538	0.13874683	-0.23565009	0.8117169	0.97276694	-0.11499038	-0.4869917	0.22487073	0.43314114	0.15964884	0.3844427	-0.5242834	-0.079992026	-0.6235802	-0.68030185	0.19834122	-0.065153085	-0.33369365	0.25718927	-0.16891089	0.19832556	0.6846169	0.6272934	-0.25539166	0.60374963	0.74927676	0.67942506	-0.5009446	-0.7470739	0.25119483	-0.39813414	-0.7514311	-0.58943695	0.77694637	-0.8225445	-0.09988304	0.076831095	0.5745702	-0.44852716	0.6235593	-0.3371786	0.47740474	0.38661996	0.32821277	0.6269567	0.9213537	0.49934822	0.2717651	0.73831487	-0.25044653	0.17651863	0.99956995	0.3853252	-0.12862384	0.8782762	-0.54462975	-0.6253763	0.57338697	-0.2334371	0.1764974	0.60845685	0.64424837	-0.90462226	-0.004828117	-0.29136875	0.6356029	-0.098951645	0.51731217	-0.8871775	0.30708945	0.01677991	-0.8155739	-0.6260624	0.55434316	0.48866212	0.17573191	0.99999905	-0.11205415	0.21449947	-0.72287714	0.43809474	0.7908167	-0.93077385	0.10914973	-0.09723857	-0.4440879	-0.9992182	-0.27676558	0.18044072	-0.5433004	0.69294137	-0.3651894	0.79472744	-0.6846501	-0.9991036	0.6039172	0.34999776	0.5584756	-0.9480275	0.16976684	0.07747065	0.043185525	-0.3595093	-0.8899918	0.3215616	0.6264701	0.3443348	-0.2392114	0.3540474	0.28800434	0.6871708	0.1387086	-0.2596609	0.29035395	-0.36212054	-0.74743474	0.57961637	-0.55521506	0.54467344	-0.5053632	0.58176446	0.089483656	-0.4039188	-0.01796914	0.41476184	0.21690346	0.42879125	-0.71917486	0.6436343	-0.9902168	0.6937371	0.5961584	0.7126005	0.47789934	0.11380327	0.6556121	-0.12677114	0.9991842	0.18019716	0.6710348	0.3173584	-0.32370326	0.041015893	0.00014006	-0.47284365	-0.6577822	0.04184888	0.3928031	0.17737712	-0.0398495	0.7660305	0.23559822	0.82042944	-0.6853636	0.58094186	-0.9797056	-0.20035632	-0.18172017	-0.03465738	0.026316814	0.45684543	-0.12936229	0.15431295	-0.46082506	0.5510126	-0.4405454	0.4204602	-0.41179273	-0.26989552	0.86381406	0.62111336	-0.48527417	-0.2848904	0.4904227	-0.097520806	-0.8839754	0.6361784	0.48321995	-0.41678658	0.96467465	0.9994598	0.5028542	0.66293603	-0.29391342	0.6314222	0.15458424	0.77599114	0.9991785	-0.16015713	-0.027901284	-0.5618757	-0.34451807	-0.65522736	-0.50319284	0.42488918	-0.09803487	0.99950314	-0.74737436	-0.9335445	-0.008235844	0.99668646	-0.669393	-0.40578943	-0.99936855	-0.20750616	-0.79632604	0.5426013	-0.58087146	-0.636911	-0.9349044	0.36790708	0.5239907	-0.7192447	-0.7734833	0.4413973	-0.2922823	-0.20086418	-0.17206384	-0.9992821	0.9999993	0.7204353	0.23987514	0.089700036	0.7227615	-0.82819545	0.7790255	-0.47916818	-0.38939908	-0.47709522	-0.14363912	-0.8551769	0.23342206	-0.53420836	0.035195652	-0.635418	-0.038439892	0.35360122	0.9787636	-0.99137497	-0.2131524	0.31614769	-0.42233363	-0.7496542	-0.09313629	0.9959406	0.96053976	0.56620336	0.23602445	0.13727587	0.31769857	-0.8183102	0.98651886	0.07514243	-0.4182241	-0.3952903	0.1256186	-0.39658234	0.9192515	-0.8013737	-0.7575225	0.14944237	0.93330264	-0.99816626	-0.37544394	-0.88701975	-0.20129159	-0.058871318	0.17723279	-0.26584783	0.88648456	-0.111201644	0.6538456	0.2896137	0.99962157	-0.14196092	0.2397855	-0.85279095	0.18307675	-0.5035683	0.9992467	0.15433398	0.40555918	-0.83697635	0.59786373	-0.31994116	-0.1466586	-0.9971422	-0.09641007	-0.8455102	-0.2763077	0.02189493	-0.8100067
155	0	CCNc1nc(NC(C)C)nc(SC)n1	0.19815992	0.57378423	0.16915408	-0.1718661	-0.5418928	0.34053418	-0.3627262	0.35947594	-0.19111517	0.39184266	-0.5972314	0.15326487	-0.33345065	0.50576544	-0.53575754	-0.62321335	-0.51679313	0.07672085	0.02864366	0.2908586	0.076235086	0.06330742	0.4077762	0.31126526	-0.55277836	0.3452849	-0.3906491	-0.08717186	-0.14460248	-0.33054134	-0.34316358	0.57007855	-0.5166939	0.16736427	-0.54502374	0.3468005	-0.26563975	-0.100240536	0.8800036	-0.89446056	-0.9429421	0.07503064	0.43031254	-0.10925237	0.09803484	-0.98149616	0.3999615	0.06082348	-0.42774472	0.30793595	0.2081023	-0.0066402	-0.46499318	-0.43687508	-0.73649263	0.54140586	-0.35458228	0.76653546	-0.3202778	-0.279784	-0.0785631	-0.13143748	0.22800191	-0.51386505	0.3138737	0.35337657	-0.07902578	-0.04751819	-0.26498288	-0.03967114	-0.9691488	-0.9971482	0.34198213	-0.46267492	0.3818853	-0.6742354	-0.51043284	-0.25324833	0.04080073	-0.99722475	0.02541239	0.26815432	-0.8859094	0.31957754	0.66318727	0.26859686	0.3350102	0.43766648	-0.004791226	-0.34357807	0.06982569	-0.21624419	0.58097786	0.0978831	0.9925455	-0.6988639	-0.3887821	-0.30251324	0.2034775	0.038738944	0.10099348	-0.117327705	0.39107406	-0.4357112	0.22782259	-0.98786	0.22358245	-0.3215558	-0.9971254	0.036355395	0.2309086	-0.12664393	-0.72766894	0.1056652	0.12000608	0.37286124	-0.569528	0.17699073	0.99928147	0.37241504	-0.36022094	-0.4017248	0.8455884	0.50414366	0.015766695	0.024931818	0.34629944	-0.20414558	-0.4243282	0.9793791	-0.57843745	0.12049421	0.15634952	0.4006519	0.51707363	-0.9428537	-0.82221574	0.3992107	-0.54848796	0.7663662	-0.9967395	0.3724788	0.8859329	-0.22313325	-0.3357848	-0.28166398	-0.5535546	-0.15170272	0.9498566	-0.39271238	0.68323886	0.5315842	-0.4643259	-0.32167557	-0.045988135	0.106128186	0.41637215	0.9943663	-0.7807734	0.9240352	-0.98062885	0.5722711	-0.19467027	0.11047299	-0.7166091	0.07051329	-0.2009493	-0.5804062	-0.6507026	-0.5861279	-0.2863583	0.15287922	0.009633786	-0.7147861	-0.30172446	0.3955155	-0.64474446	0.33956832	-0.9333407	0.23726879	0.09664998	-0.75902563	-0.6682496	0.10271719	-0.4024056	-0.041802533	0.84510124	0.32551292	-0.6966181	0.15079226	0.96259004	0.7476162	0.57866347	0.5783703	-0.3361351	0.03819395	0.185438	-0.76049817	-0.39823735	-0.0166275	0.2525576	-0.10486461	0.038374327	-0.3241199	-0.637569	0.15991253	-0.17830142	-0.055694822	0.740521	-0.99323034	-0.3035815	0.1250029	-0.24158823	0.41899183	0.5124467	-0.5600139	-0.3614183	-0.56301564	-0.06741291	0.3970569	0.20292135	-0.69199824	0.36195058	0.27151486	-0.95469296	-0.20085989	-0.06780924	0.3099213	-0.14766076	0.21865965	-0.13980573	-0.08257568	0.13441719	-0.16351092	-0.33850986	-0.31650323	-0.6915197	-0.10453224	-0.25112307	0.32833582	0.9544288	0.15946743	0.06906515	0.33893156	-0.14945953	-0.6775673	0.4152303	0.08928608	0.36389822	0.04398124	-0.8775915	-0.9990215	-0.4685395	-0.71442944	0.043058548	-0.29591975	-0.24383235	0.518545	0.54527724	-0.64608335	-0.3871839	0.18256181	-0.48071685	0.1287505	-0.44963273	-0.099590346	-0.5107072	0.3128703	-0.94425356	0.4966739	0.17403504	0.8896273	-0.6268027	0.07614979	-0.03457826	-0.9617648	0.65126485	0.8839486	0.70916396	0.46988893	-0.16092011	0.99921817	-0.19274837	-0.23609324	-0.14662349	0.3353779	0.4021026	-0.922936	-0.92381126	0.02896368	0.60878694	0.99882513	-0.32358953	0.95487493	0.7545458	-0.32861972	0.99712384	-0.7192965	0.00606868	0.32351503	0.00723443	0.52819467	-0.40623373	-0.6350703	0.9314309	0.97011644	0.9433272	0.4824057	-0.39551023	0.38404825	-0.48998374	0.46739954	0.2590594	-0.3833358	0.69499594	-0.10759975	0.016390527	0.08526282	0.94146645	0.14250855	0.1339972	-0.53559566	0.32314596	-0.6695526	0.25409403	0.010100022	0.15520744	-0.29269892	-0.13102786	-0.2459262	0.540924	-0.28880823	-0.13479657	-0.6631137	0.058990035	-0.779986	0.16614486	0.10242214	-0.61351985	0.16758785	0.28413904	0.54649276	-0.47578222	0.24293362	0.44149786	-0.28096232	0.46001855	0.35455772	-0.210438	0.6532561	-0.98654044	-0.5367227	0.12369881	0.33193368	-0.29599383	0.08135855	0.19903612	0.9987683	-0.29925525	-0.19736071	0.30656335	-0.6284333	-0.29116428	-0.5555226	0.20855872	-0.40298688	0.5885053	0.4198576	-0.7442214	-0.03807324	-0.12499352	-0.11496518	0.27436125	-0.30304652	-0.2017181	1	0.48787433	-0.093169495	-0.56253874	0.18818308	-0.14095475	0.6501122	-0.586501	0.4640282	-0.30511823	0.2222681	-0.7452778	-0.55257344	0.067204505	0.78627104	0.048117373	0.3843447	-0.2319311	0.12243535	0.19022517	-0.5622565	0.5294116	-0.14269038	0.3226686	0.26771632	0.313571	-0.19290625	-0.109984554	0.16926228	-0.34633458	0.026020288	0.36956295	0.1567868	-0.038925428	-0.403094	0.23779066	0.74555665	0.18793628	0.7322808	0.30346775	-0.17506032	0.9449151	0.5908625	-0.9286127	-0.18267997	0.9962252	-0.12054202	-0.12573874	-0.9765373	0.40811053	-0.015517736	0.5868327	0.5147585	0.09518149	0.49606115	-0.014509286	0.35067803	-0.29104295	0.27377516	-0.74278593	0.012751958	0.59924674	0.39681843	-0.9999305	-0.99894804	-0.98724115	0.3465593	0.5710201	-0.28961822	0.49435514	0.2713253	-0.73166674	0.48305327	0.76212627	0.3257775	0.48688704	-0.6239581	0.3712932	-0.35416594	0.6492985	0.32089865	0.24492024	-0.9072949	-0.9998991	-0.18183187	-0.09984128	0.3794824	-0.08882049	-0.30856746	-0.5238753	0.52383536	0.48892352	-0.27650192	0.14547727	-0.72250015	-0.25074545	0.9502839	0.272653	0.4838307	-0.36741865	0.2560431	-0.3277316	-0.6416454	0.5861638	-0.05137511	-0.540508	0.770241	0.69855	-0.041993957	0.30295682	-0.16763344	-0.19874053	0.12467885	-0.47053015	0.6278309	-0.17727947	-0.34482834	-0.19852819	0.07120035	-0.32188162	0.60903895	-0.0985968	0.3770453	-0.37564412	0.9999297	0.21556334	-0.15335132	0.536514	0.4398185	0.21011996	0.03710339	-0.8625237	-0.122516364	-0.91203535	-0.47002643	-0.7732976	-0.4447776
156	1	NC(=O)[O-]	-0.77297604	0.15881772	-0.7902147	0.19462383	0.1564881	0.07433535	0.039233677	-0.20007011	-0.006300726	0.07775814	0.39968103	-0.60708237	-0.29452962	-0.48648152	0.17698376	0.42165208	-0.18404211	0.0067819	0.16407168	-0.09108266	0.71030277	-0.89342225	0.2533406	-0.19119005	0.36958504	0.012690434	0.68995357	0.117654555	-0.18585299	0.38922974	0.44032165	0.7739332	0.68371946	-0.09988613	0.22596698	-0.5706251	-0.35026282	0.9342161	-0.97158235	-0.24555892	-0.97561103	-0.5514608	0.15194374	-0.49884853	0.3658232	-0.99149436	0.72561324	0.15791146	0.97513163	-0.52627873	0.13102311	0.27897024	-0.27819508	0.2635885	-0.8564692	-0.0738507	-0.006105671	0.94362646	0.094643116	-0.21446016	-0.65930814	-0.2803288	0.107697785	-0.5003331	0.40140238	0.501416	0.15880857	-0.3964317	0.049886517	-0.59898627	0.5136052	-0.99992204	-0.33848563	0.7845002	-0.88573813	0.86743444	-0.03872329	-0.111176305	0.4721013	-0.99968034	-0.49292117	-0.60549146	-0.91220784	-0.6588899	0.16456628	0.99491173	0.87450266	-0.5835305	-0.28716743	-0.12491325	0.22773132	-0.23591363	-0.45460817	0.08176478	0.9219642	-0.36403567	-0.98263055	-0.5827807	0.5551618	-0.5583663	0.5637377	-0.58220226	0.09462869	-0.93002033	0.9927579	-0.21282583	0.7308939	-0.038835544	-0.91214293	0.5506967	-0.5062086	-0.20770898	0.3167604	-0.49139714	-0.0990403	-0.38282615	0.013082546	0.23312278	0.99723774	0.26546797	-0.39911675	0.31266838	-0.65591854	0.10787668	0.12696694	-0.18775125	-0.68999773	0.027882809	-0.00222503	0.30694115	-0.2825604	-0.24942239	0.27296683	0.5502223	0.10607837	0.43583098	0.14796776	-0.57689583	0.24867994	-0.22247833	0.99651474	-0.045054033	0.6212589	0.53320634	-0.25848415	-0.00794145	0.6131043	0.11535014	0.9972378	0.081130765	-0.20804323	0.45361644	-0.38718635	-0.46278983	-0.2568517	-0.14557068	-0.15823263	0.99805075	0.7289886	-0.17358004	-0.9862475	0.3247223	0.22001983	0.05113549	-0.08137508	-0.1324436	0.47868603	0.45871487	-0.45646435	0.062431965	-0.80836236	0.72513396	0.36781472	-0.43635243	0.7469716	-0.8938361	-0.52185494	-0.7981804	0.47322235	-0.35683373	0.55401295	-0.9943039	-0.06301448	-0.38518873	-0.77158636	0.20986934	0.48426643	0.47406444	-0.045185372	-0.11541662	0.35396904	0.5525587	0.09531473	-0.2101326	0.48602596	-0.45903352	-0.015048415	0.4131306	-0.5104828	-0.69069636	-0.8248584	-0.12905872	-0.77243495	-0.6697173	-0.22152838	-0.16707455	0.004217418	0.5051301	-0.20778964	0.972864	0.23704818	-0.47363544	-0.028405702	-0.74334556	-0.1463272	0.82895595	0.1340959	-0.44865093	0.4300117	-0.1511498	0.21289584	0.41328466	0.46377376	0.34146202	0.99725735	-0.2012443	-0.24457902	-0.04662754	0.43459323	-0.5764413	-0.6011064	-0.7379694	0.12046579	-0.4294152	-0.0894788	-0.59549445	0.025583996	0.5845053	-0.24254578	-0.20448221	-0.8607194	-0.21394002	-0.35388806	0.38534793	0.22173479	-0.06803252	0.13746524	0.19779156	-0.375438	-0.19313194	0.7066441	-0.9986661	-0.24421558	-0.29871392	-0.49933213	0.41524267	-0.10330583	0.1481919	-0.25813735	0.34066537	-0.4483962	0.6636377	-0.37371904	-0.2706351	-0.09049218	-0.24025701	0.32969794	0.7565108	0.7733946	0.19718464	0.006056733	-0.8601796	0.59411085	0.28879544	0.52918565	0.9752808	-0.20733525	0.14033945	0.2264348	0.552572	-0.36346075	0.9971903	0.029332226	0.5028744	-0.46210632	0.4843648	-0.81425494	-0.9678073	-0.8823535	-0.033828344	0.49847957	0.9969107	-0.68993866	0.6743419	0.51902324	0.2675067	-0.9936003	0.94243306	0.46095547	-0.50652474	-0.0950775	0.2578771	0.09448954	0.16649966	-0.007952943	0.63442445	0.99957526	-0.03065126	-0.5617401	-0.46686736	-0.53155524	0.18015705	0.46622485	-0.073942736	-0.7776677	0.5886818	0.37877196	-0.18163314	-0.9410407	-0.3838831	-0.3130887	0.29379806	-0.42453176	-0.24470901	0.07001877	-0.34137413	0.037140325	-0.4779977	-0.18571067	-0.39716822	0.35219383	0.16236998	-0.015138876	0.7746052	0.025534216	-0.9596053	-0.50639874	-0.3965859	-0.66288453	-0.56147474	0.08838203	-0.23171932	0.12513527	0.6705637	0.42589337	0.4021072	-0.1043671	0.39597392	0.7935776	0.9698308	-0.9728663	0.57561046	0.45609957	0.0889879	-0.5257062	-0.06481325	-0.51234746	-0.6549015	-0.14894485	0.43826368	-0.72552466	0.66816777	0.37479958	-0.08949157	0.75117874	0.41490373	0.1644603	-0.7588548	0.19353205	0.42590392	0.4724097	-0.54459643	-0.026931537	0.94469506	-0.051374726	1	-0.60014445	-0.24226902	0.6183548	-0.07090458	-0.9238981	-0.028497359	0.37403086	-0.5676777	0.52287084	-0.16491227	0.10159221	-0.091007136	0.3146528	0.13600369	-0.49857232	-0.5905879	0.000605533	0.053585332	-0.6569401	0.10894292	0.711937	0.8958398	0.767325	0.9548339	-0.00083135	0.46137285	0.22349656	-0.8376276	-0.38475692	0.012453476	-0.48713982	0.9597621	-0.16999239	-0.40781656	0.540412	0.14156616	0.22693773	0.54781055	0.33110267	-0.3381308	0.9997771	0.28693134	-0.9696668	-0.010994765	0.59817964	-0.68755466	-0.11975782	-0.9955215	-0.6557871	0.61107713	0.2989512	-0.020027312	-0.7878307	-0.09369595	-0.4261854	0.9882919	-0.08726339	-0.64796764	-0.5692235	0.154047	0.25632498	0.28045946	-0.9997797	-0.9999982	-0.9941136	-0.36850342	-0.7066038	-0.028731942	-0.28581724	0.67449856	-0.6198042	0.062374108	0.3280077	-0.57686275	-0.232503	0.12560785	0.49186072	0.46969274	-0.5042424	0.36528644	-0.5554483	-0.9936873	-0.99976003	-0.22823566	-0.067217045	0.082972206	-0.556371	0.26331487	0.47612956	-0.3091665	0.18283129	0.2353213	0.064207904	0.2955947	0.36218038	-0.8977357	-0.04632943	0.97007066	0.34141362	0.12245841	0.23082511	0.25025442	-0.30212724	0.23022051	-0.030109989	0.96744514	-0.8724187	0.44446403	-0.37097844	0.5881364	-0.3276151	0.2625841	0.13306646	0.12076185	0.49592394	-0.48248214	0.7122179	-0.995241	0.15288949	-0.11502234	-0.009480545	0.4171639	-0.18940872	0.98148143	-0.28153715	-0.121906064	0.28931767	0.18017574	0.25001514	-0.056962732	0.98685884	-0.22066857	-0.8359994	-0.521883	0.8347433	0.14111833
157	0	O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.65264595	0.3198471	-0.91462576	-0.59131736	0.55732733	-0.6657723	0.011070315	-0.18849126	0.049792927	-0.5606896	0.43430236	0.29496205	-0.41104078	0.7897802	-0.033848766	-0.99473125	-0.46737966	0.61356807	-0.21514232	-0.67853224	-0.74487877	-0.1605073	0.79551107	-0.5445638	0.73297143	0.5777323	0.54545504	0.55091494	0.9547947	-0.14176272	-0.46863395	0.74468124	0.25917688	0.40827027	0.40003514	0.78095865	0.38624224	0.72592306	0.99948055	0.67800874	-0.7273581	-0.27271065	0.431906	-0.6287203	-0.17010167	-0.04133325	0.90990466	0.39591548	0.98381	-0.64623517	-0.36407423	0.3457739	0.1240426	-0.61552507	-0.67873156	-0.42842773	-0.7890511	-0.9666334	-0.6788632	-0.39675054	0.16220193	0.098453425	0.08736827	-0.5249205	-0.16183391	0.49296588	0.18067494	-0.683741	-0.34282163	0.45287165	-0.8746585	-0.9093294	0.06485211	0.84420764	0.35382086	-0.45764917	0.839879	-0.3638502	-0.58883524	-0.99941283	0.67434204	0.3349218	-0.9038855	-0.20688666	0.4397833	-0.24487682	0.33050978	-0.08249824	0.26732478	0.5554045	0.56479484	0.66752255	0.115096904	0.51073855	0.98953664	0.078010574	0.26561084	-0.13205798	-0.57497203	0.22505184	-0.33497036	-0.4356928	-0.28455618	-0.56292856	-0.9985665	0.47841448	0.09112193	0.44041547	0.96380883	-0.62229174	-0.42287663	0.003865477	-0.90193605	-0.8210027	0.3634901	0.8008122	0.27096185	0.6847536	0.9914807	-0.76775867	0.6008334	0.19707976	-0.10611971	-0.20764795	0.4386015	0.3153955	-0.5113368	-0.1963015	0.083850324	0.9986958	-0.45592877	-0.15441917	0.9311431	-0.6222119	-0.14444359	-0.96760654	0.41219094	0.12529081	-0.8567851	-0.81431234	0.9995008	-0.5043842	0.81530917	-0.21368954	0.6329921	0.21970634	0.9134035	-0.00142384	-0.9728919	-0.055461377	-0.3620583	-0.40467227	-0.4308353	-0.88922435	-0.82674927	-0.4667881	0.37806535	-0.658446	-0.93192464	-0.82368606	-0.40602437	-0.12958618	-0.72732806	0.16639566	0.20489301	0.000449941	-0.8158033	0.66980296	-0.4782137	-0.12832317	-0.8647343	-0.8340108	-0.5319198	0.7638599	-0.2817646	-0.9397237	-0.8330526	0.56565887	0.5722331	0.5517064	-0.85906	-0.90075964	-0.43067113	-0.9730254	0.9034943	-0.69003844	0.5416945	0.7660932	-0.25835916	-0.95185703	-0.036116302	0.7533835	0.72303396	-0.3344038	0.12092971	0.04769387	0.35462072	-0.6349891	0.051333096	-0.72172093	-0.8540179	0.6557188	-0.45540628	-0.80732006	0.561171	-0.33586124	0.43519107	0.7222657	-0.7105112	-0.9998758	-0.35650542	0.7703348	0.58984584	-0.17148995	-0.8826771	0.6553003	0.056684133	-0.39676836	-0.027734179	0.20686287	-0.33785886	0.11937845	0.106725715	0.25009793	-0.9341094	-0.52986294	0.48387682	-0.19438645	0.1744919	-0.7036162	-0.6756947	-0.48880765	-0.08981945	-0.01766104	-0.8172579	0.26957515	-0.24207355	0.34843197	0.100540586	-0.19047266	-0.5852497	0.9078566	0.7836562	0.5219139	-0.97673595	0.3357655	-0.45030883	-0.40279174	-0.6344427	-0.42341617	0.5961314	-0.99979013	-0.90268546	-0.027756613	0.14904109	-0.6761013	-0.07993116	-0.33505648	-0.6129178	0.31115752	-0.10729589	0.29036215	0.22731495	-0.46051705	0.4862718	-0.6204041	0.4619418	0.3373969	0.989917	0.32433665	-0.9148486	0.99075145	0.84810364	0.5163452	-0.5489916	0.8999052	0.22585344	-0.9179666	0.5896252	-0.9943781	-0.6179644	0.9866078	-0.32433805	0.3285111	0.45246774	0.75375307	-0.84693485	0.8157416	0.3738978	-0.942317	-0.63160795	0.79312575	-0.88123107	0.69439405	0.7116101	-0.609748	-0.99784625	-0.98366547	-0.15929878	-0.56003386	0.4112411	-0.43814626	-0.55456084	0.76726574	-0.5283424	0.24459462	-0.9776769	0.15858786	-0.2973638	0.18157668	0.50250727	-0.38001612	-0.0698525	0.49879852	-0.23526444	0.8579961	-0.47888297	0.16288126	-0.9999133	-0.4209164	0.36323044	0.5188662	0.7028637	0.6149699	0.086425	0.80634457	-0.3040027	-0.9187534	-0.9371956	-0.63318145	-0.7349144	0.31457874	-0.7013185	0.16244353	0.17509323	0.69669485	-0.88659567	-0.6285134	-0.22804867	0.13961525	-0.5935279	0.4097424	0.88949776	-0.8907429	0.10548397	-0.68036836	-0.11000292	0.4892937	0.7057759	-0.7656171	-0.51829046	-0.31009376	0.86885047	-0.24701385	-0.003270506	-0.4587668	-0.4945077	0.9999587	-0.19571848	-0.41074044	0.2512762	0.8560162	0.26151624	-0.0048848	-0.823789	-0.08060755	0.57019424	0.85333943	0.520926	0.09340898	0.16565187	0.033304226	0.8825155	0.28273046	0.28597945	1	0.1196585	-0.80563116	0.23206346	-0.016486496	-0.8916522	-0.115104705	-0.8357867	0.06577439	0.04975883	-0.3541964	-0.48002824	0.5886797	0.5655379	0.66329694	0.11991043	-0.26590747	0.45324874	0.56518894	0.39180863	-0.99909294	-0.551083	-0.35669476	0.82358086	0.04763083	0.6272817	-0.29460254	0.3643282	-0.3271553	-0.068441495	-0.21398178	-0.009164818	0.7871514	-0.6716847	-0.1630072	0.63769585	0.07385551	-0.04579718	0.7274602	0.7939734	0.82291526	0.99999964	0.26692167	-0.99469864	0.15093112	0.99872047	-0.9825021	0.11160784	-0.9999147	-0.30479044	0.283028	0.06079606	0.22097462	-0.68880516	-0.5213372	0.4135373	-0.6460817	0.23105495	-0.6471296	-0.66775215	-0.6710715	-0.298705	0.4152834	-0.9999851	-0.9999999	-0.7767511	0.5001781	-0.16563886	-0.42204633	0.26933512	-0.0856302	-0.75093734	-0.48869294	-0.83537865	0.6761122	-0.77274275	0.33667234	0.37359452	0.4411699	0.4693096	0.45736045	-0.74338657	0.68090355	-0.9998291	0.5674041	0.69944507	-0.1401749	-0.2349349	0.39818588	-0.66882443	0.19886369	0.19149897	0.30946836	0.34989706	0.46299255	0.4096552	-0.9485712	-0.54093474	0.32754508	-0.54585415	-0.56927377	-0.5750967	0.80823416	-0.49900472	0.3417603	-0.30248553	-0.68082297	-0.9880453	0.11462146	-0.431697	0.053241797	-0.11152221	0.67349523	0.03656597	0.9198868	-0.71055514	-0.018992946	0.49868783	0.9962569	-0.34563974	0.7600887	-0.33565053	0.5492315	0.34945276	0.9906982	0.8447916	-0.7267958	-0.5208658	-0.71124506	-0.8096362	0.91048515	-0.99697053	-0.25167003	0.20054328	0.9697501	0.89210534	0.1024975
158	1	CCCCN1C(=O)C(C(O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2	-0.7578137	0.17783524	0.51246434	0.010454006	0.08318344	0.16327956	0.5718204	0.33199644	0.3165605	-0.17471497	0.017849758	-0.013310583	-0.5208055	-0.33822525	0.002617513	0.61193585	0.4587085	-0.54880756	-0.3455241	-0.41681802	-0.040975697	0.77369404	-0.5916519	-0.66641015	0.30215916	-0.33302313	0.016149325	-0.50655746	-0.3750048	0.59313524	0.06358132	-0.7349829	0.5850889	0.5991972	-0.37993288	-0.6099976	0.11069795	0.57598907	0.9997506	0.44784743	0.9087915	-0.710264	0.3455814	0.4236838	0.47256857	0.99914587	0.46204537	0.47929215	-0.8035673	-0.24148275	0.6697061	0.01665872	-0.35923183	0.40883437	0.8569779	0.20508438	0.40177315	-0.99567235	-0.3766308	-0.6230509	0.20467119	-0.16561984	0.10117789	-0.13230881	0.5785816	-0.13747706	-0.66609424	0.44374532	-0.67554885	-0.74765813	-0.9951634	-0.010443293	0.32205254	0.582157	0.24865623	0.1081008	-0.24426864	-0.49687245	-0.4154483	-0.9984775	-0.7061238	-0.00891258	-0.9600823	-0.6225024	0.47703964	-0.93993706	0.42383805	0.8256144	0.027383544	-0.505977	-0.23118164	0.5957195	-0.53090703	0.2860379	0.9996543	-0.13874301	0.17190368	-0.61455035	0.051238626	-0.6010123	-0.19427754	-0.46068338	0.11104664	0.9923836	-0.99997854	0.5438947	0.6607873	0.004117592	-0.99999607	-0.1605435	0.29343063	0.022733985	0.5005477	0.05551351	0.8041486	0.6738225	-0.84801435	0.7996438	-0.98939204	0.3052365	-0.08279498	-0.09560611	0.5153587	0.061428156	-0.42731556	0.3763998	0.5120089	-0.44085845	-0.1375696	0.99967635	-0.22826117	-0.46708164	-0.09996354	0.49771625	-0.011754084	-0.9075022	-0.32454306	0.24050817	-0.35892627	-0.57084554	-1	0.42164856	-0.9040322	-0.18626286	0.4501895	0.5916945	-0.23409255	-0.14309098	-0.9999924	-0.12613973	-0.45706865	0.05567607	0.8886176	0.014961218	-0.06752215	0.0000726	0.32449377	-0.99993914	-0.7749135	0.43840957	0.9894377	-0.3217939	0.2238473	-0.5405447	0.34050882	-0.57592946	-0.74832034	0.4667446	0.2848776	-0.39255375	0.5538913	0.40226078	-0.06726099	0.49828404	0.5911672	-0.9236633	0.8844283	-0.41888568	0.30569714	-0.8781635	0.13032028	-0.9615969	-0.25118384	0.48906252	0.9836629	-0.263197	0.18572618	0.5071478	0.029301558	0.3604521	-0.7057278	0.13044429	-0.4985051	0.5629945	0.15713531	-0.573323	0.20377731	0.21382326	-0.07511018	0.7381907	-0.3164736	-0.72697985	0.22570817	0.34339932	0.65404284	0.39373395	-0.84795225	0.19826113	0.14074086	-0.9998203	-0.5917213	0.30927494	-0.406323	-0.19141681	0.7965582	-0.465778	-0.17876568	-0.6418998	-0.24584968	-0.35557708	-0.19154061	-0.32121843	-0.87672186	0.6720573	0.9999917	-0.1857497	0.08517669	0.6456452	0.40314043	-0.17642425	0.48024246	-0.41546035	0.4962759	0.038287666	0.29932687	-0.13288231	-0.4125547	0.1548758	0.482492	0.40151736	0.61587596	0.690972	-0.46202213	-0.8203868	-0.11127384	0.34492797	-0.42114863	0.07599015	-0.53702414	-0.38080853	0.43939528	0.4934449	-0.21605109	-0.12138727	0.19712652	0.14460339	-0.17239775	0.51832175	0.34937257	0.07643042	-0.47208738	0.19626537	0.058927793	-0.2403394	0.47997865	0.6431108	0.7484254	0.001851642	0.47763103	-0.25257623	-0.7475524	0.9987001	0.69831854	-0.3699321	-0.08655801	-0.28938776	-0.20893392	-0.42742977	-0.53340787	0.4966444	-0.32636908	-0.9573025	-0.3492159	-0.4177944	-0.75150007	-0.731908	0.7422511	0.68463	-0.99139935	0.3337697	-0.0887495	-0.9996275	-0.03941824	-0.21957467	-0.09908451	-0.41170323	1	-0.9715419	0.026449429	0.597034	0.5475485	-0.32497668	0.056905024	-0.30720618	-0.36289373	-0.027767044	-0.99998397	0.54146683	0.9749832	0.4434465	-0.71003795	-0.25739935	0.5275392	0.5165061	-0.29640424	0.5511506	0.35852727	0.5886023	0.99990076	-0.04194062	-0.5809961	0.42130125	0.20556681	-0.7765402	-0.042692393	0.57439107	-0.54789096	-0.6926478	-0.27292985	0.387553	0.007903399	0.7514167	-0.47018674	0.30728903	-0.4323033	0.70993876	0.052952576	0.099773705	0.7609344	-0.4322159	0.037974976	0.4198245	0.10179459	-0.16784349	-0.08741746	-0.433138	-0.009669036	0.26785892	0.20134896	-0.99936885	0.99188584	0.18621479	0.8592652	0.2539716	0.22647822	-0.11842946	0.53402287	0.9998427	-0.8085629	-0.05626068	-0.15151452	0.73799145	-0.46058363	-0.49293482	-0.9491	-0.6599241	-0.36669606	-0.07285706	-0.095020674	-0.69030493	-0.6926325	0.3027528	-0.16498598	-0.8913553	0.7926985	-1	0.16211304	-0.061095208	0.70819527	0.292123	0.92436695	-0.22013594	-0.4623903	0.49378076	-0.27052054	0.15634853	-0.22814718	0.26383105	0.005964353	-0.9220965	0.35515013	-0.39538342	0.085822724	-0.85907906	0.40889686	0.7412521	-0.40697524	-0.52631533	-0.6601141	-0.19648771	0.99698395	0.61073124	-0.18844779	0.34626442	0.41538644	-0.5137122	0.17626669	-0.628464	0.7284375	-0.29545256	-0.47542104	0.60320383	-0.48622873	-0.06335788	0.39399257	0.14202935	-0.97179073	0.67252755	-0.98655134	0.43759885	0.998575	-0.4842026	-0.25997153	-0.8320779	0.042326927	-0.95269215	-0.46976805	0.18463187	0.6607771	0.30957335	0.6999977	-0.9204319	0.5328891	0.17256291	0.08987737	0.15632951	0.43842033	0.10467774	-0.64779276	1	0.99839	0.7496902	-0.15561613	-0.8542571	-0.6345169	-0.36016068	0.45353892	0.039319	-0.48122746	-0.51384103	-0.21853743	0.001888955	-0.642763	0.61601204	0.5135518	0.60925275	0.08407798	0.999766	0.59392256	0.11352599	-0.44993922	0.03785195	0.5608993	-0.42107135	0.44092077	-0.19943498	-0.43416664	0.8956108	-0.6567403	0.10401574	0.5000162	0.9144429	0.88288724	0.04140189	0.28337827	0.22681403	-0.48062035	-0.760196	-0.36671612	-0.113919936	-0.2674083	-0.3413441	-0.97036904	-0.5885416	-0.57176673	-0.5193688	0.3740443	-0.766659	0.075569704	-0.7634228	-0.408559	0.082393326	0.07815783	0.9998153	-0.49464422	-0.6951106	0.48084968	0.30740938	-0.27114642	0.99979657	-0.40026778	-0.29122338	0.11877899	-0.48654345	0.43750975	-0.040487625	-0.9989641	-0.8482329	0.02317859	-0.41833976	0.73167723	-0.48774168
159	0	CCNc1nc(Cl)nc(NC(C)C)n1	0.118320934	0.3942801	-0.08724725	0.1902143	-0.23403454	0.41212466	-0.30520755	-0.008271198	-0.048364528	-0.48809007	-0.54691035	-0.2896685	0.14430413	0.54406476	0.27378947	-0.71145725	-0.66000795	0.5687278	-0.28135028	-0.20951048	0.36828867	-0.26338837	0.58490586	0.5664636	-0.18161264	0.6331275	-0.005052009	0.23669554	-0.19786173	0.10871804	-0.5085129	0.5656824	-0.67442197	-0.24561834	-0.24508214	0.44453776	-0.004644655	-0.44738042	0.7268885	-0.89699125	-0.92620724	0.6576882	0.25415313	-0.09450965	0.36363435	-0.9901511	0.44534504	-0.23475252	-0.013115181	0.31237066	0.28376105	-0.028485123	-0.24721654	-0.4940478	-0.7387994	0.12752895	-0.4239881	0.8617767	-0.2669024	-0.062146854	-0.108977996	-0.23478866	0.19186163	-0.28032565	0.049991846	0.44143006	0.5980847	0.15404277	-0.24807866	-0.33083752	-0.9642593	-0.99646807	0.71660155	-0.5475715	0.40642747	-0.16606948	-0.5285217	-0.022427058	-0.04722824	-0.9978542	-0.41294092	0.37705606	-0.8774224	0.009101437	0.6326632	0.2450579	0.42452472	0.54501724	0.13238864	-0.3985996	0.33478874	0.023429409	0.38159302	0.20596172	0.9908569	-0.3015842	-0.4335515	-0.2918303	0.10280926	-0.08222177	0.08066077	-0.07448758	0.33819693	-0.36891344	0.5826991	-0.98522615	0.21594107	-0.13790667	-0.9970955	-0.36508232	0.25022107	-0.08147892	-0.6389601	-0.15176514	0.47347528	0.05956847	0.05298913	0.37904736	0.9993881	0.502104	-0.006365719	-0.32333678	0.80347127	0.56382984	0.06603475	-0.37580726	-0.22582494	-0.069674715	-0.61335665	0.98587286	-0.78688085	-0.22265409	0.42884955	0.23650648	0.40795916	-0.92406183	-0.72628367	0.39365262	-0.20448563	0.5756795	-0.99683183	0.14291988	0.9292952	-0.22545815	-0.51520056	-0.08895035	-0.21116547	-0.30365595	0.97310907	-0.2879684	0.47401875	0.6127966	-0.60128725	0.20064017	-0.3083238	0.16626884	0.37722233	0.9966516	-0.54113877	0.8623862	-0.98772633	0.23488884	-0.52304226	0.17759092	-0.48759323	-0.38975155	0.1238785	-0.33539787	-0.5551032	-0.35955673	-0.38196003	0.1623093	0.36792615	-0.61352396	-0.10779844	0.66063344	-0.5614502	0.66963726	-0.83226657	0.51825696	0.38767314	-0.7552374	-0.19797783	0.29223636	-0.6583106	-0.30880728	0.63319147	0.46756893	-0.12938736	0.11645539	0.9858851	0.83853644	0.5612609	0.6485111	0.33344	0.19952105	0.50804496	-0.7350953	-0.24114846	0.5293862	0.39175656	0.09275277	-0.041804176	-0.4798109	-0.5475715	0.36407614	0.106409706	-0.15446292	0.8767269	-0.9882807	-0.12310529	-0.09827792	-0.24415979	0.4253672	0.78327507	-0.67468905	-0.18426715	-0.6332957	0.072790615	0.55680287	0.5576916	-0.6694703	0.5840702	0.15820985	-0.93805915	0.20940302	-0.094059326	0.3870738	-0.05560606	0.13512132	-0.26132342	0.32322812	-0.48135984	-0.3954891	0.3162024	-0.35825896	-0.3732397	-0.18130015	0.008395123	0.1684168	0.96335214	0.50279224	-0.47995993	-0.15351392	-0.008195289	-0.526416	0.4353883	0.3504797	-0.40759224	0.122468375	-0.83523965	-0.9988222	-0.31818083	-0.17360616	-0.06638921	0.004891338	0.00020846	0.21794644	0.14909428	-0.7278325	-0.23856643	0.07250427	-0.15309504	-0.32878292	0.36586177	-0.2816303	-0.7462318	0.18971357	-0.9012384	0.40757784	0.14171223	0.79116875	-0.5943801	0.1063798	0.44623137	-0.85960495	0.6571418	0.8773592	0.6425155	0.3740507	0.27812803	0.99952364	0.20196936	-0.14188384	0.5432727	0.029122414	-0.1748804	-0.93166745	-0.95671904	0.035623975	0.61055064	0.9992234	-0.58365005	0.9290808	0.63011295	-0.18331073	0.99831533	-0.72783166	0.5383715	0.32689753	0.42670056	0.45924076	-0.39495444	-0.5228438	0.9217353	0.9637023	0.9750491	0.6093729	-0.17198339	-0.016791923	-0.36549374	0.35495374	0.6263662	0.08729854	0.7337034	0.044392645	0.16615027	0.027679788	0.90593445	0.53200775	-0.41335887	0.09910095	0.6523367	-0.6737413	-0.16546746	-0.37307015	0.637445	-0.35308024	0.43568856	0.031342305	0.20249821	-0.48687646	-0.14498706	-0.47438762	-0.047173943	-0.701866	0.23321666	-0.37128928	-0.57421863	0.43651953	0.33957818	-0.048688866	-0.23117064	0.23062485	0.19895734	-0.5361785	0.48715526	0.3097822	0.30831084	0.814971	-0.99265426	-0.31078368	0.4778392	-0.17278387	-0.21306792	0.06984159	0.36923483	0.9976207	-0.08426928	0.19353513	0.2596516	-0.42073166	0.040604573	-0.17059162	0.18992223	-0.36638775	0.38533318	0.34983155	-0.69743556	0.22969516	-0.28345013	0.008412711	0.4215105	-0.050090365	0.23016033	1	0.6014924	-0.120563984	-0.14420132	-0.15347251	-0.24674223	0.31658182	-0.12855546	0.60842586	-0.2314793	-0.16435319	-0.6851424	-0.33299223	-0.059221547	0.688154	0.05114877	0.05358853	-0.48645848	0.28597814	0.32968095	-0.5170018	0.44612837	-0.096763015	0.36341193	0.5314741	0.041213565	0.31198254	0.0849186	0.3769657	0.3088023	-0.041181304	0.48874077	0.43196145	0.17412801	0.02530429	0.7093588	0.5113335	-0.01580968	0.7204935	0.6163758	-0.11493901	0.97124434	0.5674595	-0.9365425	0.22080684	0.99672294	-0.015127922	-0.36065915	-0.9738278	0.040949225	0.14257276	0.5724167	0.08593554	0.12900448	0.6621621	0.14695019	0.50648725	-0.22799887	0.5089056	-0.7289917	-0.28984836	0.31858167	0.5460407	-0.9999529	-0.9978404	-0.9912395	0.5434595	0.44155434	-0.24927095	0.1818616	-0.1326318	-0.7173811	0.28814095	0.33679634	-0.1969536	0.5109727	-0.4325045	0.20783801	-0.40252826	0.75922847	-0.067609355	0.20320718	-0.95733887	-0.99993634	-0.2635299	-0.039700873	0.117076494	0.20499462	-0.19965486	-0.65624475	0.58252877	0.6694475	-0.5267545	0.26543212	-0.32830614	-0.57052785	0.86951196	0.2994007	0.68061584	-0.35393494	0.19520108	-0.60891795	-0.5473051	0.027696738	0.29105946	-0.45899555	0.59830874	0.5892956	-0.611646	-0.029389692	0.20574668	-0.3072576	0.036019035	-0.47506854	0.61620116	0.012815042	-0.50922155	-0.23978774	-0.21426846	-0.21762766	-0.13954832	-0.32737005	0.25684795	-0.007295815	0.99997824	0.1196923	-0.26990438	0.6683372	0.42495212	0.48332107	0.3243426	-0.689491	0.15579078	-0.96558875	-0.40768465	-0.55738914	0.10829106
160	1	COP(=O)(OC)SCn1c(=O)oc2cc(Cl)cnc21	0.9689081	-0.08915902	-0.55280644	-0.43456316	-0.041833043	-0.43065795	-0.7538211	0.2080156	-0.6249321	0.006006223	0.5926254	-0.7036851	0.12970066	-0.6537977	0.40609324	-0.10423394	0.06291097	-0.2248259	-0.791876	0.28685862	0.52891415	0.30563688	0.5678252	0.61497414	-0.7674854	0.17514208	0.00165516	0.5249744	-0.25509706	0.025092084	0.70910925	-0.42573443	-0.08560999	0.21495642	0.38024542	-0.665394	0.16933994	0.0768659	0.993017	-0.39195293	-0.84468335	0.3276612	-0.8562621	0.84898925	-0.72032076	-0.7282295	-0.2581224	0.5391688	0.92711765	0.1569091	-0.36143	0.5586499	0.17841455	0.58642167	-0.46548456	0.29652435	-0.4026894	-0.027226808	0.2883206	0.16770202	-0.30539697	0.51049805	0.10881163	0.3390678	-0.7145356	-0.3302339	0.6643564	0.33156916	-0.36742142	-0.18191658	-0.9353534	-0.9962078	-0.69219816	-0.4684398	-0.8864967	-0.5671009	-0.1812616	-0.023145167	0.65415955	-0.99996585	0.59398377	-0.3483302	-0.803783	-0.001267348	-0.041264206	0.0415687	-0.16419972	-0.11250591	-0.20920493	-0.29938745	-0.06051009	0.33979133	0.10917801	-0.77956724	0.99975157	-0.4866948	-0.7114987	0.6307414	-0.7759119	0.37546358	-0.224218	-0.091179565	0.119421735	0.5582586	-0.91616356	-0.9977921	0.42622882	0.815933	0.9365929	0.64932305	-0.40924266	-0.363474	-0.69290525	0.27576372	-0.40044183	-0.6064598	0.19059783	0.20806673	0.997028	-0.5649429	-0.51921403	0.67738754	-0.077406846	-0.23774391	-0.6076482	-0.088407	0.037790097	0.3350111	0.30666193	0.98660785	0.79824066	-0.66514724	-0.16100089	-0.5160214	0.036188047	-0.9544096	-0.8247905	-0.49534234	-0.07257449	-0.36863145	-0.9997211	-0.8440522	0.16226856	-0.29875955	-0.36823365	-0.73547745	-0.31962287	0.14377746	-0.26261014	-0.045817096	0.65194225	-0.72010857	-0.4840733	0.5015992	-0.82207966	-0.04589791	0.572075	0.87638724	-0.37416056	-0.9868487	-0.89984214	-0.27656022	-0.079168364	0.34903106	-0.20058574	0.003777843	-0.22909454	-0.032173377	-0.07255493	-0.083392754	0.61330456	0.6989109	-0.051715974	-0.5316719	0.3608461	0.6562278	-0.38255876	0.6810368	-0.5849748	0.2984241	0.5361049	-0.9980717	0.56374186	0.28824624	0.24113014	0.19234928	0.6330849	0.4980481	-0.353606	-0.009268884	-0.33790278	0.16640493	-0.48399583	-0.6032204	-0.41825208	0.19912452	0.018185753	-0.88305366	-0.52881175	-0.020651706	-0.03000173	-0.4061795	0.29528034	-0.5797812	-0.049737208	0.12388577	-0.029131137	-0.32626954	0.44609928	-0.99965394	-0.12644486	-0.2853569	-0.1835344	0.4249882	0.2300796	0.61131394	-0.2893815	0.2841997	-0.72228444	0.33126128	-0.4245234	0.028211469	0.8211328	0.6012673	-0.95758104	-0.3496114	-0.32099152	0.59568334	-0.17015362	-0.21157072	-0.47931796	-0.09116048	-0.6817151	0.3548014	-0.8329205	0.2484876	-0.2383455	-0.056639165	-0.36918426	0.048783675	0.8430238	-0.118960485	0.58325183	-0.14601842	0.32375276	-0.17392786	0.47168323	-0.1679308	-0.17683138	0.46109918	0.3478992	-0.96979123	-0.08529633	-0.22455655	-0.61321425	-0.7021928	-0.74188113	-0.8358574	-0.001838444	-0.31631115	-0.057562772	-0.14427696	0.57273555	0.63978505	-0.38233918	0.22426358	-0.06963834	0.7838929	0.9069902	-0.49508643	0.93871665	0.9956907	0.44248527	0.6490525	0.55702734	-0.62702984	0.121423624	0.61536586	0.1903765	0.5509001	0.57636356	0.9970606	-0.8011777	-0.46425492	-0.72089696	-0.4464345	0.5655335	0.6741165	0.6688812	-0.7015802	-0.049136437	0.99279135	0.27976328	0.6973244	-0.11856651	0.19265199	0.99984694	-0.43167424	0.7355018	-0.3691629	-0.5749802	0.7164533	-0.58103913	0.33590743	0.42827883	0.77863234	-0.4216458	0.005297584	0.07754142	0.61464465	0.5771349	0.14564665	-0.43616623	-0.16206254	-0.8694573	0.3980301	0.5346992	-0.6578616	-0.99991643	0.27287018	0.34981975	-0.07073199	0.16378301	-0.764583	0.89291203	0.4939949	-0.6125502	0.029519757	0.1654159	0.42037368	-0.62047386	-0.033231247	-0.46913582	0.5366988	-0.117544115	-0.81477535	0.24646378	0.056406185	-0.3935153	-0.77162886	-0.31490335	-0.39648125	-0.26362154	0.6673935	0.57553774	-0.06441411	-0.05974751	0.062289264	-0.0899789	-0.33986878	-0.9282586	-0.9004367	0.6306603	0.2918825	-0.776106	0.26928827	-0.89673513	0.99950844	-0.71045244	0.4868051	0.16541618	-0.19290575	0.013531018	0.4299132	-0.117570266	-0.6764838	0.5817419	0.17088524	0.71767	0.67390066	0.03289686	0.7182986	0.37832326	-0.65217817	0.37418047	0.99776995	-0.01004329	-0.20686653	-0.20964926	0.31583565	-0.12735417	-0.4549324	0.7049928	-0.19180612	0.13702247	-0.051420003	-0.25831926	-0.13323978	-0.7953681	0.6510785	0.107116655	-0.37169996	-0.74577904	0.21020405	0.27847472	-0.8313247	0.5672839	0.35991287	0.13556565	0.121518314	0.975323	-0.21527547	-0.1344845	0.075332105	0.420412	0.49644336	-0.17034185	0.56774074	-0.03451252	0.181355	-0.77616674	-0.19174136	0.5302379	-0.27815345	0.1435978	-0.024050115	0.99999964	-0.7187523	-0.94897324	-0.6078176	0.9993974	-0.2590232	-0.06898033	-0.9999176	-0.08995922	-0.71942574	0.001959552	-0.537373	-0.030444292	-0.9234642	-0.61597204	0.8776714	-0.69671357	0.043734424	-0.41161677	-0.5488245	0.047683313	-0.40549946	-0.99996316	0.9886821	-0.8910588	-0.7798849	0.2656761	0.048062723	0.13541874	0.80181783	-0.49825484	0.12582156	0.050075892	0.5871294	-0.07790517	0.043011762	-0.12858823	0.39414346	-0.17357928	0.10944089	0.09661021	-0.4800043	-0.9997179	0.08627013	-0.028504686	0.5167608	-0.018347483	-0.41667435	0.67463624	0.65691066	0.57086676	0.02437735	0.15663776	-0.5570716	0.7374951	0.96552587	0.24951956	0.7965282	0.011010121	-0.07287993	0.030135352	0.6122226	-0.5177294	-0.4062688	-0.0404728	0.72427493	-0.8752483	0.43444365	0.29111	0.05556403	-0.32717648	-0.0921086	-0.13188107	0.608932	-0.54709977	0.8509675	0.7579494	0.9660287	0.34932375	-0.18175781	0.07677994	0.5038931	-0.053842496	0.99997586	0.7654688	0.35502425	-0.32975563	0.22888099	-0.35235777	0.046854068	-0.9849923	0.23552114	0.75659543	-0.28580257	-0.71711195	0.39398423
161	0	Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12	0.54918146	-0.32057422	0.51796865	-0.66691124	-0.50447035	0.038896546	-0.65890497	-0.050917603	-0.2414131	0.50983053	0.7822389	0.4110513	0.37186798	0.46614203	-0.5966387	0.41020072	-0.1579238	0.5594602	0.009447168	0.6416814	0.7603193	0.3280327	-0.07367579	-0.038909487	-0.447778	0.3407055	0.38545337	0.5756943	-0.35984918	0.026416054	0.117241435	0.008540192	-0.5521655	-0.18177162	0.83694667	-0.3736427	0.41748348	-0.34727773	0.97938347	-0.55734575	-0.8871908	0.27776358	0.06435466	-0.049862724	-0.76912385	-0.8396567	-0.06741756	0.8637782	0.14029302	-0.38147944	0.68120056	0.17043889	-0.8866195	0.25289246	-0.06408613	-0.08086661	-0.6519505	0.2248901	0.065137625	0.14837243	-0.56117445	0.62823516	0.1563802	0.24657544	-0.6281403	0.31345794	0.47872365	-0.27330554	-0.36121866	-0.26997018	-0.9819279	-0.9992912	-0.15952954	-0.80923593	-0.91006446	0.002829118	0.51704377	-0.83678	0.5246603	-0.99985135	0.3687082	-0.5116272	-0.97582525	-0.22984284	-0.96765375	0.23311806	-0.20646676	0.47617817	-0.68237334	0.32728928	-0.3637406	-0.122971974	0.26420125	-0.026556421	0.99988335	-0.7257336	-0.6805802	-0.8007227	0.4011386	-0.26971328	0.43133262	0.24171218	0.440158	0.85299206	-0.8955764	-0.9950423	-0.37039366	0.7037898	-0.9747801	0.7702322	-0.24435829	-0.43445218	-0.70030105	-0.11551595	0.45796877	0.2812192	-0.418334	0.08794935	0.99806094	-0.2452711	-0.2731423	-0.02505899	0.41623315	0.46243215	-0.600472	-0.7290992	-0.06430566	-0.6227853	-0.032228936	0.8943592	0.39437956	0.19601297	0.37418577	-0.5496969	-0.23606947	-0.959376	-0.6866455	-0.52746993	0.2893268	-0.5816772	-0.9999743	-0.64515656	-0.3229792	-0.027872384	-0.408265	0.123319425	0.31443194	-0.42764628	0.19420333	0.2425804	0.7107035	-0.81274873	-0.85161763	0.22256921	0.25739086	-0.045422677	-0.20663701	0.8705486	-0.11607331	-0.34563795	-0.960144	-0.49204227	-0.33734122	-0.17471245	0.35287058	0.15451184	-0.48216212	0.13143647	0.20531909	-0.4399778	0.62058383	0.46348292	-0.02433206	-0.36153194	0.74394965	0.81079376	-0.6240916	0.07216098	-0.6927443	0.4907586	0.6149362	-0.99952877	-0.5981421	0.4462997	0.14859946	0.23598449	-0.046391997	0.7653408	-0.16464144	-0.14715637	0.8455551	-0.19208257	0.37387815	-0.005865049	-0.35011795	0.62769794	0.526467	0.9325518	-0.37891072	0.28681183	-0.33514082	0.31471497	0.23514612	-0.00566437	-0.9503753	-0.4446143	-0.6208286	-0.40576774	0.49777383	-0.99863046	0.14388804	0.45713687	-0.8742128	0.4387693	0.68424857	0.43318895	0.58223915	-0.41297188	-0.6123284	-0.15882508	0.07081227	-0.051372316	0.90022975	0.000836102	-0.9209106	0.83377653	0.16356498	0.43739796	0.000578513	-0.6859716	0.1674452	-0.11762871	-0.15729873	-0.48318106	-0.13273641	0.43999484	-0.32102138	-0.7273729	0.5111352	0.6561891	-0.9634466	0.555723	0.31691545	-0.034091204	0.44779775	0.1982186	0.24654453	0.37522542	-0.3271921	-0.10769244	-0.42454818	-0.7562659	0.3135973	-0.5167623	-0.10058816	-0.44616392	-0.695772	0.023726141	-0.26754028	0.27195942	-0.11472747	-0.49617758	0.7157426	0.44362077	0.05530004	0.09375357	-0.7916272	-0.21056347	0.58540595	0.30518028	0.5227982	0.93900216	-0.74851626	0.16071466	0.20940903	0.28341985	0.24347897	-0.056136154	-0.32969365	0.002688223	0.05585676	0.9990359	-0.5802424	0.69074595	-0.33930904	0.7947044	-0.13839754	-0.7102892	0.36986122	0.37434095	0.21135148	0.993168	0.030545268	0.4042414	0.6394061	-0.29413474	0.9999984	0.21789514	0.47944474	0.58138144	0.25624105	0.534161	-0.83777326	-0.2029782	0.9678549	0.8967405	-0.14490502	-0.3829563	0.04490507	-0.13707216	0.096466914	-0.44470906	0.4234148	0.101126075	-0.9353164	-0.3930159	0.4313005	0.38558823	-0.96157396	0.11301762	0.43382567	0.33158508	-0.2663659	-0.81424874	0.07304005	0.20339173	0.18009046	0.47482643	-0.6461016	0.37852195	0.15783764	0.085878454	0.027535908	0.34618232	-0.30864406	-0.95141923	0.057450764	0.4128938	-0.5225278	0.039496265	0.39820445	-0.010317861	-0.56230253	0.73016816	-0.19228204	-0.20781164	0.65129834	-0.4745187	-0.16222155	-0.14099297	-0.96553206	-0.36715943	0.596598	0.27611884	0.68059164	0.059952576	-0.16231053	0.9992639	0.35713392	-0.30852944	-0.5482891	0.6149521	-0.05428938	-0.47249448	0.8182012	-0.034521576	-0.08914754	0.27588627	0.3588844	-0.30634722	-0.004531251	-0.12855905	0.62539524	-0.7742492	-0.3567417	-0.9551322	-0.297416	-0.5321303	-0.06710413	0.18713626	0.10120538	-0.1083721	-0.61386883	-0.11139497	-0.032627594	0.21147874	-0.82572776	-0.7653777	-0.34800026	0.86358863	-0.41303977	-0.61425024	-0.014426571	-0.1051121	-0.08144748	-0.12937059	0.6620383	0.65754	0.20683062	0.8014504	0.99075586	-0.3979599	-0.06113163	0.49772048	0.08639184	0.40427792	-0.07497186	0.9625431	0.33344328	-0.35846472	0.5280955	0.44183758	-0.33322144	-0.061389998	0.33633295	-0.4562969	0.9999423	-0.26688835	-0.9765635	-0.61567384	0.9969138	0.054443963	0.034110125	-0.9988688	-0.76927763	-0.5820324	0.31903008	-0.27415687	-0.2676447	-0.56141305	-0.01059945	0.91894317	0.45118883	-0.2191634	-0.49620873	-0.109814204	-0.5744723	-0.5932989	-0.99998236	0.9999988	-0.931332	0.2947117	0.38142055	-0.018339744	0.6632226	-0.1416461	-0.5848278	-0.5094685	0.61676264	0.5971262	-0.07239993	-0.30354157	-0.88807	-0.44124103	0.05598949	0.33019683	-0.023784261	-0.6032507	-0.9999402	-0.2984781	0.8486643	-0.31063572	0.044855043	0.24528216	0.9385931	0.8068131	0.045320798	-0.13411105	0.5377499	0.5315396	-0.31671903	0.9749	0.16777709	0.7474319	-0.21000746	-0.18444033	-0.64769727	0.6325874	-0.4879352	-0.33431754	-0.40314645	0.93464315	-0.06547086	-0.82802784	-0.6686157	0.48146608	-0.567378	0.44732815	-0.2517695	0.57737327	0.119993046	0.74117196	0.8101449	0.8896306	-0.3800844	0.39743796	-0.3961511	0.59189063	-0.61291033	0.9994507	-0.4481232	-0.2748494	-0.6338566	-0.35260764	-0.40773654	-0.08755202	-0.98048663	-0.23011962	-0.9201742	-0.75114393	-0.7904444	0.3186029
162	0	COP(=S)(OC)SCn1nnc2ccccc2c1=O	0.9588419	0.33855635	-0.5935026	-0.40249413	0.38757005	-0.56073684	-0.79637	0.15148936	-0.78422487	-0.35229883	0.2955729	-0.12631337	-0.19801265	-0.65787786	-0.22032833	0.3318912	-0.1738152	-0.220012	-0.8653264	-0.5280029	-0.014682943	-0.07913923	-0.3213428	-0.64584357	-0.34888768	-0.42245686	0.44739145	0.49099046	-0.43139717	-0.40902779	0.46003515	-0.8631021	0.1214395	-0.4712882	0.6071951	-0.6594517	0.06564179	-0.5687731	0.99394673	-0.58255655	-0.98932946	0.000120023	-0.26797974	0.09521334	-0.8912805	-0.75360334	-0.030786552	-0.22081812	0.9625953	0.25083476	-0.28678223	-0.04829955	0.27814937	-0.3849115	-0.21678522	0.2741316	-0.26700258	0.033168312	0.046304725	-0.049649395	0.28691208	0.75394124	0.4676104	0.21383853	-0.5580022	-0.509038	0.019471489	0.21206447	0.17684145	0.012220674	-0.9217163	-0.9982507	-0.7741013	-0.14594881	-0.78432876	-0.88254625	-0.0000584	-0.029216418	0.8710249	-0.9999714	0.7402725	-0.32851684	-0.85717076	0.34460536	0.35716668	0.022439474	-0.30393597	-0.73862696	0.16238758	0.36917546	0.5843629	0.37665862	-0.19101389	-0.65288025	0.9997585	0.03265726	-0.61397576	0.17598496	-0.72515374	0.27047333	0.12457245	-0.15702724	-0.28006786	0.70739204	-0.87897736	-0.9957638	-0.22319856	0.8882456	0.9761346	0.38702387	0.2969426	-0.007904355	-0.800507	-0.6984366	-0.66385615	0.003049621	-0.21040821	-0.57433844	0.99716973	-0.67774224	-0.66034836	0.20602481	0.43613178	0.4970865	-0.55255497	0.024662698	-0.10281366	-0.06354791	-0.19448344	0.9629395	0.36496353	-0.29064468	0.46736458	-0.24878557	0.42566884	-0.9670117	-0.6436305	-0.42468402	-0.017733427	-0.60684025	-0.99968857	-0.48072737	0.36436647	-0.20837158	-0.045236774	0.18610485	-0.40286177	0.006220999	-0.27581978	0.4082547	0.7305969	-0.64315706	-0.6493011	0.079153925	-0.26267847	0.3514261	0.3387607	0.92389095	-0.19745833	-0.96718895	-0.94547063	-0.27503744	0.6208254	0.02606059	-0.3895291	0.20558855	-0.54353464	0.7737831	0.22969851	0.43371624	0.5933924	0.11511828	-0.1591545	0.12277861	-0.6072364	0.924813	-0.0471806	0.782657	-0.72947603	0.6923567	0.6815874	-0.9977809	0.6678318	-0.17015068	-0.005060748	0.41396746	0.5032401	-0.09179394	-0.7871603	0.08871685	-0.5693528	-0.18692808	-0.76033777	-0.67535686	0.32035437	0.51672184	-0.5883685	-0.94121456	-0.10897147	0.031648006	-0.044410903	0.22737364	0.17190976	-0.3258197	-0.004284076	0.4369628	-0.73452	-0.6735814	-0.3865577	-0.9996972	-0.61936545	-0.25177798	-0.34958592	0.56547433	0.6098196	0.5321727	-0.35376242	0.35747162	-0.5069642	0.64968514	-0.83118397	-0.020645741	0.95010346	-0.07700849	-0.9928418	-0.07746697	-0.24941239	0.25645405	0.6687632	0.73544776	-0.23682033	-0.14503324	0.32803914	0.10172056	-0.124748476	-0.028651517	0.51339763	-0.026382074	0.314678	-0.18405497	0.7521976	-0.16092321	0.17722142	0.71325195	0.39532882	-0.07918614	0.13307463	-0.44251496	-0.47925773	0.073036484	0.35312134	-0.9747877	-0.6562588	0.21085076	-0.7905008	-0.5862194	-0.47339916	-0.44704086	-0.18679892	-0.5687104	0.19628404	-0.69340193	0.42902982	0.8164672	-0.52606606	0.41267416	-0.2806942	0.035154533	0.59166497	-0.59756345	0.88611335	0.9896461	-0.3740144	0.6576081	0.7939644	-0.6371019	-0.42118096	0.008488608	0.2782259	0.47403207	0.31459835	0.9970673	-0.92978936	-0.6329658	-0.49973324	-0.5165403	0.5137357	0.61041117	0.8380133	-0.5671935	0.38833672	0.994714	0.84831524	0.5338642	-0.3503472	-0.011240413	0.99989766	-0.083428375	0.28346673	-0.3330015	-0.3180982	0.70434153	-0.48380747	0.6334419	0.6499686	0.7688164	-0.12623616	0.61116195	0.04228141	0.66584516	0.12853739	-0.034667533	-0.6481955	-0.3140778	-0.7194345	0.43504483	0.7173599	0.5579621	-0.9999624	0.7055345	0.050132234	0.09299347	0.17186645	-0.6960772	0.79370403	-0.12702248	-0.19663875	0.073950015	-0.6219249	0.46282643	0.06861043	0.39853925	0.068120286	0.52952915	-0.3401621	-0.91014814	0.16159809	-0.5804584	-0.46176255	-0.06729526	-0.36083463	-0.6050647	-0.33197376	0.8057926	0.71386784	0.16038476	-0.4377935	0.42712688	-0.37105379	-0.11271493	-0.92454934	-0.35721564	0.65065926	0.53997743	0.10660989	-0.23029579	-0.56932896	0.9997698	-0.74634475	0.695825	0.73407024	-0.12088353	0.83973324	-0.5576852	0.19255847	-0.08165444	-0.23749916	-0.28559956	0.27817962	0.78317094	0.20783338	0.09797686	0.2143201	-0.3707486	-0.3903724	0.99934095	0.11048406	0.49787793	-0.20598437	0.2993948	-0.12507449	-0.27634943	0.44937456	-0.003530528	0.18177755	-0.17786875	-0.414812	-0.11971505	-0.44128656	0.55493116	-0.2900088	0.20520067	-0.1815843	0.39707625	-0.4722836	-0.91170746	0.61645305	0.109416224	-0.08576176	-0.07719402	0.97066873	0.4512816	0.3596186	-0.29530403	0.5909591	-0.10472646	-0.7880836	0.9434283	0.10160379	0.34860972	-0.66123575	0.55923766	0.35774612	-0.5521734	-0.18272744	-0.15494552	0.9999999	-0.88367045	-0.9547402	-0.32555705	0.9994134	0.5466988	0.2130177	-0.99993414	0.61242974	-0.66294146	-0.30030453	-0.81213826	-0.11683817	-0.6628417	-0.6502648	0.9280587	-0.6414884	-0.68278426	-0.4340385	-0.840064	-0.43471432	-0.5336199	-0.9998771	0.971254	-0.9213248	-0.15058754	0.51822656	0.20612414	-0.28798348	0.452755	-0.37008283	-0.038012877	0.7329162	0.34583703	0.28069198	-0.43162456	-0.19485451	0.16475882	0.3829753	-0.5169653	-0.13133991	-0.674186	-0.9996513	-0.0511617	0.6894859	-0.047654074	-0.16256404	-0.16394612	0.5767645	0.18067494	0.33627817	0.51388496	0.22393842	-0.56866086	0.5239441	0.9736952	-0.003822965	0.45508048	0.066329025	-0.6571604	0.5024245	0.7213884	-0.3770639	0.03465745	-0.5913418	0.6539456	-0.9491536	-0.5981086	0.17409976	-0.16484922	0.48783532	-0.0464472	-0.23251732	0.6483871	0.21862853	0.8765765	0.50579274	0.9498763	0.5528209	0.6272424	0.47144982	0.117693394	-0.4584826	0.9999195	0.65647554	0.30744985	0.16446587	0.006565874	-0.13639642	0.15578043	-0.97912973	0.10340629	0.4273812	-0.3408298	-0.6069649	0.5879299
163	0	c1ccc(N=Nc2ccccc2)cc1	-0.22620152	0.10993707	0.17951825	0.82063425	-0.15627776	-0.64077795	-0.58399016	0.5157355	0.006847792	-0.58734065	-0.64878386	0.07650384	-0.25157392	-0.58294994	-0.20079467	0.6309059	-0.21428697	-0.17934777	-0.24097762	-0.1509798	0.66710216	-0.7534514	-0.041589204	0.6467831	0.33762407	0.22819746	0.05119906	0.25091946	0.24712433	-0.20473047	-0.018444188	0.3475421	-0.42088553	0.48684514	0.065375045	0.29469022	-0.21263555	0.7103314	0.5788098	-0.9737827	-0.9968234	-0.4681047	-0.11600565	-0.273709	0.42538124	-0.99022114	-0.031126093	-0.007230081	0.99943995	-0.32640877	-0.19116555	0.23839065	0.5627153	-0.5158467	-0.88984185	0.3801524	-0.75602126	0.9356176	0.30354616	0.2519148	0.05282967	-0.2785819	0.60633665	-0.2546222	-0.5089397	0.51154494	0.0216734	0.44989622	0.001433398	0.6884293	0.92570806	-0.7640464	0.40667093	-0.31057203	0.68183416	-0.3924506	0.062424395	-0.6269053	-0.27974838	-0.98906076	-0.73423696	0.35696438	-0.2517002	0.26457486	0.19881247	-0.71810406	0.014164147	0.014885274	-0.068070486	0.12182582	0.42118368	0.249499	0.34148106	0.23389551	0.78583753	0.21504925	-0.26431268	0.17039947	0.2446124	-0.5103829	-0.22410335	-0.7009395	0.4235743	0.9093234	0.7079414	-0.5204674	-0.5336866	0.5917942	0.9949239	-0.104743846	-0.2576225	0.2882524	0.3117909	0.11852634	-0.6568185	-0.21316446	0.62434906	0.314012	0.99853677	-0.53508013	0.23844096	-0.08488348	-0.14966229	-0.027469048	-0.5347568	0.11405934	0.19159089	-0.42844242	-0.14787108	0.999855	0.4582252	0.15644698	0.21696615	-0.17001632	0.23349981	-0.7398317	0.5721813	0.57357264	-0.47351906	-0.09459069	-0.9997827	0.111558974	0.99036336	-0.2469736	0.5060415	-0.31261107	-0.6138147	0.004178374	0.9567627	-0.1707352	-0.23218003	-0.6273527	0.12641358	0.012609795	0.15401824	0.5066835	0.33115175	0.9976229	0.002374414	-0.92693347	-0.9858644	0.12661666	-0.14582606	0.21871881	0.053051423	0.0714137	-0.2841462	-0.2657417	-0.13591245	-0.1255631	-0.020346709	-0.5409737	0.71651953	-0.32052514	-0.074983865	-0.90285313	-0.71183753	0.24720743	-0.44259652	-0.7096557	0.75829357	0.20126748	-0.23821813	0.53961706	-0.8977395	-0.25771147	0.7137358	-0.17732297	0.10560414	0.13807766	-0.09337357	0.08290774	0.31598347	-0.095630094	0.03410388	0.08825325	0.3269359	-0.659114	0.5222973	-0.5270051	0.12953532	-0.5938373	-0.8301613	0.24532396	-0.11275625	0.31661463	-0.4275588	-0.6457814	0.6097627	-0.9867822	-0.12543753	0.13185854	0.020122327	0.1544317	0.5494303	0.09562667	-0.061553072	-0.106612	-0.123684004	0.23694615	0.43907794	0.446914	-0.13853143	0.25526118	-0.9906824	0.32482222	-0.3755516	0.47845984	0.6756784	0.5997543	-0.059327997	-0.41446525	0.7668811	-0.58887684	0.13039434	-0.12828492	-0.27245373	-0.076992095	0.30453992	-0.104365334	0.90845275	-0.39076105	-0.3286787	-0.5118907	0.6992425	-0.03597777	0.012073616	0.0575707	-0.51132536	-0.1065587	0.20232387	-0.9629718	-0.033127476	0.83995116	0.3255248	0.6363184	-0.27976108	0.74782753	0.23493207	-0.19571754	-0.10624874	0.8287911	0.47596204	-0.15658122	0.17396405	0.45525068	0.52512753	-0.46179703	0.05948776	0.5062457	-0.23217034	-0.36491632	-0.366498	-0.20243964	-0.071041584	0.884353	0.13556334	-0.131603	-0.47505668	0.5405362	-0.080718145	0.9996696	0.28211415	0.70751494	-0.000763252	0.4395738	-0.037161686	0.6563037	0.8810293	0.33960775	-0.05760115	0.9992597	-0.035359625	-0.18917444	-0.3461818	0.4504482	0.99988145	-0.9791806	0.34482685	-0.4551619	-0.45672533	0.49389777	-0.46715158	-0.613429	0.6475289	-0.47403854	0.9829605	0.40972564	0.68344855	-0.52249795	-0.13465047	-0.05779509	0.50963426	0.16281046	0.93146193	-0.013263558	0.45072055	0.16928771	-0.9999731	0.059731167	-0.47798163	0.6173873	0.051923953	-0.8706778	-0.6700185	-0.5813946	0.74385256	-0.9302896	0.3508907	-0.12277002	0.38064572	-0.45563042	-0.26183516	-0.023975283	0.5100244	0.7111956	-0.046967704	-0.090707935	-0.13927065	0.18736227	0.00000426	0.4098939	-0.4306671	0.8695136	0.114545755	0.09727524	-0.25439414	-0.48375183	-0.6796139	0.8404203	-0.99732375	0.042532157	-0.5255157	0.45257697	0.5297647	0.41101316	0.4695144	0.9969958	-0.36911783	-0.35107997	0.21780354	-0.6028414	0.52550244	-0.2840141	-0.8753828	-0.23881808	0.07064136	-0.7571028	-0.7273436	0.152039	-0.3692152	0.10016903	0.17117332	0.8947785	0.11330867	0.9983556	0.049536362	-0.46152142	-0.6272083	-0.5041812	-0.7201788	0.25115412	0.5945589	-0.3705173	-0.008796632	-0.056304008	-0.038914867	0.5760432	0.12098462	0.7159952	-0.22001079	-0.40704608	0.20586883	0.6933793	-0.26230457	0.21618977	-0.14177614	-0.094508015	-0.11589072	-0.040684976	-0.90017325	0.2521159	0.55655664	0.19186926	0.13669692	-0.45332846	0.20937485	0.9010137	0.48316747	0.08379075	0.76167595	-0.24314678	-0.4915002	-0.41737568	-0.04298588	-0.33491507	0.9999997	0.264027	-0.9693691	-0.18392192	0.998779	-0.34969252	-0.40671888	-0.99994874	-0.052120015	-0.47986698	0.20014173	0.09033627	-0.4915598	-0.5117476	0.19698286	0.049540002	-0.46445143	-0.776558	-0.2881468	0.43911755	0.10070676	-0.31950015	-0.999967	0.9897628	-0.97911036	0.038720097	0.27834567	0.22365247	-0.6835316	-0.2749488	-0.6300919	0.58404696	0.31479603	-0.09325148	-0.86835885	-0.33860204	0.6199931	-0.12154678	0.3903677	0.012118289	-0.042741273	-0.96337265	-0.99992377	0.09765495	-0.12209306	-0.009784348	-0.37022525	-0.4461893	-0.99102557	0.019844644	0.004221302	-0.20487778	0.3364394	0.18771991	-0.5021921	0.9467019	0.043741744	-0.04128078	-0.120847225	-0.07873805	0.14489199	-0.63565487	-0.512855	-0.19479026	-0.35104263	-0.24022616	-0.9689807	-0.6938791	0.08814993	-0.12733258	-0.5050759	-0.34852505	0.2600007	0.627702	0.3040425	0.19283064	-0.30756885	-0.23941469	-0.26835573	-0.21306969	-0.60555154	-0.44322756	0.6668469	0.9991524	0.59723604	0.4588669	0.09401601	-0.53664154	0.059842438	-0.12197694	-0.096530154	0.46834707	-0.51441103	-0.5741081	-0.26945505	-0.11989203
164	1	COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1	0.52697444	0.33374393	0.101118624	-0.5062257	-0.039402958	-0.31869534	-0.40438414	-0.26641265	-0.26127085	-0.66783696	0.52911276	-0.074675255	0.12911855	-0.34691578	-0.34899718	0.35565773	0.34539226	-0.17965065	0.51525944	0.46704432	0.7978825	0.33066761	-0.18807313	-0.49457172	-0.09942032	0.23732157	0.28774443	0.7888	-0.7279037	0.6543823	-0.21073197	-0.57969683	-0.047379013	-0.39801475	0.48536143	-0.68195915	0.3115975	0.8228544	0.9997462	-0.40142807	0.19314735	0.046003327	0.006142356	-0.7499928	-0.20554554	0.83703464	-0.095076054	0.29741827	0.9058918	0.4816328	0.6517056	0.5156486	-0.7936422	0.47262022	-0.04142101	0.3091654	-0.5131543	-0.89403546	0.2809433	-0.4989877	0.07069537	0.33462372	0.19993497	-0.55384564	-0.84238124	0.32151315	-0.57110476	-0.081086405	-0.5565411	0.21505336	-0.6723586	-0.92235756	0.12587409	-0.7680201	-0.37166783	0.17933193	-0.5992003	-0.81564015	-0.23926331	-0.9994944	0.8769428	-0.4304076	-0.9618759	-0.06780816	-0.13465932	-0.8509131	-0.30605596	-0.012723201	-0.6777883	-0.3693537	0.24294928	0.13171025	-0.000276629	0.67870146	0.99987596	-0.007066176	0.28287405	-0.71673375	0.10748834	0.63794047	0.3739668	-0.7386526	-0.5448174	0.94548124	-0.9997171	-0.99008936	0.16538505	0.027231295	0.9642622	0.3887769	-0.32935897	-0.56943893	-0.38081855	0.73693883	0.2966586	0.5588975	-0.4534987	0.3965845	0.8499608	0.15928833	0.18848331	0.2406588	-0.09053619	0.3602649	-0.41761622	-0.4099043	-0.5682984	-0.4270296	0.49760443	0.99729365	-0.21350324	-0.000208873	-0.15013482	-0.04756327	-0.28909737	-0.9930968	-0.28826877	-0.14981504	-0.52784127	-0.55309206	-0.99999785	0.056636255	-0.49848318	-0.5404325	0.13983454	0.43463868	-0.13986675	0.25076005	-0.9986491	-0.121291675	0.79291636	-0.74920344	-0.35112676	-0.55709565	-0.5443821	-0.12318903	0.19480444	-0.9518365	-0.74470484	-0.95525324	-0.057773296	-0.69967836	-0.18608972	-0.123658955	-0.16753344	-0.27951357	-0.76358044	0.06753655	0.11541862	0.3817359	0.5926494	0.4706693	-0.3950071	0.28487822	0.7248695	-0.15994424	-0.64289206	-0.5123647	-0.7329441	-0.027825972	0.52458435	-0.9975901	-0.6963544	0.17918728	0.87120396	0.44140425	0.0840611	-0.20938465	-0.018889787	-0.45582622	0.64564115	-0.18069543	-0.4649442	-0.22068948	0.3713695	0.07552842	-0.2294882	-0.65237916	-0.512093	0.21595985	0.5854217	-0.24464294	0.019761186	0.18200174	0.3801911	-0.46871412	0.28021625	-0.6900628	0.81877196	-0.999967	-0.39001137	-0.61533666	-0.18437773	0.5083326	0.2777993	0.54075944	-0.4367563	-0.12230959	-0.15248436	0.28242475	0.010221786	0.21188536	0.4802576	0.067029044	-0.9913143	-0.067814454	0.7480648	-0.34556592	-0.5611142	0.6488642	0.119366	0.73912716	-0.35607305	-0.2140966	-0.35162583	-0.13261245	0.14143668	-0.6064221	0.587352	-0.04820188	0.9392579	0.05664123	-0.71880144	0.23346055	0.74510103	0.2018628	0.54172105	0.5460959	0.45702767	-0.16171817	-0.053993225	-0.7458985	-0.44563293	0.7450121	-0.5310277	-0.28514352	-0.6154394	0.6283234	0.00392467	0.23265067	-0.23806068	-0.72731835	-0.25501257	0.13385662	0.30694097	0.84874946	-0.59883785	0.46504194	0.88760287	-0.42978153	0.6240754	0.9997867	-0.040479854	-0.14119513	0.62086886	-0.63420963	0.4760884	-0.3208727	-0.04793689	0.7576164	-0.18519688	0.9448536	-0.8040143	0.23913214	-0.7299439	0.3803515	0.56769663	0.72497785	0.020331508	-0.09538001	0.13795316	-0.19652595	0.601703	0.4695961	-0.371723	-0.21775825	0.99999905	-0.8972463	0.28998724	0.38588423	0.4120054	0.65450925	-0.7671889	0.2273215	0.70044583	0.26994532	-0.9985282	0.34054443	0.60601705	0.27917457	-0.6979298	-0.32059184	-0.40853724	0.1336782	-0.659266	-0.110959224	-0.24865533	0.3394801	-0.9996039	0.4380741	0.31246307	0.033591997	-0.3260627	-0.8366506	0.6894344	0.7722368	0.57815355	0.09064529	-0.375437	-0.33270475	0.17122328	-0.14959882	-0.14581472	0.4418872	-0.011381649	0.047804404	0.84395546	0.4183369	0.3004923	0.26559842	0.7285074	0.21133673	-0.1978515	0.6390406	0.7141866	-0.053578425	0.10014173	0.3004434	0.3195366	-0.96983534	-0.3405661	0.632779	0.27851033	-0.035008986	0.17734839	-0.016933247	-0.47985205	0.9994125	0.6342394	0.41828075	0.34556615	-0.50870097	0.34030813	-0.62279046	-0.6409111	-0.3815174	0.03095568	-0.113847375	0.08106365	-0.47440383	-0.03652184	-0.71428543	0.5526415	-0.860568	-0.52699876	-0.9892174	0.19426998	0.7000042	0.5434657	0.68950015	0.42294574	-0.2851725	-0.6617463	0.20846136	0.3782904	-0.15094556	-0.0661853	-0.44054675	-0.4801737	0.7020283	0.8119847	-0.39548275	-0.44354135	-0.22218382	0.6701424	-0.57653767	-0.3093205	0.29962307	-0.21111275	0.6101122	0.9915924	0.08233156	0.27849856	-0.5490758	0.20223895	-0.7148148	-0.36530754	0.6658711	0.771847	0.17712532	-0.7072412	0.1347061	-0.08904131	-0.23006207	0.6162138	-0.46171388	0.99999803	-0.5348517	-0.9248423	-0.07556437	0.994736	-0.15400028	0.66866034	-0.99985415	0.4748927	-0.8767568	0.52613086	-0.13105348	0.49804923	-0.53416175	0.37206617	0.420538	-0.67161196	0.39473867	-0.24943978	-0.45504305	0.5527921	-0.05196788	-0.9995775	0.99999976	0.6054077	0.09792561	0.31571537	-0.1909908	0.45417565	0.018860003	-0.070568025	-0.65615755	-0.32377827	0.7213658	-0.7016723	-0.009878567	-0.19930957	-0.4638286	0.33825767	-0.21738954	-0.80572295	0.95647466	-0.9980379	0.43350208	0.33194676	-0.14041631	-0.13396274	0.29039836	0.7120999	0.72741014	0.42746764	-0.020827074	-0.6849816	-0.1315304	0.20038897	0.99154484	-0.19731578	0.23601188	0.24833775	0.13231209	-0.2669459	0.47592145	-0.17958045	-0.5068447	0.37413168	0.6948792	-0.98745453	-0.68202233	0.02473338	0.23674051	-0.13252859	-0.120047875	-0.46350303	0.7106698	-0.025456266	0.6411218	0.30294505	0.9995673	0.28632548	0.5599439	0.14288098	-0.001265195	-0.6061228	0.99993026	0.75112313	0.26072448	0.4667179	-0.35537148	-0.67173	-0.31454486	-0.9992742	0.032210425	-0.5158366	-0.36101368	-0.62640595	0.28417516
165	0	CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	-0.063161485	0.25924477	0.22514534	-0.5105158	-0.2724844	-0.7565281	-0.54174984	0.5515689	0.48337564	0.05696417	-0.22747892	0.026804458	-0.46740365	0.6176661	-0.5177969	-0.7341978	0.3927824	0.07979308	-0.011554783	-0.15044495	0.4310591	0.36761883	0.35641834	0.8836043	-0.096837185	-0.43253744	-0.38575006	-0.30280778	-0.017844051	-0.5830579	0.31965685	0.25834602	-0.63277155	0.5980553	-0.12827295	-0.37400472	0.15381086	0.53279364	0.9983615	0.1780489	-0.9761511	-0.24476612	0.2745596	0.33010736	-0.5782619	-0.606215	0.22667302	0.5111296	0.90859044	0.11123769	0.6816328	0.037302434	-0.7158256	-0.20410396	-0.6229672	0.2267512	-0.31436124	-0.64198536	-0.29347855	0.36365533	0.40451407	0.774185	0.19789773	-0.24229585	0.31436604	0.74310505	0.5976394	0.27004802	-0.32355493	-0.50390965	-0.43941694	-0.83407855	0.5825525	-0.61222774	-0.07449513	-0.6194065	0.050324183	-0.26131082	-0.31013772	-0.9997283	0.902695	-0.3197981	-0.9016617	-0.2056838	-0.2546425	-0.7843636	-0.13264112	0.61269605	-0.66337854	0.43315768	-0.3320166	0.15475866	-0.18711555	0.34252095	0.9997749	-0.5134391	0.37867126	-0.3643758	-0.39947984	-0.13547897	0.18044817	-0.13952866	0.38508245	-0.6323253	-0.9844025	-0.78074235	-0.26320115	-0.0679445	0.9938302	-0.035901345	0.7998163	-0.3043635	-0.64951336	-0.5571724	0.30901548	0.4493737	0.41044435	0.24289544	0.99605364	-0.6726773	0.3252458	0.012377673	-0.23829897	-0.79766375	-0.7298385	0.5661911	0.18898538	-0.012805788	0.34057698	0.9997741	0.1403811	0.39083076	0.08321712	0.28663093	-0.72036314	-0.9908312	0.64574164	0.49341953	-0.83877754	-0.62649125	-0.9980494	0.33979148	0.39415416	-0.201432	0.06336157	-0.4826759	-0.26172796	-0.27360144	-0.6556839	0.10775256	-0.7514561	-0.14062327	-0.43020502	-0.29096672	-0.79852235	-0.1357476	0.29194853	0.07832882	-0.94843554	-0.881715	-0.8135082	-0.555178	-0.112186804	0.3887824	0.27906144	0.6933112	-0.5166652	0.02519672	0.26558512	0.51948076	0.001201659	0.2336963	-0.3401209	-0.12876834	0.5578124	-0.7462361	-0.80617625	0.030383922	-0.31958753	0.32029825	0.31057206	-0.99733794	-0.74467754	-0.78744173	0.5343016	-0.30355412	-0.37135234	0.19736576	-0.80736506	-0.8679832	0.21122965	0.29534394	-0.00555551	0.20215335	-0.53239626	0.5287231	0.70480925	0.90387446	-0.061697073	0.73738754	0.072597876	0.43378222	0.33038107	-0.09522849	-0.6405188	-0.81390274	0.16275032	-0.14839314	-0.06697731	-0.9991691	0.008141995	0.07316513	0.21247262	0.24171068	0.16439036	0.773774	0.19981566	-0.31639338	-0.37038362	-0.59871054	0.07320675	-0.71135736	-0.19426471	0.5334167	-0.97970843	0.10919069	0.28645372	0.5758718	-0.25236824	-0.8465723	0.15399228	0.26206267	0.53978914	0.19620717	-0.4515003	0.46055725	-0.3329299	-0.22864465	-0.3922124	-0.4411226	0.40022776	0.5388916	0.4572681	0.09584501	-0.33719453	-0.2386759	-0.66538954	0.20184317	-0.012117651	0.015371325	-0.63892984	-0.99835074	-0.6334581	0.36453262	0.26346782	-0.35533178	-0.14199507	-0.6851373	-0.12412304	-0.3108959	-0.77932525	-0.033158515	-0.6264087	0.24911188	0.6531987	0.42132777	0.30438596	0.35545048	0.93565	0.13302527	0.63007826	0.94445586	0.39517385	-0.28549066	-0.25133866	-0.6152286	-0.55561155	-0.59075356	-0.88024986	-0.31037682	-0.26615417	0.99498403	-0.35973728	-0.56015986	-0.1791569	0.7355214	-0.3610559	0.9295207	0.95756644	-0.33707422	0.39584747	0.9120771	0.26809546	0.97287416	-0.4144578	-0.5702738	0.9987987	-0.9824664	-0.7745943	-0.15161622	0.4923012	0.9099197	-0.8106049	0.30651772	-0.40889677	-0.39259866	-0.8772103	0.054304704	-0.13335642	-0.36418915	0.39455858	0.23940001	0.46672118	-0.43950167	-0.91897863	0.32793266	0.39294603	0.2800629	-0.9999824	-0.28003073	-0.054078724	-0.23755729	0.8128348	-0.89341027	-0.31296888	-0.6006129	0.21091498	-0.92763865	-0.2200263	-0.3863668	-0.45630673	-0.52929765	-0.6621008	-0.018157894	-0.8103831	0.2602631	0.101244524	0.35370043	0.08074838	0.76897925	-0.5391218	0.8521459	-0.20413817	-0.34082642	0.5349184	-0.22722414	0.8497029	0.1058895	0.16781032	-0.691348	-0.8891576	0.001236826	0.058603115	0.068612516	-0.018949663	0.43362558	-0.037939582	0.99979705	0.07776874	0.46220356	0.34165606	-0.3845955	-0.4968122	0.28292534	-0.6930918	0.07142071	-0.48807833	-0.1234567	-0.17416547	0.2582137	-0.537263	-0.2769293	0.5039514	-0.023772491	0.115168564	1	-0.3930859	-0.22482133	-0.41153446	0.6003884	-0.11021007	0.36073822	-0.49828258	-0.008530737	0.67176485	-0.16081755	-0.50848806	-0.05320722	-0.58315754	0.7243127	-0.10282693	-0.7070412	0.34833553	-0.57925	0.181967	-0.9013687	0.4532576	-0.7106847	0.81599575	-0.05607853	0.90505356	0.22770475	-0.3246097	-0.1569064	0.41271377	-0.57337123	0.11737981	0.9979495	0.45347688	-0.2136416	0.7905185	0.39569083	-0.6936786	0.88072944	0.65660864	0.12896736	0.9999999	-0.46210372	-0.9480939	-0.29151484	0.9996128	-0.7765556	-0.5495702	-0.9999651	-0.39139974	-0.19128858	0.8481743	0.17854384	-0.011438149	-0.15153715	0.21395196	-0.63477266	-0.21440244	-0.1043043	-0.5313027	-0.31830826	0.21825714	0.3371498	-0.9999386	-0.9972412	-0.8154413	0.5674754	0.49707508	-0.25828242	-0.7094307	-0.59915125	-0.8171088	-0.8664152	-0.23254271	0.6440987	-0.88843113	0.61787647	-0.4086369	0.14990507	-0.41852593	-0.19298783	0.07481348	0.48857185	-0.99988973	0.22989474	-0.16962266	-0.40871602	0.11611822	-0.13889858	-0.073932745	0.7711537	0.49618775	-0.86463255	-0.41761515	0.40031025	0.6119571	0.95989877	0.6295399	0.18669462	0.49775115	0.14220363	-0.61104906	0.41725403	-0.08385046	-0.5346697	-0.41494	-0.21024697	-0.32576537	0.34324053	-0.21000466	0.29864794	-0.50483286	-0.27608722	0.29192126	0.81652564	-0.20001428	0.3854186	-0.13524741	0.9759419	-0.46551168	0.12035043	-0.6924937	0.8075053	-0.6826508	0.99734885	0.5168936	-0.32767838	-0.75439197	0.6258853	-0.56973606	0.10002107	-0.97463685	-0.4196691	-0.44165653	0.47775164	0.63037735	0.11918565
166	0	O=C(Nc1ccccc1)c1ccccc1I	-0.7749094	-0.11105716	-0.370315	0.06308087	0.043011032	-0.74384344	-0.63990784	-0.1652549	0.6506381	-0.06454516	-0.80927765	-0.18987483	0.003928781	-0.5340304	-0.4137723	0.67493653	0.401314	0.47437003	0.16961026	0.3500402	0.36605304	-0.87869793	0.07328509	-0.05620349	0.016230254	0.61735636	0.21894598	0.16938993	0.27619824	-0.15937914	0.056153424	-0.14947988	-0.47945184	-0.2496415	0.42953464	-0.07789719	0.3054649	0.7243432	0.8940306	-0.92918956	-0.99632823	0.015143706	-0.19458257	-0.29794487	0.2502272	-0.9907564	-0.036402095	0.16136955	0.91235393	-0.28040144	-0.2819932	-0.33814052	0.40913045	-0.3478447	-0.8941769	0.3981347	-0.7142473	0.8564075	-0.16409422	0.42271137	0.027707612	-0.051411893	0.46147564	-0.33094123	0.33274886	0.42786077	-0.359179	0.37599698	-0.1831559	0.39243907	0.043236252	-0.93316287	0.64536494	-0.31872278	0.6920852	-0.4480104	-0.6139019	-0.30533496	0.24229938	-0.9972863	-0.16807604	0.3910433	-0.76558214	-0.19550887	0.44337693	-0.7292034	0.11982683	0.008497957	-0.40306526	-0.079540364	-0.28771517	-0.15980324	-0.15581502	0.44426408	0.89849627	-0.122349195	0.37766066	0.2587685	0.008246935	-0.110260494	0.113468364	0.33323288	-0.20819625	0.92299336	0.21089375	0.09895575	-0.17992984	0.22080298	-0.76422524	-0.058127668	0.03643724	-0.041995864	-0.004966993	0.034633905	-0.2887666	0.1314422	0.10607446	-0.012902395	0.99823254	-0.36591533	-0.24834846	-0.3432064	-0.1304263	0.64069736	-0.5818607	0.07602651	-0.24828723	-0.063679054	-0.13630754	0.9998505	0.30150414	0.60923266	0.5052493	-0.293934	-0.1827154	-0.9574326	0.5738822	0.6994782	-0.5711196	0.6218401	-0.9998642	0.095996104	0.9863262	-0.050454605	0.5493791	0.37332997	0.27638096	0.09744292	0.946425	-0.59627366	-0.51017654	0.70590234	-0.11457932	0.001656627	-0.366609	0.12062014	-0.35344833	0.9924285	-0.26896858	0.45958367	-0.9836144	-0.07320454	-0.10549346	0.21242979	0.020424005	0.2330737	-0.5477562	0.24355885	-0.49745896	0.56484234	0.16746868	-0.40486866	0.38599288	0.21582326	0.051988132	-0.97798645	-0.74694234	0.4828631	0.12041762	-0.100969195	0.008196883	0.12303325	0.029452724	-0.34378687	-0.90851486	-0.47912407	0.001777893	-0.33043787	0.09564416	0.17838149	-0.20136729	-0.38884094	0.25028932	0.25471818	0.50973046	-0.67062503	0.19670878	-0.7787158	0.71367943	-0.021533232	0.29894477	0.119273074	-0.19628824	0.086124204	0.22575277	-0.04018854	0.51904327	-0.14805987	0.29072076	-0.9985271	-0.056534745	0.0802601	0.42361823	-0.43547046	0.03026821	-0.28591183	-0.5521471	-0.23399492	0.15587716	0.093111955	0.22479081	-0.056239896	-0.60173875	-0.32612494	-0.93339545	0.03977605	0.40995997	-0.32510385	0.38217145	0.37718076	-0.03860416	0.2378132	0.4829622	-0.5699511	0.14042838	0.10721936	-0.5675694	0.18784261	-0.61417955	0.10720405	0.8710908	-0.12027258	0.002449303	-0.36201054	0.644147	0.4000052	0.12254228	-0.051503792	0.31101483	-0.30036375	0.77823514	-0.97534364	-0.23669934	0.52486145	0.38806218	0.3168284	0.067367576	0.5674649	0.29704157	-0.097415395	-0.08934038	0.5302338	-0.6242885	-0.30765733	0.5222081	0.3649904	-0.21928905	0.39230022	0.12425723	-0.0911783	-0.44839436	-0.5537492	-0.06390904	-0.0765773	0.38266465	0.88973945	0.03484005	0.45507863	-0.024534427	0.5406855	0.24652182	0.99957025	0.1509075	0.50671875	-0.036008302	0.23148523	-0.263444	-0.071394935	-0.5338437	-0.061496027	0.39027137	0.99837595	-0.100095846	-0.2504752	-0.055464365	0.24733995	0.9999582	-0.9885988	0.103874914	-0.1270733	0.1657341	0.15806574	-0.14960727	-0.40886813	-0.27063224	-0.5558689	0.90361714	0.37719446	0.7321543	0.05090575	-0.32490236	-0.83154875	0.17187618	-0.098279595	0.8594896	-0.4717612	-0.04946408	-0.45232415	-0.9851827	0.13295934	0.1126582	0.5863593	-0.16545904	-0.55934685	-0.7525375	-0.118630365	0.21866505	-0.97259754	0.020029262	0.07551979	-0.326866	0.5397005	-0.18956403	-0.5612629	0.37571827	0.61373967	-0.47474235	0.24748997	-0.63899297	-0.06795472	0.34523475	0.32153893	0.14290875	0.7941403	0.012822189	0.10040184	0.28015706	0.23960301	-0.6946595	0.6107318	-0.99572426	0.37403455	-0.06266793	0.21871407	0.16108568	-0.22972669	0.064662	0.9997702	0.105429776	-0.4504334	-0.11476716	-0.3508132	0.4331959	0.1607082	-0.8933516	-0.3188603	-0.3623574	-0.5766342	-0.15415427	-0.17330499	-0.5386221	-0.24089444	0.13418935	0.9002208	-0.32867616	0.9982558	-0.11735405	0.04043568	-0.47646546	-0.29581332	-0.81018543	-0.4294048	-0.31460243	-0.48798564	0.19773683	0.110419154	0.27736446	0.18095309	0.3621729	0.6297141	-0.20076813	0.22508012	-0.08164012	0.29893178	0.23278071	-0.18681781	-0.025190616	0.11793276	-0.018846966	-0.29294866	-0.8824024	0.051898748	0.33884314	0.6713264	-0.2515908	-0.6493335	-0.48230055	-0.5941567	0.38844067	-0.2742941	0.6656503	0.49051285	0.14168718	-0.37999994	-0.00196615	0.2845694	0.99997395	0.20760712	-0.9927173	-0.08236534	0.99973124	-0.59474266	-0.3742545	-0.9984644	-0.12787113	0.09060415	0.32727623	0.44764593	-0.4285953	0.21341826	0.11415393	-0.24135008	0.18556528	0.24273713	-0.31656346	0.38811335	0.26784122	0.025137158	-0.99997497	0.9736392	-0.9524685	0.3221008	-0.232588	0.052764382	-0.13735306	-0.6816381	-0.83998793	0.6759439	-0.05377372	-0.20005156	-0.82515633	-0.5385588	0.39037332	0.123918004	0.01864309	0.0898057	0.021357764	-0.8941746	-0.99992156	-0.47317374	-0.43234634	-0.16499865	-0.43001914	-0.31379783	-0.9956949	0.073738255	0.06134752	0.61659867	-0.38858175	0.33722684	0.44247663	0.9707294	0.45235276	0.84632313	0.63431334	0.31354192	0.037531897	-0.7212573	-0.37637556	-0.13014676	-0.14421637	-0.4182616	0.60590076	0.19848973	0.116212346	-0.38331258	-0.13010547	-0.35853934	0.05892521	0.6553401	0.03321245	0.21165791	-0.15337498	0.4416386	-0.26284224	0.30772644	-0.6106312	-0.24073498	0.10793461	0.9998937	0.5970484	0.0832389	0.33791754	-0.24533299	0.3605262	0.1590767	-0.5172092	-0.066963986	0.26556262	-0.09078769	0.4932734	0.5759202
167	0	COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	0.97427094	0.52914387	-0.26079455	0.34040213	-0.4137575	0.35024923	-0.3229386	0.10330022	0.05053598	-0.0901456	0.7416592	-0.36404556	0.34824297	0.325155	-0.38402736	-0.43053934	0.013347412	0.22479565	0.2203195	-0.49221566	0.4046214	0.016740205	0.27470034	0.17584613	-0.08825852	-0.5859014	0.25803524	-0.13925333	-0.842047	-0.23563801	-0.7479317	-0.8025781	0.103947446	-0.16767499	0.84554285	-0.5154507	0.5072494	-0.41867113	0.99971443	0.66114	-0.43669105	-0.3104501	-0.033098113	0.55416524	-0.6114736	0.726957	0.13215174	0.22481115	0.12644812	0.6237372	-0.20678537	0.14959253	-0.83066165	-0.020920854	0.62123215	0.3490768	-0.50344473	-0.91547704	0.10919056	0.28366056	-0.085329324	0.5694357	-0.24710216	-0.16627277	-0.5075994	0.60599005	-0.332808	-0.6381781	-0.0804804	0.6745479	-0.9790651	-0.9997811	0.21851915	-0.38332266	-0.8723004	0.14378157	-0.4698506	-0.6806431	0.79994386	-0.99991053	0.32358852	-0.16687256	-0.88596624	-0.061220802	-0.35932255	0.36543092	0.6260977	-0.54375964	0.10200722	-0.020250365	-0.22920974	0.026153317	0.7496337	-0.763579	0.99999315	0.42075908	-0.9256299	-0.18528695	0.00087931	-0.58836246	0.4567793	-0.58122003	0.4070951	0.92224187	-0.99878395	-0.994592	0.39717156	-0.111518964	-0.9996499	0.65595794	-0.58188486	0.45583174	-0.5577657	0.18316826	0.045884408	-0.3054229	0.26812443	0.1993515	0.92909604	-0.20492336	-0.77278715	-0.4255806	-0.5255104	0.6927213	-0.23620948	-0.7882074	-0.77108717	0.1798691	0.020647585	0.7520891	0.42432916	0.14987986	-0.000295714	-0.18250966	-0.44209936	-0.9430018	-0.7580665	-0.33446488	-0.7305233	0.37347624	-0.99997205	-0.7632115	-0.94404143	0.21667254	-0.22489685	-0.35420677	0.3982219	0.20340072	-0.99494004	0.69082046	-0.41165903	0.78876925	-0.4475901	0.21703006	-0.6199719	0.5791604	0.11314708	-0.8885198	-0.84875923	0.89704853	-0.004817999	-0.24092592	0.2526521	0.42497593	0.15125586	0.03851518	-0.58439505	-0.18306234	-0.3683888	-0.0752784	0.47514406	0.59155995	0.24817052	-0.31340033	0.32525676	-0.1355534	-0.40670928	-0.39482203	-0.7477393	0.26687676	0.06742799	-0.9999517	-0.06260824	0.056475565	0.87662214	-0.11436177	0.19408005	0.052139	0.6840194	-0.005401566	0.5372596	0.22965883	0.5186156	0.009071837	-0.5016408	0.54949856	-0.469011	-0.8914514	-0.6121803	-0.13747345	0.443151	-0.47083235	0.37751946	-0.1280456	0.34147385	-0.2760908	0.7512095	0.052329674	0.67519957	-0.99995935	-0.41817695	0.111097656	-0.42614552	-0.018306026	0.42142138	0.15945071	-0.090262674	-0.21115124	0.73361415	0.13534755	-0.23731154	-0.45459518	0.67038095	-0.022891324	-0.98281306	-0.65224576	-0.3210757	0.49219307	-0.62878644	-0.043821562	-0.5012899	0.401847	-0.4083036	-0.45225826	-0.2530506	0.27620578	-0.33875442	-0.3298495	-0.2148529	0.3920345	0.8296652	0.12093007	-0.14552575	0.40736726	-0.06363912	0.6120657	0.39075124	0.47014338	0.25680855	0.21971251	0.7893623	-0.97798795	-0.13821411	0.8438217	-0.19646212	-0.7466975	-0.7948388	0.08401519	0.46850765	-0.08350874	-0.40574104	-0.21123241	0.5285189	0.28229332	-0.17524888	0.8092216	-0.5702371	0.81897044	0.6637754	0.3980763	0.7526045	0.9952914	-0.541192	0.102278695	0.5729887	-0.93496054	0.56570995	0.8912801	0.8213487	0.7538015	0.16555212	0.954047	-0.81356597	-0.4504691	0.2946092	-0.6595774	-0.22975193	-0.88791734	-0.998969	-0.3175812	0.65621763	0.3859708	0.10150319	0.30762738	0.45099393	0.22580859	0.9999864	0.47996366	0.19587141	-0.25198472	0.028040133	0.5410981	-0.60194063	0.5436628	0.51053816	0.6107551	-0.99743843	-0.5863971	0.81886894	0.11008316	-0.17294586	-0.0561246	0.39646527	0.55146307	-0.9877329	0.1533394	0.6424378	-0.26159662	0.9681882	0.50796485	0.6193688	0.7178259	-0.1570895	-0.5939813	0.6419393	0.19232742	0.14437655	0.15588552	-0.54681605	-0.041628387	0.7613916	0.06081755	-0.6836401	-0.46315044	-0.18891217	-0.973192	0.17123763	-0.65286374	-0.59596485	0.25347146	0.45158496	0.30405524	-0.25550672	0.70213306	0.4553096	-0.65837365	0.20903738	0.2832794	0.07288915	-0.9791192	-0.08790432	0.59402436	0.026793672	-0.4689196	-0.53407604	-0.8968164	-0.21789281	0.99938303	0.39140671	0.60161555	0.11340387	0.4412625	-0.49097726	-0.19347723	0.48694205	-0.3635624	-0.5047255	0.039078254	-0.013597299	-0.54945356	0.7115888	-0.04076303	0.33139938	-0.855053	-0.37413803	0.99179506	0.2270538	0.07386735	-0.16185795	-0.11142043	0.47578758	0.33690718	-0.25714117	-0.44950962	0.6793995	0.3439107	0.21144804	-0.21205382	-0.2983393	0.65541935	0.71296716	0.22345538	0.048053026	0.26019785	-0.26354674	-0.7818707	0.45782584	0.8236522	-0.643795	0.8545872	0.9995491	-0.43274677	-0.6633466	-0.15712807	0.2791209	0.4540777	0.49835068	0.73234516	0.20636459	-0.75305814	-0.6724333	-0.80015224	-0.19199887	0.20464191	-0.336176	-0.8467357	0.9321215	0.033140156	-0.9126051	-0.69437474	0.99830896	-0.065626904	0.039476555	-0.97734827	-0.22012687	-0.93178046	-0.24664038	0.32684776	0.3303102	0.4293551	0.27373308	0.94580215	-0.1977935	0.72947544	0.48677105	0.17136765	-0.3097503	-0.36893126	-0.9997863	0.99647576	0.5026049	-0.17300576	-0.5459154	-0.21351483	0.2806079	0.6426079	-0.8577389	-0.7222919	0.088808596	0.4574463	-0.17183203	0.18697672	0.2719788	0.85715866	0.035787374	0.39758208	-0.8639451	0.8502069	-0.99809754	-0.052638132	0.79571414	0.25076446	-0.3408671	-0.24943891	0.991813	0.80088913	0.90274084	0.55925596	0.46841404	-0.30783355	-0.42685348	0.96899444	-0.7499448	0.3185793	0.22046109	-0.71155226	0.66590667	0.33098343	0.103446215	-0.68870187	-0.14977807	0.96594244	-0.6990259	0.12235991	0.2334516	0.03802526	-0.1614525	0.31230637	-0.5937229	0.69796294	0.052052125	-0.064041056	0.7825396	0.9992836	0.104890734	-0.5233911	-0.12285008	-0.614731	-0.6286131	0.99998194	0.08243472	0.621463	0.20080213	0.026606988	0.019142343	0.39067227	-0.99904174	0.27543318	-0.70933217	-0.85037977	-0.24978584	-0.10449526
168	1	CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1	0.85327846	0.21508057	-0.52168167	-0.019049086	0.23071685	0.2406472	-0.96469295	0.6517192	-0.43028864	-0.46349514	-0.65746915	-0.023200054	-0.62318355	-0.19827428	0.17306988	-0.44775537	-0.75111985	0.05260907	-0.28807667	-0.617916	0.42776608	0.43062526	-0.48051026	0.23556383	0.4175323	0.07128967	-0.70483965	0.43621337	0.29647234	-0.1694701	-0.08029283	-0.71460813	-0.62024057	-0.5686717	0.37251133	0.38658488	-0.11543732	0.2529047	0.999391	-0.55224216	-0.8865331	-0.21988073	0.3195101	0.23508804	-0.26548076	0.088826984	0.046049047	-0.35192752	0.9795668	-0.65444285	0.15924048	-0.77896935	0.25692418	0.583334	-0.12604205	0.7286713	0.43107042	-0.64613545	-0.017560907	0.6496444	0.31101754	0.6729155	-0.08113476	0.22516353	-0.8353397	-0.2959367	0.50785136	0.006344979	-0.008813607	-0.1976341	-0.48171136	-0.9430192	-0.4812915	0.67273134	0.02133352	-0.8635781	0.75534797	-0.82936126	0.3839347	-0.9997904	0.20997295	-0.22704878	-0.8527247	-0.561366	0.622334	-0.76986736	-0.15039417	0.5855971	0.025988966	0.18263415	0.13374378	-0.46846095	-0.034127906	0.12680723	0.99977046	0.5699707	-0.27140957	-0.3683119	-0.16565062	0.007065404	-0.3733522	-0.12066398	0.25050622	0.92838895	-0.99556154	-0.89232147	-0.10058193	0.8679899	-0.9478929	0.7111064	0.5729298	-0.09222897	-0.53809	-0.59651124	0.35770056	0.6123021	-0.40185288	0.6868957	0.9823837	-0.3025263	-0.54764146	0.27725127	0.5981303	-0.2133467	-0.45699948	-0.1627492	0.29645807	-0.2503768	-0.24743447	0.9984527	-0.018266113	-0.45716867	0.056472518	-0.17577358	0.13047394	-0.9718575	-0.54772824	0.24059239	-0.3688962	0.31485316	-0.99734414	0.12989357	0.29281303	-0.23252891	-0.088658355	0.3118981	-0.61130047	-0.43402043	-0.9599342	0.4123616	0.36059427	-0.1789956	-0.19323847	-0.15561095	0.64925224	-0.25920033	0.5940644	0.16629797	-0.76966316	0.31331635	-0.5455522	0.02920379	-0.27874908	-0.17321302	-0.5816772	-0.6540429	0.039786007	0.856844	0.3428679	0.5563519	0.16660248	-0.6406036	-0.016810348	0.34758818	-0.4317434	-0.77198833	-0.22772904	0.57214373	-0.7565836	0.57263464	0.19614401	-0.9871469	0.4607693	0.78533345	0.5679054	-0.19578706	0.7796117	-0.2761768	-0.25828993	-0.6934665	-0.4474353	-0.4506804	-0.026283097	0.65799683	-0.61619866	-0.19138739	-0.3087486	-0.9324099	0.39962798	-0.20518081	-0.06742289	0.3719208	-0.51786053	0.16129895	-0.5901106	0.42923662	0.1064977	-0.60591894	-0.014189545	-0.9998989	-0.46632156	0.5799117	-0.52582777	0.08833755	0.5212327	-0.34413487	-0.6465124	0.25114867	-0.8544099	0.52542645	-0.23041667	-0.5133173	-0.5437671	-0.31761682	-0.98012865	0.2513864	0.24710412	-0.8047385	0.002559077	0.574237	-0.35703656	-0.26124817	-0.14445558	0.21790443	0.27077138	0.33741516	0.22069365	0.6817359	0.39775825	-0.49633813	0.6707587	-0.15949637	0.018746633	0.006698583	-0.107841626	-0.7177476	0.6337552	-0.6023344	0.016054612	-0.30684638	0.6738222	-0.9978056	-0.5643404	0.3293622	-0.051186584	-0.11859171	0.2808041	0.66821194	-0.1122588	-0.5572458	0.2305699	0.12421299	0.5559993	0.5313115	-0.30306438	-0.33134422	0.014597503	0.20068371	0.56179196	-0.30158767	0.5180634	0.9982415	0.24837157	0.77299875	0.8637959	-0.5463231	-0.21561009	-0.04892863	0.08521545	-0.08887541	0.23365901	0.9903848	-0.7012062	-0.5102409	-0.85434717	-0.44668627	0.53786755	0.59327227	-0.95910674	-0.7299138	-0.054654166	0.9139495	0.64069754	0.25527328	0.7138897	0.24957253	0.99152064	-0.9121275	0.3449204	0.37160715	-0.6954797	0.7264431	-0.3078316	0.026357178	-0.29421562	0.46086556	-0.89507926	0.18316697	0.748715	0.10114029	0.38794857	0.4475034	-0.2362632	0.23370773	-0.75566417	0.575051	0.24702378	0.74979055	-0.94502103	-0.071470626	-0.5095686	0.3131053	-0.5291293	-0.7714111	0.66512203	-0.3960124	-0.40631798	-0.68690896	0.49736795	0.8201943	0.4009993	0.5229849	0.6629259	-0.10009619	-0.4004102	0.097076274	-0.17272949	-0.17185268	-0.5118562	-0.13780107	-0.5612972	-0.40393034	-0.51900345	0.5225442	0.364976	0.11819774	0.4764914	0.7698715	-0.08415186	-0.8717021	-0.8467534	0.1353444	0.47645018	0.14227164	0.6793258	-0.17462347	0.764393	0.9999343	0.36042768	0.5691202	0.5896892	-0.03721811	0.2650581	-0.7342431	-0.21013662	0.51170254	-0.45364663	0.10015128	0.027870463	0.69087964	-0.041795082	0.501875	-0.2382621	-0.21732686	-0.07783224	0.99999994	-0.035164107	0.14098537	-0.117202744	0.13460696	0.08640771	0.17989211	0.5980698	-0.09402821	0.13838044	0.5619443	0.083719924	-0.07716675	-0.39392573	0.36441544	0.2984443	-0.32131925	-0.4460551	0.13025847	0.22823893	-0.9462783	0.08794965	-0.2822453	-0.6577494	-0.39765933	0.9258315	0.35950327	0.57978714	0.25217736	0.34493488	0.33424184	-0.074689545	0.21034604	0.25477698	-0.43563434	-0.6057277	0.533042	-0.22824314	0.21445405	-0.35386506	0.006477089	0.9999097	-0.6048848	-0.97792554	-0.032088313	0.99983114	-0.3772973	0.1936375	-0.9988456	0.06045092	-0.9261121	-0.66925853	-0.68485785	-0.40325448	0.025082152	-0.1055946	0.49077135	0.3110149	0.35870555	-0.6443714	-0.31932712	-0.08713088	-0.29313964	-0.99982476	-0.99619925	-0.43592864	0.2040902	0.29818037	-0.21404487	-0.42221424	0.25894266	0.3271393	0.51281327	0.509326	0.5525908	-0.42844847	0.070107855	-0.27105168	-0.09278062	-0.15274508	0.061680105	0.3644418	0.6828316	-0.999024	0.11757497	-0.018386936	-0.14275508	-0.8264565	-0.6709607	-0.32803383	0.74823755	0.80582505	0.41663957	-0.16901995	-0.8904261	0.2356449	0.79714125	0.5088027	-0.18119632	0.42275527	-0.4610332	0.4483682	0.5245919	-0.019551847	0.33267352	0.47929537	0.4872911	-0.9947995	-0.6095977	0.006605488	-0.8067549	0.27883708	-0.24786218	0.028190287	0.36732197	0.0000206	0.45051137	0.4401466	0.9916222	0.4715405	0.5262391	0.611477	0.027392587	-0.7390269	0.9999321	0.67287606	0.08166985	0.41992664	0.05945163	-0.090249546	-0.3188008	-0.9946339	-0.18925895	-0.03690845	-0.5516122	-0.12265537	-0.19268447
169	0	CC(C)N1C(=O)c2ccccc2NS1(=O)=O	-0.2978508	0.07073321	0.6647988	0.5642292	0.123511456	-0.22824906	0.119279034	0.43353936	-0.23832622	0.104926586	-0.4786067	-0.5201894	0.41886595	0.17108954	0.17233428	0.35326478	0.1602714	-0.40247214	0.076942354	-0.1295044	0.77922213	-0.46093342	-0.48467663	0.25917986	0.29523104	0.5304982	0.12130776	0.5130153	-0.17334631	0.061227858	0.059414938	-0.3217619	-0.25829452	-0.3685735	-0.55364937	0.10620442	0.68883526	0.4421845	0.9827762	-0.5612804	-0.98894393	-0.17777526	0.34537822	-0.13113204	0.27931905	-0.97888774	0.32785687	-0.65189797	0.5567035	-0.2607448	-0.3989348	-0.26104045	-0.20183025	-0.24800102	-0.4899732	0.47629255	-0.5204854	0.44768593	-0.26343003	0.43261474	0.35089448	0.09353929	0.314825	0.11888445	0.41317424	0.77768993	0.030770041	0.23265514	0.102537155	-0.20994149	-0.67423207	-0.9994204	-0.2742011	-0.047742695	-0.4607047	0.048981614	0.021822905	-0.3513558	0.53846467	-0.9998254	-0.7280228	-0.42797422	-0.83488744	-0.033941597	0.39556536	0.66471213	0.39570838	-0.028173696	-0.07465864	0.54086685	-0.29406404	-0.57327396	-0.58284205	0.31646565	0.99861324	-0.57652587	-0.64846796	-0.19123982	0.21103217	-0.41365424	0.36215007	-0.70987886	0.4378716	-0.58111715	-0.53515536	-0.33672968	0.20816244	0.3404641	-0.9770741	0.33121642	0.3736138	0.30695763	0.21529612	-0.5247166	0.32476234	-0.2928765	-0.4142697	0.119048305	0.99946535	-0.74582046	-0.114274785	-0.5154037	-0.15167606	-0.39418063	-0.5602508	0.04433756	-0.10139985	-0.72889185	-0.02337378	0.98089254	-0.023494806	0.006355788	0.022973062	0.42048752	0.35600585	-0.967328	0.54727787	0.69490665	-0.6823232	-0.61516327	-0.9998081	0.41902092	0.84123343	0.5123044	0.123959385	0.19109404	0.54898393	0.277009	0.79892987	0.20845322	-0.717968	0.49832663	-0.32586634	0.07803208	-0.28615052	0.038632315	0.09066146	0.9855349	-0.5097817	0.28305033	-0.9854713	0.069470465	0.36152983	0.18425436	-0.15620123	-0.4576666	0.26076397	0.746214	-0.22383557	0.038078904	-0.81979203	0.024518086	-0.016072933	0.019462133	-0.20671596	-0.95726955	-0.56249875	0.43544143	0.26201844	-0.07183869	-0.15175964	-0.99704623	0.06378876	-0.35530406	-0.69825655	0.14730269	0.7784489	-0.624972	-0.5084703	-0.38115075	0.48605242	0.48005408	0.3365478	0.17217521	-0.44381535	-0.3760022	-0.41561544	-0.7505104	-0.010590244	0.10853833	0.28828582	0.72094953	0.14072056	-0.5897483	0.3605018	0.30068684	0.8017516	0.8725008	-0.22910202	-0.9988036	-0.15654585	0.034931723	-0.039224613	-0.015959367	0.60904473	-0.45235786	-0.18704186	-0.009362252	-0.069589004	-0.2893583	0.7851073	-0.4845524	-0.5460662	-0.04153537	-0.96068853	-0.12612708	-0.18518113	-0.10759152	-0.20336331	0.38412806	-0.6927762	-0.43108994	0.6112622	-0.5778589	-0.25129995	-0.010824074	0.21821019	-0.26321727	0.12664665	-0.14797308	0.7698713	-0.15619014	0.73487836	0.009946458	0.34666586	0.15022741	-0.34754625	0.29549053	0.038015753	-0.2626347	0.40471518	-0.972174	-0.48639333	0.43065286	0.06467704	-0.51028365	-0.15488197	-0.167929	0.74145824	-0.3448271	-0.07324723	0.54797226	-0.16853067	-0.22358328	0.14948332	0.4106918	0.11934538	-0.14683302	0.004355354	-0.22228341	-0.039745644	0.36411142	0.5006618	0.21940845	-0.031145958	0.060818035	0.084604606	0.27968374	-0.64290214	0.20235083	0.16422331	0.9994729	-0.4757875	-0.59262484	-0.3153144	-0.51044905	-0.5273713	-0.4779027	-0.45991218	0.5900889	0.74966836	0.9982054	-0.2906545	0.9029091	0.24750862	-0.2251345	0.9999902	-0.7025246	0.3861312	-0.049351893	-0.3488204	0.6535465	-0.010441474	-0.85073334	-0.4113129	0.5788838	0.8937749	-0.44231305	-0.42383128	-0.3337182	-0.0561179	-0.47995138	-0.09668482	0.06249716	-0.92121685	-0.28208467	0.4992964	-0.12077634	-0.9749609	0.242056	-0.46795636	0.5982878	-0.0744698	0.11189483	0.44855765	0.57361174	-0.9000525	-0.7393388	-0.10839143	0.27287745	0.31009024	0.5111787	0.479304	-0.44249392	0.25477865	-0.85977197	-0.032290336	0.3269987	-0.5318646	0.2827887	0.15436743	-0.009319535	-0.3964203	0.754355	-0.44567862	-0.15243173	0.6396217	-0.12213725	0.4541496	0.357495	-0.98557764	0.6459842	0.42235276	0.55068403	-0.027572779	0.008590741	0.37169248	0.9994164	-0.14954692	0.05684043	0.5937983	-0.23688507	-0.52513176	-0.15484127	-0.2666058	0.26539615	0.3787098	0.14726964	-0.47690263	-0.20772527	-0.12640378	-0.74804133	0.6974155	0.6107281	-0.004620345	0.9989967	-0.2006279	-0.5302723	-0.3717913	0.48471296	-0.82667524	-0.27234176	-0.19742636	-0.41652754	0.13785568	0.4130373	0.025438424	-0.4867442	0.7050816	-0.06803244	0.025467481	-0.19359778	0.14938967	-0.32560205	0.18025404	-0.28151143	-0.26276797	-0.08822473	0.89478105	0.33049506	0.6875966	-0.41128367	0.5901674	0.47409943	-0.05772953	-0.45508295	-0.76686335	0.1756521	-0.0948138	-0.12438471	0.013313437	0.22338331	-0.346612	0.7206991	-0.074689	-0.059852175	0.99997777	0.11110823	-0.98151964	0.27189234	0.999948	-0.5327627	0.12817311	-0.99827343	0.16219795	-0.01356311	0.7503508	-0.20557868	-0.2579934	-0.3841557	0.5312115	0.8455231	0.63115263	0.7007403	-0.2035631	-0.2943335	-0.3165993	-0.36006045	-0.9999796	0.9913765	-0.98373646	0.40860602	-0.44187286	-0.4098877	0.14847752	0.048236493	-0.91751707	-0.28937754	-0.31375277	-0.23731686	-0.77691543	-0.16568992	-0.49340683	-0.34393013	0.044930965	0.38581204	-0.17789748	-0.8912553	-0.99995816	-0.8004043	0.118621886	-0.4546151	-0.6109836	-0.38186574	-0.3768949	0.015851228	0.5693333	0.5851582	-0.36289778	0.21931773	0.46861508	0.8154941	0.6012422	0.7680597	0.17463213	-0.40121055	-0.29917833	-0.13213974	0.17538941	-0.1275935	-0.33137012	0.5403859	0.14802495	-0.2982196	0.002767453	-0.67113286	-0.56079656	-0.7785771	0.5009148	0.14928275	0.02431556	-0.2081823	-0.5749391	0.47708812	-0.2486856	0.7820745	-0.34792152	-0.11405861	-0.65604657	0.9998683	0.007682228	-0.16980416	0.52678335	-0.26844627	-0.25691503	-0.20564306	-0.83020663	-0.18872093	-0.00305609	-0.053784955	0.68684745	0.55078584
170	1	c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13	-0.6961786	-0.21545658	0.57124466	-0.028221995	0.28927654	-0.62189525	-0.17913121	-0.22727919	0.7143549	0.037763253	-0.77979994	-0.30653065	0.2947724	-0.58681136	-0.39063585	0.8649153	-0.3765574	0.44597155	0.48758602	-0.36421973	0.28440726	-0.8199047	-0.709816	0.3373516	0.64762104	0.4660156	0.2183356	0.39950633	0.7067291	-0.028933207	0.45416042	0.28034198	0.27285007	-0.2308342	0.21451308	0.115479276	-0.20932941	0.57218015	0.9978453	-0.97425914	-0.93017375	-0.61364716	-0.3526569	-0.439922	0.53004384	-0.86795825	0.30540046	-0.21226658	0.99168783	-0.18738934	0.2573086	0.14950639	0.22382097	-0.17814648	-0.97020876	0.46546382	-0.8966523	0.2627936	-0.39938724	0.33736187	-0.3802522	-0.043479905	-0.084207915	-0.4344712	-0.46407515	0.74287254	-0.23451295	0.38691023	0.41481712	0.62012595	0.98801136	0.45416924	0.3414634	-0.83601147	0.8313752	-0.590701	-0.004548784	0.12949415	-0.03924669	-0.99756515	-0.65684265	0.4331478	-0.8091365	0.6263946	0.2465307	-0.9592692	-0.4260062	-0.65144783	-0.7879613	0.24610542	0.5419727	-0.21666767	-0.3947783	0.5100622	-0.28352046	-0.10825749	0.867714	-0.60690486	0.7573831	0.35857165	0.7479131	0.16319543	0.3293064	0.7870502	-0.9767884	0.6874273	-0.8465727	0.6814048	0.99442047	-0.53942347	-0.48043492	-0.3450642	0.68113464	-0.053748347	-0.3082493	0.49207136	-0.6830692	0.60600126	0.99430585	0.22894198	-0.21415943	-0.34365514	-0.5374177	-0.19038685	0.38628095	0.044355873	0.5242783	0.25091606	-0.24138248	0.9999739	-0.4502763	0.09454916	0.13652952	-0.25575632	0.04019269	-0.8888154	0.8196427	0.4725905	0.014145257	-0.11125552	-0.99998844	-0.31343338	0.9882418	0.1732489	0.46926394	0.265904	0.2797111	-0.03077127	-0.7067394	0.26314884	-0.7099502	-0.8048035	0.24870737	0.3035503	0.07108852	-0.18692487	-0.15960541	0.6542115	-0.07586757	-0.78369147	-0.9276496	-0.4549319	-0.67122084	0.45887887	0.31690043	-0.40543234	0.07174661	-0.19803128	-0.079871126	0.67939126	-0.84819126	-0.007649285	0.29590422	-0.2761684	0.341019	-0.90402764	-0.87354416	-0.306508	0.17959753	-0.111808985	0.37660626	0.8898452	0.89149624	-0.48800707	-0.60008025	-0.5249764	-0.33371753	0.108031854	-0.16063611	0.5300818	0.68133515	0.09191929	-0.061244078	0.4315007	0.122602	-0.19818975	-0.13690059	-0.69054747	0.89911747	-0.5820632	0.72051704	0.32464486	-0.12152806	-0.2202057	0.54749787	0.52691793	-0.26814088	-0.73666495	0.06629002	-0.99991524	0.20080301	0.5883685	0.067469284	-0.46038875	-0.28006095	-0.00643472	-0.21083362	0.15823327	-0.86721486	0.5041932	0.4925167	0.3202718	-0.6873419	0.010862959	-0.9973877	-0.24204469	0.3343479	-0.5180823	-0.22150406	0.09673729	-0.47646457	0.04452355	-0.34944907	-0.56953305	-0.08611595	-0.15548702	-0.47046578	0.07621923	-0.440772	-0.56439835	0.7477869	-0.22191453	0.2926424	-0.4055596	0.36812612	0.030101914	0.17796211	0.39256582	0.1569815	0.5636141	-0.13029923	0.8040198	0.13888411	-0.1085475	0.3521359	-0.56796706	0.3731328	0.20595884	-0.13178714	-0.006639348	-0.46520033	0.38857213	-0.53726	-0.78228533	0.15017198	0.3913177	-0.2811645	-0.50515217	0.91059905	0.58156264	0.44556016	0.9788338	-0.33406034	0.362652	0.8361866	0.76546013	0.41480836	-0.05433386	-0.2576162	-0.22217841	-0.5033116	0.99941045	0.37469384	0.5725291	0.0624686	0.34407344	-0.7437431	0.9160824	0.9785536	0.21712953	0.39365962	0.97388613	0.36033034	-0.18495327	-0.43337816	0.6693325	0.99999946	-0.99907637	0.3973019	-0.42303696	-0.02436798	0.4533871	0.14304756	-0.06269805	-0.2691135	-0.99414957	-0.4929329	0.5931676	-0.7959405	0.31146857	-0.53591114	0.1955271	0.36367226	0.55129486	0.97041476	-0.36257392	0.2291229	-0.5481132	-0.9998974	-0.56938565	0.019271294	0.7846789	0.702623	0.34129873	-0.5398275	0.37205464	0.39445618	-0.97267604	-0.1946498	0.6155162	0.057036866	0.58416164	0.63219815	-0.44542435	0.03267774	0.9734204	0.2013373	-0.21472938	-0.44952255	-0.52572274	0.17794296	0.6835272	0.32605872	-0.7289874	-0.41707426	0.6728413	-0.33534765	-0.24469624	-0.48471674	-0.58675665	-0.98842955	0.6218851	-0.62833637	0.20658934	0.78261274	-0.093976535	0.30909163	0.9997704	-0.13575304	-0.62402046	0.37830603	-0.6739343	0.0922458	-0.30064118	-0.9771856	-0.5862018	-0.30173838	0.2255757	-0.123064496	0.18723816	-0.03878523	-0.6597188	0.79871875	0.6015265	-0.5148312	-1	0.18941657	-0.536463	-0.58907837	0.11513162	-0.90021807	-0.22553305	-0.7301776	-0.5988134	-0.75020367	-0.6762819	0.14236274	-0.39568472	0.6289679	0.5063065	0.6357879	0.56546044	-0.2352746	0.47909924	-0.18292701	0.7409853	0.17782657	-0.49422908	0.9021516	-0.8165831	-0.94193155	0.43822172	0.18909885	0.43425772	-0.26892295	-0.6294504	-0.696649	-0.8153103	-0.42821568	0.43311888	0.5703185	-0.60164636	-0.16067466	-0.101670325	0.33210045	0.082846574	0.99999946	0.7516447	-0.9786092	0.37659925	0.9990479	-0.637078	-0.036442574	-0.9998083	-0.80057603	0.0582534	0.55941737	0.101028934	0.26818365	-0.47019947	0.038755666	-0.8651644	-0.23867585	-0.6149773	-0.39002714	0.35485607	-0.15665872	-0.26413557	-0.99999183	1	-0.76000273	0.20453836	0.27932864	0.3484875	0.30907315	-0.35883197	-0.68437356	0.6399094	0.2553981	0.03752943	-0.78707004	-0.7131337	0.03188548	0.18245856	-0.37984306	0.26616842	-0.37194327	0.054444768	-0.9999586	-0.40138346	-0.08781759	0.13781287	-0.76997465	-0.28172725	-0.9989476	-0.5526828	-0.73704475	0.57473296	0.4250251	0.29287463	-0.69391704	0.9212735	-0.54074246	-0.024431892	0.5682623	0.37526253	0.25880715	-0.7986328	0.5087601	0.7741288	-0.41677576	-0.9010756	-0.98908114	-0.38534817	0.25061485	-0.24327601	-0.23820952	0.13055283	0.1452376	0.44312245	0.5991932	-0.012731776	-0.28465396	0.98537624	-0.21532881	-0.57728124	-0.7171136	-0.33136487	0.40888876	0.9996028	0.6751046	0.007256566	0.20685929	-0.059806474	0.04054845	-0.05799285	-0.98372877	-0.24474756	0.15397522	0.1825283	0.54768205	0.2587632
171	0	O=C(O)c1ccccc1	-0.790713	-0.24754721	-0.6544073	0.59528935	-0.21134348	-0.1258808	-0.42657402	-0.30253133	0.37367368	0.36779654	-0.34714684	-0.37512362	-0.22881109	-0.81362665	-0.027214117	0.5898636	0.22890204	0.81408226	0.3398803	0.15122883	0.5423276	-0.9193067	0.22498046	-0.001588958	0.55219066	0.43076006	0.5376838	0.37860417	0.26149783	0.07405695	0.09329398	0.42978024	-0.18221031	-0.3130896	0.14858125	-0.3945161	-0.25560048	0.6234462	-0.7746891	-0.9016756	-0.9991326	-0.38503498	-0.13769548	-0.40606064	0.27041775	-0.9977221	-0.00351002	-0.006081786	0.9699174	-0.1288584	0.1555468	0.5269208	-0.014616491	-0.40038642	-0.9509262	-0.10290114	-0.53991944	0.9711055	0.012146517	0.016685644	-0.13665518	-0.48089972	0.6059683	-0.22676519	0.3803368	0.25528127	0.18671186	0.59456027	-0.11084373	0.21479604	0.85688037	-0.99585533	0.008377758	0.55325985	0.024636129	0.7514448	-0.44619307	-0.2626176	0.11298376	-0.9973858	-0.67048615	-0.16580175	-0.7172016	-0.6376461	0.57690877	0.8068738	0.61199296	-0.12841804	-0.060853165	0.032604028	0.23694576	0.074149564	-0.20320182	0.13387734	0.77382106	-0.14076155	-0.40490076	0.009894825	-0.16577001	-0.26340488	0.17624286	-0.34782404	0.118585594	-0.5647685	0.986852	0.15522125	0.4610272	0.40072125	-0.732826	-0.014992435	-0.17135523	-0.36029717	-0.1824374	-0.40743834	-0.3773984	0.58755463	0.2771225	0.4124026	0.99894124	-0.1469402	0.35692117	-0.027443133	-0.58849686	0.49420014	-0.29985136	0.016153045	-0.4131424	0.24869797	-0.034653734	0.99624914	-0.14268084	0.19965856	0.13434803	-0.17072251	-0.3959445	0.03466376	0.5711913	-0.031325065	-0.5517919	0.07928652	-0.990326	-0.31504264	0.97448945	0.44648263	0.49034414	0.26320684	0.39607957	-0.019036239	0.9986959	-0.11940697	-0.41442618	-0.33697498	-0.02970184	0.5532292	-0.3850422	-0.39759254	-0.24430509	0.99952537	0.22932696	-0.74082714	-0.9931305	0.58415353	-0.2037501	-0.01251028	-0.17056866	0.12469074	0.034881074	0.5767127	-0.41684046	0.23577106	-0.7626252	-0.415872	0.17095305	0.03850158	0.13346916	-0.98072594	-0.7632439	-0.35349673	-0.3106235	-0.03318306	0.26737514	-0.77729553	-0.015233837	-0.020188808	-0.9486466	-0.19865645	0.55150336	-0.21942058	0.009404487	0.085495755	0.55722886	0.3163884	0.47053194	0.23557933	0.13641022	-0.43221483	0.32858816	-0.595583	0.50687855	-0.19291443	-0.2896156	0.3647827	-0.67673916	0.023716452	0.59052336	0.30639946	0.4710775	0.327628	-0.35014418	-0.057239454	0.2102606	-0.11660944	0.65872824	-0.51044065	-0.2395647	0.19075102	-0.16587335	-0.21531145	0.43255177	0.092584245	-0.24775818	-0.30436644	-0.10475576	0.032049254	0.9989137	-0.14880213	-0.21075065	-0.36011222	0.19117044	-0.25565287	-0.064440966	-0.19761308	0.65895295	-0.41150013	-0.03430482	-0.59030384	-0.31809932	0.29975438	-0.013738736	0.04010087	0.8912461	-0.2108681	-0.26424152	-0.49889866	0.39383045	-0.1264629	0.075635135	0.14386463	-0.41164976	-0.056151498	0.5493176	-0.99568385	-0.48901322	0.14819773	0.5340029	0.001252853	-0.5235444	0.60424495	0.30452824	0.13020194	-0.066393174	0.69579196	-0.32642442	-0.43347424	0.35839778	0.25572646	0.30512843	0.6996612	0.23230736	0.30965537	-0.004597989	-0.99611586	0.38845035	0.007161099	0.3760655	0.9417603	0.035796896	-0.34916794	-0.35377946	0.62376183	-0.15913647	0.99936795	-0.002127406	0.6032551	-0.001560072	0.14623302	-0.6360294	-0.8756931	0.4903998	-0.3609976	0.21465369	0.9995467	0.23427287	0.5496286	-0.34369478	0.4514787	0.995538	-0.656962	0.043149155	0.08485299	-0.2795557	-0.09328067	0.16960944	-0.15367953	-0.05645815	-0.018102827	0.9993371	-0.17076106	-0.38964888	-0.35530764	-0.3468099	-0.25681955	0.041108955	0.34696957	0.53417164	-0.31403133	-0.18876982	-0.40048847	-0.98676234	-0.33084658	-0.3686521	0.85689354	0.23478907	-0.4659815	-0.60168993	-0.27011073	0.29410344	-0.9664648	-0.09812535	0.005719995	0.19123791	0.24801847	-0.051155396	-0.34802717	0.34366035	-0.45657519	-0.19861627	-0.09313136	-0.6299396	0.1829759	0.63434684	-0.11834876	0.2271284	0.846153	0.31289247	0.18897651	0.3128646	0.10504656	-0.08225378	0.9632114	-0.9965207	0.38891783	-0.31481105	0.28563645	0.15785043	-0.45385054	-0.14745136	0.95009106	-0.16687083	-0.046454012	0.2201229	0.016272891	0.4985497	-0.24206233	-0.4840631	-0.090221345	-0.34888402	-0.6609007	-0.25100875	0.37658867	-0.09584238	-0.22841766	0.13325562	0.981176	0.34165862	1	-0.0726002	-0.2656061	-0.04896043	-0.7389419	-0.9520862	-0.7404844	0.15654235	-0.4679148	0.1277808	0.2299668	0.32935828	-0.012784414	0.35685542	0.5837153	-0.2189094	-0.15305384	-0.4456571	0.12949912	-0.33964548	-0.34491086	0.24590568	0.683418	0.7881698	0.5679225	-0.874592	0.49956155	-0.23410948	0.2316978	-0.4270312	-0.12882845	-0.61811566	0.444267	-0.3658066	0.06335825	0.67574537	0.21559344	-0.23003745	0.14708388	0.28737622	-0.0734845	0.999965	0.26037133	-0.997223	-0.19454238	0.9964048	-0.5262269	-0.18178913	-0.9965622	-0.30350617	0.72124815	0.46883154	0.13254775	-0.6198543	0.2615235	0.2213267	0.79882914	-0.34192005	-0.16555364	-0.18077895	-0.1522423	-0.18631954	-0.3340309	-0.9999327	-0.99963534	-0.9955063	0.113845564	-0.17798367	0.046112668	0.19881819	-0.18329859	-0.786765	0.1431596	0.45577502	-0.42760855	-0.63399446	-0.30565622	0.27183646	0.07188958	0.094687484	-0.04454446	-0.41238126	-0.9942887	-0.9998936	-0.55620694	-0.25673497	-0.30688938	-0.077406704	-0.13987333	-0.97103757	-0.34246296	-0.2977128	0.13174005	-0.1993224	-0.10983209	-0.12145229	0.84004885	0.54352564	0.9612659	0.34347865	-0.6098488	0.23793551	-0.8448628	-0.07556871	0.35016495	-0.21011963	0.5574909	-0.32400936	0.09291656	-0.28029665	-0.5638899	-0.44677624	-0.43934712	0.002056386	0.3461663	-0.013030833	-0.17967543	0.34093535	-0.9823447	-0.09891951	-0.21100855	-0.03791628	0.029821895	0.16082537	0.9976813	0.054925222	-0.044258803	0.30034262	0.068209544	-0.114971526	0.16548473	0.9258302	-0.13996023	-0.24852936	-0.32059053	0.85840464	0.56880355
172	0	O=C(c1ccccc1)c1ccccc1	-0.42701536	-0.07899256	-0.4494382	0.2519636	0.28096536	-0.3633587	-0.54057145	-0.43502787	0.6081899	-0.24778777	-0.6338186	-0.39868802	-0.060281962	-0.7919933	-0.0761956	0.7407193	0.05108749	0.72046614	-0.11329053	0.058018666	0.45129576	-0.9037494	0.13078761	-0.06887168	0.32429996	0.58280003	0.4885115	0.29914632	0.4029873	-0.14214227	-0.18196644	-0.40131325	-0.5111446	-0.28525466	0.40439343	-0.51632357	0.17794567	0.7164736	0.6259233	-0.923698	-0.9969239	-0.31362993	0.18614861	-0.67374516	0.22719344	-0.9954785	-0.017355802	0.2186249	0.9982103	-0.16107483	-0.13550308	-0.103304744	-0.028588466	-0.43664658	-0.96071005	-0.024394734	-0.59578544	0.9198958	0.06353613	0.0000717	0.09368599	-0.5116211	0.21046275	-0.3761865	0.28733855	0.24797644	-0.19604786	0.57211167	-0.26547885	0.6014258	0.9802938	-0.96713835	0.51370215	0.057261813	0.67244744	0.20096438	-0.42916498	-0.3710916	0.14278868	-0.9975712	-0.20340315	0.13712154	-0.6554972	-0.36817417	0.16830423	-0.3365316	0.057370905	-0.5659392	-0.36109436	0.096129134	0.074156806	-0.014692504	-0.31527373	0.034843873	0.51507527	0.08280593	0.5286076	0.033740163	0.25682124	-0.40007502	-0.07654247	0.011765093	-0.06807138	0.8512444	0.651184	0.09892872	0.19528551	0.50873554	0.997842	0.2740086	-0.29499775	-0.11639901	-0.2619323	-0.13169079	-0.58959746	0.64753044	0.47763628	0.26115412	0.99912244	-0.05924832	0.40695763	-0.4232293	-0.50642586	0.4817088	-0.26659006	-0.3155669	-0.2555376	-0.12189076	-0.12736337	0.9997627	-0.28079215	0.45670694	0.21347493	-0.34567532	-0.30764386	-0.7835314	0.57261723	0.39456242	-0.5604208	-0.4114931	-0.99973816	-0.24385385	0.9920266	0.30822498	0.6346687	0.24005948	0.49510333	0.3485618	0.9796907	-0.058667686	-0.50967896	-0.81957126	0.15089126	0.14939989	-0.21105574	-0.08747721	0.090323105	0.99797934	-0.08618832	-0.9550722	-0.99388874	0.6759503	-0.2367625	-0.092759766	0.21549757	0.06412132	-0.23553042	0.6054415	-0.34103227	0.14228101	-0.15314154	-0.14074108	0.06251756	-0.025850652	-0.39706102	-0.9801584	-0.76127344	0.24309427	-0.12921244	-0.37671596	0.12691025	0.061647292	-0.08566006	0.27415895	-0.9245856	-0.29527056	0.38482353	-0.3574494	-0.06606934	0.13785464	-0.07380152	-0.03911284	0.40396875	0.25668168	0.1872597	-0.33066255	-0.115026906	-0.8017703	0.7897755	-0.012377589	0.05909485	0.09586308	-0.5238961	0.36972344	0.5392758	0.0937219	0.5447362	-0.21218838	-0.22744603	-0.9884607	-0.01159759	0.26089603	0.4171441	-0.27716777	-0.20785727	0.101985335	-0.32834867	-0.45322505	0.3326231	0.53727293	-0.23984882	-0.23078905	-0.5233901	-0.111072466	-0.87877715	-0.04571017	-0.07908453	-0.3477389	0.38277674	0.34521177	-0.33896875	0.128002	0.83355105	-0.5177803	-0.23456231	-0.37042496	-0.43817562	0.13045691	-0.32354623	0.114348836	0.833911	-0.19423378	-0.109656885	-0.34495237	0.4802992	-0.26441044	-0.06869327	-0.11378213	0.06538188	-0.34819043	0.28416148	-0.96650296	-0.23372222	0.58599263	0.6953764	0.37134466	-0.29457843	0.7301509	0.5141284	-0.050456744	0.000867828	0.6902889	-0.4814635	-0.25501868	0.07318708	0.6069122	0.37396368	0.30013108	0.5010298	0.18005098	-0.6591063	-0.94539857	-0.035925273	-0.33650923	0.4076248	0.9189105	0.15683155	-0.45963395	-0.27243933	0.45599452	-0.1598131	0.99975926	0.2921528	0.21840367	0.000516577	0.14759831	-0.5758196	0.3892012	0.9544701	-0.47596282	0.341306	0.99931735	0.2467993	0.066349	-0.22434393	0.059321146	0.9999118	-0.9852419	0.40149248	-0.25755107	-0.3254436	-0.14352803	-0.22409384	0.24228407	-0.13576975	-0.85335606	0.98777986	-0.20240621	0.65625685	-0.07980642	-0.5119021	-0.6019682	0.03207553	0.04917479	0.856429	-0.49719787	-0.4291871	-0.37469548	-0.99998736	-0.020705603	-0.14611265	0.8004334	-0.1765324	-0.59284353	-0.7371405	-0.29299548	0.32493722	-0.958746	0.16277274	-0.11860331	-0.06386856	0.283185	-0.06823551	-0.5665158	0.3202491	0.5198965	-0.15517545	-0.21522754	-0.56237453	0.29294065	0.21067545	0.15178284	0.32243872	0.82676023	0.25514087	0.25215176	0.2625339	0.091862775	-0.5569169	0.86420006	-0.9976033	0.2470697	-0.41573948	0.36425	0.18196289	-0.2544252	-0.17694113	0.998585	0.047350496	-0.03979501	-0.19395074	0.05054525	0.4159383	-0.40215465	-0.81013346	-0.1713164	-0.6393133	-0.6455914	-0.2537215	-0.14435634	-0.2559108	-0.45209962	0.15671088	0.9609635	0.080989406	0.9986371	-0.070393555	-0.022696275	-0.25617832	-0.39959112	-0.92338794	-0.31337708	-0.17870004	-0.70274466	0.014118339	0.0738718	0.50473404	-0.08060384	0.48828375	0.53092545	0.3095962	-0.041422404	-0.32716054	0.075296216	0.039690595	-0.09164499	-0.27375314	0.20522107	0.6290776	-0.16222394	-0.94652617	0.40881336	0.24728215	0.24445444	-0.41350088	-0.41444075	-0.67785084	-0.21597646	-0.03793679	0.013568616	0.80254304	0.23893225	-0.11294847	0.071477674	-0.004860601	0.3912965	1	0.24615681	-0.9862197	0.12002724	0.99867725	-0.51039094	-0.26694885	-0.99991435	-0.09487197	0.18913841	0.5418241	0.3436524	-0.32671815	0.14398444	-0.005889291	0.3939596	-0.009648939	-0.097904816	-0.43861535	-0.28184772	-0.2814086	-0.12849678	-0.99998415	0.9209922	-0.9814558	0.3213192	-0.3885603	0.10945044	-0.003654467	-0.4491566	-0.8157399	0.5672845	0.04340253	-0.17566764	-0.7824646	-0.3313744	0.13625564	-0.0742425	0.06679741	0.24995282	-0.40542716	-0.9620867	-0.9999606	-0.568425	-0.17180437	-0.5423269	-0.2838458	-0.27311245	-0.9953729	-0.19150914	0.0679806	0.16832896	-0.5789646	0.17302805	-0.08952852	0.93829834	0.3268664	0.85380805	0.50338566	0.1629727	-0.06618244	-0.6829687	-0.38860476	0.30728865	0.1426325	-0.19172399	-0.4672364	-0.13285361	0.05714315	-0.5754536	-0.46671563	-0.25851238	-0.061019674	0.56663924	0.36258867	-0.35967463	0.17289637	-0.4744131	0.016172992	-0.26723522	-0.13274781	-0.32829297	0.20265451	0.99895734	0.60818714	0.07056651	0.11982675	-0.2908888	-0.043097686	-0.13810486	0.10801092	-0.088642664	0.25463548	-0.26143566	0.7482668	0.5537914
173	0	OCc1ccccc1	-0.7371484	-0.21017869	-0.12747179	0.6442319	0.015890997	0.047211934	-0.50759953	-0.069549814	-0.07436499	-0.34709564	-0.523725	-0.23697777	-0.013366897	-0.800713	0.34961304	0.5762495	-0.44001788	0.6037947	0.45869258	0.26426703	0.31736624	-0.89990675	0.2729603	0.28578323	0.5280592	0.4737032	0.5067583	0.06777385	0.46701667	-0.21609625	0.06114613	0.21739972	0.11677385	-0.12955102	0.024516037	-0.4515401	0.006036085	0.69854313	-0.91905105	-0.9195501	-0.995822	-0.26146585	0.26163435	-0.65317035	0.36757624	-0.99363863	0.33948416	0.26413983	0.9624288	0.046719644	0.17472035	-0.091728	-0.23967743	-0.37146002	-0.95661587	0.11397717	-0.1283931	0.97020173	0.04057908	0.071151495	-0.16502734	-0.24740185	0.62601364	0.10318505	0.41311514	0.1653159	0.11486298	0.5416412	-0.36311597	-0.031091817	0.902601	-0.99573445	0.36846304	0.60388565	0.27935126	0.45096335	-0.5121145	0.18005334	0.26718643	-0.99419165	-0.7089301	0.03239662	-0.7709333	-0.532404	0.6905326	0.76392436	0.32549903	-0.49569038	0.21034323	0.062033612	0.1500083	-0.13568601	-0.13305828	-0.36369193	-0.47987625	0.03713787	-0.23170069	-0.11633011	0.1004378	-0.46531498	-0.003807055	-0.117252365	-0.19743228	-0.71938336	0.99224365	0.44718125	0.37508872	-0.00634478	-0.54275364	0.34857997	-0.34176543	-0.3302184	-0.03638561	0.18063468	-0.43106622	0.7210866	0.47838798	0.23256543	0.9959481	-0.17532763	0.36358294	0.00029994	-0.13856798	0.4141745	0.43939796	-0.011647206	-0.44710413	-0.014351847	-0.13645378	0.99605364	-0.14433903	0.21124013	0.27377486	0.13407767	-0.33237645	0.5417378	0.45358703	0.3909378	-0.42879388	0.27563888	-0.99578744	-0.10585971	0.98846865	0.2843775	0.3617221	0.06294735	0.72844255	-0.02752978	0.9976998	0.038608894	-0.12852047	-0.44022214	0.012641001	0.30114907	-0.102603845	-0.37988535	0.2624519	0.99900496	0.47737023	-0.5635985	-0.9839339	0.40869322	0.27595335	-0.22832866	0.2631796	0.30557773	-0.021048488	0.2684051	-0.492986	-0.072335355	-0.65508074	-0.18122828	0.14888602	-0.10878815	-0.19579558	-0.9704725	-0.7030239	0.013774467	-0.6181182	-0.32365602	0.1724244	0.46883675	-0.13255626	0.23859623	-0.935591	-0.06096831	0.3644811	-0.000288489	0.09426225	0.15477258	0.6232713	0.55467165	0.18360323	0.2891662	-0.16826412	-0.13753182	-0.028347718	-0.73498356	0.5049316	0.1504888	-0.15532662	0.36304912	-0.7599589	0.20793253	0.37364522	0.10964987	0.479128	0.24581376	-0.5111721	0.69120246	-0.20452528	-0.31476265	0.56232923	-0.52634466	0.10745098	0.22327474	-0.54375094	-0.27882034	0.38987407	0.45227054	-0.3095177	0.06720656	0.1436343	-0.1628817	0.9964467	-0.020740706	-0.1338229	-0.43426603	0.1756157	-0.41390565	-0.15987723	-0.29482996	0.6895932	-0.3604981	0.055587213	-0.8247902	-0.33490157	-0.090777986	-0.50383234	-0.19088303	0.92196786	-0.45505837	-0.49562567	-0.009981462	0.5789183	-0.034427498	0.14685245	0.10933592	-0.28131017	0.21639362	-0.05891497	-0.99009234	-0.211312	0.21440867	0.16560236	0.39457628	0.007248648	0.43226227	0.35967198	-0.12415083	-0.3049908	0.7319273	-0.12618428	-0.43474483	0.20780468	0.53231496	0.06942845	0.4404804	-0.7149004	0.37725833	0.056877837	-0.9889061	0.40988198	0.31954622	0.47801194	0.9347095	0.42996544	0.19982988	-0.21621673	0.76200116	-0.26388684	0.9980266	0.00992553	0.7504824	-0.31964886	0.47667304	-0.6867623	-0.7812749	0.23594445	-0.4930915	-0.15172832	0.99857765	0.26333654	0.4924112	-0.06337052	0.6419315	0.9981699	-0.7481786	0.58965737	-0.027086994	-0.13251878	0.09657538	0.44793522	0.12265525	0.01692957	0.032663364	0.9993192	0.12542245	-0.37038434	-0.43667778	-0.1420354	-0.26795647	0.59658134	0.11787868	0.931511	-0.10076227	0.12015197	-0.25601527	-0.9735251	-0.23123169	-0.22465155	0.74002814	0.27317747	-0.35722706	-0.6598699	-0.60161203	0.47039285	-0.88249606	-0.29012117	0.029090265	0.05752867	-0.2733219	-0.03845791	0.12725295	0.27486387	-0.1145251	-0.060683068	-0.14956598	-0.536718	-0.19612674	0.29621664	0.040325806	0.5661884	0.6955364	0.1527161	0.3464355	-0.16569808	0.2932925	-0.3937475	0.959441	-0.9916514	0.16671678	-0.5685055	0.33661592	0.20647797	-0.18398412	0.04268952	0.6870466	-0.3142551	-0.17526105	0.0587962	0.14049186	0.7159267	0.11040193	-0.5689918	-0.1432429	-0.32315487	-0.8259881	-0.12469246	0.14598641	0.362793	-0.14067526	0.28617746	0.9751901	0.1586549	0.9999999	-0.29089275	-0.25714365	-0.36907548	-0.58306456	-0.90276504	-0.24900511	0.3746892	-0.2725987	-0.41489097	-0.5001233	-0.04617483	-0.04301041	0.31830138	0.5083695	-0.11301367	0.07340959	-0.5437317	-0.13123956	-0.45075107	0.10215984	-0.038231753	0.7199669	0.7631654	0.38454425	-0.96581084	0.5742439	-0.40965125	0.30144793	-0.4022451	-0.3672293	-0.24655685	-0.08131288	0.10446271	-0.23299408	0.49570945	0.30413118	0.02189924	0.30336258	0.16598147	-0.5538239	0.99989986	-0.16907676	-0.9932917	0.1790743	0.969558	-0.3632518	-0.17068148	-0.9957491	0.016654013	0.7332226	0.16359799	0.4483495	-0.42349407	0.37618992	0.009690343	0.817117	-0.28925368	-0.35154414	-0.23236166	-0.39899367	0.12807983	-0.45670003	-0.9996985	-0.99713856	-0.99150056	-0.40267676	0.12251343	0.25625488	0.27025536	-0.20913447	-0.73495764	0.56961596	0.46562865	-0.42246386	-0.58644664	-0.3968413	0.31379443	0.14324221	0.21511483	0.072092935	-0.3148582	-0.99215573	-0.99964184	-0.5491543	-0.05298426	-0.37005225	-0.1546472	-0.18957753	-0.9868623	-0.5628739	-0.3840278	0.22210687	-0.4033763	-0.36428562	-0.3139553	0.8677209	0.7448578	0.9705554	0.34619167	0.6831102	0.36862487	-0.7283877	-0.13238151	0.52550757	-0.42385566	0.42465457	-0.44253904	0.336851	-0.43045107	-0.059713423	-0.5232685	-0.61942226	0.28040344	0.33558345	0.23080865	0.006138083	0.2943089	-0.98957825	0.29627985	-0.35927296	0.13833627	0.32379723	0.48417974	0.9832101	-0.29767358	-0.11844235	0.5222844	0.454555	-0.47766683	0.2817745	0.96834975	-0.18027861	0.085675746	-0.47918627	0.8294166	0.48459435
174	0	CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1	0.96966547	-0.39683038	0.22836362	0.3596243	0.076622166	-0.47436208	-0.5275848	-0.108746275	0.5278549	-0.23235857	-0.28473306	-0.53556126	0.19072989	-0.55632675	-0.29708672	0.514287	0.16852258	0.086052716	-0.0000875	0.2565271	0.42656028	-0.46962887	0.01898644	0.27809548	-0.08891694	0.40845564	0.4652021	-0.3370367	0.08504044	0.4676211	0.45685998	-0.6360859	0.39117643	-0.47565085	0.69490206	-0.6461886	0.2729136	0.43877968	0.9976435	-0.35761446	-0.96774834	-0.63484085	0.44749308	0.06736954	-0.5106227	-0.6420474	-0.15071309	-0.28981584	0.9976386	0.435657	-0.022501446	0.15529548	-0.030989887	0.45527077	-0.34606937	-0.12360757	0.4943006	0.10121847	0.31558958	0.06910245	0.17288972	0.38501805	0.2670535	-0.3711416	0.41641206	0.65287083	0.14828509	0.1523707	0.3744937	-0.4124347	0.8102529	-0.8816276	0.28290558	-0.2656181	0.5981021	0.22692762	-0.63304144	0.062327836	-0.1561077	-0.99986434	0.13907586	0.2801094	-0.81511295	-0.003614728	0.040799253	-0.8351276	-0.087393336	-0.05412411	-0.41161695	0.17436638	0.21215184	-0.32285085	-0.12810276	0.17109478	0.99694127	-0.18731017	0.29953313	0.0550253	-0.17959248	0.08300667	-0.018016966	0.116938986	-0.22063577	0.9304305	-0.97384983	-0.8234307	0.39102513	-0.45115316	0.9934072	0.39277735	0.4054733	-0.45651937	-0.41645765	-0.092681445	-0.014756176	0.43878973	-0.33094794	0.24407674	0.9894871	-0.30835134	0.5290743	-0.31999907	0.18681845	0.32731518	-0.20625165	-0.35836104	0.04370608	-0.67359674	0.20164329	0.99968493	0.20007947	0.44206634	0.36393017	0.17455854	-0.036571857	-0.9587509	0.3332586	0.27916706	-0.5063807	-0.2496247	-0.99980664	0.28396797	0.78184545	0.26753318	0.018946143	0.5045609	0.1933977	-0.36309025	-0.74903023	0.35884163	-0.670884	-0.85824543	0.52799004	0.43261594	-0.48198444	0.44596964	-0.068533875	0.55376625	-0.6840605	-0.9553728	-0.8581536	0.11747746	-0.019886425	0.4275551	-0.50177544	0.18548395	-0.6983827	0.5951712	-0.13179168	0.6871693	0.28858292	-0.022583937	0.5138861	-0.49790132	0.5569355	-0.9540494	-0.43448138	0.37200862	-0.39195853	-0.27165398	0.7592915	-0.98315156	0.4688764	-0.14505959	-0.42739528	-0.43154868	0.47062612	0.1294227	0.18954536	-0.077005416	-0.6180861	-0.38930652	-0.17513072	0.37390468	0.21669939	0.044096123	0.17880732	-0.88732773	0.6595487	0.6394407	0.45914793	-0.34790143	0.49454677	0.46554682	0.2706044	-0.12456249	0.4724487	-0.21007949	-0.0902543	-0.99993974	-0.7155635	0.10763211	-0.24390474	-0.39731252	0.12455754	0.5983398	-0.10506017	0.116030835	0.34027994	-0.039748725	0.27636814	0.1607322	-0.18492626	-0.7329552	-0.98758584	-0.18881828	0.521013	-0.66405255	-0.27778724	0.264647	-0.35100478	0.61424565	0.28918117	-0.22481039	0.38745925	-0.120429456	-0.45711002	0.26029387	0.16158293	0.32292777	0.938003	-0.01589443	0.47998533	-0.34497952	0.50248283	-0.6455112	-0.59734917	0.46454617	-0.5303492	0.21378593	0.27689287	-0.9706846	-0.5120398	0.5753405	0.097567774	-0.2589847	-0.6142527	0.4753997	0.009334829	-0.19546804	-0.13813163	0.070164844	0.43133357	-0.3781131	-0.121444084	0.80209213	0.20323195	-0.21113081	0.86276996	-0.18282136	0.16209373	0.4698898	-0.20982172	-0.66746235	0.3142718	-0.5290138	0.43622693	-0.13820992	-0.34199667	0.8130273	-0.18544918	0.9976899	0.006382297	-0.37162966	-0.20532921	0.59034175	0.0538477	0.72386575	0.6521703	-0.63053554	0.3509187	0.9658223	-0.5355555	0.40871757	-0.26639107	0.34264758	0.99995756	-0.9773649	-0.02753552	0.03226864	-0.09073147	0.6035798	-0.39428863	0.36073866	-0.41567785	-0.7812698	-0.8551771	-0.16659394	0.78183025	0.5346427	-0.13927028	-0.257813	0.2038126	-0.17170939	-0.23348945	-0.0566952	-0.37139624	-0.61055857	-0.9999737	-0.6848613	-0.646057	0.577333	0.2976788	-0.8077299	0.03353402	-0.21879861	0.4092199	-0.8952587	0.34550032	-0.07473304	-0.11382797	0.716472	-0.13016415	-0.22936445	0.30096245	0.36491355	0.6471052	0.25632727	0.16543706	-0.3549498	0.079902135	0.6020432	0.11509958	0.8842352	0.31501585	-0.32911974	0.17537963	0.41960415	-0.6530485	-0.6596438	-0.96228606	0.7317508	0.19198462	-0.23627853	0.48446298	-0.53878975	0.40570173	0.9996064	0.57042927	0.22759905	0.17599055	0.3512864	0.41183552	-0.3909697	-0.8105605	0.4706667	-0.73129654	-0.73669064	-0.054223865	0.329416	-0.5217026	-0.16150919	-0.27069506	0.58005273	0.3803394	0.9964753	0.23771062	0.54765415	0.24969308	-0.5046838	-0.42119253	-0.22793907	-0.2554993	-0.40542078	0.46382856	-0.43284637	0.10246377	0.55138606	0.38042146	0.46139506	0.5627478	0.14365748	-0.32706845	-0.48696584	0.07649192	-0.67718613	-0.32062447	-0.21209691	-0.5213846	0.17985727	0.46372923	0.497771	0.09185878	0.23821518	-0.3727646	-0.7421991	0.2058368	0.2172794	0.5456629	-0.35842085	-0.69727194	-0.110623874	-0.3747567	0.058885258	-0.056445803	-0.12289567	1	-0.5644558	-0.9233644	-0.15737724	0.99897337	-0.7248958	0.27907085	-0.9999406	-0.297812	-0.93506175	0.05626956	-0.29190072	0.49342373	0.4717676	0.62359947	-0.15135032	0.28515348	0.535166	-0.3600778	-0.024661867	0.2249525	-0.77143663	-0.99990535	0.9888419	-0.5398143	0.42333367	0.34684372	-0.08916219	0.019196425	-0.32935694	0.11778413	-0.50848025	-0.50922585	0.30002165	-0.76616204	-0.4664562	-0.12019542	-0.44175205	0.41721693	0.1075335	-0.40685308	0.12697157	-0.99969876	-0.1730826	-0.6413252	-0.11531735	-0.11278825	-0.24287444	-0.8289025	0.5243159	0.43108281	0.0724309	-0.2909452	0.42007676	-0.13175678	0.967509	0.5780689	0.037418127	0.41491035	0.009477861	0.12053047	0.021381127	0.21493231	0.14321768	-0.07205878	-0.17810537	-0.9538714	0.6023247	-0.1527923	-0.4734349	-0.16131881	0.072527	0.10377643	0.49077728	-0.22617598	0.10563759	0.23676074	0.9945014	-0.083435975	-0.6491087	0.014675668	0.31611148	-0.16107559	0.9998403	0.4758573	-0.52472365	0.1708665	0.0639054	0.21224225	-0.16195258	-0.9887122	-0.522875	0.37128755	-0.6210929	0.17083225	0.12673143
175	1	O=c1[nH]c2ccc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1	-0.00401598	0.2831636	0.24692576	0.35965636	0.30081624	-0.12377609	-0.21606313	-0.16767338	-0.101339564	0.51091933	-0.57163256	0.29364353	-0.28100953	0.20001934	0.08043903	0.099980876	-0.23704223	-0.23144244	0.38632286	-0.44315892	-0.2382872	-0.18686953	0.26362506	0.042476527	0.1666427	0.22344059	0.36774826	0.6835073	0.11887931	-0.69992864	-0.5723592	-0.42198583	0.38600215	-0.36857325	-0.273809	0.40092552	-0.6237634	0.5442694	0.99932796	-0.3894703	-0.3856304	0.78166246	0.03833959	-0.12313266	-0.019371586	0.35044745	0.81647146	0.4610957	-0.02359723	-0.10892002	0.1877749	-0.16706999	0.57248765	0.14441575	0.30992398	-0.8043033	0.40404043	-0.74594086	-0.28108272	0.38442463	0.30833164	-0.5110918	0.7560771	0.8800415	-0.034183435	-0.45117217	0.150744	0.4933607	-0.41748703	0.6471073	-0.99538857	-0.9371335	-0.3729742	-0.24414226	0.56116265	0.3268173	-0.1093818	-0.094756626	0.8667281	-0.99944574	-0.22656664	-0.5264086	-0.92931706	-0.43355936	0.2571733	-0.9052711	0.24213347	-0.4576881	-0.3324424	-0.391174	0.71599114	-0.34088346	-0.12373881	-0.89247453	0.99839306	0.52282465	0.33332598	0.83324564	-0.5590439	0.5564575	-0.8190087	-0.13839933	-0.23630509	0.9983918	-0.99782	-0.60206383	0.25581157	0.029781329	-0.9959844	-0.6932032	-0.7596489	0.52354807	-0.015319957	0.1908908	0.4663222	-0.043319583	0.19212784	-0.116978675	0.8591937	0.7545841	-0.18336032	0.000680566	-0.061668083	-0.19721656	-0.24954158	0.13231993	-0.12309036	-0.24321061	0.396914	0.99963003	-0.15551056	-0.39975712	0.7475513	0.11182771	0.8066635	-0.98346156	-0.4653695	0.27345142	-0.029164333	-0.83802	-0.9999992	0.17786969	0.40196759	-0.24350236	0.50864273	-0.19653733	-0.6829822	-0.020998718	-0.98985463	-0.03750536	0.036331534	0.15974356	0.4907762	0.29210028	0.60393393	0.21866164	0.12128774	-0.8436591	0.29143935	-0.4110332	-0.18963076	-0.15441759	0.47502932	-0.29218268	-0.6326421	0.49240518	-0.7646953	-0.51796156	0.15624137	0.19106114	0.12584715	0.27539796	0.6045329	-0.48822784	0.16748618	-0.68780375	0.78712094	0.4281056	0.44568643	-0.62763417	0.19418603	-0.8995646	0.37169597	-0.13244365	0.20333478	-0.65815777	0.55234146	0.10265954	0.26775935	0.7531749	-0.390202	-0.55226827	0.050265174	0.28256953	-0.4693275	-0.118588164	0.005765586	-0.8702499	0.5057024	0.10542518	0.3424955	-0.6118758	-0.25859818	0.82423127	0.6366867	-0.2664672	-0.4674318	-0.72827566	-0.82558984	-0.99975383	-0.29388914	0.11221623	-0.009518254	-0.01628248	0.22164822	0.31647095	0.65007836	0.19570282	-0.08819236	-0.26756847	-0.64207643	-0.41385114	-0.47071293	0.60853386	-0.9184602	-0.82753277	-0.66687846	0.36717364	-0.35883206	-0.43890417	-0.03180388	-0.15252568	-0.33833513	0.25324935	-0.106653266	0.2019557	0.1979142	0.061427422	-0.10260146	0.36294818	-0.92209494	0.45142868	0.85217637	0.2828477	0.026320875	0.5899186	0.23116852	-0.07328605	0.32248607	-0.33151317	0.13985772	0.085485496	-0.6512942	0.5620567	0.8116653	0.66500807	-0.45502335	0.012581917	-0.09379576	-0.26774842	0.64099216	0.49486414	0.62551516	-0.25352308	0.63146293	-0.15369563	-0.0950535	0.22598481	0.8599392	-0.011291046	-0.5078714	0.99690205	0.6254184	-0.039277047	-0.5947661	0.8289434	0.47343156	-0.18776597	-0.56650376	0.33876455	-0.11770836	0.9880438	-0.3637146	0.02197748	-0.22273156	-0.5301585	0.54465914	0.76489943	-0.17329402	0.09660662	-0.37635082	0.25704238	0.22228874	-0.90273446	-0.20732507	0.78544897	0.99999976	-0.9762945	0.30795476	-0.26192287	-0.5478119	0.10266693	-0.2385659	0.42306638	0.6835896	-0.682133	-0.9977951	-0.017376702	0.95514643	-0.1343143	-0.33396015	0.414747	0.44982114	-0.21795201	0.03684751	0.22557288	0.25022355	0.20841852	-0.9240328	-0.64353675	-0.05116581	-0.2964232	0.32434168	-0.071483724	-0.16247882	0.46302828	0.044798218	-0.7856067	-0.4830019	-0.28335616	0.09903499	0.055520162	-0.6104014	0.12884447	-0.24202706	0.31439197	-0.07794154	0.14934507	-0.6411385	-0.16253044	-0.26015508	0.22945796	0.033461016	0.34057423	0.2871514	0.09738155	0.6494592	0.35845563	-0.31656742	-0.9399086	-0.7946673	-0.19358538	-0.24580774	-0.5173359	0.16517808	0.19977959	-0.43684727	0.99821097	-0.7283565	-0.35442638	0.18047974	0.21405086	0.7192535	0.48990923	-0.786804	-0.45990267	-0.57061267	-0.36484125	0.70556134	0.72461724	-0.12647839	0.6915423	-0.7581845	-0.2894139	-0.30408645	-0.99999976	0.7737829	0.23380929	0.8025215	0.01568387	0.56232053	-0.3535071	0.5731867	-0.20011237	0.25937867	0.38196242	0.12607273	-0.48694682	-0.000531219	-0.7077384	0.036198094	-0.59214133	-0.7856971	-0.36081308	0.7808512	0.60175246	0.5570502	-0.10085144	-0.88830143	-0.17190695	0.80860686	0.3902716	0.47460267	-0.49183348	0.049038302	-0.2773271	-0.22814398	-0.652731	-0.017067628	0.18767378	0.5892756	-0.49423563	0.20757659	-0.3599101	-0.29475337	-0.40502146	0.999872	0.8113286	-0.9670583	0.047025345	0.99924475	-0.32838348	-0.2667146	-0.99928445	-0.23989305	-0.899596	-0.79755634	-0.31282207	-0.26302817	0.061818827	-0.17221445	0.017487744	0.40027788	0.3156982	0.62541926	0.2386006	-0.5560491	-0.000135453	-0.9999659	1	0.8319827	-0.3486348	-0.7734348	-0.22897856	-0.33776408	-0.54756445	0.5937805	0.07837238	-0.18473163	-0.49717775	-0.70288134	-0.18780711	0.00025312	0.64305663	0.5773548	0.40052783	0.76834035	0.9412021	-0.99911636	-0.22648323	-0.5224994	0.57086426	-0.046768893	0.3414418	-0.7259456	0.23717564	0.26087067	-0.25940567	-0.35369176	-0.48113662	-0.51811886	0.95275646	0.023541281	0.89193773	-0.22110301	0.36887679	-0.09717194	-0.07039686	-0.66853714	0.2823593	0.22492261	-0.5252876	-0.033478666	0.15358391	-0.25052947	-0.21827017	0.0951123	-0.16366525	0.5083739	-0.14658777	-0.37379616	0.25089753	0.637723	0.9992056	0.30336633	-0.5924317	0.14666347	0.4498866	0.01750244	0.9999386	-0.4210539	0.06983148	0.328606	-0.58528906	0.058361653	0.4097229	-0.99734485	-0.2564061	0.4228747	-0.18655154	0.27242172	-0.2676234
176	0	COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C	0.26712975	-0.2778525	-0.3988874	0.36502305	-0.34472185	-0.36706796	0.16204788	0.7901776	-0.10282408	0.36522493	-0.54531693	-0.11964625	0.28486404	0.11304798	-0.036426663	-0.30670428	-0.29444247	-0.109770134	-0.1481996	0.3282046	0.22612734	-0.4034492	0.7301294	0.56029975	0.7596602	0.078143865	0.3309098	0.20853205	0.282656	0.07118511	0.14604972	-0.2226266	-0.5725106	-0.3783545	-0.6470224	-0.13042447	0.7047444	0.09556977	0.9967973	-0.79198754	-0.88707864	0.15838107	-0.13132149	-0.0344782	0.055770643	-0.75986266	-0.18188773	-0.15962759	0.78506196	0.42694658	0.010411183	-0.117586344	-0.12384608	0.11797947	-0.3076965	0.58524925	-0.39499277	0.038365785	0.29926753	-0.05415294	-0.6028457	0.5676071	0.29179674	-0.6582571	-0.21821691	0.41611904	-0.034280945	-0.026053475	-0.19326001	0.6540196	-0.8170553	-0.9387643	0.11200376	-0.5497905	0.61177516	-0.5171055	0.009063335	-0.1877229	0.30680883	-0.998896	-0.47594464	-0.25459033	-0.9212358	0.11639766	0.087600924	-0.8458923	-0.45361057	0.33517003	-0.6169715	0.40386012	0.10070219	-0.54201996	-0.13950653	0.7762397	0.9984738	-0.3233528	0.29562077	0.14967188	0.19106781	-0.3705752	0.38587457	0.05461503	-0.32643107	0.86221194	-0.96954685	-0.6291505	0.40042502	0.37665018	-0.9994416	0.10478891	-0.11660591	-0.42755616	0.091187045	-0.08337881	0.18177326	0.38379163	-0.05621384	0.17855403	0.99397516	0.09678854	0.57676387	0.001309747	0.44735527	-0.04750994	-0.32563296	0.27536732	0.23813626	-0.066647656	-0.30881166	0.9997261	-0.23662978	0.05557954	-0.40160713	-0.10655903	-0.68480915	-0.98293483	0.06942285	0.66270214	-0.55136657	0.21893692	-0.99975085	-0.23548403	0.87363803	0.24789834	0.4504381	-0.31919375	0.10048499	0.33848977	-0.6219364	-0.14702834	0.58812517	0.758593	0.31018534	0.32291085	0.03138476	-0.28183448	-0.61251473	0.6500611	-0.73285604	0.89695466	-0.856235	0.020772662	0.09554736	0.6818218	0.1520335	-0.24529204	0.32074407	0.34370977	0.15305242	-0.021726778	0.29245526	-0.5786133	0.30740246	0.25123373	0.21372797	-0.86560696	-0.4233599	0.1573361	-0.5449109	0.08716321	0.41490233	-0.8467051	-0.12882288	0.15678972	-0.11192473	-0.827326	0.64765096	-0.494742	0.0822574	-0.33182505	-0.055549636	0.41089642	0.40680823	0.48889488	-0.28167954	0.17266196	0.11301394	-0.8253708	0.34910774	-0.15349676	0.34053525	-0.6117257	-0.35354656	0.4303646	0.29753494	0.25124708	-0.07949603	-0.33238158	0.46424362	-0.99986786	-0.5440349	0.4011441	0.13689727	0.03708676	0.20669034	0.1316113	-0.45318782	-0.038930047	-0.35771433	0.7236728	0.21667868	0.1538489	-0.7876596	-0.70137805	-0.9288799	-0.15602122	-0.08827801	-0.41025245	-0.22432491	0.69039774	-0.63279897	0.08221526	0.48946935	-0.73668045	-0.43188536	-0.68248445	-0.81229013	-0.05755332	-0.4051664	-0.13436288	0.89819026	0.08316652	0.038051605	-0.09707496	0.15822746	-0.2981856	0.21743196	0.34416237	-0.39822903	0.02568922	-0.46094888	-0.9780039	-0.50396043	0.63736004	0.06613054	-0.027273733	0.53520703	0.46127918	0.33628392	-0.698737	-0.6774503	0.589923	0.113303885	-0.5145834	-0.15812033	-0.07045539	0.51716685	-0.2485359	-0.6324734	-0.027652072	0.18590115	0.98301476	-0.19658813	0.34541443	0.77721745	-0.7891573	0.40843767	0.9196114	-0.33754122	0.16564727	0.69208896	0.99767494	0.35140198	-0.26785922	0.120677724	-0.22837952	-0.69269454	-0.2964367	-0.9765365	0.076045826	0.40705985	0.96770906	0.306621	0.58785605	0.41719446	0.3828412	0.9999105	-0.9864479	0.47297296	-0.32577258	-0.60296303	-0.07575597	-0.2744709	-0.2659151	0.02359167	-0.1457654	-0.7086627	0.15064842	0.485922	0.27025154	0.13875292	-0.23886947	0.000917101	0.48211324	0.42883644	0.030171677	0.21396594	0.18473409	0.9282027	0.5807403	0.1518665	0.48034573	0.013369462	-0.5570337	-0.10854672	-0.06572807	0.18685897	-0.9562151	0.008886589	0.005878525	-0.07915037	0.40436116	0.41936627	-0.4531068	0.015315047	0.40370566	-0.22630554	-0.41574252	-0.3324074	0.6938555	0.16878153	0.16193202	-0.8056614	0.07458312	0.7378587	0.48256493	0.071643986	0.38784048	0.04318212	-0.6578996	-0.96415895	0.6076166	-0.8404952	-0.12787215	0.08491578	0.016044447	0.22587895	0.99978817	0.21643607	-0.25173786	0.087815344	-0.7628381	0.55534464	-0.0940863	-0.8316406	-0.39782834	-0.13612212	-0.5224477	-0.6104495	0.06282671	0.0531853	-0.24448639	0.17590743	0.08697531	0.020531153	0.9971417	0.005295011	-0.3926064	-0.05790557	-0.54331696	-0.30775285	-0.20561217	0.38559365	-0.037628554	-0.23494583	0.053923313	0.5041586	0.23826443	-0.090860166	0.56349623	-0.14117274	0.10111524	-0.22593778	0.19401042	-0.09463871	-0.5771038	-0.2346711	-0.22703958	-0.45784113	-0.24296878	0.19918387	0.36394468	0.64491886	0.3802451	0.05872562	-0.5391255	0.2749858	-0.6941667	-0.13310397	0.0061054	-0.29216716	-0.34201303	0.3387038	-0.08926463	0.29689708	0.117472865	0.96221113	-0.12135489	-0.95915955	0.38116014	0.99922115	-0.14048968	0.37996763	-0.97630346	0.0323467	-0.8122327	-0.17540321	0.49055636	-0.2438485	0.13993323	-0.3360766	-0.31693444	0.19722186	-0.012835327	0.37367928	-0.3034475	0.6818531	-0.60116863	-0.99992466	0.9945545	-0.76511586	-0.59818655	-0.11531146	-0.6158844	-0.17286767	-0.15944877	-0.40605733	-0.19192618	0.11846915	0.117175244	-0.72661203	-0.46732113	-0.011569323	-0.6357345	0.45088515	-0.5831752	-0.23966901	0.10589693	-0.9998348	0.08547631	-0.32020152	0.2153513	-0.2802523	-0.67623407	-0.9234926	0.2900917	0.270811	-0.5377612	-0.5267624	-0.45174393	-0.77308947	0.96113646	-0.51779824	0.56609136	0.052318003	0.46306524	0.6694448	-0.7794944	0.74665624	-0.17505644	-0.09631359	0.17175013	-0.53780276	-0.44925815	0.39085838	0.5658353	-0.3942549	-0.3977259	-0.4777237	0.71940583	-0.05967591	0.42490116	0.60937184	0.9850499	-0.30378953	-0.55294055	-0.10437085	0.22618409	-0.082693025	0.9998628	0.7595518	-0.5162275	0.16907436	-0.2775197	-0.5526093	-0.6131643	-0.9932716	0.412414	0.5941201	-0.5874206	-0.18428814	-0.2552356
177	1	CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1	0.15460141	-0.4139713	0.5152444	-0.5852544	-0.15378536	-0.45197305	-0.16015299	-0.3523342	-0.655336	0.064669654	-0.68433225	-0.2588851	-0.019222472	-0.3983075	0.45342204	0.7655601	-0.49958184	-0.16148129	-0.2915922	0.21015757	-0.2126649	-0.48913392	0.50349605	-0.37203667	0.2788711	0.53362864	-0.22552665	0.07563055	-0.024125738	-0.046941306	-0.2773054	-0.36766827	-0.1715718	0.15260577	-0.43606982	0.7224617	-0.8528515	0.8219923	0.9937029	-0.64268047	-0.9896936	-0.040084917	0.107640795	-0.6685693	0.37142888	-0.8930082	-0.5228458	-0.505923	0.99038327	-0.28072685	-0.012919346	-0.61397153	-0.19189145	-0.3275942	-0.7215911	-0.56582326	-0.4669922	0.06676999	-0.47739154	-0.093562245	0.07019047	-0.5641908	0.002530201	-0.28670305	0.7883946	0.06239644	-0.005600584	0.1977698	-0.27251944	0.85717493	0.74188787	-0.9778248	0.7988011	-0.48592952	0.7478876	-0.22280064	-0.488944	-0.38637832	0.1294706	-0.9979607	0.080605485	-0.15105318	-0.82825106	-0.62234277	-0.43680087	-0.65917134	0.20408173	-0.61317325	0.53912604	0.3108379	0.27758738	-0.51188916	0.34383366	-0.34141314	0.97164595	-0.27490082	0.52461463	-0.14063749	0.43049848	-0.21314192	-0.4533164	0.44008097	-0.3048222	0.8905612	-0.91607565	0.06559362	-0.094648905	0.53571254	0.991399	-0.23885919	0.41259953	0.012269367	-0.44533417	-0.5085891	-0.13073443	0.39821792	0.41680288	-0.32631204	0.9970867	0.47958294	0.057226956	-0.3201626	0.16110317	0.030819139	-0.15127929	-0.22330587	0.42587915	-0.14101516	0.015913777	0.99934363	-0.3404645	0.48744076	0.416744	-0.031558815	-0.5142001	-0.89317733	0.20308506	0.2268362	-0.63465923	-0.52686155	-0.9997778	0.63707286	0.9481817	0.4269322	0.14534742	0.40819457	-0.3488013	-0.14370477	0.02697315	-0.6976785	-0.13824108	-0.89894253	-0.007425312	-0.051604673	-0.41180533	0.4615536	0.13357238	0.8911585	-0.6572984	-0.978912	-0.9484133	0.6869679	0.40891337	-0.036077984	0.39241266	-0.30563247	-0.048379496	0.6703136	0.105279125	0.06502948	-0.40754342	0.026236052	0.40944684	-0.46741745	-0.32448485	-0.9494025	-0.43228513	-0.36582804	-0.3577821	-0.45600334	-0.5190308	-0.28120616	-0.51694804	0.315126	-0.24391761	-0.6642001	0.4110211	0.18426774	0.6257581	-0.18678479	0.301539	-0.03056508	-0.22522934	0.002785268	0.41337672	0.14008208	-0.07761808	-0.9179812	0.4246009	-0.52094734	-0.48817432	-0.8293945	-0.7066889	0.32124376	0.19889809	0.17847489	-0.110875405	-0.4055235	-0.07523905	-0.99955505	-0.18437225	-0.19348362	-0.2093785	0.54448783	0.4183154	0.31859863	0.10023126	0.0322963	0.4503732	0.7048132	-0.012118725	-0.73568624	-0.828692	-0.20876224	-0.98788434	-0.028234743	-0.13511074	0.3625712	-0.4217462	0.16387351	0.33950606	0.17850345	0.08247573	0.045954008	-0.23675293	-0.2943394	-0.5680412	-0.12190383	0.4674477	0.49954712	0.8679842	-0.029362008	0.39199948	-0.6451883	0.5133002	-0.101056665	0.029105175	-0.33885807	0.071683206	-0.45382166	-0.47890326	-0.9715464	-0.48561886	0.4986199	0.5035973	0.2620035	-0.63965636	0.38793018	0.7076901	-0.644901	-0.006387731	0.24662438	-0.4652155	-0.47750685	0.351876	-0.10723481	0.5843386	-0.21075909	0.9149877	0.7411787	0.025913376	0.7683221	-0.08294474	-0.33816552	-0.30544606	-0.8508252	0.67524236	-0.2524835	-0.67281026	0.05400962	-0.26734298	0.9994307	0.22035901	-0.4532786	0.43479192	0.09471526	-0.38013914	0.8032176	0.9248032	-0.045308884	0.6065178	0.9904006	0.1903658	0.62311524	0.81892186	-0.12817982	0.9999146	-0.9727549	0.56760955	-0.04035996	-0.6232143	-0.19098057	-0.5074809	-0.2568099	-0.11210155	-0.8569715	-0.3749136	-0.19816256	0.8643996	0.18207721	-0.5597516	-0.021210494	-0.099158734	-0.6456346	0.705553	-0.34295034	0.12419906	-0.23759699	-0.99998516	-0.51312613	-0.28205118	-0.51651484	0.043074887	0.4436557	-0.07348024	-0.23643517	0.06184951	-0.76309633	-0.07856412	-0.02032878	-0.015544086	-0.07259562	0.5535711	0.24873415	0.2643602	0.03935549	-0.26974156	-0.13246144	-0.27750963	0.41770795	-0.1621866	0.6760336	-0.31722632	0.13861497	-0.22518705	-0.4019923	-0.042365942	-0.17863514	-0.5349901	-0.20733443	-0.98449314	0.17780344	-0.32274708	-0.12167206	0.11695175	-0.29845762	0.14948255	0.99960494	0.2608563	-0.5110563	0.45332158	0.57775104	-0.54781276	0.03314299	-0.6879439	-0.25431284	-0.36660737	-0.36024204	-0.44271082	0.2587849	-0.047490798	-0.02820476	0.18985751	0.55953157	0.3360052	0.9975431	0.07815306	-0.36070013	0.23184088	-0.49800164	-0.40870535	0.19112904	-0.41006774	-0.39208776	-0.22158791	0.28143612	0.33125407	-0.6977562	0.14427787	0.29706952	0.5152267	-0.18690245	0.4661853	-0.17084977	0.6297664	-0.23021348	-0.26218444	-0.09656807	0.4468027	-0.39652145	-0.5189303	-0.22160847	0.17564835	0.41537833	0.29557768	-0.7659884	-0.6997795	-0.57313406	-0.39666092	0.25637016	0.64119	-0.010107507	-0.56071013	0.4002503	-0.6454933	0.43988943	1	0.22882617	-0.97775656	0.55637145	0.999813	-0.001182108	0.12683159	-0.9999638	0.74770224	-0.42439163	0.58217984	-0.4298783	-0.26318514	0.024454454	-0.28697145	0.38488683	-0.4864459	0.45113733	-0.11210728	-0.047413252	-0.002780329	0.24214554	-0.99998915	0.99357045	-0.7980617	0.35408044	-0.5957462	-0.15018041	0.25900823	-0.6794509	-0.8218648	0.6352584	-0.2513776	0.3788501	-0.86150134	0.17968489	0.13566509	-0.43747893	0.4250927	0.30291116	-0.12891397	-0.25575542	-0.9999605	0.5836616	0.18003097	-0.13042878	0.33980832	-0.21449089	-0.980412	0.27869502	0.056107163	-0.17883575	-0.66527784	0.10330184	-0.5470422	0.9694663	0.026970576	0.48817414	0.6501507	0.1770818	-0.32059786	-0.09520206	-0.2970933	0.47569597	0.41801557	-0.21338217	0.08419293	0.2681171	0.49389517	-0.49341667	0.09394189	0.2603359	0.44371992	0.6117584	0.3015982	-0.5096554	0.118197255	0.94843936	0.1881307	-0.5078642	0.22152162	-0.58770996	0.72055984	0.99977535	0.5717801	-0.011638595	-0.22543944	-0.31964195	-0.3026608	-0.03270301	-0.97041464	-0.040135454	0.062480457	0.3569098	0.4231878	-0.17480783
178	1	CN(C)C(=S)SSC(=S)N(C)C	0.70533186	0.2763059	-0.057608217	0.060748428	0.14900203	-0.15694098	-0.28943408	-0.62979275	-0.8535273	0.41399324	-0.5192963	-0.81762207	0.2974754	-0.032867566	0.21035704	0.17501368	-0.7981269	0.138569	0.32891515	0.55228555	-0.21747014	-0.6143611	-0.34528264	-0.6628437	0.6124891	0.41341618	-0.33279303	-0.030391725	-0.6293994	0.56376	-0.054410074	-0.08548617	-0.063778296	-0.66106784	0.3255958	0.7275065	-0.45357868	0.26502332	0.73191607	-0.749599	-0.97780144	-0.75669026	0.72459364	0.42523333	-0.1325668	-0.9861035	0.33606452	-0.61406165	0.9986528	-0.5423561	-0.35006166	-0.5341335	-0.85340255	-0.199978	-0.26409328	0.095655166	-0.3416384	0.8405315	-0.6047237	0.07552036	0.5000593	-0.4914071	0.098609105	-0.48365366	0.45677117	0.5093043	-0.07987316	-0.61104894	0.69258404	0.4135453	0.804729	-0.99345577	-0.33715746	0.7151584	0.17863382	-0.9010571	0.2754902	-0.6945666	0.7191363	-0.99987817	0.06670887	-0.53191185	-0.2857567	-0.0675765	-0.35101837	0.7477447	-0.21480519	-0.6052139	0.60341823	0.5499744	0.32898262	0.6440461	0.5385917	-0.5533364	0.99078447	0.14307377	-0.8893357	0.35612074	0.28305578	-0.41039595	-0.41285765	0.46923772	0.30928305	-0.09565592	0.5637543	-0.41481373	-0.03074832	0.2139969	0.9934474	-0.19207545	0.2874266	-0.30812326	-0.69487417	-0.84799	-0.30963674	-0.36028367	0.5312337	0.035694502	0.999473	-0.32699606	-0.23583119	-0.35507876	0.44619104	0.17900832	-0.6771334	-0.4361531	0.22918391	0.27177987	-0.16377403	0.97881055	-0.1613406	-0.44059867	0.32013845	-0.4893507	0.26303256	-0.85332054	-0.44851857	-0.1393967	-0.17731239	-0.5864616	0.99963135	0.6326428	0.96284616	-0.11507679	-0.17414214	0.18790244	0.11178175	-0.64232147	0.9124735	-0.5271481	-0.07492291	-0.83999556	-0.48894635	-0.009828444	-0.32809833	-0.15456608	0.46047238	0.99826366	-0.6247432	-0.97701085	-0.96283865	0.032051466	0.18815294	0.037703928	0.6324078	-0.791667	0.22564124	0.5970803	0.3123219	0.26830956	-0.34002617	-0.87296647	0.2345827	0.7462403	-0.5586761	-0.6056852	-0.7492539	0.06944112	-0.5497133	-0.258919	-0.25808975	-0.42457905	0.48198518	0.30176124	-0.52721334	-0.5210366	-0.058898218	0.613101	-0.5218237	-0.41592264	0.4831997	-0.40375185	-0.13966319	0.8430714	0.005262848	-0.5167657	0.22879134	-0.8733185	-0.28170776	-0.42275348	-0.48296186	-0.3466784	-0.26024064	-0.58427274	-0.6032233	0.27863172	0.23371097	-0.21722436	0.5014072	-0.99530846	0.33211166	-0.46920082	-0.8371377	0.7000429	0.8035221	0.5350244	-0.20730954	0.11662913	0.083064325	0.6794915	-0.48959818	-0.70298815	-0.45390564	-0.27002278	-0.98762304	0.32815793	-0.20919372	-0.3636171	-0.09353731	0.38244015	-0.5365626	0.15763263	-0.63595873	0.3571057	0.40180978	-0.06384197	-0.42810535	0.26811752	0.42673677	0.5197748	0.668471	-0.42418125	-0.16678397	0.18975334	-0.6684963	-0.6425178	0.8398796	-0.2088145	-0.28467062	-0.5195246	0.83874947	-0.9998616	-0.5627667	0.05802427	-0.033104695	0.040907662	-0.16807099	0.54732007	-0.3719085	-0.6286236	-0.19918136	-0.12567805	-0.16756158	0.17738292	-0.83201194	0.24323012	-0.31686145	-0.26393324	0.6475097	0.29463226	0.74447495	0.99045956	-0.15437008	0.8291208	0.43049607	-0.8487784	0.7231843	-0.7342912	-0.43186364	0.10482415	-0.1653035	0.99922556	-0.105466045	-0.5599429	-0.65233463	-0.74324346	-0.6528661	0.74789417	0.9180075	-0.73718786	0.5458214	0.9996021	-0.002620221	0.65142715	0.69375294	-0.21571073	-0.99893916	-0.50746363	0.49381688	0.15720217	-0.6042145	0.37745756	0.28914526	0.074303254	-0.40893093	0.37892577	0.9919326	0.6322368	0.24708167	0.21499118	0.45233133	-0.097240895	-0.90116554	0.11640682	0.82075435	-0.055436127	0.5768648	0.07067048	-0.9999575	0.045318555	-0.38862884	-0.15132289	-0.1094963	0.587904	0.4744919	-0.6421455	-0.7926434	-0.23907305	-0.22611663	0.1956971	0.20348002	0.20898765	0.81157786	0.79392767	0.46333534	-0.60121584	-0.5161342	-0.6615448	-0.40030593	-0.3825893	-0.288745	0.24216047	-0.73266673	0.2873539	-0.11409583	0.2091999	-0.15704633	0.06534796	0.3633286	0.86858904	-0.9880037	-0.2959107	0.45259506	0.44378826	0.40432954	-0.56909364	0.31402192	0.9997389	-0.5424635	0.11790242	-0.14433505	0.37201384	0.21491215	-0.6158345	0.3377006	-0.40692675	-0.11570784	0.56972003	-0.37630722	0.79613245	-0.523341	0.08026349	-0.6440415	0.65346396	-0.18224737	1	-0.1300258	0.035467226	0.042665236	-0.83122206	-0.8522102	0.4128993	0.5401474	0.6480428	0.14576647	0.38758737	-0.36429206	0.31392205	0.27321103	0.27054843	-0.33837843	0.17680185	0.18790154	0.06275885	-0.49236786	-0.90892226	0.36813197	0.03356717	-0.47814843	-0.5772697	-0.16488881	-0.5302451	0.15260231	0.6416705	0.4987667	0.21248496	-0.6831918	0.25972348	0.007472608	-0.26981512	0.67494345	0.38948756	0.006474044	0.020092566	-0.7572763	0.7382041	0.9999998	-0.35713375	-0.7405899	0.5298878	0.9988567	-0.32873455	0.4369368	-0.99993676	0.13837083	-0.68222666	0.1124243	-0.78734136	-0.6878063	-0.18781357	-0.32832804	0.84552747	-0.27558622	0.105545945	-0.77554643	-0.35954696	0.28178382	0.42830995	-0.99996215	-1	-0.99548095	0.25657722	-0.008571622	-0.40809146	-0.1961186	0.1429506	-0.59889483	0.88024455	0.7354545	0.15187185	0.2241721	0.2913229	0.4251373	-0.52023256	-0.52248085	-0.08595126	-0.61011904	-0.9795929	-0.99987435	0.31015667	0.77218324	0.2573735	0.56129193	-0.10798431	-0.8815492	-0.040154554	0.5594014	0.433412	0.39574984	-0.3258098	0.25033298	-0.8867963	-0.830518	0.15226881	0.50646603	-0.7821534	0.24154364	0.22287226	-0.10080501	0.21143034	-0.21455282	0.5225786	-0.99897826	0.10821577	0.8237355	-0.07383006	-0.25610408	0.2689193	0.74236923	0.49219006	0.7258488	0.66650957	0.05672642	-0.52132607	-0.43276942	0.35453084	0.44479677	-0.7277706	0.80303144	0.9999573	0.29599053	0.3983662	0.2245286	-0.07548097	-0.6722893	0.69980943	-0.7388736	0.43764675	0.31871504	-0.18421257	-0.14248648	0.118984416
179	1	O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(O)cc1	0.75991493	0.44208118	-0.13157776	-0.065361455	0.27800402	-0.09924211	0.30473804	0.08195712	0.08183847	-0.77673525	-0.623806	-0.56925833	0.019729083	-0.7686595	0.16591375	0.597935	0.1768925	0.24001102	0.31131175	0.17179507	0.46371746	-0.8013592	-0.122542836	0.256208	-0.5956428	0.095098525	0.52683616	0.2901095	0.57960266	-0.408791	-0.5004402	-0.68576175	0.64928025	-0.0447473	0.6673287	0.2228619	-0.38775754	0.000645004	0.9984652	-0.530469	-0.028864477	0.66288304	-0.5529604	-0.27772117	0.5035614	-0.24710354	0.850842	-0.3633274	0.99316144	-0.21035676	0.14983346	-0.5121475	-0.5489132	-0.5814306	-0.57561284	-0.25394177	0.15797009	0.000687957	0.31548285	0.25328892	-0.65317494	-0.11308318	-0.15682726	-0.6831518	-0.18528366	-0.057761624	-0.28989732	0.014074107	-0.5138101	0.33754015	-0.043213416	-0.912264	-0.10860541	0.24771595	0.6419846	0.34980264	0.39157453	-0.19997348	-0.63126564	-0.9994943	-0.9270676	-0.5847372	-0.5908883	-0.5043649	-0.09774951	-0.74081516	-0.64764345	-0.87604725	-0.13729884	0.062270183	0.49769586	0.7455295	-0.06408183	-0.2640813	0.99579424	0.65193963	0.26572084	-0.16861951	0.20881975	0.16597027	-0.22174108	0.615985	0.18552968	0.99084795	-0.99278957	-0.555893	-0.049431544	0.31881675	-0.99936897	0.11906835	-0.76360744	-0.5779661	-0.35874572	-0.19006582	0.231901	0.74022865	0.30257475	0.29111254	0.9838089	0.29488	-0.430212	-0.5578485	-0.1876833	0.18792112	-0.76146984	-0.76625305	-0.054005545	0.61250424	-0.05602999	0.9993243	0.3038178	0.3419283	0.20683278	-0.39393577	-0.5833834	0.14871143	0.10476794	0.1253344	-0.7293792	-0.63110423	-0.9999427	0.26448706	0.63363427	0.050579507	0.22922412	-0.18550676	0.39801213	-0.20376608	-0.96213394	0.46803486	-0.004862117	-0.92959774	0.579904	0.25831792	0.20247744	0.16996177	0.40560952	-0.001941932	-0.53876156	-0.52773505	-0.7862535	0.34037468	0.074462526	0.19720979	-0.17557068	0.4779446	-0.4748501	-0.26456207	0.005799744	-0.48921672	0.09264351	0.6317361	0.9248732	-0.2860149	0.13967805	-0.9559587	-0.739216	0.1019941	-0.098852076	-0.4201896	0.08730842	-0.92203385	0.2474393	0.5832033	0.50594246	-0.31298533	-0.79611033	0.23078781	-0.27273557	0.34612003	-0.23492946	-0.2024894	0.41162932	0.20122926	0.0648615	0.084280305	0.32436222	0.32675117	0.49896547	-0.60313433	0.46956387	-0.43084246	-0.17431018	0.7231252	-0.026183335	-0.26564437	0.53778774	-0.46938512	-0.5052833	-0.9999144	-0.36492226	0.53748614	0.2840319	-0.42768508	-0.03183826	0.30977336	-0.10769229	0.23934907	-0.23149541	-0.31988966	-0.13288455	-0.5229185	-0.63159513	-0.037476275	0.99995446	-0.00675526	-0.46859723	0.6028396	-0.20736285	0.0753843	-0.6142308	-0.36514133	0.21582319	-0.4655233	0.62258685	0.004944939	-0.4560384	-0.44476888	-0.22412692	0.35677886	0.81403947	0.773671	0.4851555	-0.7349331	-0.20128796	0.5856154	0.20171787	0.025276085	-0.3140885	-0.023330517	-0.18037298	-0.9731235	0.34428638	0.7129469	0.6303918	-0.45108503	0.32891223	-0.14024884	0.28652674	0.701688	-0.637019	0.72837836	-0.24391541	-0.17197992	0.64318055	0.18213162	0.38980803	0.27070343	-0.22184859	-0.36527017	-0.32032645	0.99262404	0.17586558	-0.43453053	0.34940055	0.808743	0.28135946	0.08787531	0.17191115	0.51013094	0.50468373	0.9965022	0.17395076	0.13447835	0.40738794	-0.22175908	0.22634135	-0.4647843	-0.84770423	0.33217943	0.4532406	0.9310394	-0.2889265	-0.7905505	-0.43962443	0.60854167	0.9999706	-0.9635205	0.69275814	0.3251972	0.33699384	-0.28648144	-0.39942366	0.36089024	-0.4780539	-0.90276164	-0.9496698	0.55865425	0.89579076	-0.37062067	-0.003352728	-0.23838528	0.19373332	-0.47719485	-0.102151334	-0.17920287	-0.20620376	0.38405946	0.96401846	-0.25265017	0.050862864	0.030447744	-0.19791585	-0.53973424	-0.4487398	0.082694516	0.54355985	-0.5159706	0.5686608	-0.4866918	-0.09466133	-0.15513638	-0.093051024	-0.359786	0.41583768	0.3521799	0.15744391	-0.18435478	-0.6664745	0.13958909	-0.03786701	0.56740093	0.07820349	0.4985469	-0.34045827	0.015031	-0.6376012	-0.5223356	-0.5161106	-0.77562886	-0.9043795	0.03617552	-0.5634457	-0.3191847	-0.35486636	0.15551506	0.19787171	0.9996574	0.03653615	0.6792592	-0.22691254	0.3824665	0.12296752	0.76172614	-0.9291437	-0.058477107	-0.32767233	-0.14213662	0.12646765	-0.22701594	0.060090505	0.55234843	-0.15999883	0.4119471	0.40588292	0.99328005	0.27368534	0.2962616	-0.48126894	-0.6032002	-0.6953459	0.000553196	0.71589667	-0.7175891	0.102295965	-0.6269791	-0.06914455	-0.12593035	0.11134682	0.27665055	-0.033373892	0.6017174	-0.6882421	0.1396431	-0.64283025	-0.8499655	-0.07412419	-0.016526425	-0.65291417	0.19071127	0.733006	-0.27236593	0.002098071	0.24742207	-0.7241594	0.036532164	-0.69031024	-0.35348308	-0.36620393	-0.43216768	0.4331297	0.12797795	-0.48124456	-0.4978018	-0.5519928	-0.3439338	0.8989358	0.26326385	-0.9336843	-0.56306005	0.99915737	-0.69268924	-0.55709	-0.9754645	0.03876655	-0.46401814	-0.60200226	0.22047596	-0.21914339	0.07883051	-0.03230678	-0.09891969	0.06435306	0.020168174	0.1155817	0.12706028	0.19320153	0.2257479	-0.99996287	0.9878178	-0.15156518	-0.09351041	0.19549333	0.81025016	-0.2836193	-0.6176382	0.10361303	-0.03572834	-0.14927256	-0.20113118	-0.52892	-0.33093968	-0.37792307	0.49967873	0.103510424	-0.44915035	-0.18324609	0.5676957	-0.9997956	0.32020524	0.22361442	0.29954222	0.41329938	-0.4219912	-0.6889978	0.49163783	-0.47441834	0.55564404	-0.27630764	0.4304705	-0.16287008	0.9331201	-0.43264544	-0.690153	-0.15989076	0.24849254	0.106156945	-0.537837	-0.42189434	-0.60833514	-0.3163209	0.04531551	-0.9854589	0.35072872	0.42936498	-0.40519896	0.23416184	0.1692614	0.31784588	0.36879534	-0.12273202	0.13815689	0.61258686	0.9975135	-0.1660485	-0.61498016	0.8016027	-0.38883868	0.46354806	0.9999746	0.24873865	-0.079030454	-0.4242399	-0.3635182	0.17260747	-0.6986885	-0.9959335	0.5590108	0.68108374	-0.6066532	0.17382205	-0.1658053
180	1	CC(C)(c1ccc(O)cc1)c1ccc(O)cc1	-0.7831542	-0.27417985	0.16111556	-0.15751016	0.65648764	-0.3926053	-0.5959313	-0.16445397	-0.04864097	-0.08020376	-0.8592308	0.008883532	-0.016896147	-0.6485651	-0.35933873	0.63212115	-0.22093111	-0.26177135	-0.07209744	-0.1832113	0.1546554	-0.77924526	0.5523734	-0.16064858	-0.06673379	0.36926314	0.15890767	-0.12769307	0.86899453	0.124954835	-0.35013783	0.12205057	-0.012777688	0.4226353	-0.26153296	-0.031355392	0.2969504	0.510484	0.9671124	-0.8861661	-0.94397527	0.001034194	-0.27863622	0.048653893	0.33536142	-0.9729575	0.14657599	0.004296656	0.92260635	-0.47710288	0.7156634	-0.1342425	-0.4229947	0.21301007	-0.9145044	0.19681565	-0.6868309	0.7190878	0.36541063	0.00585926	-0.3004559	-0.44990766	0.37872946	-0.09649131	-0.19073975	0.4418105	-0.12430338	0.5086684	-0.2181631	0.40127018	0.4070901	-0.87785	0.027653472	-0.000380129	0.7813232	0.076539405	-0.039573867	-0.42383322	-0.5062812	-0.9972007	-0.9113495	0.5341352	-0.82430303	-0.23353332	-0.0569502	-0.7641119	-0.2863379	-0.3313068	-0.2006979	-0.45778185	0.4176569	0.025476731	-0.014909674	-0.30859667	0.7294824	-0.077320755	0.639898	-0.058960136	0.52108896	-0.14731137	0.058971565	0.24776296	0.07395656	0.8160239	-0.64996994	0.46325815	0.18431182	0.5294136	-0.9985839	-0.10192999	-0.13288194	-0.3611107	-0.1134615	-0.024584316	0.18869305	0.6819598	-0.20622355	0.34822127	0.99843043	0.27004096	-0.274613	-0.58895457	-0.50629145	0.1562873	-0.7344811	-0.085156076	-0.37823662	-0.30522296	-0.5432052	0.9997682	-0.45602375	-0.001439041	-0.19404136	-0.14806457	-0.34539226	-0.54624414	0.47459304	0.8515724	-0.84023815	-0.5067772	-0.99993324	0.503695	0.9860857	0.18051897	0.0892696	0.010703781	-0.11313409	-0.3583589	0.6650994	0.3273543	0.31104955	-0.853649	0.34855852	-0.01072052	-0.28256315	-0.024407713	-0.078847244	0.9656263	-0.75532424	-0.15412383	-0.9823705	0.34090853	-0.16476306	0.20279624	0.15859725	0.2590055	0.78407305	0.5023792	-0.2620857	-0.19889866	-0.4030251	-0.19041488	0.43798873	0.17683335	-0.2892805	-0.9857925	-0.79114014	0.3805782	-0.38349277	-0.4481063	0.020411951	0.045822997	0.055377897	0.59055483	-0.30358264	-0.046743758	0.28388253	0.2698414	-0.16051702	-0.24090837	0.50264585	0.011928369	0.24713196	0.6249344	0.29455614	-0.7673228	0.07600292	0.5900366	0.33677962	-0.1283259	-0.6669945	-0.24089429	-0.21751814	-0.04960999	0.3264062	-0.034794834	0.30770332	-0.11755331	0.32265854	-0.99899876	-0.5448271	0.25258622	0.3598516	-0.1740698	0.6181532	0.25011304	0.06342501	0.56091386	-0.54546654	0.33221257	-0.052890792	-0.44754383	-0.33313537	-0.36361602	0.99997306	-0.017355556	-0.15672767	0.36587313	0.23916481	0.3729631	-0.38086268	-0.6304946	0.7436702	-0.19244444	0.40713	-0.41431126	-0.1572708	-0.11014096	-0.03566262	0.32977223	0.8222743	0.4793574	0.17571358	-0.7653188	0.6052402	0.494441	0.6003869	0.32916594	-0.2630431	0.09541723	-0.3099934	-0.9741584	-0.37968883	0.4436642	0.6212403	-0.39101925	-0.5931729	0.13874951	0.75600445	0.08278414	-0.6031368	0.6210361	-0.36475238	-0.48631385	0.34154913	-0.031954758	0.5140983	0.4732194	-0.8576925	0.28439286	-0.63751316	0.63617104	0.22251335	0.08401884	-0.13086796	0.42103356	0.1227143	-0.24513498	-0.067761295	-0.39767033	0.57076186	0.9994875	-0.031878147	0.38656217	0.017054467	0.12122333	-0.2810861	-0.2553566	-0.289422	-0.13029686	0.4570505	0.99662024	0.17136742	0.3853426	-0.14864647	-0.3858238	0.9999866	-0.99111134	0.5897179	-0.13471496	-0.021562953	-0.34866482	-0.41161364	0.024953227	-0.24675877	-0.95872897	0.6303843	-0.09642996	0.3770611	0.08029773	0.3422427	-0.37569073	0.11396381	-0.42395347	0.79402274	-0.38310713	-0.28931338	-0.19969282	0.94399416	0.34216624	-0.26430967	-0.071827754	0.47108272	-0.665105	-0.6125788	-0.14288838	0.26751372	-0.9145939	0.3379981	0.088855326	0.5428446	-0.03002676	0.5046613	-0.4660779	-0.16894184	0.65915364	-0.14407524	0.38935468	-0.2886302	-0.057031635	-0.55519223	0.121222705	0.3025738	0.43929392	-0.24531391	0.012977675	-0.5832355	-0.67396396	-0.38483545	0.45023978	-0.9908072	0.10426143	-0.56533587	-0.180735	0.2118248	-0.11111833	0.4630599	0.9996011	0.0982474	0.027646342	-0.08790421	-0.053618528	-0.64179707	0.25487235	-0.8863225	0.2813167	0.05321294	-0.19164066	0.19195063	0.33455265	0.62279403	0.50983614	0.49405426	0.8639786	0.6201752	0.9978036	0.44098672	-0.09707586	-0.302309	-0.064649515	-0.81515837	-0.2835952	-0.5160321	-0.71895766	-0.26765582	-0.14395294	0.64659935	0.2071712	0.15481041	0.5562192	-0.072940804	0.48263007	-0.035982195	0.3589645	-0.08257069	-0.12338221	-0.6527525	-0.18746369	0.6767334	-0.19392596	-0.87214655	0.26963204	-0.26404926	0.23330998	-0.49154833	-0.31850833	-0.62391114	-0.724849	0.035382155	-0.008150905	0.24426211	0.5171411	-0.49612394	0.46973714	0.29366967	-0.41366032	0.92763305	0.26039946	-0.9847481	0.082419425	0.9995117	-0.54661953	-0.14673395	-0.97093856	0.14290969	0.35606378	0.5894175	0.20536384	-0.68519145	0.7627614	-0.55344343	-0.4868302	-0.48990014	0.021733273	-0.49833483	-0.12644929	0.07296123	0.12520564	-0.9999842	0.99008113	-0.93134356	-0.06578978	-0.42919996	0.3498979	0.030825004	-0.81709874	-0.5824383	-0.12861593	-0.43411216	-0.13840677	-0.8672482	-0.5542695	-0.024100302	-0.42859197	0.31734785	0.08136895	-0.17099017	-0.77658224	-0.99995494	-0.48348442	-0.3965394	-0.1411537	0.33834347	-0.3866501	-0.98844093	0.25661305	-0.7671396	0.11321856	-0.19729911	0.038049873	-0.15782684	0.965611	-0.55789316	0.09558405	0.4811123	0.4479432	0.06559336	-0.9336188	-0.22037059	-0.5114625	-0.0880851	-0.05852332	-0.7483584	-0.12197779	-0.024415102	-0.63535565	0.094835006	-0.7133894	-0.032887515	0.6000103	-0.47463313	-0.31781057	0.46739277	0.7567632	0.11384329	-0.17849211	0.23776937	0.13294204	0.17495304	0.99970114	0.64796627	-0.03666491	-0.39427063	0.32209626	0.05401778	-0.20447852	-0.914181	-0.15061921	0.6651106	-0.2394705	0.51310855	-0.24322079
181	0	Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1	-0.5500886	0.3251913	-0.4669054	0.21755242	0.72831047	-0.6750545	-0.87212986	-0.616094	0.7163898	-0.2639272	-0.28813392	0.3546565	-0.2590059	0.28450656	0.26897714	-0.6347717	-0.7056693	-0.009697451	0.047630783	-0.17050159	-0.41818193	-0.16689603	0.46482673	-0.011926729	0.23110445	0.61735	0.72474134	0.42382887	0.8541625	-0.61575794	-0.1866389	-0.22251545	-0.5516409	0.63631254	0.055234507	0.4404314	-0.35209465	0.30383477	0.99829257	-0.58292127	-0.70621645	0.32003573	0.28020376	-0.04485811	0.6457488	-0.6875823	0.11359752	-0.5973532	0.96142256	0.42163438	-0.2199465	0.5236804	-0.5276132	-0.072360754	-0.8815338	0.414124	-0.84090453	-0.47974116	-0.4680611	0.0902701	-0.24962847	-0.03959928	0.8321768	-0.65447706	0.009101252	0.65838045	-0.155197	0.15539074	-0.36072472	0.46992365	0.05229611	-0.3090442	0.65897775	0.18486834	0.9134146	-0.49818483	0.48764378	-0.39169088	-0.07289028	-0.98857605	-0.8224092	0.5519181	-0.84693414	-0.30936295	-0.2800075	-0.89574766	0.13831128	-0.042742506	-0.41374278	-0.14284967	0.2512254	-0.3079296	0.2506057	0.28677464	0.7880658	-0.35557097	0.53206265	0.07329313	0.16564035	0.5356935	-0.32670155	-0.23985332	-0.49535576	0.62062496	-0.9931461	0.49851587	-0.5224016	0.48738045	-0.9987335	-0.5227874	-0.48754132	-0.16754748	-0.53677374	-0.6349384	0.33664763	0.72017634	0.3973133	0.51289123	0.9945552	-0.11308996	0.06297226	0.051018614	-0.2324355	0.03658609	-0.7396938	0.80271935	-0.33392975	-0.32402116	-0.18010664	0.9999284	-0.50778323	-0.009316911	0.526055	-0.097951755	0.035020966	-0.43197688	0.8128006	0.91042674	-0.848814	-0.39867657	-0.9999788	-0.20307092	0.9741007	-0.002867683	0.84578687	-0.6758451	0.1735009	-0.6250387	-0.8789028	-0.3440809	-0.18681829	-0.69064105	0.27784887	-0.21864921	-0.31294778	-0.08650645	0.30467615	-0.07475866	-0.86574495	0.18575287	-0.80665696	-0.059090562	-0.10734132	-0.41297853	0.2867382	0.70118123	-0.26342636	0.35444352	0.24720271	-0.6472074	-0.91531897	-0.013095804	-0.14996247	0.18566708	-0.34800658	-0.9729124	-0.7987341	0.1733358	-0.3174777	0.09702057	-0.35560027	0.18430187	-0.28572744	0.36737698	0.61489975	-0.26266527	0.59252423	0.752213	-0.2366414	-0.61296296	0.61322635	0.48061073	0.26444495	0.48454222	-0.37799552	-0.13323595	-0.06104172	0.30772597	0.5863691	-0.2503137	-0.54617673	-0.21168724	-0.74916315	0.4084835	0.13905406	-0.006338975	0.83268535	0.15361078	-0.10574845	-0.9998803	-0.58472157	0.7417926	0.3156821	0.011244254	-0.27816597	0.17685032	-0.24449025	0.6077719	-0.72985166	0.44648242	-0.37259635	0.3485837	-0.09750593	-0.2650186	0.9997551	0.11689064	0.5951966	0.11272836	-0.43486756	-0.055619568	-0.6184481	-0.6987104	0.9125415	0.31462884	-0.173471	-0.07517077	-0.73244315	-0.2304352	-0.1345259	0.48199782	0.5847095	-0.32789797	0.16241634	0.17174082	-0.13414817	-0.13967746	0.42488146	0.21060672	-0.24030343	-0.27284175	-0.29946965	-0.9804654	-0.7083965	0.4833429	0.6684472	-0.6441744	0.30544665	0.02344634	0.652182	0.024767557	-0.4275032	0.2422235	0.5851506	-0.59484154	0.3484504	-0.6576692	0.3981272	0.025058901	-0.68248737	0.6871454	-0.81983	0.94177896	0.3102572	-0.17930368	-0.76895154	0.9060089	0.25655955	-0.43562624	0.029127551	-0.84486085	0.45531398	0.9968862	0.008939206	0.48726276	0.31307688	0.43581173	-0.29958275	0.22970243	-0.65763587	-0.7255998	0.14174274	0.919456	-0.2798954	0.8219447	-0.4274357	-0.8404129	0.99996436	-0.997417	-0.14876491	-0.16390099	0.1441022	-0.564626	-0.64122874	0.6803448	-0.25298953	-0.93776	-0.88472664	-0.28752658	0.44546586	-0.40749425	0.529498	0.35505575	-0.08724633	0.11333722	0.75666946	-0.018809421	-0.21145788	0.09713353	0.9445489	-0.30264702	0.018294184	-0.31998104	-0.031931475	-0.121345334	-0.66379464	-0.4609305	0.5297391	-0.94695574	-0.22003567	-0.3438989	-0.018816298	-0.8054239	0.024459707	-0.26609173	-0.8028344	0.91598004	-0.073153324	0.034533523	-0.5252412	0.13105844	-0.5358401	0.56017816	0.6578053	-0.5526445	-0.37639478	-0.51800334	-0.63403064	-0.8070796	-0.41692448	-0.65718615	-0.92861444	-0.24175146	-0.6106002	-0.23670392	-0.396517	0.11297426	0.10928668	0.99990594	0.033533223	0.43790638	-0.27030653	-0.68607086	0.06297158	0.28172886	-0.92877513	0.08445677	0.27582076	0.3166997	0.08466493	0.40336958	0.22136825	-0.21581611	0.8204812	0.54387957	0.36847195	0.99717015	0.08174765	-0.37894022	-0.56189656	0.76970553	-0.6841236	0.15508291	-0.7993056	-0.49955678	-0.81720996	0.23658197	0.6728006	0.69819564	0.07042534	0.6468009	-0.0841486	0.4982736	0.16332825	0.77234286	-0.050417837	-0.6159362	-0.89334273	-0.71432835	0.8672616	-0.4308566	-0.619996	0.2331706	-0.21280055	0.1163225	-0.17138676	-0.5820996	-0.41117656	-0.42539722	0.57989436	0.47462413	0.42883536	0.6706322	-0.19450057	0.79904443	0.4576317	-0.21513957	0.9077206	-0.102295786	-0.981549	0.43588707	0.9995102	-0.8227406	-0.35117224	-0.97535884	0.48096797	0.552877	0.6876029	-0.1319772	-0.23443528	0.47211078	-0.000856783	-0.80474156	-0.48071966	-0.750848	-0.1996965	-0.4782462	-0.16609615	-0.43609068	-0.999988	0.98799884	-0.8018756	-0.24262896	-0.31037945	-0.13001022	0.027921243	-0.86597955	-0.8719085	-0.14525679	-0.83581656	-0.09829786	-0.89485496	-0.054159194	-0.18141012	-0.55362844	0.65314764	0.416046	0.000735581	0.45469564	-0.9999099	0.060000375	0.06553956	-0.44862354	0.21941847	0.5269994	-0.9768744	-0.11794605	-0.76105106	-0.31675747	0.022319514	0.080026224	-0.23974918	0.9308181	-0.52911264	-0.37256065	-0.05080023	0.15060672	0.14326474	-0.8115989	-0.40691423	0.16336419	-0.66812176	-0.6608925	-0.98675585	0.07634105	0.32399866	0.4080805	-0.4737327	-0.33939117	0.2713475	0.83767277	-0.7777422	0.023409182	0.46658897	0.9867643	-0.07072454	0.46995658	0.15215227	0.27047512	0.7582267	0.9841089	0.84197634	-0.54674673	-0.69999367	0.20287089	-0.13339671	0.5882826	-0.99376404	0.18255578	0.58560807	0.5453893	0.4648844	0.008959791
182	1	CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1	-0.7292222	-0.27080658	0.008062146	-0.4656232	0.64847064	-0.5342819	-0.59043276	-0.14604084	0.051706467	-0.13965023	-0.88235605	0.16271818	0.03905515	-0.81523776	-0.27771756	0.52852607	-0.085451156	-0.5016052	-0.058358017	-0.27732792	0.15744331	-0.7179456	0.5436071	-0.38882017	-0.035540555	0.37863046	0.19763729	-0.13783409	0.8607408	-0.17149502	-0.4075311	0.02918116	0.030254869	0.18717161	-0.1703077	-0.37012744	0.44778442	0.34325373	0.9817948	-0.8298388	-0.8971303	-0.06764631	-0.14159065	0.03982409	0.50478905	-0.9560608	0.037829515	-0.052232426	0.9645329	0.29914188	0.5716274	-0.002197087	-0.48121604	0.14231397	-0.9306506	0.2235059	-0.6603219	0.64521635	0.42853016	0.050671045	-0.3191398	-0.2718184	0.28986424	-0.3624461	-0.43447757	0.533062	-0.29093438	0.5241612	-0.21400914	0.24783982	0.4525503	-0.71983767	0.03532511	0.026832292	0.79220915	-0.044433765	-0.17681114	-0.4032003	-0.54637367	-0.99365497	-0.9002143	0.48967952	-0.889869	0.18842228	0.25651708	-0.82940346	-0.11134278	-0.38973722	-0.14217441	-0.45497814	0.26896507	-0.060462527	0.0652546	-0.35576403	0.68500614	-0.25553828	0.7537565	-0.026202498	0.28415522	-0.04918338	-0.041573104	0.2986895	0.029817397	0.734755	-0.8013482	0.43078113	0.31659386	0.19591403	-0.9979961	-0.3590844	0.015708257	-0.39235362	-0.16553377	0.040111188	-0.05203887	0.67249286	-0.37194994	0.39520457	0.9979737	0.45655012	-0.21438858	-0.56104594	-0.5476614	0.026673632	-0.6817288	-0.12652504	-0.37118125	-0.26020646	-0.39959404	0.999878	-0.26748616	0.2394408	-0.41006872	-0.10347071	-0.28198317	-0.688555	0.48337662	0.8700691	-0.8419369	-0.5219393	-0.9998895	0.42846355	0.98702455	-0.05829885	0.14758436	-0.28232312	0.019284528	-0.20971702	0.3063013	0.13565007	0.33237994	-0.92805785	0.48739073	0.123675786	-0.3902006	0.086276986	-0.074871555	0.92540157	-0.7734136	-0.25507477	-0.97907305	0.14837274	-0.2475214	0.20377013	0.3816665	0.5578614	0.84879714	0.34844324	-0.47736734	-0.34534672	-0.4893797	-0.30955532	0.5236627	0.27048326	-0.19441451	-0.9820616	-0.7844267	0.36365604	-0.50763756	-0.3512	0.16512343	0.036143064	0.120479345	0.6152799	-0.010047707	-0.31432617	0.018480273	-0.09574443	-0.13364801	-0.1364719	0.33336222	-0.06510208	0.33853716	0.4837604	0.26511073	-0.761785	-0.21641487	0.5458056	0.22821175	0.08381909	-0.53592515	-0.045918956	0.45229596	0.050195485	0.6107008	-0.12907639	0.19768864	-0.1025893	0.09193401	-0.9994237	-0.4282955	0.2310655	0.40633762	-0.19132467	0.6277651	0.38627538	-0.04315703	0.6685349	-0.46749076	0.033182293	-0.07154545	-0.20152964	-0.3171439	-0.3416759	0.9999408	0.09450764	-0.23745011	0.4060603	0.35249594	-0.116559535	-0.35681975	-0.61975235	0.7483297	-0.096094824	0.44918382	-0.38903412	-0.001483742	-0.58609176	-0.36389148	0.4096719	0.7723927	0.5524457	0.2733619	-0.69647557	0.52817106	0.4642569	0.46662426	0.16774194	-0.41109288	0.0392075	-0.2715624	-0.97030866	-0.3094522	0.30478257	0.59877247	-0.38066897	-0.53752834	0.0374682	0.7923191	-0.054970194	-0.60350615	0.6437722	-0.5485286	-0.41078877	0.5356597	-0.09158675	0.49359637	0.56013006	-0.8580342	-0.027748296	-0.7225099	0.8918599	0.23340979	0.3029731	-0.3537007	-0.27901867	0.1984873	-0.3369263	-0.025311282	-0.13575166	0.6324636	0.99932057	0.19077966	0.22096846	-0.16868067	0.32375032	-0.17201939	-0.12705487	-0.47898874	-0.18750253	0.38270128	0.99381757	0.40217823	0.679765	-0.09133592	-0.4815683	0.9999776	-0.99521357	0.42008913	-0.08834884	-0.057260923	-0.39795667	-0.52667356	0.36214483	-0.2621276	-0.9788007	0.31400627	0.32342944	0.407353	0.22393265	0.39314437	-0.27844757	0.19776846	-0.3660176	0.76778406	-0.33903033	-0.3913994	-0.19468471	0.9377224	0.51030505	-0.092160165	0.12588574	0.42056385	-0.67032367	-0.6341334	-0.61147577	0.38312435	-0.9190054	0.48083454	-0.12415674	0.5151963	-0.21937838	0.29910624	-0.43828067	-0.3027753	0.78225034	0.1493793	0.53382134	0.08644574	0.13319989	-0.6189661	0.35271612	0.38537532	0.34082997	-0.016163835	-0.1359107	-0.7382255	-0.44942394	-0.31095716	0.27657405	-0.98767227	0.14110847	-0.45150355	-0.082779974	0.4201542	0.06698152	0.4732445	0.9998052	-0.14542459	0.100000255	0.1424625	-0.10720071	-0.6682219	0.28708202	-0.9187505	0.19345832	0.07071114	-0.11981601	0.06722966	0.63999873	0.7071171	0.5534037	0.46051496	0.7760316	0.77175367	0.99691397	0.4948556	-0.12718742	-0.14293595	0.3193511	-0.812293	-0.39379945	-0.47151133	-0.59494555	-0.21880335	-0.16701558	0.37697393	0.37803742	0.047146495	0.5331149	-0.20232248	0.60061467	-0.086036354	0.19756934	0.02057437	-0.3746476	-0.7280849	-0.69976807	0.7506758	-0.26427287	-0.89030594	0.36894318	-0.3374447	0.16139726	-0.28842834	-0.3485967	-0.43576604	-0.6770267	0.03633391	0.010337684	0.0862987	0.5067005	-0.3140778	0.51114196	0.47343487	-0.5355663	0.92919725	0.103019364	-0.97401595	0.14027753	0.99949265	-0.33070585	-0.4065341	-0.9701202	0.2173944	0.30811137	0.6823782	0.44586343	-0.51432014	0.8730219	-0.5935561	-0.65241957	-0.44182926	-0.20398223	-0.472717	-0.31030178	0.12471501	0.14828072	-0.9999799	0.99085957	-0.9155287	0.09165082	-0.24640718	0.42184603	0.045363873	-0.81602126	-0.56193966	-0.22073217	-0.56218755	-0.09157605	-0.8807892	-0.48559287	-0.2818913	-0.4314942	0.14488125	0.06935122	-0.071024165	-0.66298836	-0.99994534	-0.56432873	-0.36928868	-0.18507566	0.41013074	-0.47220764	-0.9889572	0.19288366	-0.7198381	0.17884278	-0.1500941	0.055261344	0.12449343	0.9529939	-0.42386594	-0.3189915	0.5457968	0.49432415	0.21340904	-0.9356983	-0.41450602	-0.6192266	-0.12667821	-0.14308381	-0.92846817	0.0641595	-0.11900538	-0.6855332	0.050166026	-0.7188922	0.024712333	0.6644129	-0.4909931	-0.40074122	0.6398125	0.8901313	0.11550319	-0.36341125	0.010469377	0.014865792	0.1050038	0.99973094	0.6202668	0.14760613	-0.43572968	0.53694314	-0.061838433	-0.045089323	-0.95441586	-0.33062235	0.74074435	-0.26293847	0.5311831	-0.25786838
183	0	OB(O)O	-0.28239688	0.12856713	-0.834609	0.9373023	-0.09287184	0.20083718	-0.66678214	0.12577623	-0.70345503	0.13031489	0.09819033	-0.39581245	-0.75313705	-0.409925	0.44484937	0.66749185	-0.16421017	0.41361913	-0.007101675	-0.18956502	0.6491781	-0.6893662	0.5830693	-0.2895979	0.09261416	0.097192295	-0.000923428	0.05803922	0.4669896	0.02309043	-0.5533101	0.57622564	0.39155734	-0.070797764	-0.21690255	-0.31617388	-0.32516667	0.44085452	-0.8610467	-0.4090378	-0.56086326	-0.3106039	0.016824443	-0.12172865	0.24513605	-0.90834475	0.3829217	-0.4312552	0.8723788	0.52210784	0.48906758	0.1633084	0.012130134	0.03448507	-0.6234693	-0.17152281	0.134779	0.80656517	-0.49867192	0.09883076	-0.76834035	-0.6260096	0.17243677	-0.6874372	0.050784852	0.13478255	0.26227394	-0.6323891	-0.4201698	-0.6600808	0.35828272	-0.9982854	-0.30860674	0.79526067	-0.5392756	0.6381215	0.2896182	-0.04924172	0.18456382	-0.9639188	-0.9462564	0.32377312	0.3011481	-0.19785638	-0.106763445	0.98181504	0.61426455	-0.37877715	-0.21874805	0.015059292	0.08886188	0.17838225	-0.187368	0.21048804	0.8564221	-0.548019	-0.98200804	0.22004129	0.2846373	-0.3278592	0.32804045	-0.54285264	0.2887932	-0.9185996	0.93633324	0.20175669	0.2526594	0.4772266	-0.9998432	0.42400658	0.02524214	-0.39331102	0.22449394	-0.6123945	0.46105665	-0.07413526	0.44097623	0.056006767	0.97256786	0.4571235	-0.19015682	0.47456625	-0.587417	0.21998219	-0.018776406	0.48614797	-0.5487	-0.10817519	-0.17596619	0.30651692	-0.251481	-0.52603203	-0.11812031	0.18796706	-0.45241445	0.98203826	0.57756984	-0.46781605	0.4917048	0.17625554	0.97712225	0.36465597	0.5441715	0.6310089	0.1674228	-0.2531614	0.40319815	-0.06736203	0.94504887	-0.27731	0.05204263	-0.3207245	0.25724414	0.18170622	-0.05275366	-0.6729875	0.18509895	0.96562064	0.21239837	-0.5980306	-0.88770264	0.38286516	-0.006873387	0.37823087	-0.43572494	-0.29902443	-0.16833961	0.7606881	-0.48957637	0.11278552	-0.6338099	0.33820653	0.18259186	-0.69481295	0.24724236	-0.64027524	-0.5429127	-0.31789437	-0.34816542	0.21181929	0.54400796	-0.91327935	0.11795557	-0.08324483	-0.2793048	0.15439633	0.25046366	0.6723168	-0.7886122	0.66164756	0.755533	0.6173564	0.053616278	-0.13383703	0.0751258	-0.37993634	0.24382041	0.8524592	-0.47130233	-0.41047183	-0.89170456	0.000391293	-0.73520637	-0.123400934	0.49070218	0.13502158	-0.036419626	0.71192616	0.014764997	0.9319904	-0.5183806	-0.31795505	-0.49482334	0.06440536	-0.01707788	0.23846202	-0.5447523	0.33850533	0.42876968	0.2910375	-0.50357187	-0.25933528	0.7435541	0.4763874	0.9999999	-0.23593934	-0.34969467	0.09540581	-0.43584284	-0.25448948	0.11270728	-0.5390848	-0.23746789	-0.29017654	0.18591696	-0.37714353	-0.5800543	0.625487	0.061586827	0.13569584	0.68851423	-0.64393026	-0.7263519	-0.40848505	0.35717884	0.28435096	0.7094907	0.16065101	-0.5843965	-0.30934873	-0.12695865	-0.98609823	0.09157387	-0.08391276	-0.2500084	0.17748056	-0.46916452	-0.36634642	0.44744366	0.32698962	-0.33807948	0.47024715	0.5154396	0.010980537	-0.4760321	-0.17530078	0.21442692	0.4609496	-0.83237207	0.61014706	0.002197247	-0.2850367	0.060534354	0.27586797	0.6284806	0.89008564	-0.117655195	0.29027498	-0.23851001	0.17663883	0.06850098	0.9791332	-0.083337076	0.4760857	-0.75204116	0.4327468	-0.7776007	-0.9883335	-0.9131644	-0.60661536	0.55029184	0.9709964	-0.06606371	0.61412114	0.1847265	0.50366694	-0.96762747	0.92889065	-0.19049475	-0.047225628	-0.47281522	-0.017934674	0.17251982	-0.10967437	0.1664242	0.4269625	0.99206316	0.30404222	-0.40207964	-0.17477669	-0.49616426	-0.40593705	0.49768212	0.028259506	-0.032603037	0.30938345	0.7747291	-0.55004275	0.9988769	0.20344569	-0.60518754	-0.027595647	0.4359269	-0.3700539	-0.62203926	-0.15374298	-0.37512273	0.16785985	-0.09401803	-0.081576005	0.37404132	-0.08385314	0.51848865	-0.22209601	0.24109694	-0.84436274	-0.44544706	-0.5671352	-0.4687947	-0.52538836	0.062696144	-0.149605	-0.13603534	0.4102596	0.48968637	-0.29802114	0.09596451	-0.26414207	0.73693204	0.8854873	-0.8031525	-0.006390167	0.28459847	0.29923335	-0.15552089	0.07374429	0.0163425	-0.93619174	-0.46137112	0.78997505	-0.1690436	-0.05996331	-0.08332921	-0.15159318	0.3711202	-0.40624762	0.12640475	-0.67440504	-0.35439458	-0.11229316	0.5546533	-0.09506099	-0.19231914	0.77857524	-0.12591398	0.99999905	-0.025315266	-0.5848099	0.17351513	-0.55533695	-0.7618331	0.049499866	0.23255396	0.37069726	0.33974126	-0.22298034	0.16200991	-0.54673815	-0.16576964	0.22246309	-0.41020435	-0.48789045	-0.42283085	0.22250752	-0.49806085	0.10571007	0.23000847	0.9245248	0.744033	0.8240165	0.08966794	0.15155138	0.25512075	-0.81818384	-0.054530405	0.6825217	-0.30917516	0.88938445	-0.14803289	-0.49917364	-0.37896672	0.473354	-0.105490796	0.3114759	0.7637933	-0.43888092	-0.84838176	-0.4346831	0.22867775	-0.38438034	-0.3046515	-0.65255797	-0.30045596	-0.2183335	-0.28553665	0.47948584	0.2938732	0.19258562	-0.51125115	0.22692135	-0.34387156	0.9663326	-0.45675054	-0.021941915	-0.011580931	-0.100877956	-0.19547957	-0.02066498	-0.9988011	-0.9994491	-0.9630137	-0.5631964	0.38606116	0.6142068	0.11699759	-0.43624625	-0.2032927	0.32241803	0.2859758	-0.10764596	-0.29894233	-0.25334486	-0.11755649	0.04660183	-0.4606034	0.36998507	-0.31490114	-0.9606983	-0.99661654	-0.16288817	-0.4096311	0.17087933	-0.013915698	-0.26735413	0.2847051	-0.25407907	-0.70983875	-0.009877154	0.16614302	-0.74485207	-0.25918943	-0.94409686	0.4294629	0.74730235	0.30226994	0.40898627	0.10119871	-0.8922404	0.35305625	0.06383025	-0.74557745	0.95016307	-0.9978468	-0.027748695	-0.7151305	0.7540319	0.18495502	0.08619208	0.12102205	-0.09272767	-0.5699387	0.04039922	-0.52392566	-0.971393	0.43743888	-0.38360354	-0.15109862	0.18242183	0.601381	0.8803417	-0.46416786	0.03719716	-0.0729372	0.36289516	0.1605155	0.4296538	0.9110211	0.24287058	-0.53546417	-0.8292971	0.20616646	-0.28612983
184	0	O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl	-0.8613052	-0.42144737	-0.19790922	-0.2853135	0.4692948	-0.51277125	-0.36945966	-0.09144473	0.5239145	0.05280999	-0.79381704	-0.111861296	0.15285483	-0.69074154	-0.16043654	-0.042468645	0.015234367	0.307623	0.13192558	0.36910802	0.21785626	-0.37045562	0.1418723	0.13210359	0.09186561	0.6041987	0.084427856	-0.05632402	0.56514543	-0.16752702	-0.08866353	-0.089423865	0.27416542	-0.065547705	0.103539005	-0.13464335	0.40449387	0.7286898	0.9979697	-0.9165053	-0.9399873	0.13957699	-0.5787844	0.21129626	0.526969	-0.71704936	0.103577614	-0.11506634	0.7709653	0.45212188	0.055675212	0.16216327	0.52776766	0.005654031	-0.809106	0.41823643	-0.7392276	-0.064680934	-0.29268292	0.43471137	0.38333154	0.09983358	0.16361794	-0.63902444	0.016442867	0.71941435	-0.46190977	0.584089	-0.28051203	0.1358021	-0.8174877	-0.362243	0.14258294	-0.7463694	0.7225067	-0.34945336	-0.018000018	-0.44956556	-0.22781627	-0.99827904	-0.14406177	0.022351643	-0.7340064	0.10388163	0.5041217	-0.9731522	0.05451581	0.10721609	-0.7725345	-0.11679013	-0.11900899	0.25190604	0.007649219	0.6104551	0.98329896	-0.06949001	0.8083396	-0.10599937	-0.053892802	-0.21081427	0.46056938	0.10928886	0.23769876	0.9727202	-0.9834551	-0.50806105	0.0869743	0.053027112	-0.91791683	-0.14017725	-0.4830703	-0.39985114	-0.03114084	0.4018968	0.25039533	0.20828041	0.15142697	0.79542494	0.9865828	-0.28662506	-0.39584166	0.114808604	-0.18232052	0.15110773	-0.5920807	-0.03855855	-0.09595873	-0.3375979	-0.004115684	0.9999752	0.39848483	0.32513595	0.6318624	0.054302517	0.043007407	-0.99030226	0.5066057	0.6319805	-0.55602086	0.51971364	-0.9999912	-0.17820503	0.92485076	-0.23914649	0.100004636	0.28642327	0.46781918	-0.36771077	-0.7500971	-0.5295876	-0.0219115	0.6376379	-0.18065737	0.28323922	-0.17775552	0.060146414	-0.76268905	0.3759598	-0.67563236	0.6357888	-0.74044997	0.29950458	-0.40424517	0.057555392	0.39849642	0.4467472	-0.6267668	-0.16680495	-0.4691744	0.1156559	0.01722832	0.100575745	-0.010544538	-0.004588028	0.027549988	-0.9306482	-0.7457264	0.284559	0.08690127	0.2543818	-0.085479364	0.058199055	-0.015269942	0.18579973	-0.6443387	-0.23751234	0.06229532	-0.084649116	-0.030656246	0.050467834	-0.3905859	0.119952746	-0.635455	0.2820161	0.6244454	0.14080502	0.3201241	-0.7063516	0.8718112	-0.03698294	0.20575005	-0.25059044	-0.3110678	0.32100496	0.07106342	0.24780704	0.475723	-0.17192046	0.122887395	-0.9998815	0.17468297	-0.059667073	0.5691169	-0.11093288	-0.033362992	-0.232555	-0.2963938	-0.24335797	-0.03546358	-0.46716496	0.19211096	-0.065671846	-0.60797155	-0.64883906	-0.97446877	-0.24038719	0.3489764	-0.13849102	0.09170941	0.5311186	-0.5824651	-0.23171894	-0.37138042	-0.7411184	0.262225	-0.15025048	-0.635003	-0.6234692	-0.4805264	0.36547717	0.82996935	-0.07761203	0.5411372	-0.67419195	0.8415076	0.1756938	0.11549709	0.4136207	0.6075162	-0.2733008	0.66636986	-0.708461	-0.33936426	0.26787597	0.20892675	0.20827256	0.12730487	0.18259461	0.40171722	-0.11758862	0.13812958	0.6999338	-0.5268864	-0.6591733	0.32783976	0.4482023	-0.28219765	-0.30324176	0.8218119	0.035539847	-0.13829532	0.7557298	-0.34431234	-0.42336416	0.56767875	0.822614	-0.2162317	0.17352207	-0.032530516	0.52838427	0.49094835	0.9975	0.14837573	0.61836344	0.103770725	-0.053118512	-0.40219304	0.69735116	-0.72516215	0.19597974	0.04920157	0.9456267	0.020597491	-0.26364943	0.11906082	0.20450415	0.9999984	-0.9970582	0.21562411	0.10408289	0.12586997	-0.33363357	-0.7276501	0.34946686	-0.014692022	-0.55684775	-0.9035217	0.6710582	0.7417615	0.28010273	-0.06779096	-0.78219044	-0.10874728	-0.4788508	0.80062944	-0.66054	-0.14477538	-0.23220716	-0.96870303	0.054589562	-0.3733002	0.6352913	0.23202775	-0.7158087	-0.6105577	0.21023443	0.4858939	-0.9817799	0.07157817	0.07134718	-0.51966697	0.24405736	0.1532542	-0.59399074	0.33311713	0.916336	0.20277318	0.5021809	-0.6222773	0.2965473	0.22667134	-0.014205762	-0.3371867	0.69502264	-0.003559537	0.6380581	0.17931485	0.12726611	-0.8166757	-0.6869182	-0.972531	0.16141464	-0.033164658	-0.038852315	0.11182262	0.56232536	-0.3806115	0.9993659	-0.027930481	-0.5342411	-0.22144845	-0.3588331	0.1743117	0.41972867	-0.94534355	-0.2400971	-0.029087104	-0.6315141	0.01933204	-0.2702256	-0.48319033	0.36161935	0.23803677	0.31705272	0.014130092	-0.9957567	0.24283685	0.4506622	0.10226487	0.3257548	-0.319299	-0.16299596	-0.18427847	-0.71121407	-0.04690512	-0.2926707	-0.13242358	0.21220991	-0.002637965	0.7164693	-0.37952137	-0.02767217	-0.09727809	0.21644175	0.53683066	-0.041443568	-0.5701286	-0.577966	-0.15984355	-0.72127295	-0.24200988	0.13773605	0.61187035	0.14881495	-0.120571926	-0.8092251	-0.41057634	-0.64990777	0.08382555	0.24818906	0.7524044	0.478159	0.75343806	0.5011051	-0.33743528	0.23686607	0.99995875	0.2697142	-0.97737676	0.0318695	0.999315	-0.49138954	-0.46950817	-0.99913543	-0.072588	-0.28595737	0.604232	-0.47679716	-0.5100073	0.5253194	-0.003261521	-0.7363567	0.02242454	0.6863223	-0.51529086	0.072622456	-0.10904299	-0.16912495	-0.9999778	0.9999996	-0.3759434	0.338032	-0.35461155	-0.067705214	0.23225729	-0.56439054	-0.7855345	0.38406074	-0.119388945	0.1381345	-0.91833097	0.106744	-0.39090696	-0.29228196	0.23418978	0.2587125	0.104006626	0.5528545	-0.99978936	-0.000944928	-0.66636	-0.16583104	0.12523918	-0.22886167	-0.9897897	0.19462779	-0.023153301	0.016939841	-0.03181747	0.3493876	0.38830087	0.9800672	-0.46196583	0.6895841	0.14296143	0.46074468	0.31734598	-0.5292174	-0.30862647	-0.1571029	0.11823018	-0.67423207	0.54142046	0.4142644	-0.06725871	-0.13722353	-0.47540686	-0.33009177	-0.121042006	0.7161275	-0.09087197	-0.32245207	-0.25880024	0.993957	-0.3940468	0.07673433	-0.2716172	-0.22306821	-0.34073967	0.9998684	0.8983737	0.23724337	0.5959617	-0.08612101	-0.2604065	-0.15627353	-0.9826371	-0.16001776	0.45900074	-0.35344377	0.18175769	0.07016239
185	0	CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O	0.2516402	-0.11791315	0.63968	0.49822196	0.18935584	-0.17306481	0.035159923	0.1615464	-0.10816438	0.36341387	-0.59516513	-0.8401476	0.20738916	0.03857876	-0.003421751	-0.6412814	0.56766176	-0.8156249	-0.21821392	-0.7586308	0.2668506	-0.6432339	0.7608288	-0.34372002	-0.52370435	0.7506587	0.30240756	-0.040514268	0.016090125	-0.793873	-0.33613613	0.541528	0.035060883	-0.31854782	0.4729096	-0.12640934	0.31077352	-0.09784578	0.90430176	-0.5866257	-0.99813044	-0.6270444	-0.37863803	0.078362815	0.058002964	-0.98905313	0.39396685	0.5432434	0.37013412	0.35339087	-0.5294268	0.33303025	-0.19302431	0.17878598	-0.8525778	0.023891823	-0.668913	0.5548466	-0.5786289	0.12695366	0.19859743	-0.024881171	0.39706102	0.661162	0.18002157	0.3205628	0.12733683	0.34050566	0.16451447	-0.3220704	-0.95479804	-0.99745417	-0.12359868	-0.18478173	-0.3916975	-0.08506795	-0.16935371	0.12888525	0.76876295	-0.99992514	-0.46428263	-0.2749291	-0.9064032	0.53413206	0.3226013	0.34400827	0.5459897	-0.3357198	0.16843918	0.426657	0.4237486	0.39050063	0.005094573	-0.13881509	0.98420924	-0.63032764	-0.33199602	-0.054323014	0.038168907	0.08373974	0.22182192	-0.42608517	0.08470966	-0.78701705	0.1934397	-0.79964316	-0.28132948	0.19791324	-0.9842371	-0.028663663	-0.108102486	0.41497472	0.30004537	-0.20756449	-0.47180894	0.70787734	0.02868992	-0.4474033	0.9996333	-0.4726596	0.13782765	-0.2090582	-0.005574407	-0.12976001	-0.23438783	0.48752877	0.44376692	-0.35918182	0.67902285	0.99524236	-0.20544645	-0.36851582	0.13071251	0.5183178	-0.17566937	-0.97993207	0.23576207	0.27435824	-0.82735217	-0.76311475	-0.99671966	0.15617068	0.95404005	-0.22849861	-0.8651689	0.35070664	0.083441734	0.22506686	0.965956	-0.008513141	-0.067635626	-0.5582582	-0.33461064	0.50757515	-0.53071225	0.07755176	-0.12963864	0.995504	-0.74223125	0.040121492	-0.9871466	0.039225463	-0.11485166	-0.038960308	0.09374455	-0.121701345	0.504741	-0.40872073	-0.6423726	0.044879165	-0.5723659	-0.18179683	-0.10357446	0.28407028	0.10967428	0.37574935	-0.51708424	-0.1336923	0.14065525	0.08928006	0.593684	-0.9386105	-0.59902084	-0.49521887	-0.7025693	0.15092577	0.32324725	0.4016143	-0.39911154	-0.060583528	0.12209755	0.16236316	0.39474484	-0.121706806	0.44938967	-0.7765108	-0.038374037	-0.7511455	-0.004995563	-0.48235697	-0.5470149	0.15563786	0.7368903	-0.4966623	0.40352118	0.000772808	0.5563659	0.8296451	0.01606068	-0.99138314	-0.26430646	0.25744176	0.28127828	-0.023151906	0.4131084	0.2570623	0.33818668	0.30135623	-0.03814267	0.3516633	-0.23331338	0.053716674	0.7097574	-0.001095835	-0.91986704	-0.096388854	-0.43605635	-0.3491039	0.27861592	-0.7647025	0.07176777	-0.34328	0.07255269	-0.4146012	0.03112267	-0.06717736	0.20282863	0.07997577	-0.40114623	0.5678643	-0.95398897	0.3546572	0.15940456	-0.68380606	-0.4508262	-0.19343676	-0.013998157	0.20038654	-0.3580459	0.33642757	0.258745	-0.998918	-0.24905232	-0.6460754	0.19346794	-0.36832505	-0.11450903	-0.47846103	0.2770401	0.63901174	-0.3287334	0.13631916	-0.07204998	0.04542061	0.6898967	-0.021683315	0.102302834	0.57952017	-0.14599788	-0.090846635	-0.4304279	0.749983	0.6601705	-0.060318537	-0.5389392	-0.66194355	-0.08763538	0.24449293	0.23425342	-0.41575006	0.46379632	0.99944496	-0.44650298	-0.5913737	-0.29520008	-0.48706034	-0.5544649	0.18293002	0.440953	-0.53425264	-0.12827526	0.9990616	-0.35714215	0.95362675	0.30350646	-0.5380107	0.9995798	-0.88159084	-0.18556747	0.40973443	0.18839425	-0.21103697	-0.4118313	-0.358659	0.43695056	0.8559808	0.9661908	0.5041743	-0.6860035	0.35708296	0.063993126	-0.5163964	0.5969513	0.14669247	-0.24029127	-0.71014094	0.511327	0.02734316	-0.9741078	0.3195223	0.3947382	0.75808716	0.4325209	-0.35106108	0.08335195	-0.0216229	-0.57955074	-0.7617148	-0.26180354	0.17455353	-0.078120075	-0.000805028	0.3157043	-0.13133132	-0.34449434	-0.68694234	-0.51228875	0.52654374	-0.38938683	-0.054000072	-0.18122385	0.19269788	0.48986864	-0.3727474	-0.25368935	0.24934654	-0.3511538	0.003140744	0.36630797	0.6688516	-0.9916582	-0.24197064	0.26385337	0.2509419	0.4629222	0.16389248	-0.093394436	0.9994537	-0.4197001	0.040811304	0.021426542	0.40061024	-0.49041963	0.38869724	-0.4299583	0.42698276	0.52257705	0.76477534	0.3542248	0.24616647	-0.4464992	0.14002757	0.52745914	0.21040046	0.5473473	1	0.20357282	-0.5585936	-0.27078512	0.39369038	-0.81056	-0.20000996	-0.5416042	-0.34097534	0.061883435	0.70732063	-0.4259052	-0.26468372	-0.10237252	0.83262724	0.42328802	-0.20223372	-0.2813898	-0.42153832	0.49289185	-0.8192232	-0.33932385	-0.3909585	0.8757389	0.5112094	-0.32540548	-0.55109066	-0.49956545	0.73987526	-0.07480504	0.22244689	-0.05962897	-0.71941984	0.58349913	-0.51170766	0.40490547	0.1200899	-0.59311104	0.40183944	0.29128784	0.6537103	0.99995685	0.443041	-0.9836886	0.14192267	0.9998198	0.044893403	-0.42362404	-0.9994869	-0.72184944	0.5652507	0.6383218	-0.65366274	0.2067749	0.08754075	0.18087374	0.27839884	0.5284249	-0.1973419	-0.3276447	0.27972034	-0.025479725	0.09222926	-0.99998254	-0.9978581	-0.9920466	0.36947504	-0.16396357	-0.0479789	-0.6954935	-0.021959664	-0.8950851	-0.58454275	0.19344082	-0.6058404	-0.43656546	0.6359898	-0.23511218	0.67118776	0.47910866	-0.075266086	-0.17230378	-0.94530356	-0.999969	-0.6554856	-0.4201033	-0.34790477	-0.3578484	0.12471216	-0.78562135	-0.057260998	0.6132178	0.35590884	-0.581473	0.4814906	0.39215514	0.9381994	0.5655726	0.8272893	-0.16644984	-0.25821355	-0.7204259	0.10039833	0.1460358	-0.16726385	-0.07950783	0.41605338	0.8921182	0.5410809	-0.62221754	-0.82148397	-0.02549603	-0.5021445	-0.005123016	0.62928736	-0.39632362	0.17176355	-0.4997938	-0.15551764	-0.28281456	0.10777072	0.31027156	0.5677842	0.041362353	0.9998441	0.21876052	0.20930052	0.21383923	0.691025	-0.029057898	-0.52732027	-0.64059246	-0.64397305	0.058979254	0.3826415	0.7173836	0.6342718
186	0	N#Cc1cc(Br)c(O)c(Br)c1	-0.652376	0.2596434	0.25170043	0.24082755	0.0961209	-0.10955345	-0.19114602	0.064793296	0.15528779	-0.001111955	-0.5374731	-0.23096986	0.06424826	-0.6114537	0.48097673	-0.11481823	-0.314751	0.30242395	-0.17958245	0.15544268	0.44872096	-0.67975444	0.81476533	-0.20369373	-0.2786367	0.84593993	0.1347593	-0.057918847	0.60984945	-0.15345757	0.013033956	0.539748	0.34421661	0.17473613	0.14351882	-0.18866381	0.4609347	0.3496302	0.3492394	-0.9250254	-0.9962947	-0.53164124	0.42089036	-0.456543	0.5072254	-0.9952973	0.1613488	-0.11638807	0.83967364	-0.09575569	0.13982944	-0.019753292	-0.4464796	-0.24173036	-0.9231243	0.08562136	-0.7630778	0.8938707	0.16588666	0.21423948	0.1946105	-0.5663887	0.4543176	-0.16791497	-0.18013895	0.45197013	0.27334803	0.6217327	0.25150952	0.7310919	-0.30731612	-0.97514683	0.2012683	-0.05658727	0.6506297	0.12917484	0.49377614	-0.5108379	-0.3375138	-0.9966063	-0.6175336	-0.61431396	-0.9234351	0.45296127	-0.6836991	0.13244201	0.55365014	0.10076274	0.09716568	-0.60033625	0.23018155	-0.33536875	0.08409464	-0.18653688	0.9174251	0.12232783	0.3274164	0.18025488	-0.06825047	0.32895467	0.73415273	-0.5639716	0.3645745	-0.81989956	0.8946142	-0.3890857	-0.37646505	-0.4394473	-0.9804149	0.1811529	-0.818253	-0.6787213	-0.289531	0.5566108	0.6293134	0.21093073	0.47979656	-0.21666718	0.99968827	-0.60521823	0.05871226	-0.4085196	-0.16305888	0.19528405	-0.49371308	0.017417924	-0.33221686	0.6905358	-0.37902552	0.99706566	-0.32018283	-0.52076316	0.1759322	-0.49240765	-0.14573118	-0.6148227	0.40630063	0.05557815	-0.56911343	-0.37380168	-0.9990496	0.008845988	0.98950726	0.57276493	0.2797161	0.18866362	-0.31842652	0.20925897	0.995743	-0.12044714	0.06812528	-0.4447698	-0.36131358	0.38045785	0.45499727	-0.17122707	-0.026956975	0.9991611	-0.4452221	-0.66739815	-0.9921162	0.01704366	0.48160574	-0.38736963	0.4926138	0.2513683	-0.06556619	-0.42124987	-0.22875562	0.16903007	-0.69544065	-0.17903602	-0.011412932	0.09480426	0.43980092	-0.9495194	-0.869218	0.044494305	-0.4648658	-0.06812885	0.5794918	-0.4178756	-0.34930205	-0.029906243	-0.81426316	0.025287513	0.5737143	-0.017279461	-0.23990355	-0.5313963	0.8918822	-0.026701378	0.16881967	-0.11107849	0.17639023	-0.19876073	0.5632576	0.26758146	0.041205138	0.004833386	-0.8305213	0.25737238	-0.096799396	-0.41698724	0.12816435	-0.36078477	0.4564137	0.3907222	0.49991006	-0.89701724	0.4171239	0.1268454	0.37003496	-0.40142822	0.097632356	0.26221702	0.22676274	-0.08158533	-0.5517446	0.23712668	-0.18374856	-0.2814512	-0.015729873	-0.20900895	0.99949497	0.30970603	-0.15832037	0.28597945	0.17177151	-0.4494822	-0.40620998	0.025144614	0.66652006	-0.5044674	0.019307276	-0.7354681	-0.15559861	-0.13169643	0.23407555	0.054251157	0.9004807	0.37451777	0.1291815	0.06329587	0.58550507	-0.02440831	0.66516167	0.5345278	-0.32617116	-0.23221523	-0.24682373	-0.9989172	-0.4278547	0.40813828	-0.64628035	-0.3397562	0.60312814	0.010012869	-0.11221236	0.59456956	-0.7700789	0.6323384	-0.18352015	-0.5331741	0.81283575	-0.40646565	0.55294424	0.42525017	-0.437205	0.47299713	-0.16465926	-0.052524608	0.32777092	0.43076432	-0.42381385	0.83385515	-0.41557008	0.42821974	0.27073604	0.26102313	0.5495484	0.99950564	0.013637166	0.65040636	-0.23336332	-0.27184078	-0.52136415	-0.08874152	0.3280536	0.17359117	0.37861717	0.99963087	-0.2939337	0.90429926	0.21234989	0.20327267	0.999041	-0.9320135	-0.25426635	0.3288448	0.00935515	0.02288825	-0.23201694	-0.00017282	0.4180674	-0.21894978	0.9971401	0.35145232	-0.81676626	0.1155461	0.409905	0.32217452	0.31099147	-0.20850019	0.75578403	0.4565917	0.007995945	0.051088393	-0.977864	0.29632425	0.51379806	0.08204523	0.013291298	-0.48020598	-0.18883592	-0.23397882	0.5541379	-0.93959004	0.010754578	0.21150613	-0.590899	-0.37469384	0.26945153	0.18103625	-0.11086547	0.022686932	-0.003134525	-0.7536047	0.18021807	0.25553408	0.11038226	-0.22471248	-0.2207067	-0.26808637	-0.45497715	0.024915136	-0.40068442	-0.19918136	-0.38197914	0.9233989	-0.995606	-0.4863051	-0.4068766	-0.18103568	-0.108069256	0.49154896	0.0235034	0.996598	-0.12887011	0.48854396	0.1664249	0.6537152	0.46113476	0.3440175	-0.71342033	-0.008226985	-0.41571718	0.35585898	-0.26986372	0.43840718	0.23038788	0.6461525	0.62665296	0.9128277	0.2357034	1	0.46587285	-0.25922793	-0.23524936	-0.16196962	-0.94784987	0.028586505	-0.573943	-0.5304511	-0.24446145	-0.11910862	0.06718166	0.47887582	-0.44137567	0.8443787	0.15638976	0.49983898	0.1090916	0.50803065	-0.058081537	-0.3650391	0.25103247	0.63041776	0.9030693	0.35042092	-0.90255123	-0.6064174	-0.49668038	0.48094037	-0.53555137	0.027653387	-0.31256485	0.04192447	0.3099506	-0.482027	0.56275946	0.21816817	-0.4483286	-0.25767592	0.2998305	0.5342285	0.99996465	0.29707405	-0.9904248	0.39560062	0.9993044	-0.7800205	0.08210088	-0.9984993	-0.43295044	0.70935917	0.57611644	0.416997	-0.5948395	-0.26918995	0.4403707	-0.12036024	0.4106504	0.15848197	-0.57618755	-0.28222102	0.60545033	-0.21821149	-0.99997354	-0.9992434	-0.9975833	-0.16922213	-0.10556975	-0.4863719	-0.038858607	-0.28740355	-0.81450486	-0.22658077	-0.1425187	0.32308608	-0.8346899	0.11468445	0.251884	0.17575994	0.5882076	-0.38347325	-0.4764581	-0.98922443	-0.9999594	-0.18150227	0.026817057	0.03035646	-0.08800194	0.19830848	-0.95819026	0.6120402	-0.18564829	-0.046367306	-0.26257017	0.4586627	-0.21367162	0.9450055	0.032834604	0.66250116	-0.16350648	0.38609415	-0.4529365	-0.40073562	-0.34539014	0.08346264	-0.57405365	0.14643745	0.5322295	-0.18421996	-0.14217673	-0.7489524	0.39373276	-0.04928071	-0.2781323	0.6934777	-0.35300854	0.4431322	-0.046656426	-0.87772804	0.20402327	0.16621831	-0.49390343	0.4200555	0.25507322	0.99956876	0.1361349	-0.16948041	0.065437436	0.4616518	0.31438217	-0.12625504	0.52506745	-0.539779	0.35761362	0.71667343	0.64585376	-0.3760842
187	0	O=[N+]([O-])C(Br)(CO)CO	-0.3409867	-0.52415603	-0.10410304	-0.04694574	0.07673876	0.2925397	-0.46204418	-0.02176442	0.20526041	-0.099207595	0.60119367	0.58438575	0.22448736	0.23689276	0.6375175	0.021235451	-0.2775446	0.38525623	0.35756055	0.56997657	0.47032222	-0.6458942	-0.42654005	-0.10241067	-0.16415554	0.034365065	0.23665258	0.43870354	0.6681429	-0.49462393	0.42289624	0.3083484	0.1301425	0.28452024	0.5786515	-0.057068504	0.5255835	0.5846986	-0.49851838	-0.5840479	-0.89566225	0.5034849	0.0854468	0.18844526	-0.1469771	-0.99748266	0.29808068	0.36727193	0.9718867	0.43314204	-0.26585585	0.020958178	-0.3012789	-0.13849719	-0.91373235	-0.33879212	-0.2520897	0.94149005	-0.7063019	0.5682961	-0.30835992	-0.5554357	-0.3182905	-0.00955719	-0.51114786	0.60309166	0.88085634	0.056840036	-0.895366	0.04090884	-0.11827576	-0.9999042	0.70108986	0.89676225	-0.53962815	0.40166536	0.6912588	0.191291	0.20446952	-0.9998589	-0.5442729	-0.14338014	-0.63281363	-0.7179073	0.22976142	0.9777904	0.041410834	-0.19503936	-0.7617728	-0.34996465	0.18919396	0.27786657	-0.45861432	-0.12070562	0.98691577	0.745497	-0.8206817	-0.2334067	-0.16831867	-0.1494605	0.58844703	-0.15352501	-0.5281292	-0.83951473	0.9568556	-0.50617296	-0.27288896	-0.71326363	-0.9992582	-0.26999465	0.07234212	-0.15512896	-0.6598455	-0.044122495	0.23454152	-0.035211165	0.800645	-0.53867614	0.9997952	-0.36785662	0.2701931	-0.064530976	0.513118	-0.12846129	0.3090346	-0.73948514	-0.6095555	-0.17820936	0.68221724	0.9199352	0.37658802	0.15864858	0.2765907	-0.038073402	0.40706626	0.72387654	0.30725217	-0.068100855	-0.020485846	0.024308559	0.9958942	-0.6674558	0.9014125	-0.32854992	0.34757063	0.616664	0.30755347	-0.12744246	0.995372	-0.16850938	0.15965064	-0.7018335	-0.34959558	-0.2522515	-0.09679313	-0.46881527	0.28123614	0.99957037	-0.42437887	-0.46986172	-0.9960188	-0.22986351	-0.11014173	0.16610962	0.093330465	0.6607469	-0.46945587	0.69467205	-0.46754086	0.07746099	-0.75166035	0.098213	-0.5526804	0.4867593	0.09679873	-0.88133985	-0.56996286	0.042648707	0.036758468	-0.13544379	0.032480422	-0.9973698	-0.29233834	-0.60488915	0.2050093	0.1757997	-0.53474605	0.7945714	-0.21760051	0.6063189	0.80992895	0.32262474	0.37200856	-0.5152262	-0.41084662	-0.75023764	0.28523368	0.9597629	-0.5389536	-0.07593101	-0.52859324	-0.15309894	0.20960882	-0.67647517	-0.34700269	0.25560525	0.42929947	0.87966406	-0.40972805	-0.83355683	-0.35726112	-0.021837603	0.04336311	0.12002707	0.19380607	0.43097666	0.22968574	-0.47929382	0.19295846	-0.7088001	-0.21417856	0.08134794	0.8527822	0.8404609	0.99999624	-0.19588229	-0.42096895	-0.060815975	0.4953887	-0.2619697	-0.6589047	0.24791554	-0.4647938	-0.45426232	-0.6051961	-0.37435955	0.12460596	-0.20373538	-0.047678944	0.35759658	-0.10658102	0.3487921	-0.13009691	0.094354585	-0.74854994	0.24404201	0.19982572	-0.4562954	-0.21721502	-0.038258128	-0.07674804	-0.9997044	-0.006957933	0.2591506	0.1426217	0.1627886	0.24261902	0.38204467	0.3125794	0.11185091	-0.6968304	0.53592014	0.529033	0.23556426	-0.62248826	0.51812834	-0.2395537	0.84061086	-0.7967794	0.10503421	-0.6408844	0.93894595	0.6093358	0.6082944	-0.34836194	0.8398221	0.32855564	-0.3112135	0.25930327	-0.30694726	0.2895316	0.99930674	-0.7358111	0.3095791	-0.42123428	-0.44373354	-0.6381982	-0.9364778	-0.9162071	-0.38080263	0.77681357	0.9997969	0.007897439	0.85691583	0.71145797	-0.5199387	-0.99829435	0.4793574	-0.38268128	-0.065708615	0.4558208	0.6278801	0.01873159	0.6318909	-0.3569805	0.48164478	0.999174	-0.118643574	-0.50167894	0.34811068	0.16922176	-0.023052644	0.32851407	-0.11048926	-0.87990886	0.57327455	0.47828785	0.32836938	0.92363626	0.39898002	-0.14892106	-0.03146474	-0.274347	-0.14796028	-0.22779404	-0.5103709	0.18594694	0.07734095	-0.6147761	-0.08347325	-0.31962663	0.35097125	-0.8920415	0.7312723	0.32744822	-0.9753717	-0.42771456	-0.64853805	-0.63832396	-0.18336397	0.39526087	0.07739548	-0.06827092	0.31950057	-0.16041178	-0.1906625	0.34607142	-0.1425007	-0.077665895	0.9812918	-0.9824034	-0.5044466	0.37361416	0.02480132	0.06119589	0.45473304	-0.6750784	0.9975635	-0.41920483	0.9204279	-0.12725177	0.10159818	0.55473226	0.6087849	0.23879033	-0.065556034	-0.42061886	0.11065622	0.58089095	0.41503376	0.06257535	0.2619255	0.52263683	0.89791447	0.55676204	1	0.3369159	-0.6816275	0.028804317	-0.21956627	-0.92635393	0.042791158	0.046749335	-0.4374229	0.7888887	0.052500278	-0.52896106	-0.45968023	-0.69740677	0.23863971	-0.24404979	-0.2829271	0.19589375	0.49666137	-0.047905672	-0.82857394	0.21250068	0.8374691	0.82693166	0.5830927	0.01421837	-0.039585155	-0.28588337	-0.26007202	-0.12002713	0.5965537	-0.5755082	0.97202873	-0.4280931	0.37461984	0.31995037	0.6447651	0.30693805	0.36840993	0.66071296	-0.35415286	0.96150035	-0.24561588	-0.959254	0.008564015	0.99703455	-0.5387324	0.33806533	-0.9533767	-0.3461508	0.82578677	0.056093443	0.38041583	-0.6680034	0.046906833	-0.29212365	0.8844673	-0.43113673	-0.710622	-0.26354006	-0.49298558	-0.19017282	-0.16206479	-0.9999518	-1	-0.9990353	0.10590506	0.1596109	0.62238085	0.22448012	-0.30867648	-0.82143664	0.37510782	0.1914898	0.15707572	-0.2806367	0.4553158	-0.13030839	0.02595468	0.49965614	-0.31991586	-0.38689455	-0.9959198	-0.9999476	-0.31696045	0.14654103	-0.4846194	-0.266565	-0.09337497	0.47592545	0.021560477	-0.72388405	0.28349453	0.055999015	-0.0686939	0.053082418	-0.951741	0.39703628	0.79527336	-0.54309744	0.7916838	-0.1170155	-0.18849023	-0.63142765	0.017564457	-0.03242439	0.91500163	-0.9492307	-0.33880386	-0.6861392	-0.17738625	0.052726403	-0.70962644	0.04094537	0.51332283	-0.10827096	0.30339167	-0.027095865	-0.9724497	0.57744324	0.10099377	-0.3107426	0.13310128	0.11813316	0.9986939	-0.48790115	-0.6653674	0.16978897	-0.20816533	-0.47657984	0.612967	0.32055536	-0.59380746	-0.38816634	-0.48943496	0.6957723	0.22196344
188	1	CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C	-0.38765657	0.053361885	0.41163296	0.47089353	0.21932974	-0.12681569	0.006850911	0.38245377	-0.5924144	0.32104668	-0.66251415	-0.22008549	0.47983563	0.19441149	0.2339729	-0.22839703	-0.3870056	-0.14805387	0.4506221	0.48754	0.45488545	-0.37604332	-0.010080799	0.45064247	0.4493289	0.41526738	-0.34867662	0.74700296	0.19096981	0.5200598	0.1300351	0.015734132	0.10643306	-0.002932518	-0.30588987	0.69862723	0.8193771	0.5486019	0.9980013	-0.78167635	-0.97253764	0.115869574	0.42647904	0.45494404	-0.11966636	-0.6855413	0.055336874	-0.44497913	0.89770967	-0.14436716	-0.1137793	-0.15367891	-0.2098224	-0.4988601	-0.19634403	0.07210959	-0.47078982	-0.30233833	-0.031685494	-0.14691988	0.18488114	0.25150687	0.4853253	0.41671264	0.04624194	0.60835314	-0.05933144	0.50499696	0.22493225	0.013918893	-0.7405867	-0.7882756	-0.48343834	0.36099	0.59979874	-0.5805323	0.6786338	-0.5988382	0.42776927	-0.999778	0.116422296	-0.14586934	-0.8480945	-0.2698235	-0.4168389	-0.7860345	0.1490156	-0.19582798	-0.21468344	0.038156185	-0.60993344	-0.5484544	-0.39378634	0.68186456	0.99380714	0.19404931	0.2249905	-0.43845642	0.39915884	-0.75655025	-0.12244197	-0.5446107	0.25429842	0.49696046	-0.98387843	-0.18604586	0.17069672	0.05607025	0.97618186	0.2122933	-0.34954405	-0.13140902	-0.38717926	-0.20560274	-0.32795063	0.092898466	-0.520649	0.673401	0.9949415	-0.8142207	-0.3462241	-0.024079086	0.45481986	-0.30621246	-0.6414947	-0.53059167	0.52213675	-0.06300858	0.50332123	0.99970746	0.5688203	-0.31018916	-0.18932366	-0.003496658	0.029112548	-0.99134624	-0.31198728	0.55535334	-0.51218265	-0.6796146	-0.99972534	0.80213195	0.9205155	-0.3039596	-0.60799044	-0.10754002	0.2520802	-0.12852359	-0.6999355	-0.46301308	-0.46638092	-0.33107668	0.18286858	0.5419419	-0.31775108	-0.54879695	-0.7135768	0.6413303	-0.68065023	-0.7797736	-0.8168833	0.27769136	-0.38561335	-0.345586	0.28142643	-0.7460537	0.5947338	0.18785146	-0.5670009	0.7908203	-0.06387118	0.031749863	0.3905738	0.7923421	-0.22927628	-0.9409839	-0.6588816	0.5224636	-0.15456636	-0.13206114	0.17583618	-0.40400854	-0.09501202	-0.045080878	-0.24394809	0.15939617	0.8142242	0.1491805	-0.048124287	-0.78264695	-0.77592933	0.44270194	0.21215938	0.8935909	-0.64915335	-0.35627538	0.72936183	-0.80787706	0.5808593	-0.12465511	0.25453106	-0.31190154	-0.37273073	-0.7074678	-0.36905947	0.38602483	-0.070472576	0.065505214	0.56018615	-0.9998903	-0.6197012	0.73021835	-0.538528	0.103539966	0.5433047	0.09213998	-0.18693744	-0.40248913	-0.38120824	-0.4274294	0.8033786	-0.11171751	-0.8196625	-0.32269087	-0.95563227	-0.18755147	-0.31679472	-0.5355597	-0.2594962	0.8535302	-0.5241458	-0.5024368	0.6321735	-0.6703829	0.41218638	-0.383527	0.12845542	0.011552168	0.12966043	0.048401743	0.81172854	0.50112295	-0.072212055	-0.62222505	-0.09229134	-0.5812232	0.1183133	0.34912896	-0.51115686	-0.5539601	0.68417877	-0.9717854	-0.58481044	-0.3792999	0.850975	-0.8059165	-0.47531036	0.06359836	0.20368257	-0.13164721	0.20838907	0.40438464	-0.17553137	0.32313508	-0.4219785	0.32477617	-0.034358818	0.7054426	0.76006985	-0.50322855	-0.14498714	0.9943806	0.50415605	0.48488647	0.027583024	-0.33771506	0.8002232	-0.7678513	-0.848954	-0.63154656	-0.11424166	0.9970619	0.30437002	-0.5595808	0.19496591	-0.407283	-0.49086192	0.9182155	0.8693827	0.30891177	0.3699807	0.967441	0.12704054	0.78864413	0.40119234	-0.28840435	0.9999607	-0.9858229	0.3061473	0.29241845	-0.09483875	0.18646526	-0.060898084	-0.9382571	-0.60878783	0.69941556	-0.6935097	0.22521925	0.39728025	-0.040572084	-0.2800927	-0.06729489	-0.197105	0.110289164	0.60487247	-0.7315263	0.7361888	-0.11228124	-0.999947	0.182487	-0.31412622	0.13290864	0.29234347	-0.5776788	0.07065307	0.3717189	-0.8312081	-0.8984717	-0.4400273	-0.40761697	-0.003139061	0.52679116	0.48400682	0.1983445	-0.04942288	0.6532409	-0.5333733	-0.020370424	-0.51613635	-0.11698137	0.311038	0.45647398	0.30980134	0.26816955	0.07252764	0.019835955	0.05951295	-0.2246413	0.08813672	-0.71656567	-0.9456916	0.17000858	0.38044214	0.5362368	0.20710911	0.34320632	0.001738894	0.9998938	-0.7724125	-0.46523276	-0.27554846	-0.56959224	-0.84039307	0.10114007	-0.6554185	-0.15559775	0.059235234	0.18563356	-0.5042651	0.61273056	-0.55905026	-0.43690914	-0.003583598	-0.6125484	0.22483873	0.99708176	-0.1881725	-0.13379087	-0.5649652	0.23785932	-0.39754045	0.27772054	0.12750942	0.2846177	-0.37038285	0.069301195	-0.55159116	0.5528599	0.56893563	-0.5102071	0.2977793	0.17078993	0.64563864	0.30495286	-0.006928135	-0.67856246	-0.5658846	-0.70298994	0.70958805	-0.83413815	0.034583606	0.20118527	0.23316178	0.7225885	-0.41121548	0.3089696	-0.4681286	-0.38747442	0.2558305	-0.0533719	0.62410027	0.25394285	-0.295862	0.6368738	-0.565301	0.54274964	0.9999999	0.25780973	-0.980622	0.5135802	0.9997654	-0.52919245	-0.16203813	-0.9998484	0.057812497	-0.6312436	0.38635582	0.21108118	-0.33289096	0.13372117	0.064013496	-0.10321152	0.5605979	0.30667657	0.040586423	0.26751095	0.16944036	-0.380877	-0.9999508	0.98268694	-0.80077803	-0.22783658	0.012537538	-0.7417611	-0.6763855	0.34078562	-0.6605418	0.45019627	0.093580276	0.38462695	-0.31315514	0.23205772	-0.31499287	-0.34503648	0.61556756	0.2769833	0.030161522	0.30265796	-0.9998195	-0.057938494	0.10175765	-0.43419418	-0.32830223	-0.0776371	-0.9506426	0.23338075	0.512293	0.29846185	-0.22585097	0.19356962	0.34823406	0.78454137	0.32112357	-0.16045147	0.4390321	-0.3758029	0.22299129	-0.37788847	0.74262404	0.28589496	-0.09213796	-0.45492426	-0.97402287	-0.5219317	0.07573473	-0.19201733	0.35360995	-0.6729786	0.46814427	-0.447197	0.297856	0.15942053	0.4502489	0.9833855	-0.1317021	0.70849687	0.023956187	-0.34670547	0.2005316	0.9996254	0.4382256	0.32473385	0.3214626	-0.37468693	-0.18907753	0.23613575	-0.99465597	-0.21521114	0.35166565	0.07748252	0.30969402	0.78790206
189	1	CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC	-0.8082771	0.23494978	0.17327791	-0.50134367	0.47438177	0.87243956	-0.14151795	0.06389338	0.46247667	0.30065483	-0.61780983	0.0895496	-0.054004766	-0.089528054	0.5631679	-0.31320268	0.49263206	-0.021564798	0.859391	0.33436525	0.37412694	0.10353762	-0.2911042	0.50590837	0.24818465	-0.15379483	-0.11758912	-0.14548416	0.18352036	-0.1871898	-0.0994052	-0.536204	-0.4766843	0.08028508	-0.32327977	-0.036490966	0.57602334	0.26541623	0.9957009	-0.43754664	-0.7364105	-0.45127568	-0.59727573	0.48722848	-0.41045836	-0.86921126	-0.63245714	0.2758218	0.9961362	0.58345807	0.004785497	-0.4858116	-0.07204084	-0.30760056	-0.82298857	0.28835717	0.32661158	0.35932684	-0.013202515	-0.14279436	0.13840309	0.69958127	0.3566066	0.31259766	-0.62408406	0.52456236	-0.36039984	-0.34276438	0.6275298	-0.43974283	-0.48676482	-0.71938926	-0.33070198	-0.056247357	0.9299617	-0.60866404	0.18439259	-0.097519584	-0.061436884	-0.9995876	0.16308887	0.020862512	-0.9621783	-0.32379693	0.15060347	-0.8230793	0.6906774	-0.3013924	0.21608734	0.3993573	0.35625374	-0.29048198	-0.24330865	0.039377026	0.9890048	-0.20063573	0.47302893	0.7165042	0.46983317	-0.030393695	-0.64321357	0.26788247	-0.48479286	0.04545988	-0.9338622	-0.04909428	0.3073431	-0.33071086	0.9665027	-0.5436336	0.33677176	0.6760027	-0.23336479	0.32511327	-0.6313109	0.5270311	-0.3710947	0.6401149	0.9955018	-0.7426546	-0.015363891	0.2308379	0.5046964	-0.36818	0.33824873	0.3659704	0.73936343	-0.23169044	0.03783322	0.99984884	0.7291479	0.49279624	0.12045395	-0.4485743	-0.062297463	-0.9779168	0.5279826	-0.33826706	-0.64548576	-0.84586287	-0.9990215	0.23225743	0.96529794	-0.095087424	0.24041887	0.5366129	-0.020462267	-0.30870393	-0.47201818	0.2905062	-0.70239013	-0.47821647	0.7037434	0.3629749	-0.11953085	0.6858179	0.05707246	0.7543714	-0.84373647	-0.9560884	-0.85438573	0.2746991	-0.047266763	0.37018	0.15096842	0.8492756	0.27492225	-0.56867105	-0.06749722	0.22400118	-0.16340084	0.2630995	-0.5958382	0.33765763	-0.34178486	-0.8901533	-0.657267	0.2575157	0.02013361	0.38006055	0.13583411	-0.22999251	-0.71857786	-0.8184263	0.012297948	-0.6721857	-0.83149093	-0.031800885	0.016950004	-0.40504292	-0.61365706	-0.84205836	0.5334331	0.56580234	-0.6036476	0.38508162	0.3117812	-0.8021336	0.5615937	-0.014809975	0.6568182	-0.1442697	0.6482573	-0.695368	0.08869963	-0.070587255	-0.14341941	-0.43582222	-0.2268948	-0.99988735	-0.21162428	-0.7306661	0.4447484	-0.35011643	-0.13122217	-0.6393392	-0.6419872	-0.6195548	-0.39380494	-0.38283154	-0.11164269	0.4158023	-0.59368104	0.24098128	-0.9949452	-0.13485731	0.4536846	-0.004343057	-0.046598163	0.14146982	-0.041467246	-0.2425171	0.558944	-0.5660033	0.20159528	0.16429038	0.10014033	-0.05242884	-0.37300885	-0.64608353	0.6726674	-0.23523384	-0.12437904	-0.18091767	-0.34252277	-0.33677092	-0.24708919	-0.56764764	-0.58327204	-0.037055932	0.7727469	-0.99804866	-0.012488805	0.64028394	0.27201384	-0.12105203	0.6099879	0.19623375	-0.48764986	0.3314296	0.088193014	-0.6678808	-0.27379695	-0.10922361	-0.34903064	0.38918746	-0.6007416	-0.46533024	0.98363835	-0.18093172	0.76225305	0.9991471	-0.029905627	0.2027729	0.40913543	-0.8879044	-0.36398655	-0.37472516	-0.89103717	0.6790723	-0.4517414	0.9967993	0.2682471	-0.7617105	-0.008363502	0.12240819	0.30382666	0.9068853	0.8811444	0.7359072	0.21096095	0.9787833	-0.4201882	0.9335202	-0.26665744	-0.8572119	0.99801165	-0.99337846	-0.34002033	-0.17387576	0.50010103	0.69297665	0.15876839	-0.34121063	-0.1875424	-0.77130705	-0.66022444	-0.15541703	0.3856786	0.16513999	-0.6976074	-0.5250612	0.33524755	0.39979464	0.49845383	-0.41520047	0.17495984	-0.73177046	-0.99992836	-0.57240397	-0.6826291	0.04621051	0.21662222	-0.7165987	0.2578266	-0.5026002	0.45715144	-0.81743336	-0.26171437	0.38838622	-0.18216988	0.6109661	-0.59768194	0.6791926	0.09000661	0.7572405	0.28793964	0.3590002	0.29591876	0.35198835	-0.6155254	0.2653158	0.6695863	0.10934203	-0.02671095	-0.41757458	-0.48563617	0.5079674	0.007263543	-0.27259564	-0.9651051	0.12287045	0.528338	-0.1909009	0.8746798	0.06349424	-0.6140599	0.99974245	-0.3389903	-0.12178172	-0.02114533	0.05344647	-0.42368162	0.33902004	-0.89644504	0.28325248	0.3762204	0.018825563	0.12634988	-0.3862765	0.11161489	-0.329625	-0.2872635	0.1284628	0.564608	1	-0.67989284	-0.05726872	0.5454432	0.69974256	-0.08250394	0.94043845	-0.053416006	-0.152709	0.5950511	-0.21287294	0.039902773	0.58496535	0.03878942	0.15168951	-0.118977085	-0.006465596	0.2926995	-0.40026152	0.27132913	-0.93273324	0.52727854	-0.8944999	0.64221364	-0.6428388	-0.5191466	0.77219826	0.2844364	-0.2231778	0.15039654	-0.045853265	0.07741981	-0.7745363	0.75571036	-0.2249911	-0.017994054	0.08989604	-0.037593715	0.43831176	-0.1934624	-0.55609965	0.9999998	-0.39224383	-0.9565584	0.47548392	0.9995322	-0.59471375	-0.69454825	-0.99992794	0.101675406	-0.47655135	0.3473639	-0.006756519	0.6906926	0.32654953	0.7792787	-0.75189173	0.20066288	-0.07503398	-0.17092322	0.7005647	0.69377977	0.013193772	-0.99991035	-0.9977191	-0.85838383	0.43410265	-0.06202416	-0.8147965	-0.47245413	-0.5515455	-0.41973078	-0.51942796	0.03317971	0.2913937	-0.64489555	0.42129758	-0.1701329	0.23177792	-0.10925816	0.24733315	-0.44168544	-0.08916059	-0.99953777	-0.45089382	0.30879155	-0.011866971	0.57226133	0.5675342	-0.976938	-0.37954926	0.28634545	-0.22862929	-0.7947244	-0.089799486	0.66626364	0.9773474	-0.51043075	-0.6125067	0.06961735	0.8384181	-0.54846674	-0.19709226	-0.6727577	0.16154997	-0.37614194	-0.7762107	-0.8707262	0.37128243	-0.5442598	-0.20375763	0.12919314	-0.21244377	0.14981988	0.6875727	0.15029578	-0.19299194	-0.39401588	0.9838569	-0.43480945	0.08513309	0.46173263	-0.5110167	0.60242784	0.9998339	0.5175007	-0.2304065	0.32819903	-0.19491225	0.18714951	0.26694864	-0.99245054	-0.35508412	0.52949244	0.29553136	0.093066104	0.66007674
190	0	C=CCOC(=O)C(C)(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl	0.95443517	-0.07616007	-0.55435824	-0.17244044	-0.18672511	-0.24577619	-0.3477311	0.048623584	-0.3504088	0.15894452	0.775832	-0.14338702	-0.51911443	0.7626339	0.27611884	-0.6073286	0.55032116	-0.33302444	0.028364658	-0.14430556	-0.290577	0.5578446	0.06815238	-0.3842408	-0.5851621	0.41498944	0.35579574	0.38058552	-0.35056275	0.07873598	-0.42868623	-0.083376296	0.7437439	-0.046477113	0.27442804	0.54781944	-0.12388383	0.71361035	0.99986947	0.8182452	-0.17146434	0.46923846	-0.07318048	-0.09444833	-0.30676395	0.96056986	0.14801376	0.105691664	0.9042453	0.617675	-0.037456363	0.5320698	-0.7349607	-0.011281395	0.34304267	0.23580801	-0.2699974	-0.98984206	-0.36712837	-0.5432229	0.53374493	-0.05527976	0.2850646	0.25113213	-0.10247317	0.59472966	0.36947054	0.072040886	-0.34674263	0.3757269	-0.8666961	-0.97659004	-0.38224882	-0.66491693	0.24658538	-0.07143385	0.36944366	0.41322803	-0.16853409	-0.9999189	0.42301112	0.5962375	-0.973047	-0.5514069	-0.681116	-0.4771537	0.095097825	-0.1672851	0.1811877	0.3881032	-0.6233013	0.03478183	-0.62374425	0.36217862	0.9999571	-0.0576308	-0.5708237	-0.7719821	-0.7270056	0.7695006	-0.39617437	0.26741907	0.541562	0.459316	-0.9999074	-0.91396636	-0.3613721	0.564732	0.97819835	0.5174433	0.29570255	-0.18517162	-0.28966618	-0.37876955	-0.2925208	0.5566325	0.418044	-0.28122383	0.43557522	-0.29641047	0.09206168	-0.18262659	0.36680958	0.11218672	0.019588867	0.36355823	0.56860745	0.012181461	-0.018384425	0.99554724	-0.43371263	-0.24267742	0.21190323	-0.33419886	-0.62617576	-0.9850677	-0.40423185	-0.5488105	-0.63552535	-0.59470487	-0.9998545	0.25836825	-0.7447435	0.73012114	0.030144112	0.020038541	0.8544234	0.1571071	-0.9997244	0.24109578	-0.59849346	-0.6175516	-0.3779065	-0.34358922	-0.84340537	0.31337875	0.72181255	-0.993779	-0.83561516	-0.9273384	0.7037957	-0.34845382	-0.4048379	0.46713912	-0.73437196	0.15733892	0.5664535	0.5348385	0.5663538	0.10770332	-0.15607245	0.18312605	-0.11384123	-0.7908712	-0.14646512	0.09602312	-0.24951309	0.18797912	0.21419421	0.89548826	-0.07939757	-0.99669296	-0.5394723	-0.8103451	0.961126	0.5107722	0.3794697	0.7623254	0.25557837	-0.7656203	-0.608717	-0.15269975	-0.42433545	-0.50332665	0.82967395	-0.27920783	-0.033686582	-0.9630169	-0.023925353	-0.6984168	-0.49068385	-0.5086767	0.11459175	0.025531247	0.26425585	-0.4232212	0.49961835	0.5987788	-0.5797121	-0.99992514	-0.6542321	-0.20225592	0.7127777	0.3300169	-0.264266	0.7731271	0.40636423	-0.4120665	0.03759194	0.1910769	0.08796171	-0.37415147	0.66757375	-0.039328355	-0.9481642	-0.06796214	0.17194274	0.23045723	-0.59323597	0.013567312	0.4301974	0.33743024	0.034030814	0.3092736	-0.048978157	0.24024369	-0.73345166	0.17032582	0.49521846	-0.21286792	0.9075588	-0.17024654	0.2544942	-0.18488492	-0.43264478	-0.30616733	-0.14427026	-0.5232963	0.07692909	0.14799912	0.29778975	-0.9626407	-0.19636576	0.25613874	-0.3235664	-0.46923143	-0.067368	0.77364504	0.23687875	-0.6756477	0.6115141	-0.3452649	-0.23480354	-0.61819535	0.16023715	0.3384044	0.36474153	0.49127173	0.9610261	-0.55979806	0.51447564	0.99892056	0.6827124	-0.41649753	-0.15860818	-0.7561266	0.029259507	0.020784257	-0.34617582	-0.5755294	-0.32157403	0.68188876	-0.7011102	-0.78752184	-0.48717517	-0.63838685	0.14472799	0.88741654	0.6115009	-0.39089003	0.48968816	-0.8311304	-0.84651834	0.76876557	-0.5110534	-0.43412694	0.99986124	-0.8149633	-0.29341924	-0.2849546	0.32212633	0.69377303	-0.44694585	0.6777495	-0.404019	-0.12393112	-0.9996392	-0.3330588	0.343907	0.61373687	0.5664578	0.5367276	0.37734643	-0.8446709	-0.8254169	0.1447535	-0.46161786	0.058727972	-0.9997523	0.2336628	-0.015091904	0.6100614	0.6236827	0.14725944	0.83160335	0.7553407	-0.690919	-0.31256032	-0.34917408	-0.103808716	-0.41734868	-0.5527977	-0.41240042	0.7981532	0.21808608	-0.53209406	0.48762554	0.35312086	-0.072551236	0.62987983	0.32322657	-0.5697176	0.31420967	-0.5702382	0.23449598	-0.16973385	-0.2627582	-0.07935269	0.04317388	-0.98839635	0.7112643	0.16557056	0.2829608	-0.51676416	0.22907136	0.1819201	0.006543287	0.99965215	0.16453989	0.19407147	-0.10066455	0.31756967	0.32091013	-0.18402496	-0.42130873	0.028374223	0.24436924	0.7961199	0.7379167	-0.37376317	-0.31440222	-0.2798593	0.52947646	-0.80983526	-0.106442824	0.96035045	-0.6883174	0.05414974	0.14708927	-0.06705003	0.11736841	-0.8225892	-0.11447294	-0.6044543	0.800382	-0.57896703	-0.07266415	-0.09777537	-0.48757574	0.6409171	0.44926995	-0.003880116	-0.4824657	-0.6373719	0.26434547	-0.9098813	0.08051413	0.049038403	-0.30494618	0.5933003	0.9967444	0.586218	-0.5715315	0.11635603	0.5038706	-0.46237165	-0.7892372	0.16502762	0.30780643	-0.55829346	-0.48227128	-0.08203069	-0.19042847	-0.21817756	0.2519539	0.8838172	0.9999988	-0.26578662	-0.97713906	-0.091712125	0.99985474	-0.6543812	-0.25558475	-0.99983615	-0.26996154	-0.9307219	0.6413791	-0.79525197	-0.08152521	-0.4515401	0.30432662	-0.028318789	-0.42627043	0.61893046	0.353952	-0.36144137	-0.46525195	0.06431801	-0.99941146	0.9979769	0.85972357	-0.0914437	-0.6882359	-0.30229455	0.59780127	-0.06537236	-0.6048541	-0.32253546	-0.0955268	0.8308587	-0.7646817	0.7296587	-0.47546005	-0.12343087	0.27793023	0.003076186	-0.32507902	0.9917031	-0.99020016	0.3177949	-0.55029327	0.032338895	0.13526578	0.098936334	0.822147	0.5487545	0.7047929	0.60479814	-0.046534166	0.41909686	0.07565551	0.9662523	0.03518995	0.6001878	-0.22458223	-0.57007	-0.5043409	0.5878114	-0.021586897	-0.5335551	0.35983416	0.64420784	-0.86369437	0.3691736	0.32422107	-0.5266341	-0.3356678	0.6394239	0.22227785	0.75208133	-0.15688916	0.70526385	0.2465288	0.9996483	0.12837031	-0.22068705	-0.39731348	0.34378493	0.1642466	0.99992996	0.564159	-0.6348505	-0.7509011	0.22064345	-0.3368484	0.21227933	-0.9991003	0.3642073	0.4259747	0.6909457	0.4700081	0.13132827
191	0	CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C	-0.8630272	-0.03253676	0.08734233	0.24121766	-0.019028556	-0.26290408	-0.52661	-0.30164623	0.31482944	-0.44156006	-0.75312203	-0.24157852	-0.23781037	0.27335414	0.2046528	-0.4887939	-0.37744012	-0.265289	-0.16502948	-0.17612258	0.2157741	-0.6534684	0.23314665	0.10195303	0.26250684	0.5990405	0.21718325	0.68486446	0.33205816	0.6007846	0.026967224	0.031433534	0.17701544	-0.50750995	-0.29639417	0.6620469	0.28021333	0.8382296	0.96465087	-0.67098224	-0.9980436	-0.32473773	0.097496554	-0.1351303	0.07828708	-0.9777488	0.19239888	-0.011426655	0.89396805	-0.1317298	0.044723637	-0.34211448	-0.66786706	-0.58450425	-0.6713437	0.36913148	-0.34190577	0.5444391	-0.21061076	-0.2024154	0.30729705	-0.123038456	0.56942296	-0.4879048	0.44375613	-0.06432461	0.32849032	0.16680698	-0.4172596	0.4721509	-0.11320663	-0.9433885	0.17161693	0.62000155	0.7833543	-0.5181232	0.17093281	-0.15062028	0.32916346	-0.99989015	0.00726228	0.06755189	-0.85578376	-0.5713517	0.47569478	-0.75013226	0.067785494	-0.08192976	-0.39895788	0.35593998	0.25659546	-0.33613533	-0.040962342	0.51341903	0.9389819	0.37045637	0.7459936	-0.16619112	0.39240712	-0.30142418	0.08501927	0.44490495	-0.2655385	0.6051787	-0.5689803	0.47123572	0.28402406	0.54200304	0.98929346	-0.38807037	0.32313812	-0.11187513	0.05035545	-0.5309461	-0.3954842	0.3937633	0.15679276	0.3894639	0.99838936	-0.70234656	0.30167168	-0.30007166	0.2047181	-0.069876745	-0.09965364	-0.084262036	0.11971589	-0.49611703	-0.061850514	0.9999051	-0.25409335	-0.25288403	0.4072594	-0.27618954	-0.06943422	-0.98442775	0.21356398	0.651582	-0.64543825	-0.7953616	-0.99227166	0.24091695	0.98606646	0.20542878	-0.34489486	0.30856282	0.39029843	-0.31487527	0.80106044	-0.09935546	-0.3882671	0.18956615	-0.05612554	0.74633676	-0.08605239	-0.4617175	-0.5134719	0.97766393	-0.7037909	-0.9012782	-0.96296245	0.33407152	-0.26478466	0.2045068	0.3254907	-0.031519927	0.6772064	0.62289786	-0.4308559	-0.22827192	-0.06697843	-0.3393081	0.1081552	0.30150947	-0.60717916	-0.9841043	-0.3874626	0.62013113	0.2084807	-0.3172653	0.10172526	-0.18635155	0.36139417	-0.11484603	-0.8173171	0.063156694	0.09772856	-0.43931615	0.016185746	-0.8100313	-0.78685606	-0.22371787	0.4365847	0.89878833	-0.41659918	-0.061035007	0.6322641	-0.9024545	0.52314085	0.014010387	0.15045793	-0.1454111	-0.32940438	-0.2674945	0.3154515	-0.3044377	0.45961073	-0.041040055	0.1446575	-0.9992974	-0.60263926	-0.36779636	0.37634873	-0.13451745	0.48519522	-0.052662946	0.020732446	-0.2915138	-0.45950374	-0.37121636	0.19094938	-0.45245254	-0.6566017	-0.64277804	-0.9448441	-0.35636538	0.38799793	-0.6504467	-0.24025388	0.39804637	0.0000182	0.040801786	0.6617594	-0.3090878	-0.2655725	-0.39958143	-0.35734516	0.34919035	-0.5232313	-0.105736464	0.85185975	0.1699745	-0.1526477	-0.6607882	-0.17138141	-0.012910601	0.2435793	0.22565822	0.31783155	-0.11545862	0.68700564	-0.998694	-0.24630019	0.65709674	0.48755366	-0.117015734	-0.63916	-0.23126008	0.56649756	-0.17810228	-0.12724884	0.5812831	-0.6987313	-0.06062117	0.6287665	-0.07886531	0.23592144	0.58423305	0.64061165	0.42055684	-0.19998005	-0.0229425	0.23019084	0.33005017	0.12666732	-0.14753555	0.11353484	-0.789509	-0.8906365	-0.7656546	0.58994514	0.99962395	0.08784702	-0.51831824	-0.37139985	0.25981382	-0.07605632	0.90888983	0.9731915	-0.015563178	0.5072013	0.9967845	0.31680432	0.70537376	-0.34117863	-0.5094422	0.9968345	-0.990797	0.2854802	-0.22411129	-0.013485725	0.018177526	-0.2005512	-0.92228603	-0.778802	-0.12357836	0.6776069	-0.33667272	0.72728443	0.09147301	-0.34703776	-0.59818256	-0.23627305	0.17343356	0.7647132	-0.5357709	0.62915903	-0.1481715	-0.99998623	-0.313544	-0.29167324	0.708786	0.03307086	0.12278031	-0.37072155	0.12566537	0.39426914	-0.9686676	0.14496584	0.20027588	-0.14999202	-0.3428988	-0.03923487	-0.12968694	-0.33885458	0.48112634	-0.27770773	-0.4390651	-0.41402823	0.43227467	-0.04284362	-0.19064333	0.43261126	0.49043304	-0.027770264	-0.21893129	-0.13006036	-0.045733497	-0.41507256	0.14694406	-0.9943949	0.16578926	0.18578531	0.15641263	0.049275916	-0.49641863	0.38659754	0.9998223	-0.47476423	-0.51653975	-0.3266147	-0.5294707	-0.6095583	0.54598445	-0.87208384	0.13855425	0.16651964	-0.3942649	-0.34283262	-0.3238685	-0.25012264	-0.049426958	-0.40604976	0.76544327	0.033547595	1	-0.20779298	-0.54979223	-0.5893534	-0.3920953	-0.5267264	0.4885208	-0.48631576	0.36849254	0.24259245	0.2167452	0.4847802	0.38572046	0.6263705	0.09540273	-0.18191348	-0.19519238	0.5143606	0.11787217	-0.41854683	-0.6755545	-0.45079187	-0.43773434	0.51014733	-0.4557694	-0.85333246	0.015952183	0.32016996	0.42263994	-0.6113633	-0.37627465	-0.52613574	-0.7143662	-0.21677753	-0.15221044	0.64535964	0.041745696	-0.0974433	0.36325136	-0.36104155	0.61215526	1.0000001	0.40211254	-0.98376286	0.20490223	0.99987364	-0.6699852	-0.68982303	-0.99994326	-0.10286471	-0.09110435	-0.292773	-0.036529865	-0.27783707	0.5980532	0.10375705	-0.23345356	0.4925905	0.21384633	-0.26410374	-0.06566915	0.3729157	-0.50196487	-0.99998045	-0.9986899	-0.93368936	0.16393931	-0.43351227	-0.42149514	-0.21760426	-0.5272317	-0.8760836	0.35480663	-0.096731655	0.49915278	-0.2869131	-0.21321382	0.39912355	0.18328588	0.27866143	0.021019766	0.28827503	-0.79760784	-0.9999594	-0.025086096	-0.08513534	-0.61537623	-0.32165352	0.25007847	-0.99166405	0.177662	0.5423117	-0.20627873	-0.34628052	0.551153	0.24395102	0.8254202	-0.24829638	0.7823053	0.030596942	-0.0943844	-0.1532075	-0.46650875	0.3200208	0.59627664	0.3108251	-0.5656631	0.50402737	-0.2468938	0.023774806	-0.28922975	0.004966617	-0.27343246	-0.28833193	0.5422919	0.001508265	-0.36439088	0.09209329	0.7285832	0.05803715	0.50763345	-0.08587008	-0.09793287	0.19066508	0.999707	0.2718014	0.14005904	0.51017183	-0.56511873	0.24415368	-0.032523226	-0.9287755	-0.090072334	0.48689783	0.35961345	0.8283252	0.30673793
192	0	CCCC(=O)O	-0.7401385	0.3090804	-0.8485569	0.49670678	0.23868906	0.089887366	-0.19303223	-0.26838827	-0.22334558	0.37826538	-0.4612836	-0.3944749	-0.5598336	-0.7012354	0.47944778	0.20728485	-0.12898584	0.014116006	0.054263063	-0.16834976	0.5924192	-0.8456746	0.29887468	-0.7164048	0.0319809	-0.00698174	0.31522185	-0.12972918	-0.027348952	-0.09190363	0.12593101	0.8132243	0.69938546	-0.21191727	0.23536354	-0.6868979	-0.17436972	0.45136607	-0.95792884	-0.5753725	-0.98846704	-0.759852	0.16559376	-0.068116024	0.08893117	-0.9853031	0.13271753	0.18718328	0.9651653	0.21292002	0.53597534	0.39305112	-0.04320828	0.46051356	-0.89984536	-0.42317745	0.60165155	0.9537612	0.31164387	-0.08856295	-0.5032707	-0.4640127	0.42138863	0.103655726	0.59242326	0.3028025	0.027512496	0.21911131	-0.12251137	-0.11321856	0.7482483	-0.99353844	-0.19758949	0.8583624	-0.29879573	0.7307593	-0.29399908	0.1676809	0.39509696	-0.99956876	-0.6225647	-0.2510929	-0.27614972	-0.28779608	0.63364553	0.90831894	0.7495539	0.19972351	0.2659589	-0.3814794	0.23958147	0.34313172	-0.3044853	-0.27304912	0.73304576	-0.39850792	-0.57318306	-0.07639323	0.4482812	-0.39288	-0.037680842	-0.24095969	0.19827373	-0.9143959	0.9882784	0.39100304	0.41971484	-0.26955602	-0.8743037	0.5398608	0.038009737	-0.4657715	0.27385187	-0.13331163	0.123021096	0.5732752	0.08718243	0.3675603	0.9894322	0.17412697	0.45544943	-0.34192565	-0.30350947	-0.086672775	-0.13716593	0.11038813	-0.23987931	-0.37651402	0.16153951	0.9941469	-0.02812469	-0.22855732	0.27939603	0.28657132	-0.11568609	0.10169732	0.046558477	-0.36776862	-0.33363166	-0.03839071	0.9991024	0.17679168	0.91366494	0.31099844	-0.21288434	0.20816223	0.5274219	0.4337952	0.99520475	0.60837245	-0.4290724	-0.5877834	0.29241276	-0.06343241	0.06497547	-0.27090946	0.030163817	0.9953597	0.32927772	-0.87645453	-0.9731956	0.25695395	-0.05739991	-0.116172224	-0.16058703	-0.059974466	0.2054908	0.46127737	-0.34737694	-0.05513255	-0.66462415	0.3154631	0.070153184	-0.25395453	0.5337054	-0.945696	-0.59685075	-0.38180947	-0.33698365	-0.36620134	0.077306755	-0.85924155	0.2501063	-0.00071251	-0.9191592	-0.14734502	0.21620089	0.45696798	-0.46722305	0.5353819	-0.11786915	0.64410573	-0.1297339	0.073203094	0.32784665	-0.5423595	0.57846826	-0.5952916	-0.37889957	0.014334996	-0.41676918	-0.27354744	0.000288568	-0.22968157	0.18462732	-0.054183174	-0.17894988	0.1457018	-0.51567143	0.9168855	-0.06489186	-0.17869057	0.15114199	-0.7355127	0.2061173	0.4779333	-0.51221365	-0.038548056	0.43679196	0.050799433	0.101569265	-0.1743045	0.41777182	0.09018182	0.99665415	-0.004511002	0.13489588	-0.004053048	0.02552631	-0.43566024	0.4061172	-0.664593	0.5656256	-0.23757191	0.34570408	-0.4479491	0.056576516	-0.19878228	0.21672936	-0.6163113	0.85089135	-0.05179402	-0.10950842	-0.55639344	0.22438897	-0.5615609	-0.0980688	0.38215593	-0.6937127	0.37952316	0.56711745	-0.998771	-0.4666617	-0.233051	-0.4417774	-0.2249589	-0.28285614	0.1397927	-0.1322839	-0.003564778	-0.43470132	0.73201084	-0.007944963	0.080989406	0.012688334	0.08248035	0.0041879	0.64701325	0.41796508	-0.06878518	-0.1791125	-0.98772424	-0.015896274	-0.19609	0.46144363	0.39735872	-0.22371726	-0.08906008	-0.052639082	0.8062772	-0.6034372	0.99475133	0.19900304	0.5185126	0.10901031	0.4851373	-0.5541928	-0.83716476	-0.40404978	0.0724245	0.13215563	0.99316126	-0.5606865	0.7340729	0.22089928	0.2891618	-0.99374855	-0.1754184	-0.004299513	0.01832183	-0.06574337	0.47393322	0.099465355	0.017051067	-0.010233491	-0.05317968	0.998836	0.4501432	-0.28092554	-0.000312717	-0.34292334	0.39308345	0.37056854	-0.02902823	0.21603353	0.21385737	0.20200454	-0.53921926	-0.9046309	-0.5458308	-0.6202225	0.24929903	-0.36815962	-0.5210713	-0.6057977	-0.4352366	0.50356174	-0.92104757	-0.20092547	-0.26979327	0.5360121	-0.20760822	0.4859915	0.42042238	0.07569323	-0.34983107	0.2277848	-0.24087396	-0.046075232	-0.022445386	0.61869746	0.024474304	0.20645611	0.7142222	0.22119384	0.48148125	0.23623393	0.34955713	0.51735306	0.9537071	-0.97603977	0.020037666	-0.07537426	-0.064469606	-0.16527782	-0.080965735	0.37855354	-0.5405744	-0.502526	-0.24460228	-0.26444253	0.24340601	0.16451703	0.042329907	-0.24144241	0.47808143	0.016537359	-0.7273855	-0.23163643	0.29748404	0.15358274	-0.5132526	-0.38538182	0.94662154	0.23986894	1	0.08804683	-0.017517662	0.30453232	-0.48686773	-0.9179824	-0.26245752	0.4986222	0.25093153	0.15948161	-0.41643435	0.3264574	0.31533822	0.2593858	-0.10940262	0.17465417	-0.37909135	-0.48693785	-0.4872681	-0.40503138	-0.08243397	0.3864189	0.4613679	0.56170565	0.85111827	-0.78522086	0.37574834	-0.386523	-0.46561006	-0.5158283	-0.08554903	-0.38682738	0.42682338	-0.29905003	-0.33331645	0.44210127	0.18363246	0.069218814	0.08526636	0.5854404	-0.028401379	0.9995613	-0.24188152	-0.28543898	-0.6039345	0.6858499	0.21959227	-0.29186752	-0.9942606	-0.402412	0.6865821	0.26801783	0.13729848	-0.12720472	-0.071038246	0.1431247	0.79551685	0.12695305	0.060453635	0.025890062	-0.025482656	-0.0425217	0.15546437	-0.99918723	-0.9999994	-0.9883608	-0.3923869	0.1077418	0.055823736	0.17812547	-0.05993719	-0.44378325	-0.051396023	0.46728873	-0.46172932	-0.047223754	-0.3789773	0.3860947	-0.20661639	-0.2927866	-0.25676697	-0.16953774	-0.98693705	-0.9989476	-0.58929545	-0.458024	0.4396052	0.53812164	0.077262186	-0.8216051	-0.42283803	-0.08202366	0.44214702	-0.05625318	-0.28022382	0.15148146	-0.90274394	0.6232936	0.8927123	0.23634857	-0.28743988	-0.19447991	-0.7788939	0.14874542	-0.21177925	-0.2660359	0.8127525	-0.51943487	-0.10968429	-0.7396486	0.49533185	-0.52994704	0.018085118	0.06169724	0.04663926	0.1692278	0.084736794	0.53371227	-0.9901607	-0.18406023	-0.37138057	0.07673094	0.42233896	0.14214584	0.99400365	-0.16096884	-0.21693756	-0.06580455	0.3891453	0.19819815	0.12964879	0.9661094	-0.5754569	-0.5443067	-0.15581612	0.89377534	-0.016930357
193	0	CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]	-0.2820421	0.17630269	-0.13279893	-0.39092705	-0.27395594	-0.73092186	-0.52853143	0.48697463	0.48529786	-0.09727952	-0.74699634	0.6211614	-0.051421948	0.87001914	-0.462219	-0.780369	0.3726552	-0.18831654	0.061647624	0.30885434	0.47217113	0.3406614	0.4092226	0.7582789	-0.07608651	-0.15251309	-0.44389156	0.3251321	-0.006818758	-0.65611273	-0.4311674	0.6034559	-0.52978116	0.6984718	0.13387167	0.40095836	0.24807039	0.42527023	0.99769	-0.3170427	-0.9579061	0.10237543	0.2662737	-0.1210465	-0.58900595	-0.7457228	0.012563912	0.304822	0.8055086	0.7093547	0.5046503	0.3023773	-0.8405895	0.129473	-0.6464202	-0.10723519	-0.67306626	-0.5642726	-0.11208875	0.45190665	0.23828992	0.5190034	0.5610506	-0.28887016	0.44836637	0.63105834	0.7717584	0.24167517	-0.28174132	0.19629411	-0.7735018	-0.85746855	0.48416436	-0.5821615	-0.18110487	-0.6560075	-0.24781722	-0.28937533	0.33515024	-0.99970084	0.87791115	-0.6800033	-0.90370715	-0.15840718	0.27183333	-0.740806	0.07515482	-0.08268293	-0.6390047	0.19054638	-0.6409173	0.30056775	-0.33517453	0.07558301	0.9995732	-0.5226679	0.27032074	-0.43649805	0.2580097	-0.37611616	0.43496484	-0.29313472	0.41137436	-0.74567336	-0.9774226	-0.7801766	0.08174256	-0.040851556	-0.83217037	-0.3030354	0.35724062	0.066678524	-0.51906186	-0.5702928	0.18237385	0.06493192	0.12332367	-0.14282861	0.99737287	-0.31665266	0.47540987	0.044161007	-0.051993545	-0.52856904	-0.55616415	-0.07441281	0.59430665	-0.30876908	0.586482	0.9996876	0.1217326	0.13926786	0.4556604	0.53409535	-0.12648104	-0.9782481	0.64369804	0.5447721	-0.8410403	0.295653	-0.99705833	0.76483315	0.45703593	-0.5628788	-0.5614852	-0.06489372	-0.39463282	-0.2409491	-0.5336134	-0.16098891	-0.33996087	0.6033206	-0.44356936	0.42990142	-0.5567652	-0.37194896	-0.43847433	0.39624542	-0.95756036	0.7129049	-0.8931485	-0.18495706	0.16777578	0.488432	-0.12925236	0.3665204	0.15439336	-0.18430339	-0.14227496	0.608952	-0.45811597	-0.08232025	-0.09018898	0.2731199	0.7151896	-0.77208006	-0.7738103	0.021925695	-0.45187947	0.32463974	0.20363364	-0.997388	-0.8113211	-0.335102	0.41258094	-0.46517035	-0.033988934	-0.26904103	-0.313652	-0.7402299	0.33661145	0.58662325	-0.19323646	0.24728523	-0.6717896	0.24984844	0.70669883	0.9142517	-0.044679414	0.28842145	0.19596247	0.38133517	0.48326045	0.14465019	-0.5443522	-0.71466446	-0.34571424	0.22055766	0.4329771	-0.99912286	-0.47944862	-0.502046	0.18101321	0.023477128	0.6542569	0.5764428	0.5746059	-0.042756796	-0.60733616	-0.8099298	-0.21372245	-0.70047706	-0.31253448	0.48051405	-0.9724435	0.20320794	-0.2777815	0.031800132	0.4301671	-0.7798448	0.39541718	0.5362748	0.5866921	0.0412796	-0.2001458	0.54288167	-0.08397269	0.06968169	-0.36402026	-0.30289826	0.48410875	0.6740098	0.23255572	-0.53998923	0.024012668	-0.5189713	-0.67324996	-0.15416507	-0.32790494	0.39208674	-0.580579	-0.99814373	-0.43297845	0.35191122	0.14432192	-0.5441181	-0.34323347	-0.4655979	-0.07377051	-0.411675	-0.68580383	0.35439518	-0.5033802	0.18285088	0.85614794	0.14010212	0.18170798	0.30119503	0.01328351	0.06896941	0.22637519	0.89063144	0.65709126	-0.12811701	-0.6455595	-0.6857719	-0.46603477	0.22133943	-0.26205426	-0.6359907	0.6645908	0.9968329	0.07180991	-0.64211375	-0.040774684	0.44676802	-0.22014238	0.47821367	-0.30169246	-0.25883302	-0.1834314	0.9430663	0.35719624	0.9783058	0.23779237	-0.3835615	0.9991499	-0.978335	-0.518903	0.004738124	0.7536725	0.8493934	-0.8566257	-0.3573018	-0.43233758	-0.5270061	-0.62117755	0.28507665	-0.15826052	-0.106118456	0.083814025	-0.31376964	0.3393563	-0.3206547	-0.92132676	0.05674657	0.3124159	0.11995991	-0.9852603	0.37133765	-0.082140796	-0.2211042	0.9021506	-0.893514	-0.3423551	-0.70418537	0.4845279	-0.91589963	0.45218208	0.108711876	0.21007831	-0.44005272	-0.44456133	-0.013875717	-0.3831739	0.11630678	-0.037187096	0.7806385	-0.4563756	0.81504667	-0.42334476	0.7671578	-0.6380457	-0.47596	0.40734228	0.1237587	0.6670083	-0.3428221	0.2784378	-0.6486641	-0.9063177	0.028987417	-0.40764928	0.038688812	0.43548816	0.0396117	0.07474981	0.999755	0.29906738	0.14190286	0.44874203	-0.27457985	-0.124804944	0.43642145	-0.7447144	0.29918796	-0.02180385	0.22897902	-0.29554287	0.21894762	-0.56913555	0.063873425	0.6708968	-0.08202752	0.10637527	1	-0.31665224	-0.6419955	-0.5815347	0.32004112	-0.4160173	0.56359726	-0.59414214	-0.50308836	0.6954694	-0.29423404	-0.29080585	-0.3418228	-0.6600462	0.7676661	0.15178843	-0.730145	-0.10993162	-0.5782945	0.38794544	-0.89440405	0.47212514	-0.63624793	0.775803	0.005181013	0.8107545	0.28658485	0.57937133	-0.09398646	0.2251459	-0.2471037	0.25326377	0.9983545	-0.39614362	0.041591134	0.7677534	0.65227187	-0.5969472	0.9203673	0.33096418	0.15272504	0.99996877	-0.10638139	-0.9579987	-0.21831682	0.99976045	-0.73149675	-0.55721784	-0.99930567	-0.26777914	0.23638906	0.85606617	0.37757304	-0.67737836	-0.060474742	-0.1499286	-0.6457387	-0.42119095	-0.14517212	-0.67450243	-0.33087972	0.089655675	0.2951965	-0.999924	-0.99571157	-0.89507926	0.40526125	0.37056112	-0.16484505	-0.53251815	-0.5008999	-0.800574	-0.7484377	-0.20663089	0.23305559	-0.90329534	0.61053514	-0.18608035	0.19659518	0.032195773	0.21411599	0.17335059	0.3333182	-0.9999322	-0.2839716	-0.14226729	-0.28871652	-0.5186476	0.18696843	-0.062118795	0.8589315	0.2652475	-0.77880687	-0.27824906	0.3450451	0.48328024	0.9412317	0.60807925	-0.009414863	0.20987244	-0.1352071	-0.2933034	0.27009878	-0.036022022	0.015939832	-0.35093278	0.21170312	0.32351807	0.16505577	-0.48053354	-0.10259651	-0.44627026	-0.7528575	0.048148338	0.7898343	-0.21507931	-0.021611992	0.18333443	0.9546709	-0.21768492	0.23866306	-0.62296724	0.5209884	-0.7493875	0.9987846	0.037150875	0.15450923	-0.63743955	0.5461093	-0.7330855	-0.209412	-0.97304785	-0.6361507	-0.56713414	0.2688861	0.6362327	0.2579682
194	0	CCSC(=O)N(CC(C)C)CC(C)C	0.11564244	-0.02807112	-0.1076985	-0.31040704	0.760552	-0.049541004	-0.3806384	0.07717434	-0.48960543	-0.06080473	-0.7112377	0.043628894	-0.5170245	0.65830284	0.4680348	-0.8541159	-0.36923978	-0.1647595	0.6186381	-0.48219615	0.42096686	-0.28729987	0.003487074	-0.2677468	0.005474088	0.61428857	-0.21751367	0.1132707	0.098886386	-0.40285733	0.31757656	0.29104644	0.27655655	-0.2628597	-0.44074523	0.601635	0.2939507	0.31421944	0.72358114	-0.791966	-0.9785571	-0.51893675	0.005430823	0.49588224	0.061812036	-0.98648465	0.38903564	-0.5442549	0.9784966	0.5379778	0.16505603	0.011156565	-0.4630907	-0.12980855	-0.6835395	0.28338715	0.27076855	0.81709486	0.38041574	0.74070215	-0.11822549	0.021007784	0.37627068	-0.42712831	0.215363	0.36846358	0.73801184	0.43748522	-0.23440549	0.21658796	-0.22503293	-0.937562	0.4562076	0.86461526	0.741722	-0.5942303	-0.3756109	-0.55274284	0.28189015	-0.9997592	-0.05735216	-0.414524	-0.10957495	0.18225929	0.32904655	-0.20257932	0.63041735	0.35196084	-0.34555432	0.54838026	0.4770135	0.16997182	0.45402196	0.05048284	0.9231742	0.29325148	0.31171706	0.35904747	0.33729294	0.355906	0.39594546	-0.031593528	-0.08084249	-0.6717376	0.36176148	-0.12081445	-0.024465963	-0.063951574	0.98881084	-0.09241588	0.01127285	0.004417496	-0.36553302	-0.25091147	0.058126427	0.5198353	-0.17136973	0.35321948	0.9989907	-0.52903414	-0.13567378	0.7026012	0.17826402	0.13590148	0.18832357	0.40381348	0.5650758	-0.20888488	-0.05216116	0.9998137	0.717033	-0.14744236	0.050708238	-0.00253308	0.20231287	-0.98587406	-0.38341248	0.16778363	-0.40581372	-0.7719828	0.999341	0.49276364	0.9843042	0.047886662	-0.33275312	-0.1390719	-0.40459293	-0.34999484	0.9427622	-0.21495393	-0.40862218	-0.4491607	0.09809347	0.38767847	0.08889974	0.044346508	-0.5815647	0.9959352	-0.82784	-0.89881885	-0.9705275	-0.12652716	-0.43052122	-0.27929056	-0.17927355	-0.18844864	0.5716669	-0.38648868	-0.13065217	-0.53698236	-0.22100332	-0.20512992	0.33366144	-0.14374071	-0.40405595	-0.95476085	-0.6803658	0.22143027	-0.5363482	-0.3624305	0.2644956	-0.13590556	0.36712834	0.30289268	-0.79666734	-0.4929763	0.42360526	0.1446994	-0.5618004	-0.61560553	-0.74568367	-0.0918133	0.3127248	0.769763	-0.69653314	-0.2656797	0.7468786	-0.81398785	0.23337962	0.14787942	0.599469	-0.63507813	-0.24609111	-0.72943324	0.32701746	-0.25230896	-0.27096617	-0.20615345	-0.021767618	-0.9969467	-0.37352538	-0.04754256	0.14969513	-0.16127408	0.4181545	-0.3331721	-0.11275346	-0.62853736	-0.43704918	-0.6161383	0.27717575	-0.18627626	-0.4795085	-0.05878272	-0.97398657	-0.53698415	0.33123708	-0.6583472	-0.1322546	0.19396043	-0.4822004	0.04735665	0.21884263	-0.76829404	-0.31743062	-0.3124869	-0.1896898	-0.48071557	-0.16374245	-0.41339827	0.74773896	0.093188465	0.052024566	-0.5532594	-0.62902546	-0.48564762	0.31704545	-0.7464102	-0.4326178	0.24099095	0.6585533	-0.99985325	0.17654073	-0.0933416	-0.17707595	0.22385027	-0.24221078	0.18380381	-0.384393	-0.57674176	0.2754006	-0.24028338	0.45974207	0.34487045	0.04638299	-0.5199491	-0.30060282	0.4972985	0.86422056	0.40847018	-0.036476854	0.90943414	-0.08477978	0.28988472	-0.13086735	-0.8121619	0.8146516	-0.7132689	-0.88918287	-0.30392042	0.7454472	0.9992297	-0.57973015	-0.43693814	-0.1426403	-0.10785062	0.009183729	0.89253676	0.94659126	0.02276132	-0.13081038	0.99874765	-0.049801204	0.93246347	0.60017854	-0.77086014	-0.9962295	-0.9848191	0.12123923	0.31065476	0.092163876	0.5426493	-0.1897476	-0.71314335	-0.070012875	0.25035405	0.9637291	0.26481384	0.50024384	0.18165971	-0.2670649	-0.0914895	0.11602428	-0.3107748	0.72969383	-0.1790566	-0.2019475	-0.3808237	-0.9999683	-0.24126917	-0.4768722	0.2869548	0.02591269	-0.47067538	0.2776726	0.16727403	-0.172245	-0.962517	-0.047186267	-0.489131	-0.41359574	-0.17258745	0.08422504	-0.38872156	0.27332044	0.44837338	-0.22905453	-0.5878337	-0.65252376	-0.34126538	0.051267862	0.70405734	0.24281731	0.59208596	0.30270863	0.09903633	-0.5440385	0.5584097	-0.13994376	0.76235604	-0.9919375	-0.3457787	0.4456237	0.10832072	0.014670378	-0.4601731	0.035423342	0.99976313	-0.8009208	-0.5430004	0.043282844	-0.25889435	-0.2284663	-0.44504586	-0.724701	0.019353217	0.015707536	0.023125777	-0.41995883	0.42697626	0.3050083	0.27107966	-0.6271653	0.73388606	-0.4374231	1	-0.39726606	0.20788047	-0.4269309	0.32296234	-0.5482657	0.6275285	0.37543106	0.3204267	0.05668828	0.68875974	0.18675254	0.5961908	0.13642183	-0.28428897	-0.301767	0.18653876	-0.107357405	0.039549503	-0.32808083	-0.9107706	0.4557833	-0.5752848	0.579856	-0.5078833	-0.78469765	-0.35517174	0.07519058	0.16761988	-0.08324994	0.29127744	-0.5312932	-0.4521683	-0.29235005	-0.07300848	0.034849122	0.5616114	0.64968175	0.46619827	-0.12211827	0.24610572	0.99999994	0.1903891	-0.44782454	-0.08239214	0.9997405	-0.20499763	-0.41168183	-0.999918	-0.4053084	-0.37370715	-0.098471425	0.06957896	-0.59598863	0.12880582	0.5603418	-0.5486887	0.6896365	0.37571827	-0.55586535	0.45460948	0.4159036	0.26393217	-0.9999134	-1	-0.9878753	-0.4609827	0.37077415	-0.37173298	-0.64971894	0.07441994	-0.5979072	0.6499149	-0.26547074	-0.054648623	0.45169258	-0.6278929	-0.077776715	-0.5634787	0.4183342	0.27544397	0.43532476	-0.93564886	-0.9998654	-0.40133995	0.17394365	-0.07272326	-0.33663684	-0.1798817	-0.98016167	-0.04244635	0.7055637	-0.31587052	0.16171756	-0.33780482	-0.15166013	-0.8912465	-0.49280664	0.36445323	0.3303234	0.58465755	-0.003024997	-0.104728974	0.2549979	0.51402384	-0.47851068	-0.34691858	-0.2779406	0.41985157	0.41628462	0.27796623	-0.000432055	-0.56759214	0.12344367	0.47008488	0.3009455	0.03301025	0.3796013	-0.046413854	0.36259785	-0.17598702	0.24122512	-0.07632558	0.17652228	0.99991745	0.24288616	-0.43306887	0.12127603	0.08847228	0.56877434	-0.14795168	-0.8739875	-0.6877475	0.27477673	0.4090021	0.5905201	0.030362837
195	0	CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC	0.9876284	0.23066111	-0.69064146	-0.25697842	0.7033194	0.85389835	-0.61582226	0.041181996	0.83881575	0.21277879	-0.813027	0.42438194	-0.63731074	0.3392845	-0.33186126	-0.45026746	0.54235053	-0.21380204	-0.19334283	0.045964327	0.4104521	0.78180903	-0.75804687	-0.028540676	-0.51399493	-0.08806734	-0.24470074	-0.54605573	-0.44515717	-0.6136407	-0.10632503	-0.59126747	0.37238967	0.18329225	0.5547762	-0.57965183	-0.04595282	0.31880608	0.9999652	0.7784555	0.095803685	0.39228788	0.37795117	0.36824325	0.22906852	0.98569256	-0.74205536	0.4737288	0.9989972	0.16231519	-0.212622	0.36298865	0.34286922	0.3990165	0.2203282	0.10793566	0.95867133	-0.98318803	0.34942296	0.099873915	-0.7394708	0.6773597	-0.19995336	-0.24185444	0.30667293	0.85843337	0.028482385	-0.42389798	0.29966694	-0.28189763	-0.51100665	0.38636914	0.10662565	0.8908995	0.24964844	-0.097393975	0.5601587	0.4444702	-0.18460335	-0.9998546	0.88289905	-0.38835576	-0.8645582	-0.17592268	0.688249	-0.92414135	0.33461866	0.814896	-0.173343	0.7955148	0.5473141	-0.5213707	0.7234933	-0.39258343	0.9999323	0.019541249	0.1658818	0.008366864	0.36690438	0.026138386	0.7238513	0.25075975	-0.26219392	0.18812473	-0.9999721	-0.80178386	0.6253133	-0.24197811	0.9627489	0.28047854	-0.35706872	-0.16239847	-0.5082694	0.12822655	0.48527753	0.8530616	-0.003811437	-0.3994751	-0.10798548	-0.05694096	-0.4820989	0.23962116	0.26378962	-0.48983046	-0.11635594	-0.28712678	0.5322254	0.29388532	0.2305367	0.999822	0.31713444	0.36324593	0.4837731	-0.29367313	0.17885539	-0.9783349	0.09183833	-0.830685	-0.78174406	-0.47981685	0.99411154	0.28712347	-0.78733397	-0.67509687	0.38010368	0.3234919	-0.37494504	-0.55956745	-0.9999519	0.5913911	-0.29657713	-0.96909636	0.5825657	0.17989638	0.6119429	0.13737427	-0.44682863	-0.99839103	-0.97256136	-0.8901914	0.8870791	-0.88920873	-0.5412893	-0.08597934	-0.12420231	0.4047457	-0.8112769	0.24488081	0.023519903	-0.7572538	0.2338172	0.17413205	0.001966613	-0.23012523	0.23737569	-0.81139773	-0.16752848	0.3761183	-0.80837274	0.646437	0.49546885	-0.99895287	0.7566963	-0.08377643	0.92301357	-0.35319558	0.18442886	0.3982171	-0.22274774	0.35087702	-0.8710309	-0.41483566	-0.18591182	0.46789882	-0.0866972	0.38765422	0.65345997	-0.9700321	0.37498376	0.6138519	-0.09053153	-0.6855463	0.30584744	0.27682862	-0.40334553	-0.7257743	0.4840697	0.099926524	0.11028254	-0.9999848	-0.09634974	0.2780769	-0.116432175	-0.51249754	-0.32791433	-0.73523265	-0.6633277	-0.64495784	0.24428955	-0.5692502	-0.46729705	0.4610487	-0.1258666	-0.1800673	-0.9960102	0.5529046	-0.06872785	0.31068128	0.57929546	-0.670051	-0.10249597	0.10944552	0.682178	0.23880488	-0.14440517	0.70544875	-0.04804761	-0.56319445	-0.19574094	0.5029883	0.9109037	-0.35737872	0.5105249	0.43224263	-0.9690442	-0.65922487	-0.588649	-0.6388106	0.12052382	0.55979294	0.62418795	-0.999485	0.36356628	0.27799398	0.2250758	-0.6259204	0.46401328	0.544374	0.10762933	-0.35845062	-0.061354093	0.55187964	0.4371418	0.056726962	-0.11281818	0.2550102	0.005860066	-0.52330077	0.8261262	-0.43135265	0.19496259	0.9986367	-0.35618415	-0.20989811	-0.31021878	-0.94379157	0.7432335	0.39430717	0.4030737	0.5466253	-0.14693856	0.105184995	-0.35485816	-0.7783962	-0.6662487	-0.007191038	0.7626026	0.95781887	0.42628342	-0.33583775	0.23353276	-0.9465304	-0.47975445	0.91395915	0.5858445	-0.12753484	-0.9825922	-0.9928177	-0.29346517	0.032678176	-0.056819294	0.14190407	-0.7656029	0.68759614	-0.5465997	-0.77352583	-0.9998912	-0.06455094	0.5218728	0.63615453	-0.12520157	0.48030716	-0.3521235	0.25536314	-0.9016798	0.21218625	-0.33141625	-0.6247906	-0.99846876	-0.7096812	-0.07604474	0.6802631	-0.5169418	-0.9494392	0.76969737	-0.6974111	-0.34143716	-0.5552368	0.47179136	-0.3223787	0.74999404	0.21624252	0.4563438	-0.099552825	0.6506472	0.9127921	0.25259644	0.4649019	0.901939	0.28286713	0.12070368	0.81858766	-0.5130581	0.3192387	0.4794168	-0.46217158	-0.66494906	0.52137417	0.29849067	-0.9976172	0.77405	0.6149357	-0.090422794	-0.45515078	0.5819425	0.21307431	0.2106823	0.9995528	-0.013752734	0.2820109	0.015221024	-0.15078798	0.33549756	0.119641475	-0.8706827	0.05522326	-0.6694892	0.099750645	0.11022475	-0.2845258	-0.6166919	0.03330535	-0.024508152	-0.8954966	0.52910084	1	-0.15976258	0.039979417	-0.29622582	0.77369535	0.79536635	0.8276039	-0.3074099	0.58182925	0.7286905	0.4113313	0.077556305	-0.25154802	-0.85819983	0.5250581	-0.41657957	0.2541983	-0.4548473	-0.021832947	-0.3293532	-0.9977899	0.26417315	-0.82980746	-0.50179905	0.57941157	0.9974633	-0.6168502	-0.6955203	-0.5677968	0.005328869	0.016366487	0.80205584	0.6659178	-0.001436376	-0.4351213	-0.8254657	0.23067997	-0.25163984	-0.35862976	-0.034409795	-0.7952428	0.9999942	-0.4690181	-0.95562	-0.010230333	0.9795439	-0.86194885	0.18012618	-0.9998012	-0.429729	-0.98947304	-0.2561426	0.035884324	0.4176076	0.83895504	0.44503415	-0.9419992	0.3368699	-0.6354991	-0.29554227	-0.22158632	-0.18405706	-0.89133286	-0.989314	-0.9999986	0.9026369	0.07545991	0.59377307	-0.41572598	0.5432916	0.33148003	0.6900961	-0.7349299	0.3559794	0.26524353	0.007744515	0.44926387	-0.1314984	0.63284403	0.52155936	0.025150713	-0.40191007	0.9970183	-0.9124123	0.32954934	-0.17119901	0.6288444	0.23702285	0.9197341	0.7316187	0.75440013	0.7549333	0.33751637	0.26320902	0.43069303	0.07396798	-0.81720346	-0.2601403	-0.9981426	0.1667382	-0.08547986	-0.45829892	0.73488563	0.18358995	-0.39681235	-0.6418341	0.67327154	-0.99972963	-0.004381357	-0.2972476	-0.11170886	-0.07257994	-0.2993721	0.019933619	0.24875167	-0.8303527	0.5905772	-0.07653562	0.99994856	0.15294173	-0.90985614	0.8165143	-0.31865567	-0.34424284	0.9997076	0.89055663	-0.8488003	-0.5549765	-0.56671226	0.030450895	-0.7208461	-0.99995667	-0.6186324	0.29695433	0.26384836	0.5443187	-0.40217373
196	1	Nc1ccc(-c2ccc(N)cc2)cc1	-0.6278713	0.041086186	0.40455595	-0.10164432	0.36960366	-0.39265543	-0.5412687	-0.19567277	0.01863619	0.25450984	-0.8017709	-0.4371951	-0.042354282	-0.5660373	0.31804603	0.7373209	0.16830184	0.1424175	-0.32033762	-0.29406852	0.47564447	-0.78547806	0.50524974	0.23265962	0.42129865	0.26011243	-0.054978564	0.52783465	0.27398926	-0.40267715	0.13898654	0.052511804	0.09553919	0.22707252	-0.16158995	-0.17294268	-0.7086113	0.5965259	0.74291867	-0.93411773	-0.78275526	-0.24835895	-0.7161893	-0.43698525	0.5686316	-0.99206555	0.14317508	-0.25486124	0.84034246	-0.50172764	0.31998992	0.3836315	0.21871817	0.002351718	-0.9368935	-0.37906232	-0.49703225	0.9251491	0.43464464	-0.001002344	-0.029351829	-0.2978074	0.35857078	-0.50640976	0.20660643	0.56862354	-0.26855516	0.41969833	-0.000492461	0.4794256	0.54320914	-0.9665172	0.40000716	-0.588556	0.63198996	-0.01248697	0.02423302	-0.24501055	-0.11239064	-0.95776427	-0.9111885	0.1904187	-0.7634848	-0.27984557	-0.027805258	-0.47539318	-0.27270427	-0.18241799	-0.16108389	-0.33924755	-0.1995418	0.22178635	-0.07526288	0.10509371	0.6211297	-0.29152614	-0.066412516	-0.17623173	0.5259732	0.005077153	-0.2166322	-0.5966626	-0.07608781	0.6518881	0.51542646	0.2334183	-0.47014436	0.42316177	-0.99781096	0.012336575	-0.2287898	-0.28663805	0.27961174	0.30147505	-0.39690503	-0.116458476	0.16889322	0.61343986	0.99919426	-0.10325885	-0.13604641	-0.44173586	-0.10533619	0.026233023	-0.2994188	0.08159502	-0.31894425	0.035490803	-0.069508545	0.999629	-0.37491876	0.28634304	0.086827695	0.04916139	-0.2890741	0.61516154	0.37747803	0.77793354	-0.6710088	-0.016235067	-0.99958974	0.37162274	0.98309463	-0.38109073	0.55635184	0.20259887	-0.18958834	-0.73953736	0.97022575	-0.32126772	-0.26146644	-0.6387761	0.1046032	-0.1248973	0.10098959	0.35864004	-0.34588936	0.9960969	-0.18176106	-0.08929484	-0.990615	0.2934183	0.19126238	0.11264453	-0.05051045	0.48853564	0.37273327	-0.35875818	-0.23940833	-0.13566095	-0.7620824	-0.25285435	0.42906433	-0.54382426	-0.16773492	-0.96427757	-0.6804964	-0.045611132	-0.38279384	-0.20823483	0.49334627	-0.43250474	-0.011601221	0.63899565	-0.6908962	-0.5646122	0.6167943	0.11245673	0.35078758	0.1540643	0.8289365	-0.04287379	-0.016464002	0.12181487	0.10715789	0.3578579	-0.079674065	0.58667076	0.23227178	-0.53281784	-0.063269615	-0.5135122	-0.62670434	0.17690836	0.50723493	-0.25149822	-0.12774816	-0.32153648	0.08454329	-0.9931017	0.019724667	-0.0712558	0.3071717	-0.46730626	0.22565445	-0.032737795	0.108503565	0.03362027	0.09742929	0.24067731	0.09041665	-0.2885781	-0.5759112	0.028147144	0.9999634	0.53658867	0.11043	0.26884285	0.27262443	-0.37081742	-0.23277122	-0.41714966	0.45147526	-0.33982712	0.12661539	-0.44554254	-0.7755655	0.060705587	0.27896264	0.5013311	0.80231166	0.2052526	0.5369809	-0.22955847	0.6654659	-0.09328095	0.12601139	0.14455058	-0.05898049	-0.094632395	-0.29117742	-0.97131133	0.05465071	0.5842165	-0.09515713	0.48929358	0.3660929	0.30403027	0.5209842	-0.26700044	-0.37615937	0.27818614	-0.1829258	-0.68058676	0.6818926	0.2661085	0.5041661	-0.17089519	-0.99705935	0.6121389	0.054916766	-0.27840418	-0.26606846	0.19213411	-0.33823046	0.9176677	0.18124217	0.35278773	0.14717144	0.5592171	0.073199525	0.99974996	0.2499365	0.6587648	0.31949493	-0.1131443	-0.6192365	-0.6000088	-0.43230742	0.21896906	0.65151167	0.9991523	-0.15045276	0.53277576	-0.12364966	0.53998387	0.99990255	-0.9726588	0.5374163	-0.11275778	-0.53958637	-0.005777003	-0.6699909	-0.064666875	0.2811161	-0.8614486	0.9691456	0.1362334	0.34594718	-0.056196928	-0.23262325	0.31747115	0.12044967	-0.66737753	0.8023049	-0.20172241	0.314489	-0.33450395	0.8845631	-0.27069834	0.23608246	-0.17649885	0.195326	-0.31327417	-0.52156585	-0.25350848	0.5932542	-0.8523187	-0.2134567	-0.06338334	0.18087508	-0.4753769	0.015146733	-0.21802756	0.16845267	0.17978965	-0.3943993	0.05327236	-0.33992815	0.12095063	0.029584125	0.11658406	-0.38176757	0.26664582	0.002873457	0.35168698	-0.37484598	-0.005691263	-0.6056775	0.7991867	-0.99663705	-0.04252494	-0.50755966	-0.44338614	0.01908596	0.53285825	0.14832872	0.99885964	0.3426048	0.3597036	-0.44154125	-0.07282659	0.68113226	-0.14388426	-0.81635135	-0.022065738	-0.4427042	-0.59264654	-0.3964941	0.67645806	0.10540692	0.31936622	0.4487333	0.89234424	0.42179906	0.9988503	-0.25384316	-0.21201892	-0.045014683	0.1499108	-0.7320377	-0.17862631	-0.008658233	-0.837505	-0.41413337	-0.30383292	-0.013606742	-0.23714142	-0.05459453	0.6829022	-0.24464285	-0.1870771	0.43480286	0.42097527	-0.3992901	0.302814	-0.06738876	0.35168874	0.66332036	0.30832306	-0.8286762	0.05450622	-0.10978242	0.4548093	-0.1409599	-0.538645	-0.3304051	-0.67244923	-0.435112	0.091850616	0.7676101	0.50657296	-0.36526355	0.3537671	0.0831847	0.25011533	0.9689034	0.5078338	-0.97472155	0.5422474	0.9996316	-0.094099306	-0.46741727	-0.96300715	-0.16426767	0.3635646	0.5984383	0.06123344	-0.7879534	-0.057404764	-0.50032556	0.07235998	-0.08890084	-0.4991009	-0.28356406	-0.011617084	0.22767264	-0.021288734	-0.999989	0.9874408	-0.9877142	-0.14022377	-0.56183165	-0.003584665	-0.17207712	-0.6178932	-0.5455058	0.4889864	-0.44319016	-0.24570684	-0.9212024	0.027727164	0.5230206	-0.7585629	0.6920756	0.24095118	-0.014962578	-0.9440393	-0.99996305	-0.255085	-0.3538726	0.10409132	-0.26405823	-0.17545024	-0.96411794	0.22481078	-0.07580794	-0.108550735	-0.13282447	0.039170217	-0.30181327	0.95481294	-0.15501603	0.31664264	0.2214918	0.1733379	0.529993	-0.89145356	-0.29987857	0.50814867	-0.24625707	0.24345946	-0.6252208	0.078675285	0.11903985	-0.13603668	-0.2908618	-0.37464553	0.25883743	0.618203	0.2828523	0.057977643	0.5574576	-0.23299317	0.35083258	-0.40099135	0.09280045	-0.59940314	0.56512076	0.99969447	0.55043685	0.18419346	-0.16538374	0.15456915	0.018983088	-0.19294411	-0.5247954	-0.18571004	-0.05968651	-0.5833625	-0.115824126	0.020597352
197	0	COc1cc(-c2ccc(N)c(OC)c2)ccc1N	-0.5069335	0.5031547	0.5219389	-0.6412298	0.13183352	-0.08690749	-0.16269733	0.082574725	-0.3152213	0.45548117	-0.806037	-0.0951456	-0.36128604	0.19415714	0.25753695	0.18727306	-0.14604865	0.051367667	-0.20754747	0.1428663	0.081679076	-0.47946224	0.7945335	0.17038187	0.65790194	-0.6009661	-0.20685259	0.47247145	-0.388762	-0.06339218	0.22491498	0.020082073	-0.10111714	-0.22710551	-0.5077882	-0.24213882	-0.36655247	0.57802784	0.9846941	-0.79303324	-0.44119558	-0.1864595	-0.7906962	-0.33628896	0.25759068	-0.95051146	-0.2677058	0.4466558	-0.02290429	0.49441206	0.28714567	0.29914746	0.043979757	0.087505594	-0.8860652	-0.4292328	-0.7600047	0.56322753	0.3671159	0.11670178	0.40927738	0.09258557	0.3276004	-0.4653521	0.46898988	0.7120267	-0.3547911	0.18221106	0.27082425	0.08908179	-0.6268351	-0.9768985	0.4037719	-0.7014328	0.13335724	-0.27239	-0.21181728	-0.23086952	0.2534231	-0.9873519	-0.43353704	-0.11017228	-0.9172386	-0.09715385	0.35763675	-0.5313272	-0.5144792	0.049019035	-0.23913924	-0.7589001	0.2884801	-0.102890134	0.29376435	0.22300428	0.9825215	-0.29550028	0.28439814	0.029570434	0.6465933	0.049792632	-0.018846031	-0.64229935	0.21835218	0.43355	-0.7418837	-0.6566826	0.1188078	-0.034867804	-0.9992113	-0.02252918	-0.22911982	-0.36677778	0.037154276	0.49772862	-0.5700846	-0.5573003	-0.45820013	0.2237876	0.9977637	-0.31730404	-0.3198551	-0.72450197	-0.035031024	-0.34919545	-0.28003645	-0.044754513	-0.3230072	0.049730357	-0.45410496	0.99881065	-0.5439785	-0.038921718	-0.05457306	0.17540683	-0.1521961	-0.2496305	0.2915801	0.4846253	-0.68156123	-0.24119343	-0.99918914	0.09717672	0.93666506	-0.099212326	0.16969834	-0.10450091	-0.008977531	-0.4820398	0.52992195	-0.3708691	0.49607697	-0.62032616	-0.6447157	-0.011299336	-0.20164977	0.19568296	-0.48201352	0.9368497	-0.67225826	-0.06010458	-0.96592253	0.580369	0.39439508	-0.10924444	-0.02709616	0.5088204	0.44370484	-0.31904984	-0.042842355	-0.09090023	-0.76648396	0.106948026	0.09030025	-0.5144733	-0.44747582	-0.863209	-0.7864571	-0.19934876	-0.6561352	0.1757942	0.020782435	-0.9132102	-0.03322488	0.44287816	0.17744498	-0.38084292	0.4042832	-0.20699225	0.3961865	0.30791423	0.82134676	0.3496794	-0.18402292	-0.39389178	0.25156552	0.09313088	-0.41227263	0.34869885	0.17771836	-0.39986438	-0.39145118	-0.48487762	0.19469011	-0.30476144	0.51861966	-0.2967213	0.21351673	-0.22683097	0.6782505	-0.9993282	-0.07298546	-0.45497635	0.39071164	-0.2695481	0.001992163	0.46419704	0.22010234	0.03141035	0.10191878	0.24169032	-0.007953247	-0.56413674	-0.3811942	0.38800803	0.9999804	-0.1528303	-0.0585024	0.15276174	0.04231349	-0.10116923	-0.15013146	-0.45878315	0.5539852	-0.33353305	-0.20566016	-0.20944825	-0.45266607	-0.12579395	0.022143904	0.6777174	0.8930289	0.28536686	0.55339366	0.07881061	0.7564546	-0.19739987	-0.011751639	0.40610084	0.0241514	-0.48429075	-0.24586834	-0.9780139	0.7053372	-0.14680053	-0.26383767	0.46686953	0.4441494	-0.17037617	0.3747912	0.06416362	-0.36437878	0.51550615	0.46254292	-0.70198196	0.67774856	0.13787286	0.099465415	0.2783657	-0.99762636	-0.05005232	0.33571678	0.91402227	-0.3409466	0.7330444	-0.5300065	-0.49751872	-0.16543004	0.6045322	0.5044667	0.6108033	0.02730121	0.99888897	0.1664246	0.33807877	0.15126747	-0.2684837	-0.06679357	-0.24284056	-0.34188542	-0.27454248	0.35566774	0.99403906	-0.032758094	0.81342274	-0.17220068	0.12758082	0.9998829	-0.960551	0.021393692	-0.37828475	-0.5360587	0.14404379	-0.7475621	0.24820861	0.4260942	-0.7549357	0.17611633	0.007567457	0.13844597	0.5498155	0.35254508	-0.08489069	0.5425856	-0.65454674	0.41202328	-0.44035432	-0.20464312	-0.64145553	0.83538544	0.5870548	0.15435949	0.08458946	0.1820709	-0.4657393	-0.1045668	0.17465894	0.54392415	-0.6421512	-0.22327559	-0.5802874	0.34820685	-0.4812327	-0.09124112	0.03236582	-0.5494836	-0.16962071	0.13397953	0.14043823	-0.23276463	0.40595657	0.06486009	0.3442666	-0.628967	-0.35192752	0.37726343	0.10205662	-0.039508186	-0.029399002	-0.33211404	0.35463244	-0.98266083	-0.1448235	-0.2184343	-0.15291929	-0.09561172	0.63711894	-0.019473104	0.99960566	0.7069341	0.28177726	-0.18328197	0.02976041	0.41870672	-0.28211996	-0.758918	-0.23460424	-0.6649643	0.028831271	-0.32921252	0.30449265	0.525629	0.22890262	0.5857372	0.3860815	-0.100316666	0.9985639	-0.3707265	-0.048269313	0.19352168	0.6055632	-0.47223142	-0.7540645	-0.36492437	-0.49934095	-0.40998235	-0.54201734	0.12201177	-0.4392876	-0.46371543	0.69131726	-0.05594758	0.22503494	0.48996025	0.16671556	0.040720116	-0.36582506	0.2526081	0.021746315	0.74329835	0.51959026	-0.1923761	-0.2762487	-0.003143645	-0.22803624	0.019593451	-0.2489092	0.051503576	-0.813516	-0.6461835	0.2925558	-0.29737929	0.4311232	-0.05896763	-0.65677524	0.25821576	0.34966096	0.9793923	0.18982284	-0.9773747	-0.19948342	0.9994901	0.5312488	-0.23115575	-0.98517	0.06768607	0.30146325	0.63338774	0.10094057	-0.39472517	-0.20067127	-0.6983663	0.10574611	-0.40845618	0.07653429	-0.16009063	-0.49179125	0.25108	-0.4018902	-0.99995947	0.9904049	-0.9484793	-0.54257005	-0.4943631	0.25218266	-0.025563413	-0.6398442	-0.62137395	0.51679814	0.2530146	-0.097606204	-0.9190355	0.43094528	0.44098067	-0.56702185	0.80632406	-0.47821093	-0.15045471	-0.5934331	-0.9998935	0.01340088	0.37434763	0.08452794	-0.14774632	-0.22767183	-0.76040655	0.6718839	0.62946576	-0.42529854	-0.1956156	-0.40783012	-0.20101482	0.9590876	-0.48780102	0.42096552	-0.5631751	0.4842293	0.57340026	-0.67437476	0.24002716	0.44414136	0.2722084	0.6365989	0.1284334	0.5843279	-0.05416939	0.055470545	0.11284921	0.11715789	0.06506708	0.7415152	0.25490534	0.5865724	0.1175114	0.8974775	0.15122883	0.038348276	-0.10113654	-0.6409717	0.42755818	0.9997582	0.71384096	0.07052903	-0.41284013	0.34191623	-0.013905949	-0.24160218	-0.966499	-0.1200248	-0.3136318	-0.2574194	0.07598713	-0.63687044
198	1	Nc1ccc(N=Nc2ccccc2)cc1	-0.17762092	0.08918686	0.48751274	0.62161773	-0.18314517	-0.47653314	-0.5034608	0.62694955	0.18060732	-0.592273	-0.72489166	0.13358562	-0.110863134	-0.64545834	-0.040126096	0.66046613	0.032768223	-0.19591571	-0.34200197	-0.14668776	0.79767966	-0.6945585	0.188813	0.6435705	0.40009624	0.20670474	0.12640435	0.27028832	-0.08166451	-0.39188117	0.101728104	0.10425345	-0.36429098	0.27756155	-0.100879356	-0.1641782	-0.23146012	0.5829518	0.83358395	-0.96269363	-0.9792616	-0.3325207	-0.10827174	-0.4803436	0.47313935	-0.9851321	0.3051285	-0.09376158	0.99452543	-0.3837277	0.11705125	0.38599	0.47117764	-0.5216602	-0.83146775	0.036573477	-0.6984427	0.9200476	0.36945927	0.29792684	0.090362616	-0.2891067	0.5924318	-0.12731723	-0.29518136	0.46049806	0.015476488	0.46387607	-0.04336062	0.6645104	0.5102239	-0.87505776	0.40209508	-0.4188524	0.43549076	-0.3788869	0.13016525	-0.6740341	-0.3008498	-0.9750213	-0.6448441	0.18786295	-0.47096428	0.3137691	0.13672625	-0.72887194	-0.082268655	0.002582868	0.012148635	0.18695724	0.31955934	0.3288755	0.3086519	0.4371892	0.9670726	-0.13107629	-0.4452754	0.32003227	0.44266358	-0.5552101	-0.005463248	-0.83083576	0.14916271	0.9083392	0.43480235	-0.62581164	-0.4460555	0.33056644	-0.7504234	0.22983803	-0.33581468	0.25879383	0.07840323	0.3113223	-0.6541787	-0.5388714	0.6614723	0.41295978	0.99859935	-0.56594926	0.22377324	-0.37439007	-0.3505854	0.031584322	-0.5270833	-0.11081624	-0.14453124	-0.36716387	-0.035592843	0.9997869	0.3320282	0.34137672	0.20351546	-0.19385971	0.02038357	-0.007467068	0.5716106	0.6615846	-0.5390687	-0.26978523	-0.9998473	0.1962918	0.977452	-0.18475097	0.40370378	-0.27078906	-0.5138713	-0.24790274	0.9336727	-0.42078802	0.018482666	-0.40920687	0.02006696	0.000871139	0.03728448	0.55784327	0.22635345	0.99617475	-0.2879232	-0.63478273	-0.98103535	0.28040612	0.070119664	-0.051413413	-0.19270213	0.07934738	-0.35790104	-0.45846376	-0.23510002	-0.03905537	0.14677459	-0.17873698	0.7443074	-0.47387385	-0.24257766	-0.8789628	-0.7848658	0.14058048	-0.41223592	-0.37079918	0.7467476	-0.61184	-0.28129506	0.6830797	-0.73356503	-0.2918554	0.84272814	-0.30193302	0.3261883	0.22221178	0.16428319	0.05218106	0.18197465	0.048377533	-0.35831225	0.31948408	0.4288731	-0.1117202	0.3053287	-0.51970863	0.032725275	-0.6098996	-0.8058718	0.33622485	-0.24705887	-0.15196235	-0.4031129	-0.60803336	0.6781269	-0.99593574	0.03082435	0.2019571	0.115988165	0.05453347	0.5517775	0.0988944	-0.010220707	-0.25649	-0.007518481	0.05620282	0.65514785	0.40097263	-0.3174478	0.08629868	0.97366357	0.32349703	-0.19111519	0.4882761	0.6987738	0.40475318	-0.04295389	-0.44637066	0.7013339	-0.6433793	0.37853026	-0.3112388	-0.4305054	-0.09230328	0.5186822	0.23197097	0.8898052	-0.03403741	-0.05323326	-0.2790993	0.7647548	-0.031205798	0.096334375	0.17195944	-0.6618756	0.060708888	-0.053683802	-0.9655729	-0.06847661	0.80777866	-0.014022976	0.63139874	-0.19497788	0.64039785	0.089315884	0.10417211	-0.32047135	0.78661174	0.23111464	-0.34081656	0.56586826	0.46825445	0.5463224	-0.40104282	-0.9329712	0.4669739	0.03987584	0.28166503	-0.34924158	-0.15447262	-0.20993859	0.9219305	0.19847848	0.40103886	-0.23508736	0.643669	0.16460644	0.9996131	0.12916726	0.571563	0.03813031	0.34709606	-0.06233648	0.30272043	-0.35045668	0.3454871	-0.030500803	0.99899215	-0.35266092	-0.027795332	-0.34120688	0.5649148	0.99995387	-0.9631116	0.4404138	-0.14232188	-0.4694188	0.4478902	-0.644011	-0.60048765	0.5885856	-0.47068176	0.95923567	0.39851186	0.6514501	-0.699148	-0.14598124	-0.048477113	0.47087944	-0.41163483	0.85292614	0.25274622	0.60605806	0.29654238	-0.9890923	-0.28253916	-0.34588942	0.4864165	-0.16702735	-0.909562	-0.4978176	-0.60738665	0.78275585	-0.9231897	0.40787795	0.10821759	0.3543253	-0.41211542	-0.44019973	0.15358733	0.54360145	0.4960165	-0.03286063	-0.48756275	-0.19978659	0.18704529	0.003173734	0.21289597	-0.5806691	0.8500843	0.023552101	0.000163063	0.02597749	-0.30534092	-0.58272177	0.7190034	-0.9966524	0.081234574	-0.32510546	0.36039785	0.5072039	0.65932715	0.47344548	0.9982515	-0.034305654	0.008026492	0.001854577	-0.4820593	0.71265733	-0.014709627	-0.8286433	0.03798289	-0.1433535	-0.77856874	-0.7848029	0.59971917	-0.3362954	0.15953082	0.3226114	0.81801677	0.11296532	0.9987737	-0.17244358	-0.13607797	-0.60433054	-0.54737324	-0.41777122	0.31859645	0.4386279	-0.46736172	-0.14057608	-0.22704221	-0.17973067	0.60695636	0.12725909	0.7578872	-0.23079513	-0.6174302	0.1911635	0.61554384	-0.28874052	0.2568272	-0.25842783	0.08295412	-0.08471679	0.18333387	-0.6790983	0.41263348	0.27200034	0.22182271	-0.06989358	-0.4556309	0.1768137	0.87562764	0.38399884	-0.20219766	0.7850393	0.09200425	-0.65973985	-0.012632584	-0.029891111	-0.12873706	0.99998254	0.21978307	-0.9645684	-0.14944364	0.99876297	-0.43063673	-0.5979132	-0.9993553	-0.09090803	-0.29270494	0.16844817	0.09334758	-0.61185473	-0.54003805	-0.011766422	0.2873367	-0.19293763	-0.7491386	-0.17699984	0.34362411	0.18671587	-0.37083578	-0.9999731	0.9905703	-0.98039395	-0.13354564	0.3535571	0.39789528	-0.7462919	-0.32248825	-0.53614914	0.6244163	-0.20823608	-0.1479692	-0.8347559	-0.19171312	0.44328624	-0.31386322	0.47523725	0.009180852	0.054205228	-0.92023313	-0.9999222	0.06424426	0.044617224	0.17125393	-0.5257453	-0.053647224	-0.9548752	0.15321627	0.117155254	-0.21893488	0.3523551	0.14416334	-0.5132116	0.9626591	0.27025673	-0.039541416	0.054307256	-0.23931527	0.18207845	-0.65058446	-0.5282188	-0.19071592	-0.22372264	-0.08092985	-0.9496953	-0.1448133	0.007545213	-0.23432666	-0.34850213	-0.57132506	0.24230951	0.6764794	0.25418404	0.37174243	-0.08356078	0.15272784	-0.08721558	-0.31446454	-0.46421486	-0.50512904	0.7725456	0.99964505	0.47176617	0.45803574	0.23593137	-0.171259	-0.18593472	-0.024840385	-0.52318937	0.31170624	-0.7154969	-0.5055762	-0.57515943	-0.15077081
199	1	Oc1ccc2ccccc2c1N=Nc1ccccc1	-0.18552569	0.069982864	0.58054423	0.7670343	-0.049331807	-0.4650254	-0.36847472	0.6631873	0.09082154	-0.6895884	-0.78265506	0.10620957	-0.033929758	-0.52221304	-0.35720098	0.80625516	-0.23971616	-0.37582102	0.2863956	-0.013536873	0.7705667	-0.5395497	0.22911377	0.7711754	0.5420589	0.28210023	0.3365044	0.18518823	0.2012016	-0.58524555	-0.112726465	0.190666	-0.54162866	0.4746695	-0.3973463	-0.13168588	0.6572574	0.15921493	0.988639	-0.96270937	-0.96221983	-0.36936742	-0.08241915	0.022656562	0.38489103	-0.93803453	0.14788866	0.26413384	0.993756	0.027839832	-0.05528671	-0.1370101	0.4510405	-0.54850227	-0.8133512	0.369858	-0.7936139	0.72207683	0.27907157	0.64597726	-0.23491013	0.6364216	0.5638381	-0.26605165	-0.48756343	0.3982385	-0.47318494	0.6853625	0.34282115	0.71142495	0.4411828	-0.24123327	0.24222054	-0.77926815	0.79678744	-0.5494475	0.2502109	-0.7629358	-0.38329598	-0.9878848	-0.7726735	0.5781542	-0.56514037	0.26007664	-0.36490855	-0.9448848	-0.26540217	-0.35790327	-0.16191292	0.31070155	0.7767138	-0.15731077	0.41324362	0.53582674	0.97505033	-0.07598647	-0.05502916	0.10828209	0.10766088	-0.7445507	0.6331517	-0.37304592	-0.17204842	0.8833628	-0.7092162	-0.5074982	-0.42494464	0.57507116	-0.60878336	-0.18362954	-0.6310175	-0.12094305	0.07307585	0.19728199	-0.19885825	0.21378548	0.6472959	0.32894185	0.9960189	-0.5894341	0.28881377	-0.4193694	-0.060710456	0.20355806	-0.74595493	-0.28921008	-0.21057805	0.03484066	-0.20817448	0.9999318	0.30628875	0.21685249	0.004809875	-0.5494193	0.045803543	-0.4622554	0.8089332	0.7857091	-0.46059242	-0.3652403	-0.99998087	0.4931869	0.9788326	0.42132688	0.34506652	0.030138414	-0.13101241	0.44890827	0.31473616	-0.6279605	0.37829727	-0.386315	0.2610032	0.021507189	0.56387633	0.04448538	-0.19247653	0.94235873	-0.760523	-0.69544107	-0.94009024	-0.07686582	-0.2611246	0.5554827	-0.28441387	-0.15049359	-0.5706306	-0.43143106	-0.27551144	0.4153953	0.16735642	-0.44322908	0.7848972	-0.5068789	0.08623656	-0.8416903	-0.8257297	0.5681509	-0.613921	0.03404195	0.66563934	-0.2958646	0.075585335	0.41585055	-0.51445186	-0.3101868	0.6197978	-0.08465957	-0.19353558	-0.10236549	0.09062572	-0.2344607	0.18873219	-0.10943788	-0.41526386	0.4161241	0.474875	-0.056186665	0.33033094	-0.1334572	0.072463766	0.24547082	-0.6261784	0.64148897	-0.10841858	0.47489503	-0.44352075	-0.66285086	0.5825388	-0.99974793	-0.14000845	0.68466264	0.058994144	0.48066446	0.5316262	-0.2269388	0.44344944	-0.1352393	-0.5556099	0.3569559	0.1495875	0.7225987	-0.6192819	-0.008866966	0.9534279	-0.14865892	-0.09513246	0.5969564	0.15485342	0.79576856	0.035184197	-0.508194	0.7029452	-0.80968577	0.39596298	-0.3645837	-0.41611388	-0.541282	-0.17989	0.023648858	0.8818589	-0.18654062	-0.17256719	-0.34513664	0.7746146	0.5478885	0.21161096	0.3916478	-0.72826016	-0.16025555	-0.20280942	-0.7529627	-0.58123696	0.7627568	-0.31398094	0.37103787	-0.17673333	0.5838031	0.40242988	0.3938585	-0.52260983	0.77400047	0.09719855	-0.037827957	0.20813894	0.3936018	0.3361503	-0.56964636	-0.12764762	0.6035572	0.10110114	0.9079924	-0.2682093	-0.45565835	0.7228893	0.90900725	0.3372701	0.58819854	-0.43793517	0.30706626	0.30854416	0.99913085	0.22997041	0.6393798	-0.08254529	0.41827798	-0.011452193	0.5934178	-0.031913087	0.27845323	-0.4920377	0.9934125	0.12178115	0.1437974	-0.5288957	0.44921213	0.9999944	-0.991098	0.11189441	-0.072843224	-0.10028932	0.4832156	-0.707868	-0.067976646	0.31595865	-0.7790176	0.1553107	0.4317092	0.23971523	-0.44639388	0.1347159	-0.6950862	0.4614867	0.30903077	0.83890915	0.44220188	0.584654	0.50284505	-0.98669076	0.19837683	-0.07817263	0.6144915	-0.12894736	-0.89174986	-0.6943925	-0.50003254	0.76476675	-0.96400285	0.15384296	0.6041542	0.4716576	-0.3584405	-0.25596678	-0.7223095	0.5161666	0.87693995	0.26227286	-0.8363922	-0.36601692	0.29548335	0.1844679	0.1281461	-0.3243214	0.5795079	0.018620957	0.030103693	0.005248085	-0.18448631	-0.5308263	-0.05598093	-0.99311477	0.18404785	-0.5298943	0.7471307	0.68309414	0.5851939	-0.18091106	0.9994655	0.07501794	-0.038970243	0.38739663	-0.74321026	0.09238964	-0.082248956	-0.9400943	0.1594784	-0.34571436	-0.6030991	-0.5730521	0.40711594	-0.078791946	-0.19424671	0.51967716	0.67412144	-0.2917366	-0.96120745	0.3091838	0.08363506	-0.30211195	-0.4413802	-0.37727088	0.7142856	0.077040516	-0.07246725	-0.09542691	-0.37696818	-0.015507824	0.67556417	0.55748755	0.8183722	-0.22971593	-0.022879692	-0.70895493	0.47647667	-0.26528668	-0.051085547	0.029417098	-0.30632675	0.1557296	-0.2678629	-0.6764245	0.6889263	0.24999383	0.5320787	-0.06305858	-0.8489374	0.65240383	0.7413822	0.15372077	-0.15949444	0.58551437	-0.12647434	0.16326763	-0.5472472	-0.20262565	-0.2329935	0.9999706	0.02346369	-0.96232426	0.116951466	0.99918383	-0.55652934	-0.2629243	-0.9994905	-0.4025548	-0.3285152	0.4816456	0.14111729	-0.64396363	0.0406033	0.23049535	-0.44101545	-0.19223428	-0.55340636	0.11842784	0.00448876	0.25830323	-0.7517238	-0.9999544	0.99999905	-0.9185814	-0.21957444	0.49997613	0.62527245	-0.55807877	-0.62256134	-0.7136575	0.43547714	-0.44103152	-0.11371341	-0.8570283	-0.5906297	0.12472605	-0.4015635	-0.077906474	-0.30089614	-0.37269378	-0.5880393	-0.9998816	-0.4150375	-0.33393487	0.09394559	-0.35671628	-0.13588259	-0.97995794	0.27816808	-0.49026626	-0.3174266	0.0662899	0.2501535	-0.7343435	0.973194	0.2773417	-0.23644248	-0.22477855	0.29477724	-0.1301581	-0.52972245	0.037074972	-0.41189528	0.1569958	-0.4910712	-0.97661316	0.08302299	-0.1796443	0.31304258	-0.13211347	-0.56685174	0.12582208	0.77977353	-0.08830272	0.4713339	-0.003024583	0.9460101	0.033146724	-0.21046753	-0.32792816	0.37222993	0.5188673	0.9989931	0.8464828	0.14644128	0.05122942	-0.42944825	-0.29598433	-0.005778561	-0.9586876	0.2977977	-0.03419739	-0.40980768	-0.2903229	-0.24132971
200	0	Cc1cc(SC2=C(O)CC(CCc3ccc(N)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO	0.566161	0.045268405	0.6063689	-0.22083355	0.6801529	-0.11456548	-0.02679749	0.37419352	0.6610573	-0.41500822	-0.74244	0.47569206	-0.25246394	0.65388936	0.42677537	-0.71601784	-0.8500053	-0.61768126	-0.28242013	0.4867743	0.33746368	0.64356667	0.23262036	-0.6776281	-0.3501532	0.18876101	-0.20066826	0.49339685	0.620697	-0.035103858	-0.3189855	-0.40186593	0.071999215	0.26766893	0.17542489	0.5727632	-0.5447083	-0.011635857	0.99986863	-0.30021057	0.9346204	0.8045656	0.10036229	0.05948729	0.20400277	0.9874433	-0.55438715	0.6189877	0.71065027	-0.2300469	0.005950045	0.48542166	-0.275802	0.73415065	-0.3050291	-0.3195674	0.25929913	-0.9857622	0.35799158	0.59054446	-0.42025548	0.017536182	-0.03721968	0.58005714	0.15128748	-0.30320224	-0.07317293	0.018603927	0.1370093	0.21661624	-0.8216665	0.67922586	0.39192033	-0.15528342	0.70968896	-0.20071231	0.393348	0.07651902	0.52135223	-0.9930668	-0.6527247	0.42574167	-0.9605919	-0.31396136	0.52376044	-0.9811752	-0.5612336	0.2242234	-0.35969624	-0.39469567	-0.39220583	-0.09672139	-0.44545937	-0.5413744	0.99686277	-0.11179614	0.46261552	0.6995454	0.43494114	-0.32266745	-0.27448538	0.5281569	-0.47844344	0.87110066	-0.999965	-0.3760672	0.006941642	-0.33266118	-0.999966	-0.5031053	-0.3313148	0.44187585	-0.09284213	0.09845729	0.7495515	0.05350566	0.82966965	0.12030849	-0.4510732	-0.41491795	-0.15890212	-0.042095568	0.4688405	-0.046319522	0.10141107	0.12076144	0.26040897	-0.034333475	-0.56624687	0.9999678	-0.6535563	-0.08542737	0.24661802	0.5847798	0.4946806	-0.21750651	0.6265162	0.7575283	-0.6789153	0.29841763	-0.9999991	0.78647023	0.076185696	-0.62077785	-0.092944376	-0.3849424	-0.6258712	-0.7781624	-0.9999249	-0.44908702	0.1575683	-0.79659903	0.6656804	0.0749127	0.6829729	0.46129325	-0.22713614	-0.99890816	-0.9572743	-0.445247	0.88783735	0.51282233	0.38235444	0.048652314	0.061829608	-0.17814463	0.80864763	-0.694634	-0.01805534	-0.5803028	-0.47381577	-0.22006303	-0.21517062	0.0714323	-0.5224483	-0.71501034	-0.0842624	0.4026105	-0.7049162	-0.511538	-0.5563267	-0.9024814	-0.18686691	0.5409334	0.9749918	0.46008685	-0.42045632	0.5102536	-0.15262787	-0.6561723	0.12657526	0.083042406	-0.42480177	0.67202073	-0.730396	-0.22641893	0.7157105	0.13345908	-0.7322201	0.29458517	0.4674429	-0.46372336	-0.45585692	0.46640566	-0.15237096	-0.31277916	-0.4547182	-0.034561366	0.6541958	-0.99990743	-0.3886418	0.2194199	0.27794126	0.08492802	0.3750033	-0.463046	0.1682146	-0.10881059	-0.46041572	-0.3382368	0.14154606	0.38324702	-0.1753543	-0.110822506	0.9999999	-0.13687418	0.227043	-0.14015464	-0.08555259	-0.75560284	-0.13493648	-0.10405216	0.8865536	0.48392412	-0.3299106	-0.286428	-0.115705065	0.5025314	0.037183683	-0.27851003	0.73039716	0.53696215	0.13374767	-0.13086627	-0.45976007	-0.42052084	0.034590025	-0.7198918	-0.3076426	0.2108205	-0.17268582	-0.8230591	0.52365243	0.34571916	0.07118348	-0.84526336	0.40816206	-0.29341257	0.54835033	-0.32925633	-0.4714472	0.7755907	0.39920634	0.061017066	0.47282553	0.08878517	-0.21684086	-0.83480316	-0.97265214	0.41253325	-0.5658023	0.9998331	0.41558895	-0.10932802	0.26050448	-0.23499402	0.15631625	0.26639056	0.5230982	-0.348922	0.5390612	0.25490886	-0.3341782	-0.36509478	-0.5429171	-0.06304563	0.31990123	0.5145187	-0.9760732	-0.41041133	-0.26452893	-0.97885615	-0.10248227	0.3632077	0.027625404	0.18851581	0.99999803	-0.9956147	0.07350367	0.017517945	0.29303056	0.39641008	-0.78875524	-0.7497036	-0.4082766	-0.8827741	-0.99980605	0.62035143	0.852317	-0.4905437	0.23673789	0.18433703	0.2564146	0.011651767	0.3059356	-0.36117655	0.69446754	0.6161965	0.9996262	-0.27744907	-0.117067985	-0.31143278	-0.0698492	-0.7335393	0.012961499	0.36342624	0.2548026	-0.6078611	-0.1841367	-0.06753278	0.4671648	-0.70246345	0.3540644	0.64530915	0.08008915	0.9556313	-0.8451395	0.6294428	-0.3871169	0.0637148	-0.6271889	0.46368065	0.23769414	-0.820226	-0.024614958	0.35762566	0.1392316	0.10578024	0.5888809	-0.99500406	0.7883085	-0.5451824	-0.101877585	-0.789238	-0.32890242	0.612855	-0.28042597	0.9972858	-0.26072124	0.7000839	-0.7482891	-0.22417244	0.276492	0.2548535	-0.95637053	0.29895154	-0.28066674	0.3958421	-0.4128679	0.28199026	-0.38008356	0.35580197	0.68202615	-0.9367417	0.0773411	-0.9918994	-0.17509773	-0.000330894	-0.08988678	-0.001304324	0.27330768	0.42857945	-0.1719911	-0.48256284	-0.8040632	0.7889805	0.17299823	0.20022471	-0.49876133	0.04271591	-0.56455004	0.04331882	-0.33752945	-0.4523666	0.06020715	-0.2576904	-0.2625451	-0.784058	-0.5572359	-0.45770988	0.9129184	-0.455706	-0.5845728	-0.14097281	0.013232163	0.35942674	-0.3169864	-0.8130001	-0.20291793	0.23690124	-0.29262453	0.9595125	0.11554344	0.29261753	-0.5902182	0.031739704	-0.9247354	0.3294367	-0.987963	-0.16835406	0.9928937	0.23706737	0.26633257	-0.8737397	0.65419453	-0.75880283	-0.55820006	-0.70840126	-0.4478298	-0.1024047	-0.105192706	-0.9554955	-0.26141733	0.0728634	-0.626119	-0.34540945	0.71560746	-0.38948542	-0.99600625	0.9999982	0.9435704	-0.76477724	0.13728522	0.050224394	0.13229734	-0.31934935	0.7143701	0.51438874	0.2977471	0.42835325	-0.6684121	0.2774921	-0.31531885	-0.13258061	0.90941066	-0.43382913	0.5999783	0.99868214	-0.95768887	-0.121524975	-0.34538457	0.05337762	-0.35498458	-0.81878394	-0.19351605	0.37432685	-0.59577936	0.076921225	0.14418954	0.2825045	-0.25678703	0.97862875	0.2658194	-0.5341659	-0.06513787	0.5000218	0.15519018	-0.7823389	-0.24671172	0.32123312	-0.34522516	-0.25417602	-0.9996451	0.7801533	0.4840813	0.6385529	0.23941737	-0.2499641	-0.14240263	0.60466	-0.3763222	0.7840229	0.52008784	0.9997259	0.30519855	0.43935642	0.7312908	-0.0317514	0.59295034	0.9989853	0.4420465	-0.24109077	-0.70649815	0.584541	0.47402012	-0.06055283	-0.9995855	-0.57149786	0.566268	0.36841092	0.42555413	-0.62041014
201	0	COc1ccc2sc(C(=O)Nc3nnn[n-]3)c(OC(C)C)c2c1	-0.26135126	-0.16044648	0.015934851	-0.44887647	-0.16236223	0.6788851	0.6065279	-0.24439931	0.36037764	0.2829976	0.45470542	0.07816245	-0.2505223	0.5333124	0.6034519	-0.41505358	-0.16336468	0.23687005	0.081186205	-0.51056707	0.52294004	-0.041230705	-0.24791896	-0.11175713	0.7748743	0.015001609	0.40838084	-0.16300689	-0.6810357	-0.6311538	-0.033985414	-0.25882486	-0.8191753	0.40141615	0.5350104	0.28094777	0.38341603	-0.017804818	0.99859005	-0.28107205	-0.9210562	0.4649166	0.7239927	0.14194497	0.043661755	-0.4222968	-0.26172355	-0.14679198	0.885075	0.043662652	0.2877831	0.23147608	-0.37380448	0.58838147	0.48877668	-0.05201437	-0.6905522	-0.62656355	0.41744652	0.6876757	-0.12538083	0.30757666	-0.23014408	-0.7153218	-0.04598858	0.1376859	0.5903583	-0.50353247	0.15345708	0.2622107	-0.97907114	-0.9980978	-0.123285264	-0.8460472	0.23612155	-0.33748716	-0.41064224	0.014596502	0.43424168	-0.99965733	0.7495838	-0.37734064	-0.96092355	0.4417211	-0.021425439	-0.10860013	-0.02759221	-0.70748746	0.57035035	0.5832927	-0.06149972	-0.87810975	0.2375594	-0.10216555	0.9999207	0.14758106	-0.33743352	-0.29389748	-0.31272393	-0.28418705	0.771107	-0.29929543	0.2712231	0.5859863	-0.989165	-0.98577577	0.6196675	-0.03564142	-0.950431	0.40530875	-0.43951902	0.000900029	-0.6849644	-0.7385367	-0.34322983	-0.23387574	-0.6587742	0.16887508	0.9927214	-0.26115218	0.38198105	0.20189452	-0.5907837	0.4229196	-0.40764737	0.5820621	0.03470278	-0.28475088	-0.350021	0.9847999	0.6634326	0.19634627	0.39471346	0.18754496	-0.14581779	-0.99469656	0.32937863	-0.51464164	0.35643345	0.49986482	-0.9999982	-0.00562779	-0.26787096	0.049445696	-0.095200926	-0.16408141	-0.85158116	0.42769572	-0.878097	-0.11994336	0.60056067	0.23396805	-0.83590496	0.6559086	0.06951554	0.72147065	0.253494	-0.033421878	-0.76316386	-0.15833406	-0.90016216	0.668462	-0.5856877	0.55219835	-0.28645873	0.11480785	-0.44075564	-0.37122494	-0.43243426	0.35878375	0.07400069	-0.11666495	0.61353475	-0.66930455	0.4591801	0.85426015	-0.3569505	-0.26135808	-0.80105567	0.49933872	-0.5390347	-0.9975539	-0.0726304	0.2810898	0.25227648	-0.045922466	0.6254749	-0.31001112	0.121953756	-0.36650753	0.17995234	-0.66520697	-0.5302246	-0.050225496	-0.7445206	0.30771646	-0.07986314	-0.2316464	-0.7869478	-0.41604128	-0.41541675	0.23254965	-0.35487902	-0.25138727	-0.71419984	0.2822279	-0.33231878	-0.12696725	0.546887	-0.9997103	-0.62559193	0.34875432	-0.95219976	0.063850746	0.10251603	-0.6910585	0.29964036	-0.22985026	-0.22439422	0.36074844	0.6122166	0.47608578	0.68423694	-0.52590597	-0.97804177	0.6032388	-0.51473206	0.18241544	-0.36263186	-0.12174196	0.46661198	-0.5627302	0.7638393	-0.051356703	0.041743368	0.019691741	0.3607876	-0.7921641	-0.09192317	-0.28739992	-0.9573244	0.18806279	0.2504749	0.24096933	0.72492313	0.29851526	0.059855994	0.45483398	0.20229612	-0.25659108	0.5867078	-0.81822336	-0.47684446	0.06677657	-0.49741167	-0.31860086	0.59862334	-0.5221774	0.5968129	-0.7134332	-0.11129648	0.54369825	0.26375127	-0.16960333	0.29030186	-0.7246067	0.11197822	-0.13382564	0.97360796	0.4624038	0.6205988	0.9722847	-0.34976906	-0.31252587	-0.44535035	-0.7160854	0.48815456	0.7381824	0.18857001	0.23433644	-0.06555002	0.99665195	-0.10218486	0.20959596	-0.34481692	0.6960057	-0.17052212	-0.16288842	-0.7953441	0.2676863	0.28178695	0.92739666	0.12035935	0.8684479	0.12858157	-0.15623154	0.99999964	-0.6439474	-0.6678491	-0.38656813	-0.07292862	0.690015	-0.5727109	0.23399973	0.9048177	0.17765361	-0.93186426	-0.44913808	0.3507654	0.34231025	-0.42095608	0.15574926	0.20658939	-0.35670495	-0.80450743	0.8230779	-0.49853572	0.5884072	-0.9878924	0.39632598	0.41105804	0.09762651	-0.19675356	-0.71096337	0.80491006	-0.4961552	0.29613695	-0.58000565	-0.30235204	0.45062798	-0.15429862	0.30032116	-0.22846803	-0.6744739	0.69931966	-0.74128723	0.102382556	-0.52112764	-0.32144365	-0.65408313	0.049385775	-0.38636646	-0.44006467	0.09195102	0.4637319	-0.32259133	-0.8146026	-0.21639758	-0.6814983	-0.7965336	-0.86037207	-0.17507657	-0.47655416	-0.17647782	-0.4294544	-0.81004834	0.6852145	0.99969906	0.3440605	-0.19172038	0.23826872	0.476253	0.20403723	-0.04517262	0.54229707	-0.35696524	-0.30646676	-0.029559573	-0.17557076	-0.27524933	0.5602489	-0.17673326	0.3146749	-0.6497687	-0.16672249	-0.9684205	0.28433782	0.3092374	0.5471201	0.3236404	0.118482456	0.16199027	-0.6624664	-0.50700426	-0.23349662	-0.18906982	0.41008896	0.2932428	0.24702834	0.66631234	-0.046759535	0.81412196	0.081718765	0.5900114	-0.73675454	-0.30633155	0.84975386	0.4149632	0.42844632	0.65726453	0.9831159	-0.5830706	0.16063814	0.12852047	0.09471778	-0.08656361	0.52182037	0.9939186	-0.08771214	-0.4166303	-0.40039703	0.43956104	-0.05042331	0.03045308	-0.35451457	-0.20899864	0.99997264	-0.6187221	-0.9700941	-0.24515587	0.9992549	-0.551855	0.057590872	-0.9982608	0.032798532	-0.81680274	0.32972294	0.24396418	-0.6705531	0.061073676	0.19168541	0.7093068	0.12515497	-0.36928946	-0.27459657	-0.29770672	-0.023458244	-0.7735322	-0.9999575	0.9999997	-0.55552053	-0.49367508	-0.19899042	-0.45909297	0.15508302	0.8716177	-0.7572113	-0.6108749	-0.27379018	0.6273937	-0.4181439	0.19811445	-0.25769675	0.014536237	0.7325283	-0.12601614	0.21723251	0.18809555	-0.99985087	0.11690086	0.41024384	-0.12962608	-0.15790698	0.710846	0.7783634	0.6037418	-0.4094074	0.38561356	-0.13637568	0.3894019	-0.568147	0.9928719	0.15333728	0.6065666	-0.39287055	-0.09217305	0.3920108	0.69044566	-0.2565315	-0.05033686	-0.2921119	0.6199188	0.6741633	-0.19424322	-0.30493355	-0.20830852	0.06291496	0.2210596	-0.47398242	0.64637357	-0.0447181	-0.55967027	0.19817436	0.99196756	-0.39379218	0.23641959	-0.32340038	0.20152059	0.34881064	0.99981546	0.28687206	-0.070103265	-0.2623623	0.0911018	0.34127024	-0.42372042	-0.99608874	-0.86928046	-0.43966922	-0.59308964	-0.25924596	-0.7459601
202	1	Cc1nccn1-c1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1	-0.73894656	-0.27715364	-0.17094631	-0.7132069	0.33908787	0.34071675	-0.16569573	-0.14071795	0.13987395	0.40271217	0.11988863	-0.06630824	0.40867877	0.1802152	0.6116016	0.48977563	-0.72431874	-0.11007634	0.2645571	-0.33726317	0.66437054	0.44105688	-0.26941782	0.045090213	-0.47913948	0.8262484	0.038405593	0.75573766	-0.33260825	0.028901245	-0.63771254	-0.3674215	-0.30650434	-0.5049497	-0.6118832	-0.40834194	-0.7897209	0.44012886	0.9993569	-0.18267035	-0.7342197	0.2510908	-0.13578251	-0.06850774	0.41808233	0.4847935	-0.428123	0.8102413	-0.43912524	-0.5230269	-0.019693099	0.6506942	0.23168422	0.45613202	-0.36833602	0.11370206	-0.23309834	-0.8573779	0.22506513	-0.58490354	-0.3758586	0.005179766	0.44530934	-0.36616665	0.2835172	0.46597484	-0.36485243	-0.013005361	0.06729424	0.12969919	-0.947834	-0.9113113	-0.2331827	-0.72980464	0.6160817	0.5210094	0.78176194	0.12188633	0.33974892	-0.9993363	0.21025036	-0.53308845	-0.9693433	-0.8313712	-0.57578975	-0.9246754	-0.58889276	0.59715515	-0.92928654	-0.07619382	-0.17682916	0.1737181	-0.5569192	0.029583503	0.9967509	-0.63572097	0.5140779	-0.66753775	-0.3324155	0.5500995	0.20157887	0.58506197	0.6816628	0.9892032	-0.99890023	-0.49407914	-0.43833107	-0.42836508	-0.9406859	-0.5165562	-0.23702368	0.16733071	0.6185478	0.09629057	-0.43324754	-0.22053085	-0.15120983	-0.5747692	0.8856537	0.38146937	0.2384702	0.7611171	0.42708313	0.257045	0.120303765	-0.26584402	0.16604348	0.030430557	-0.14816196	0.9994548	-0.6062142	-0.008203627	0.56151766	0.67922825	0.504549	-0.97078955	-0.4925476	0.55232686	-0.16906375	-0.008335112	-0.9999996	-0.019816294	0.28083047	0.21202472	-0.20928638	-0.10809309	-0.09487157	-0.30891356	-0.98888123	-0.53769964	0.4954352	-0.61430144	0.07218474	-0.021711413	-0.35625726	-0.11762671	-0.68039787	-0.84805626	-0.3572446	-0.50232136	-0.27775726	-0.61681473	-0.5085014	0.60362697	-0.09207179	0.40569243	0.20227067	0.027111283	-0.5275379	0.35134637	-0.18961638	-0.100028835	-0.34624147	-0.5481423	-0.20925368	-0.815235	0.4916672	0.07076733	-0.37861478	-0.15364823	-0.27701584	-0.9076345	-0.7962478	-0.452983	0.55595005	0.03775283	-0.5879059	0.6268804	0.65706635	0.12178645	-0.153889	-0.3759253	0.4315653	0.24113755	0.06962654	0.5395859	0.11778661	-0.278953	0.32851216	0.20311691	0.7333298	-0.6947513	0.62017375	0.56109655	0.593237	0.13213755	0.54045755	-0.7020805	-0.50114423	-0.9998191	0.3261147	-0.1234007	-0.56762844	0.238716	-0.54607904	0.35906702	-0.31212616	0.37460774	-0.1717825	0.17308247	-0.5521307	-0.38388354	-0.26322544	-0.5173001	0.985703	-0.03123629	0.7603566	0.432287	0.041489888	0.25143552	-0.09565911	0.45567122	-0.39234757	-0.2621271	-0.12848455	-0.3965461	-0.0822418	0.4200781	-0.261446	0.07008794	0.8489175	0.101034984	0.23529178	0.03718877	-0.022618728	-0.25019976	0.0652096	0.19660538	0.43224612	-0.3149108	0.18539587	0.27158558	-0.2857463	0.050033197	0.69437957	0.33297375	-0.28720173	0.5936561	-0.12220405	-0.40908605	0.4115932	-0.34278882	-0.4916762	-0.13955389	-0.31384787	-0.18267581	0.42442796	-0.38704252	0.6708788	0.3559876	-0.4554744	0.9981726	-0.18224199	0.50870514	-0.4234342	0.3588391	0.9202109	-0.77970713	-0.5239569	0.058001116	-0.16857833	0.9833186	0.18358147	0.5695217	-0.23401837	0.5983293	-0.03561008	0.6506371	-0.43187422	-0.45920232	0.46660098	0.18288486	-0.3303245	-0.26411247	0.14767171	0.1335118	0.9999999	-0.97282076	-0.6173762	-0.35128015	-0.40069422	-0.6618175	-0.39865494	0.10981975	0.6110745	-0.29644775	-0.99733496	-0.55614954	0.83664775	0.3222505	0.42067835	0.55371314	-0.5727236	-0.027589263	0.26263672	0.23232082	-0.38069716	-0.47816387	-0.9080831	0.061844	0.39699826	0.1244909	-0.54604185	-0.5778139	0.02590128	0.13839991	0.5162211	-0.5211231	-0.56107646	0.21840021	0.584533	-0.8034559	0.53817344	0.69159746	0.11828606	0.30238295	0.18419497	-0.056375094	0.0954913	-0.718256	-0.32481548	0.07127727	0.5396568	0.0313206	-0.237776	-0.7970105	0.007219959	0.10713487	-0.029450918	-0.95171493	-0.73174685	-0.15308034	-0.42617136	-0.50540286	-0.4144009	-0.17842104	0.21559049	0.999537	0.79432636	-0.7604241	-0.19732721	-0.17432563	0.64040536	0.13517982	-0.7846919	-0.6420495	-0.32058063	-0.58668905	0.2989726	-0.4882008	-0.3182323	0.8299874	0.20818795	-0.7066338	-0.22275735	-0.9999999	-0.72599465	-0.6862937	0.2731331	0.24031514	0.6445786	-0.24035102	0.40511855	-0.51143163	0.15845065	0.46049163	-0.065525964	0.6844198	-0.38314012	0.120252006	-0.29380387	-0.88702476	0.51113725	-0.34241763	0.33564806	0.5537464	0.13555059	-0.31394908	-0.42311975	-0.5029432	0.884403	0.5545204	0.10374054	-0.2998904	0.2690562	-0.6631041	-0.4501153	-0.78598267	0.25531787	0.6260972	-0.07475031	-0.30989704	0.21401358	-0.63851714	-0.44073394	-0.44380748	0.9998496	0.6473316	-0.9462459	-0.26717147	0.9984219	-0.09729061	-0.045230128	-0.998955	0.30471414	-0.71002066	0.55464375	0.117525406	-0.7047201	0.29264495	-0.38560456	-0.24871917	-0.29078716	-0.018573334	0.404516	-0.022680612	0.28309384	-0.48052296	-0.9999148	1	0.7452935	-0.28122532	-0.196262	-0.85971165	-0.19161515	-0.35636297	-0.21410874	0.18646052	0.5909114	0.15368247	-0.91496015	-0.544877	0.3987423	-0.7109485	-0.32708827	-0.10234265	-0.113538496	0.95104474	-0.9991828	-0.07034831	0.35957697	-0.49420047	-0.91895235	0.66531646	-0.71834475	0.7491642	-0.4826234	-0.74479365	0.47668266	-0.14993651	-0.44240808	0.9855962	-0.6208538	0.7926547	0.37429768	-0.014648884	-0.13593154	-0.16303355	0.24684551	0.5659262	-0.5668143	0.043738604	0.15181789	0.60858667	-0.12255536	-0.69140166	0.33380982	-0.5036773	0.35941285	-0.6227036	-0.25067714	-0.1571497	0.47280267	0.999	0.61863196	0.03890702	-0.2007809	-0.20609006	0.37368402	0.999556	-0.024856785	0.4329231	0.40090987	0.48019528	0.6780752	0.03714151	-0.99880165	0.34389463	0.57801056	-0.5949213	0.22945762	0.44076753
203	1	NC(=O)N(O)C1C=CC(Oc2cccc(Oc3ccc(F)cc3)c2)C1	-0.63110846	0.056029804	-0.026419695	-0.118693314	0.1462203	-0.6610656	-0.5759413	0.44671434	-0.48665652	-0.2287456	0.26409462	0.27204657	-0.55203813	-0.67829454	0.24887905	0.3677146	-0.26151654	-0.28662124	-0.002226928	-0.050418925	0.73532563	0.026472488	-0.51559037	-0.65019846	-0.15946724	0.7393822	0.2972635	0.49945006	0.054418534	0.7659807	0.5229509	0.18763612	-0.15167736	-0.032467168	-0.12633714	-0.3059905	-0.28799424	0.2152504	0.9985753	-0.4542406	0.6492652	-0.011341835	0.19455211	0.4178741	-0.39869288	-0.014020506	-0.34105226	-0.17994815	-0.122615956	-0.62556404	0.7420772	-0.4647791	-0.27351686	0.8091927	-0.030601945	-0.32001385	-0.5585164	-0.364936	-0.190364	0.536466	-0.25270516	-0.20776267	-0.24977098	0.27625272	-0.18528631	0.16051055	0.14480148	0.20055665	0.2056403	-0.4115269	-0.7884351	-0.9030794	-0.4971731	-0.014614716	0.4987713	0.71063423	-0.09593915	-0.6543025	-0.5434521	-0.9905999	-0.46382278	-0.73920965	-0.9250556	-0.6391563	-0.49400246	-0.82597226	-0.5470439	0.06560968	-0.5577572	0.2207581	0.25092742	0.78131217	-0.047507428	0.3238158	0.99748033	-0.46242577	-0.22717473	0.15161835	0.22284248	-0.47343838	-0.2925453	-0.6240923	0.002322004	0.99218106	-0.99555254	-0.22302467	0.5658695	0.12881424	-0.9991929	-0.5046087	-0.78899276	0.08405463	0.4729018	-0.11471961	0.49963927	0.07205402	-0.007887691	0.7573286	0.97549987	-0.26664907	-0.60328585	0.7983306	-0.24917798	0.043175418	-0.65258235	0.35165113	0.32358947	-0.87946296	-0.29911664	0.99856114	-0.12735361	0.2126407	-0.060913626	0.38570195	-0.15200475	-0.7278564	0.06283988	0.5608145	0.012303769	-0.6906901	-0.9999986	-0.18866718	0.54709625	0.13708712	0.71714085	0.08571816	-0.23171385	-0.007651431	-0.9664915	-0.7763582	0.38882282	-0.52001834	0.63829714	-0.11871473	-0.3215616	-0.30239907	-0.4912952	-0.23111679	0.033606153	-0.23274969	-0.70051134	-0.3610785	-0.6424839	-0.17012465	-0.13705231	-0.11337639	-0.7917436	-0.20291193	-0.69923	-0.35059455	0.27362093	-0.040112756	0.63406765	0.60877264	0.5986504	-0.89635915	-0.16807185	0.110182926	0.18205278	-0.53544885	0.70555335	-0.9068831	-0.5046251	-0.112224825	0.7765796	0.21221136	0.2943448	0.34289542	0.033293646	0.031688068	0.06890515	-0.39690927	0.52561194	0.6326902	0.35352233	-0.6269282	0.39551273	0.28462848	0.2679072	-0.28081155	-0.058905642	-0.18535507	-0.043281086	-0.50455964	0.5936039	-0.25728384	0.05102956	-0.5508051	0.65531296	-0.9999334	0.5924586	-0.6340328	-0.2808196	-0.34924114	-0.5227949	0.73158664	0.7193309	-0.3948212	0.4880477	-0.2553001	0.6628074	0.51666003	-0.65106726	0.0866604	0.99997157	0.17000906	0.16047214	0.5393042	0.70057106	0.44232342	-0.5438896	-0.2271574	-0.30940098	-0.44156578	0.41077808	0.013290973	-0.25597212	-0.44545466	-0.091779575	-0.022669353	0.8449362	0.6273856	-0.3504599	-0.38640445	0.5377364	0.10358259	0.613622	0.5024654	-0.21541972	-0.6022363	0.10517402	-0.7345577	0.36940047	0.83285487	0.61393404	0.7585676	-0.81014425	0.57584065	-0.4482652	0.44417432	-0.15133885	-0.7830912	0.052204724	-0.3425103	0.30658892	-0.07716159	-0.15024954	0.4946597	-0.480888	0.17198677	-0.47294632	0.9996864	0.57442814	0.3947331	-0.06910812	0.7977134	0.35835603	-0.36252365	-0.7275806	0.36049727	0.2312869	0.99552923	0.29867166	0.22410055	-0.4767941	0.001318175	-0.14001894	-0.16083246	-0.93841463	0.16721459	0.42725405	0.8323194	0.055222407	-0.36967954	-0.71016985	0.29230747	0.9999988	-0.9475054	-0.004103089	0.4669649	0.15493852	-0.152375	-0.39488387	-0.48629835	0.035501495	-0.36818725	-0.9775352	0.33725226	0.83454376	0.18189433	-0.1591779	0.7591268	-0.20687382	-0.60019153	0.31273213	0.035928026	0.5595251	-0.6680398	0.94261044	0.28782728	0.24150953	-0.035643738	-0.011482774	-0.82488286	0.33129302	0.49558896	-0.06387454	-0.3646851	-0.5738421	0.28708097	-0.62462217	-0.76448804	-0.20568639	0.6651143	-0.33748052	0.006878379	-0.1089188	-0.23639068	0.36785445	0.45387337	-0.17950314	0.336801	-0.34318787	0.5689993	-0.4047104	-0.57652736	-0.4573328	-0.061989374	0.3069834	-0.89844215	-0.8908924	0.20283543	0.5973641	-0.03679263	-0.3745817	0.43570763	0.46178105	0.99973863	0.62207085	0.3773867	-0.33263692	0.5270892	0.4977955	0.05491292	-0.909545	-0.20813785	0.2336796	-0.32989034	-0.62930495	-0.05061453	0.0863198	0.6850412	-0.27222657	-0.24895437	0.054036766	-0.9827071	-0.61365724	-0.60641277	0.053744227	-0.33295825	0.17741539	-0.42151833	0.37002406	-0.39550236	0.30723086	0.359334	-0.25283903	0.4697962	0.7157622	-0.7014313	-0.62115884	0.51709354	0.34287962	-0.3874271	0.7180398	0.29624137	0.14168072	-0.030537965	-0.5204421	-0.09968978	0.87760764	0.30218145	0.07520171	-0.48324838	-0.5552964	0.06651092	-0.31262824	-0.7702741	-0.5886624	-0.39487836	-0.34331605	-0.49244827	0.1997227	0.34223628	0.12167621	0.24279222	0.9012488	0.045299355	-0.97290707	0.24980186	0.9997186	-0.5771619	-0.060393795	-0.9821125	-0.15587467	-0.75096697	0.12646325	0.20897722	-0.3153089	-0.1832283	0.17757018	-0.39538476	0.37895483	-0.31495485	0.014103983	0.16489346	0.59731203	0.37263343	-0.99998313	0.99999946	0.24411319	-0.47627333	0.37795547	-0.82117444	-0.78257954	-0.43958893	0.48694196	0.107109934	-0.40517852	0.17280862	-0.84083736	-0.5055843	-0.1219789	0.07203149	0.43599722	0.08539781	-0.013838137	0.7361382	-0.99974406	0.053949766	-0.27540338	-0.66855294	-0.110532194	-0.5941337	-0.54734415	0.15050921	-0.14557537	0.33814353	-0.5088187	-0.30319032	0.6603942	0.92327875	-0.13069125	0.67215616	0.5156725	-0.4760111	-0.09885637	-0.7089706	-0.19162405	-0.52114266	-0.24163805	-0.1684751	-0.9913171	-0.3324479	0.454749	0.05989569	0.2897192	-0.37432024	0.79135704	-0.33093625	-0.3802024	-0.031265564	-0.7488504	0.99726325	-0.38430485	0.2239607	-0.3046561	-0.01767944	0.49409157	0.99992347	-0.06820489	0.56112516	0.53300047	-0.3005899	-0.7033755	-0.30335268	-0.9978125	0.6048276	-0.39462036	-0.40954053	0.08494064	-0.025886301
204	0	CC(Cc1ccc(OCC(=O)O)cc1)NCC(O)c1csc(C(F)(F)F)n1	-0.7647923	0.19885385	-0.22434928	-0.53450155	0.038657833	-0.4272966	0.22475554	-0.31199798	0.35228032	-0.1896709	0.08438176	-0.3372311	-0.7158093	0.4546088	0.022520918	-0.112453826	-0.3892031	-0.29334643	0.046251062	0.062867805	-0.5452052	-0.05220575	0.055817187	0.22185118	-0.10546882	0.04129444	-0.3666957	-0.3319664	0.32266003	0.019621572	-0.30402008	-0.49740353	0.33588067	0.16025294	-0.12740347	-0.13177027	0.22865817	0.1829006	0.9988758	0.06348636	0.38200083	-0.30547428	0.18944162	0.022402909	-0.19116196	0.2659767	0.24771766	-0.06860895	-0.9289234	-0.61434084	0.8494335	0.39270946	-0.76149094	-0.7707695	0.7222565	0.40548873	0.006209351	-0.6080554	0.6560253	-0.69047266	-0.44802937	-0.4127142	0.336045	0.08393987	-0.27026337	-0.4055393	-0.5560236	-0.69001967	-0.2503811	0.43059638	-0.9987508	-0.9793551	-0.4603325	-0.32012144	-0.25931942	-0.4934795	-0.15461706	0.23596272	-0.88410354	-0.9993359	-0.6376432	0.043555375	-0.9496245	-0.19468123	0.33898792	-0.85635495	0.087627105	0.6150865	0.37659684	-0.4269367	-0.021750592	0.5405349	0.29672995	0.70762575	0.99962044	-0.11689925	0.20604885	-0.029797558	-0.59255564	0.72895926	0.6062935	-0.09302695	-0.57404447	0.99271476	-0.997287	-0.8994309	0.16029628	0.41862056	-0.9999985	0.22823976	-0.2722815	-0.5184288	-0.61652035	-0.14151707	0.10352102	0.82613564	-0.47649845	0.6932802	0.9434512	0.7832908	-0.5084366	0.49005857	0.13448097	-0.39666167	-0.5303115	0.17788748	-0.22995007	-0.21671008	-0.47362623	0.992157	0.21906348	0.18424293	0.4000598	0.2903473	-0.384387	-0.9472769	-0.852107	0.48317367	-0.53479594	0.81877357	-0.9999962	0.07714385	0.12784952	0.40667328	0.07307307	0.4115794	-0.319545	-0.4823471	-0.9729705	0.9146027	0.23731466	0.72124994	0.46485436	-0.5945732	0.15060557	0.26795992	-0.124683775	-0.64019823	-0.6993433	0.8740504	-0.43743116	0.20501386	0.6143647	-0.5773648	-0.34878495	-0.11467072	0.06476886	0.8270842	0.24121554	-0.10312718	0.7358726	0.20459937	0.6926877	0.5678131	-0.011529816	-0.6013245	-0.5797453	-0.88033473	-0.6496002	0.10307238	0.07805986	-0.9381862	0.061038338	0.5154655	0.74769795	0.75234604	0.18929759	-0.067625634	0.028686708	-0.0926753	-0.7555513	0.6688842	0.3555974	0.16385877	0.6040226	0.50601923	0.037290897	0.3443258	-0.024812037	0.1431887	0.41270965	-0.30704278	-0.21338485	0.5694817	0.09600958	-0.14451332	-0.028417997	-0.3056831	-0.17975903	-0.99988353	-0.37580043	0.68719596	-0.40886882	-0.012350698	0.33958495	-0.16053647	-0.4749379	0.42419717	-0.09991666	0.1978223	-0.24851207	-0.40497622	0.016432432	-0.6182331	0.9999706	0.12798284	-0.37941113	0.04301124	-0.50243145	-0.04113774	0.07452566	-0.24034703	-0.03286809	0.09167362	0.09326449	0.016477901	0.13020413	0.39700368	0.52041596	-0.030440269	0.91577756	0.2986922	-0.5473066	0.12719102	0.15377992	0.003319352	-0.11249494	0.27620733	0.119695805	0.6378507	-0.68458146	-0.9856928	-0.38016298	0.32049823	0.65809476	-0.20392795	0.32251617	0.056413114	-0.16178031	0.011528617	-0.11314561	0.3974312	-0.33792704	0.38109404	0.1223158	-0.15432295	-0.021708516	0.7370779	-0.4698121	0.076640174	-0.66663176	0.9976012	0.62704706	0.33976358	-0.055951957	0.32697773	0.19057016	0.07288398	0.58592093	0.20401683	0.31956416	0.9887862	-0.7208589	0.09092895	-0.07892884	0.571726	-0.26797065	-0.67288154	-0.9917362	-0.68915915	0.49380156	0.56177163	-0.36733258	-0.59593695	-0.33377662	-0.19266	0.9999923	-0.8812226	0.53056306	0.18292746	-0.17621699	-0.57756424	-0.3964315	-0.049620878	0.49806684	0.21401843	-0.99579334	-0.036059115	0.9225347	-0.3917125	0.6312384	-0.14575605	0.057723258	0.06298608	0.006261207	0.30185756	-0.45779702	0.81476307	0.99995834	-0.2673788	0.022238735	-0.48666367	-0.29667187	-0.7041904	-0.02501974	-0.0706066	0.08530572	-0.47385135	-0.42103732	-0.55800605	0.2655378	0.65348184	0.32821757	-0.5949987	-0.42453107	-0.49986735	-0.4875505	-0.3006015	-0.34967437	-0.530323	-0.6911213	0.32927692	-0.093781516	-0.26911867	0.014777426	0.058751084	-0.20741025	-0.16415563	-0.062510416	-0.9133374	-0.75373447	-0.5133946	-0.8125614	0.29483587	-0.20622182	-0.48139444	-0.18297765	0.9998898	-0.5723489	0.35266408	-0.39811608	0.41533554	-0.07450136	-0.47468936	-0.067027636	0.16304462	0.056644708	-0.35272405	0.59502625	-0.6707311	0.2782388	-0.39397672	-0.81966865	-0.71577173	0.052532386	0.9879747	0.074501954	0.6938045	0.29743922	-0.38772392	0.6897535	-0.048542157	0.22009839	0.53107196	-0.037697274	-0.6066934	0.80162627	-0.116751894	-0.057103064	0.07131037	0.14124733	0.7607514	-0.56744266	0.053419817	0.3067452	-0.17205091	0.09384957	0.6061463	-0.8874642	-0.27485052	0.96043605	0.18496197	-0.6113506	-0.22903676	-0.69787693	0.14279214	-0.4766036	-0.5371716	0.38985756	0.21230869	-0.22765906	0.10215857	0.010511565	-0.44123012	0.708855	0.44442767	-0.9708079	-0.09276713	-0.94021356	0.198598	0.998741	-0.4419034	0.39107418	-0.7265173	0.63794076	-0.82039213	-0.8024909	-0.3244786	0.121348366	0.68894917	-0.613323	-0.153326	0.38505945	0.78434867	-0.000384232	0.4710595	0.27208024	0.29009947	-0.99994075	0.998014	0.6986228	0.19145158	-0.104304664	0.10680963	-0.07052074	-0.14684935	0.43872193	-0.38714194	-0.44646484	-0.033978004	-0.009530943	0.016640976	0.26684374	0.7076968	0.5358854	0.33388793	-0.25360686	0.9273826	-0.9990967	0.6541026	-0.1484745	-0.53682387	0.040921412	-0.6397122	-0.17728452	0.6924615	-0.7618329	-0.003040641	-0.31292072	-0.6100898	-0.39132014	0.98888075	0.003515996	0.75058675	-0.026803048	-0.109888114	0.37167937	-0.7002568	0.7770479	-0.6297744	-0.11634524	0.51445174	0.67009604	-0.018526277	-0.57706183	0.5800934	0.7431914	0.12020184	0.62776875	0.6589615	-0.8503549	0.3013396	-0.1576076	0.9986886	-0.56225616	-0.4482956	0.24795409	0.02251663	0.31766182	0.9999938	0.4032928	-0.10604742	-0.2580948	-0.50926673	-0.16581951	0.26201805	-0.9976331	0.28800672	0.5116484	-0.43136603	-0.19979039	-0.5407676
205	1	COc1ccc(OC(F)(F)F)cc1CNC1CCCNC1c1ccccc1	-0.6335941	-0.091844045	0.54937404	-0.044311155	-0.3440241	-0.22002384	-0.10987794	0.5979824	-0.13923895	0.23941177	0.32078838	-0.05979686	-0.2355005	-0.1312286	-0.031580634	-0.18183973	-0.64419377	0.5532566	-0.3437033	0.30911925	-0.67895764	-0.19828552	0.12267854	0.78579736	-0.42507038	0.2464472	0.5961537	-0.43821266	0.6077621	-0.46006924	0.29758283	-0.01901687	-0.19286285	-0.021901943	0.25990742	0.253711	0.63120806	-0.050411012	0.99905306	-0.7235035	-0.50478894	0.49892908	-0.5361686	0.21764205	-0.45146275	-0.06718625	-0.27094382	-0.14650734	-0.764306	-0.14834966	0.8042053	-0.38546494	-0.4840232	0.0657217	-0.43690744	-0.13171236	-0.20943855	-0.5389197	0.38352954	-0.044441618	-0.32265288	0.8335484	0.24614273	-0.37492383	-0.24375592	0.19649905	-0.23950697	0.3604395	-0.40830988	-0.19153894	-0.9650637	-0.8077074	-0.6416148	0.032130945	0.66178423	-0.8313612	-0.14342831	-0.43896493	-0.6844732	-0.9965431	-0.577977	0.26514465	-0.91570395	-0.6058722	0.19406156	-0.96995896	-0.48538435	0.11221367	0.15469852	-0.009029228	0.57896656	-0.4992518	-0.10172083	-0.1608453	0.9926875	-0.28220156	0.69173443	-0.6195425	-0.7853875	-0.33714187	0.77174157	-0.091926366	-0.18568522	0.96948814	-0.9968865	-0.070409395	0.40326166	0.61084366	-0.99958414	-0.21714754	-0.16608445	-0.06128021	-0.18395199	-0.55685425	-0.17077541	0.85526776	0.61990917	0.711241	0.9540031	0.7782126	-0.060952894	0.35349014	0.68050426	-0.01468776	0.13837375	-0.071112715	-0.025657296	-0.1695183	-0.4450381	0.99986696	-0.12961043	0.17138113	0.2180834	-0.59183395	-0.60608613	-0.99221826	0.34677193	0.71994746	-0.78517747	0.7834907	-0.9999985	-0.71604645	0.8606588	0.19067892	0.2746262	-0.44921193	-0.34129068	0.09056164	-0.94840556	0.41763636	0.41029504	0.7639798	0.56637037	-0.18787779	-0.25775334	0.28825587	-0.34532836	-0.40720183	-0.7768238	0.97269297	-0.46384445	0.30086645	-0.16057448	0.3714061	-0.4409551	-0.77943313	-0.20874022	-0.4238573	0.5667578	0.24264231	0.70740646	-0.52039784	-0.18626925	0.37225956	-0.23064564	-0.9523871	0.27381286	0.41480806	-0.7822132	0.6545079	0.37438735	0.06848041	-0.3035194	-0.6267665	0.59680486	-0.38668683	0.807731	0.39698523	0.042625926	-0.12928538	-0.4776704	0.5693704	0.47760358	0.7188556	-0.32516026	0.030944457	0.40885195	-0.66280806	0.9073874	-0.3148158	0.06399524	0.023071108	-0.19602622	0.13139762	-0.47186574	-0.14744075	0.08811599	-0.7176532	-0.1306813	-0.9999489	-0.5389656	0.8489974	0.114352666	-0.23201247	0.11099968	-0.22765471	-0.7127979	0.001638917	-0.6314346	0.42945018	-0.20041844	0.02318426	-0.5125969	-0.68378985	-0.92655104	0.24602826	0.5701488	0.04411866	-0.36427101	0.112445116	-0.31706002	-0.06128728	0.57761264	-0.28792664	0.5453519	0.51787305	-0.49126184	0.72007614	0.55200464	0.06514647	0.9098727	-0.16656077	0.29932415	0.5525045	0.02577778	-0.26515064	0.25727847	-0.017767642	-0.44149247	-0.3009975	-0.90223694	-0.6977787	0.08118984	-0.43522912	0.38670495	-0.09446589	-0.44548765	0.5952208	-0.02410125	-0.4694432	-0.6763919	0.16378714	0.31367505	0.051497232	-0.19924863	-0.40431166	-0.2007107	-0.15744498	-0.9769301	0.006394313	-0.7448328	0.99034727	0.32778743	0.22841708	0.34992468	-0.36782953	0.39217505	0.70546824	0.5507083	-0.11421836	-0.5646606	0.991494	0.14123683	-0.11290038	-0.5224786	0.70195675	-0.30005634	0.47386837	-0.78469974	-0.4217708	0.0555722	0.7604971	-0.3555047	-0.16024226	-0.2941791	0.012627223	0.9999995	-0.9924285	-0.043461252	-0.015247885	0.09452853	-0.82130826	0.24309766	0.386775	-0.09323309	-0.36613247	-0.99125206	0.29876706	0.8138745	0.5644036	-0.19400671	-0.3531071	-0.045524925	0.7135192	0.90588933	-0.16946597	-0.2614564	0.8038071	0.9489523	0.28836164	0.3227794	0.34495634	0.48839083	-0.8710847	-0.3204006	0.3183028	0.44366875	-0.9149351	-0.4915695	0.33025643	-0.35470024	0.32162943	-0.16556889	-0.37655413	0.57284087	0.64152825	-0.21120268	-0.31265438	-0.081248224	0.18141355	0.49363342	-0.18967137	0.15782192	0.04711828	0.7934243	-0.17203942	0.120717004	-0.15363362	-0.32489812	-0.8593484	-0.8871088	0.46726018	-0.43267903	0.30091903	-0.3839658	0.45560175	0.107032716	0.9996428	-0.0653252	-0.44693655	0.13458619	-0.27055246	-0.0776182	-0.35040897	-0.7539802	-0.14488986	0.15509833	-0.67510647	-0.12228109	0.34920806	0.7702267	-0.3866909	-0.011583505	-0.14213498	0.35042027	-0.99169546	-0.2402663	0.4728541	-0.16787457	0.11688807	0.5997326	-0.5356245	0.59662676	-0.14158891	-0.540866	-0.6359937	-0.5181047	0.7929746	-0.12687458	-0.5421715	0.31356612	0.0750905	-0.38294724	0.5473993	0.49448127	-0.3268426	0.044222534	-0.51921004	-0.43723813	-0.39503935	0.30941877	0.5925278	0.43036875	0.37099466	-0.16752276	-0.6685352	0.4882941	-0.783265	0.58249533	-0.21933445	-0.34307966	0.19986905	-0.36366943	0.2324336	0.6601751	0.092036545	0.9311724	-0.2797934	-0.9362762	0.03240707	0.99767375	0.22826143	0.23656607	-0.9752793	0.5076954	-0.7248189	-0.09737252	-0.5940112	-0.13216935	-0.44499272	0.025591753	-0.622026	-0.31068182	-0.40462533	0.6179284	-0.3795538	-0.390406	-0.71550244	-0.99990374	0.99999905	0.41313505	-0.23159294	-0.5574307	-0.10486814	0.35319224	-0.71881557	-0.003717785	-0.56148195	0.5357451	-0.18997736	-0.6718379	0.18550143	0.3724294	0.07296828	0.10614722	-0.1069593	0.02586426	0.9159072	-0.99921083	0.020605946	-0.20577186	-0.58332413	0.03236606	-0.3705067	-0.9691922	0.016203973	0.006022961	0.055899464	-0.63227195	-0.11319356	-0.6846741	0.9107779	0.5184831	0.8308404	0.3800342	0.45881486	0.10463886	-0.7573494	0.6771328	-0.014037503	0.17101835	-0.28059632	0.13306326	-0.09050631	-0.036176413	0.24872564	-0.1580401	-0.57891655	-0.59278995	-0.5325469	-0.14407218	0.5511669	0.31362662	0.99875456	0.48668355	-0.40003118	0.17103572	0.40958643	-0.18262708	0.99923277	0.70797604	-0.6186879	-0.27290428	0.31339806	-0.7315465	-0.4566846	-0.99768096	0.5620674	0.5338921	-0.23667865	-0.13057008	0.2208067
206	0	Oc1ccc2c(c1)OCC(N1CCC(O)(c3ccc(F)cc3)CC1)C2O	-0.5200411	-0.097885355	0.5467797	-0.16615164	0.8591552	0.19835341	-0.1630241	-0.27302882	-0.2112425	0.30687118	-0.24627209	-0.0786954	0.044071674	-0.5843341	0.06562548	0.42352337	-0.53232414	-0.24799694	-0.08736398	0.004715892	-0.27440095	-0.2832255	0.7146827	0.14763728	0.4388932	-0.018822633	-0.5511384	0.67280805	0.46395445	-0.70776874	-0.25978383	-0.6516472	-0.09574477	0.47331595	-0.28687903	0.5110061	-0.4894036	0.30313075	0.9990569	-0.5245059	0.62035465	-0.026343608	-0.15133971	-0.14469865	0.28580937	-0.04730107	0.11842636	-0.45882344	-0.8061289	-0.056041252	0.2866188	0.14398187	0.35651448	-0.1035501	0.08407145	-0.24376968	0.019467833	-0.6114103	0.35055423	0.07776924	0.23980479	-0.42069376	0.63270646	0.47010097	-0.52539134	0.26853547	-0.15016101	-0.22061591	-0.15593787	0.72605926	-0.98933285	-0.9660376	0.08245499	0.55855644	0.3974919	-0.06747489	0.19418785	0.6504606	0.13536376	-0.9471226	-0.9010021	0.3816724	-0.86904263	-0.13772514	0.13576382	-0.85134685	-0.5519447	-0.75058144	-0.46551913	-0.29671648	0.36757803	0.008363381	0.10134387	-0.37890708	0.99778295	-0.086410634	0.11319608	0.12219222	0.42243442	0.08192314	-0.74348575	-0.36741024	0.028630408	0.9932248	-0.9962827	-0.2541824	-0.14912751	0.40365902	-0.99999315	-0.59459865	-0.23938434	-0.46101806	-0.30766344	-0.34409782	0.6413409	0.6642094	0.4764839	0.65929145	0.9599138	0.45602238	-0.8321497	0.58493304	0.34353432	-0.25376433	-0.20593785	0.55072534	-0.5631728	-0.4112886	-0.6270188	0.9992273	-0.11997692	-0.13574463	0.062169325	-0.63695294	-0.55049694	0.30395907	0.18949993	0.6093561	0.19985928	-0.7094155	-0.9999994	-0.15704525	0.6615037	0.20173335	0.68235296	0.2779065	-0.48109633	-0.57072794	-0.9674071	0.062209826	0.7606278	0.09583108	0.43404037	-0.04964912	0.073528424	0.5033121	0.506723	-0.5589698	-0.5527134	0.21564993	-0.54587126	-0.48271048	0.3061374	-0.6697413	0.36503014	0.2211183	-0.4338699	-0.008907038	0.29721078	-0.2748236	-0.3088148	0.16853473	0.17576708	-0.19318631	0.054499738	-0.89087343	0.7869357	0.026099473	-0.6695473	0.43920085	0.43509072	-0.6423218	0.073102035	-0.028615097	0.8278083	-0.030109726	-0.025946781	-0.10598953	-0.123760745	0.46975425	-0.16476488	0.3340723	0.2572388	-0.092971854	-0.56713885	0.13967426	0.1850897	0.32733846	0.041277803	-0.36569023	-0.6996055	0.53329104	-0.2801883	0.30164355	-0.010571215	-0.18362857	0.80745906	-0.001007104	-0.2510516	-0.9999267	-0.6182703	0.4432733	0.03829822	-0.15824655	0.19504327	-0.07479536	0.60324895	0.5553546	0.26006225	0.47342044	0.2775447	0.28261337	-0.10283221	-0.3896271	0.9999999	-0.37008646	-0.019031497	0.5362126	0.54210913	-0.084783226	-0.2860948	0.21411881	0.21396962	0.04325731	0.024012849	0.35448787	-0.5183887	0.38462517	-0.036135882	0.62076896	0.8783385	-0.35572034	-0.27166453	-0.2430135	-0.3296914	-0.21755202	0.036576603	0.26630384	0.05256577	-0.35196897	-0.64307433	0.17430364	-0.81517476	0.063468225	0.5111107	0.39485064	-0.16712208	0.30537322	0.34865266	0.26517072	-0.4982803	0.52793384	0.11716816	-0.41444594	0.5131161	0.2982277	0.13921337	0.47180122	-0.9530398	0.5819631	-0.30156046	0.9987969	0.4645104	0.12973414	-0.38703725	0.866394	0.17863354	0.14126854	0.034546852	-0.5084083	-0.05693981	0.99447185	-0.17782256	0.1609718	0.014384558	-0.73066056	-0.10287186	-0.49133125	-0.9557579	-0.17414637	-0.33451083	0.71200144	-0.58702403	-0.7233092	-0.47070453	0.6976044	0.9999996	-0.9170359	0.39522702	-0.16696055	-0.09037063	-0.53805834	0.31356403	0.1649502	-0.5637236	-0.7028652	-0.99009955	-0.5049565	0.766795	0.646763	0.48994014	0.091528386	0.40410182	-0.18712889	0.5699354	0.4550635	0.29243368	0.37992153	0.99952024	0.15770973	-0.26671478	0.10845217	0.48734853	-0.22079411	0.028136933	0.028015042	-0.37101483	-0.17528842	-0.87790054	0.49545255	0.20038322	-0.6149827	-0.20209953	-0.5605484	0.3548557	-0.2795637	-0.4726171	0.12862724	-0.4046857	0.017360957	-0.43071923	0.07854473	0.8081865	-0.25144264	-0.001562788	0.25136292	0.10333771	-0.3469363	-0.039614666	-0.89796394	-0.8304784	-0.058889307	-0.4643232	-0.14236334	0.43396762	0.37463856	-0.07686013	0.9999377	-0.56515014	0.3117023	-0.15381256	0.22415502	0.38137257	0.25239125	-0.71675974	0.09043905	-0.08701076	0.35895184	-0.11605367	0.5688682	0.049938545	0.17369436	0.3569988	-0.25185332	0.13276862	-0.99999994	0.57021564	-0.22882748	-0.010856734	-0.3022127	0.7345806	-0.08205712	0.029189048	-0.39600554	-0.40616244	0.12614447	0.40542606	0.21484041	0.030556107	-0.9498351	0.38100907	0.2158569	-0.23905729	0.25002867	0.69918776	0.689609	0.31929433	0.3134332	-0.34057173	-0.42885563	0.77814645	0.6614758	-0.37138608	-0.18665202	-0.007768084	-0.61148244	0.008024501	-0.91793627	-0.43229648	0.5332263	-0.34344274	-0.27069813	0.4441095	-0.29334435	0.7823348	-0.3475838	-0.80177	-0.21389638	-0.9890613	-0.105961196	0.9992919	-0.5382283	-0.18431666	-0.676752	-0.13838719	-0.51458585	-0.4955464	0.035218794	-0.7365763	0.55719465	-0.3401945	-0.22952195	-0.3916199	-0.00498109	0.09706797	-0.07646461	-0.38320652	-0.008000146	-0.9999617	1	0.39756304	-0.2277005	-0.22019672	0.6813206	-0.3697463	-0.9436457	0.031609368	0.47959813	-0.3762604	-0.44260952	-0.3971663	-0.15954827	0.17512351	0.20981824	0.79054815	-0.15076014	0.18079585	0.82270885	-0.99965984	0.6130944	-0.22359212	-0.16830036	0.14316124	-0.5418336	-0.6334125	0.1281461	-0.6736283	-0.49115747	0.55795103	-0.7848128	-0.72289085	0.82527834	0.17522676	0.83468515	0.25631365	0.878046	-0.17562515	-0.8713407	-0.46394673	0.061067145	-0.08924606	-0.28869444	-0.4913579	0.2075149	-0.6906006	0.5854368	0.44428292	-0.67427754	0.38303348	-0.43245196	-0.5089546	0.45001093	0.27745706	0.99794996	0.2204977	-0.6562027	-0.13324659	0.52461964	0.765426	0.99965644	0.3979718	0.6185815	0.5596624	-0.5402898	-0.27061063	0.34254605	-0.998009	-0.04534972	0.07181976	-0.29453787	0.3547641	-0.19235623
207	1	CCc1nn(C2CCCCC2)c2cc(C3(C#N)CCC(C(=O)O)CC3)ccc12	-0.84869784	0.45683652	-0.16236024	-0.84896296	0.21982539	-0.16887856	0.67817557	0.14250012	0.10554772	0.3137624	0.10527287	-0.22426271	0.07092126	0.04106894	-0.42398712	0.5064813	-0.5441011	0.1306649	-0.2483883	-0.4488752	0.7239196	0.58882415	-0.11734128	0.06790352	0.09913824	0.22870237	0.57525426	0.050659854	0.1294153	0.66215026	-0.26473883	0.32847342	-0.13193455	0.15330929	0.29524922	-0.6340804	-0.4250251	-0.034356862	0.99966455	-0.38870272	0.10784708	-0.32957432	-0.12215234	0.4643705	0.37183526	0.63934124	-0.16909051	0.46522853	0.08944296	-0.21047689	-0.10269412	0.6276267	0.24683233	0.52049744	-0.67142606	0.5769803	0.064760774	-0.83243966	0.087763906	-0.73188466	0.6561018	0.462875	0.55409425	-0.4516506	0.4910333	0.2031959	-0.40196466	0.3974472	-0.21106903	0.057936355	-0.9449477	0.16556582	-0.3713076	-0.43286598	0.7162235	0.37231323	-0.053132374	-0.29035404	-0.24432926	-0.9993863	0.13344991	-0.10555022	-0.9378109	0.29915002	-0.19052108	-0.97421306	0.25200245	0.74589795	-0.7507685	-0.1940271	0.05108745	0.6292692	-0.8745816	0.22519183	0.99803126	-0.25181192	0.71399254	0.14020859	-0.50525284	-0.010952273	0.40248603	0.4496427	0.2672377	0.9123068	-0.99938864	-0.55136687	0.007153091	-0.63776606	-0.96919876	-0.69433653	-0.10755007	-0.78485876	0.29393613	0.8520302	0.47554854	-0.3936342	-0.26190576	0.449298	0.8636527	0.29066876	0.43708235	0.44299564	0.055683386	-0.18301655	-0.24811055	0.047508728	0.06825115	0.28260756	-0.16667236	0.9999611	-0.9241471	0.41985303	0.31970003	-0.2485265	-0.29163492	-0.9680093	0.3175997	-0.08633487	0.0957451	-0.3160421	-0.9999988	0.60322434	0.28957242	-0.28333822	-0.2522338	-0.57345146	-0.096401095	-0.019944632	-0.9953562	0.06612651	-0.461787	-0.5623291	0.78965074	0.8024004	-0.62146527	0.003806621	-0.083708294	-0.9403614	-0.3385099	-0.70005745	-0.18929428	-0.40148643	0.037029795	-0.31894496	-0.40539327	-0.18604013	-0.2702792	-0.75742644	-0.3232317	0.41201577	-0.5514038	-0.63908046	-0.24565372	0.055477787	0.8004938	-0.6888668	0.94420487	0.6754313	-0.22030541	-0.45778722	0.07381733	-0.96064806	-0.5287448	0.06793019	0.77367234	0.05024006	-0.00069382	-0.0295057	0.25312993	0.3912797	-0.095345825	-0.3755398	0.45261586	-0.16871786	-0.5418197	0.4077714	-0.36267826	0.006136884	-0.07391953	0.79816383	-0.17182435	0.38037297	0.36611533	0.4453118	-0.064395316	0.5281663	0.0799813	-0.33225057	-0.73649395	-0.999937	0.45477083	-0.4093747	0.23045696	-0.4314247	0.1444331	0.2355557	-0.84085	0.2263363	-0.44489625	-0.5445934	-0.12616676	-0.57695717	-0.45011118	0.42599612	0.9927496	-0.1513076	0.38515088	0.08835036	0.32274935	-0.0843435	-0.27650836	-0.43318313	0.5015081	0.73816705	-0.24398738	-0.2216372	-0.80118245	0.3440485	-0.8687164	-0.24585992	0.895046	0.61050487	0.66458344	0.17140552	-0.76691467	-0.60423136	-0.53500265	-0.17619644	-0.614646	-0.5107698	0.103761986	0.014251859	-0.18307717	0.17687288	-0.4636638	0.25202763	0.6597899	0.26806948	0.1191152	-0.38649523	0.33894262	0.76609516	-0.35950652	-0.4696445	0.14286312	0.22167172	0.6963029	0.48660666	0.9668326	-0.66675395	-0.048615806	0.99711275	-0.060237925	-0.18030325	0.5522581	-0.21520033	0.42190194	-0.7822848	-0.43687204	0.27907023	0.70412254	0.9663393	-0.014379106	0.30627966	-0.33836615	0.5402132	0.5728622	0.776152	-0.28693414	-0.032615885	0.36971986	-0.2330353	0.4470571	0.19834433	-0.28880236	-0.18950011	0.99999905	-0.99535376	-0.38471946	-0.014744124	0.39535448	-0.63315433	-0.78314626	-0.11421168	0.61196035	-0.39510623	-0.99776065	0.12269543	0.6089473	0.8127769	0.373462	0.019980235	0.3933699	-0.46788988	-0.19556198	0.4103038	-0.84160423	0.49348113	-0.9451903	-0.540284	0.74351335	0.5255659	0.31192112	-0.8022612	-0.008065713	0.12185479	0.62774664	-0.9748633	0.70584214	-0.38367856	0.30356374	-0.43878275	-0.001613833	-0.000112824	-0.16781399	0.88665545	-0.12831008	-0.28632966	0.648782	0.5611075	0.20096864	-0.42699474	0.56019205	-0.39614293	0.000945806	0.022832423	0.30453217	0.12992395	0.31440657	-0.9655858	-0.55025506	0.119760826	0.5157631	-0.034973048	0.1609519	-0.104976684	-0.2864807	0.99941057	-0.3452429	-0.59558904	-0.075251795	-0.26899782	-0.22159821	0.08782406	-0.77890545	-0.80884284	-0.70799446	-0.018322524	-0.14171265	0.38023582	-0.41159838	-0.05408288	0.4545808	-0.7228336	0.10853805	-0.99999976	0.019934325	-0.111762136	0.56700116	0.5218825	0.28317484	-0.15373647	0.24529028	0.5168872	-0.13838026	0.018381968	0.4026474	0.38694212	-0.7617549	-0.15838933	0.21204461	-0.7616475	-0.531886	-0.24855281	0.31511724	0.13216554	-0.1636643	-0.58746785	0.38228908	-0.4653771	0.7651739	0.7802181	0.22965156	0.40608805	-0.21301444	-0.88740057	0.13384612	0.4324421	0.24559316	0.30953142	0.43936765	-0.01649091	0.1612475	0.112708315	0.123913445	-0.29086933	0.9998013	0.6385923	-0.988162	-0.26497018	0.9983842	-0.30080917	-0.12714438	-0.99870306	-0.045464825	-0.57290184	0.70572895	0.6122942	0.01693453	0.33482122	0.06480204	-0.8970035	-0.14021507	-0.4647651	0.73999965	0.47662866	0.016430944	0.11458074	-0.9996927	1	0.50176436	-0.45605123	-0.023409244	-0.6511622	0.6418532	-0.56288254	0.12575844	-0.35129443	-0.4118698	-0.3699202	-0.25848335	-0.22420086	-0.19162296	-0.20182262	0.2567195	-0.3238967	-0.33331856	0.9751684	-0.99875265	-0.11224933	-0.5126349	0.14459018	-0.6291835	0.3386524	-0.70994234	0.44342425	-0.44497618	-0.023383152	-0.6422455	-0.60153955	-0.14117023	0.97264373	0.07584269	0.5546567	0.29236385	-0.20474489	-0.27405542	-0.1621065	0.3446441	-0.3236129	0.57183695	-0.1413838	-0.5758132	0.3797176	-0.30771548	-0.662149	-0.08718104	-0.121416464	-0.24496791	-0.77228415	0.48735037	0.7483221	-0.12644958	0.9992542	0.56402916	-0.502146	0.25246543	0.8485749	0.21532144	0.99979085	0.8188929	-0.6627636	0.39576852	-0.06373068	0.6842689	-0.14876218	-0.99877995	-0.55636793	0.3883771	0.05478198	0.56816417	0.29610643
208	0	CNCc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1	-0.58378166	0.03860522	0.46207356	0.03054476	-0.38080704	-0.3139625	-0.19481544	-0.2828577	0.2900752	-0.0672365	-0.40138364	-0.27681485	-0.13978824	-0.29452413	0.5110997	0.71536577	-0.14474924	0.019988667	-0.6184548	-0.40507853	-0.03308824	-0.77728957	-0.090091184	-0.08308286	-0.06622607	0.52994883	-0.27748832	-0.6039709	-0.018887242	-0.41065514	0.5357298	-0.12009954	0.07424336	-0.7179641	0.27280512	-0.54196477	-0.2394714	0.15985851	0.9948704	-0.17983389	-0.79990596	-0.16751602	-0.11880306	-0.7410699	0.010206868	-0.8415625	-0.6078817	0.44915622	-0.26307154	0.77642155	0.27001342	0.17886604	0.026039219	-0.72641134	-0.28659484	0.060200144	0.077697955	0.06992892	0.45555297	-0.84353924	0.3604554	-0.48933235	-0.009794845	0.014179396	-0.015038411	-0.57540154	0.41953963	-0.34303108	0.39777398	0.04013392	-0.97810435	-0.98465544	0.33068314	-0.6378884	0.78888017	-0.6005129	-0.6405076	-0.1848053	0.17115848	-0.9995873	-0.96253204	-0.32978308	-0.9373334	0.16141109	-0.45108792	-0.688532	0.42040852	-0.15603222	-0.04515402	0.5757108	-0.60244703	0.5153385	-0.36444494	0.28909603	0.9977294	-0.40798825	0.09873897	0.25861627	0.3380649	0.48055494	-0.111927	0.6020959	0.3459992	0.9481454	-0.97762525	0.038624972	-0.62200475	-0.08238525	-0.9999962	0.11899786	-0.12702747	0.099018715	-0.5519457	-0.05911236	-0.32606825	0.042852595	0.42010558	-0.23618779	0.9938114	0.65541744	0.49768066	-0.6725134	0.022717707	-0.2914491	-0.3546104	0.05479041	-0.04630282	-0.24105418	-0.16689934	0.99859214	0.43473533	0.62751937	0.26652828	-0.19118562	0.033309016	-0.94918835	0.604009	0.67256767	-0.71479577	0.6986259	-0.99997824	-0.3490709	0.7286691	0.29373327	0.4339351	-0.63068855	0.16729213	0.3651931	-0.64061314	-0.22787124	-0.55291307	0.6151818	0.36847168	0.281051	-0.15437606	0.6761646	-0.15502469	0.5521455	-0.1371523	0.9569572	-0.89209855	0.82717913	0.31611466	-0.02348145	0.30572042	0.15463586	0.45790163	-0.47687972	-0.1081952	-0.19583532	0.08149286	-0.04856891	-0.35750997	0.35279748	-0.09050972	-0.85742515	0.5896106	0.13681309	0.12907317	-0.21458562	0.1832234	-0.91465825	-0.17043889	-0.1971704	0.050309304	-0.28896245	0.049616665	0.2823898	0.45446727	0.73492795	0.38454115	-0.4145042	-0.065760404	0.56313	-0.001796907	0.12814453	0.48229378	-0.49377507	0.46205652	-0.35483202	0.63284683	-0.61863154	-0.17752615	0.49246296	-0.20207207	0.26141414	0.007494468	0.5607001	-0.49955204	-0.9996714	0.06254664	0.047011208	0.37247404	-0.5066478	0.7535045	-0.12888066	-0.19951117	0.010125641	-0.08763223	0.57363147	0.19534744	-0.16278954	-0.5064358	-0.06376193	-0.96556044	0.49999568	-0.13388646	0.6877444	-0.48764855	-0.4368651	-0.21642844	-0.38006786	0.22352938	-0.4605309	0.5865138	-0.22774436	-0.5273144	-0.16621651	0.08464165	-0.3628747	-0.9393432	0.26655734	0.056508664	-0.60087615	-0.40719002	-0.18466304	-0.116410725	-0.24592537	-0.20683497	-0.19581333	-0.1356502	-0.7587865	0.3161457	0.5229845	0.13423611	0.35645697	0.120922305	-0.048868757	-0.25870562	0.10229643	-0.8467779	-0.2548447	-0.43209857	-0.22871907	0.5771528	0.014521629	-0.5683062	-0.270292	-0.8948762	0.60193986	-0.7848513	0.9661709	0.35540983	-0.3018099	-0.38976246	-0.76950794	0.20518582	0.77327317	0.3551794	0.43726924	-0.44876444	0.99893016	0.5633413	-0.42412487	0.45686492	0.4758901	-0.4259703	-0.87386	-0.9772903	0.28432658	0.5302107	0.96371365	0.21850458	0.15145005	-0.33183947	-0.17418447	0.9999938	-0.906437	0.59120286	-0.2187661	0.24641271	-0.43406495	-0.13222556	-0.37412995	0.5231089	-0.8143511	-0.7657894	0.23536964	0.78696835	0.097219154	0.55891925	0.3054218	-0.30766505	-0.3012101	0.09129971	0.15272905	-0.08069998	0.3740333	0.9999635	-0.50863063	-0.59516174	-0.26110983	0.28390303	-0.55384815	-0.522336	0.49804795	0.30514053	-0.877633	0.15308829	-0.3131756	0.4204601	0.48510715	-0.4628676	0.23808566	0.31868437	-0.45731452	-0.045751177	0.12830946	0.62188786	-0.13229783	0.32961863	0.6113868	-0.6037684	0.015574722	-0.37993708	-0.26120317	-0.14417684	-0.04536255	-0.4766635	-0.71778035	-0.9734659	0.051811617	-0.850998	-0.26422644	0.56096005	0.05305607	0.23769793	0.9998577	-0.13623291	-0.55254096	-0.118702464	0.5223839	0.38780308	0.5749221	-0.43711823	-0.7334543	0.17980315	0.21578316	0.80371606	0.0951245	-0.49142677	-0.4757965	0.007300735	0.041440416	0.23007919	-0.98558867	-0.2921696	0.24522762	-0.5811311	-0.69587004	-0.2898137	0.35522595	-0.44236144	-0.23809588	0.039181158	-0.6810832	0.29496315	-0.28631133	0.61894655	0.47349942	0.06712664	-0.7802259	0.17768742	-0.29280302	-0.62187004	0.3746484	-0.23177072	0.56247115	-0.38284844	0.26069665	0.5873822	-0.35116825	0.080569595	-0.5467337	0.57542056	-0.18620825	0.33518574	-0.8290146	0.71138996	0.3439057	0.31742135	0.31849673	-0.7601398	-0.22958373	0.55373096	-0.23297071	-0.942558	0.2367541	-0.8219389	0.11664116	0.99967986	0.11083333	-0.36422163	-0.707106	0.21349093	-0.08852456	0.49596623	-0.12647685	-0.2243819	-0.31113514	-0.033275243	-0.15886389	0.516239	0.1380758	0.70157945	0.035091043	-0.15985483	-0.17309636	-0.9999802	0.9999993	-0.4178966	-0.26804185	0.15723024	-0.17869155	0.33305055	-0.61918426	-0.7223031	0.14348812	0.1483498	0.69083893	-0.46877697	0.17039591	0.37118456	-0.5142339	0.5359416	-0.32087988	0.33175105	0.20945297	-0.99991494	-0.30816132	0.5218638	0.46008936	0.1293481	0.16917	-0.692316	0.14217018	0.008777374	0.4767838	-0.54547507	-0.018864932	-0.5351434	0.97829646	0.50635767	0.77593094	0.54676414	0.03486523	-0.5598693	-0.63782275	-0.3963247	0.4782089	-0.79849017	0.19334596	0.48020548	0.1805153	0.06448611	-0.7940496	-0.35757616	0.09292598	0.25939345	0.076330215	0.16722898	0.25633484	-0.51694727	0.9847562	-0.29143816	-0.53260875	-0.18735212	0.29906482	0.24639875	0.9999673	0.004611723	-0.06156858	0.3930227	0.14473511	0.25269395	-0.8364204	-0.9934435	0.39731488	-0.23052436	0.43813714	-0.025682861	-0.4384704
209	0	CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1	-0.8279889	-0.38492572	0.7823869	0.09287199	-0.45261973	-0.57988584	-0.7589154	-0.12922938	0.16243389	-0.3611168	-0.39611173	-0.16728407	0.25949198	-0.5917924	-0.21804243	-0.17533675	-0.42330655	-0.48806652	0.5815322	0.38230404	0.37445918	-0.018152319	-0.46713254	-0.5892729	-0.00443051	0.66882056	0.21890198	-0.5806591	0.3234386	-0.12309258	0.0952614	-0.10618721	0.51366204	0.27551955	0.27011707	0.45901835	-0.22073999	0.671763	0.9994286	-0.5791854	-0.80176425	0.079993784	0.030821662	-0.3989958	-0.21084182	0.18874589	-0.49245822	-0.2986905	-0.48256072	-0.14933828	0.77233547	-0.3829161	-0.37815803	0.4909195	0.057702452	-0.05972827	-0.27951714	-0.7557604	0.2143883	0.040279076	0.16655494	-0.23988667	0.6039658	0.2326633	-0.38249648	-0.21937412	0.45828065	-0.09003942	0.016737731	-0.033999052	-0.9544257	-0.90554065	-0.48240167	-0.66956013	0.5501728	-0.0097205	-0.31154895	-0.29272845	-0.3838311	-0.99899876	-0.27148592	0.2181193	-0.92036784	-0.12179256	-0.232263	-0.95099354	0.2678428	-0.085362166	-0.05671594	0.23269026	0.40234914	-0.25072014	-0.16042295	0.13330029	0.99722445	-0.2727663	0.774863	-0.42616916	-0.27337366	-0.064903535	-0.02028573	-0.3323799	-0.5493232	0.9912983	-0.9985059	-0.5838893	-0.08110713	-0.051744156	-0.9996179	-0.17315552	0.06103222	0.42771444	0.01856556	-0.009032294	0.23041712	0.3307409	-0.39418134	0.3271985	0.9119043	0.23035361	-0.10933854	-0.20106414	-0.38008654	0.27228212	-0.13131738	-0.131684	0.151767	-0.70268536	0.17738381	0.9997568	0.23955192	0.21213327	0.274624	-0.1260766	-0.27111512	-0.9612772	-0.20526293	0.64110637	-0.7142025	0.50979114	-0.99999386	-0.30867258	0.5303414	0.46386737	-0.34297183	-0.3149325	-0.13668747	-0.46501264	-0.983226	0.203217	0.12160636	0.6925748	0.06062165	0.6320675	-0.07320919	0.31515247	-0.031341143	-0.73306876	-0.7810832	0.8434254	-0.29950267	0.38866934	-0.291353	0.3459735	0.61320925	-0.38354698	0.16142271	0.6433805	-0.22710578	-0.095042855	0.24346481	-0.113488175	0.09698145	-0.2712703	0.009185244	-0.9422329	-0.41018134	-0.1973216	-0.35482818	0.10321487	-0.11643048	-0.64778215	0.06414315	0.13502926	0.38143355	-0.07931684	0.40493515	0.08724245	0.3341945	-0.24226102	-0.39205715	0.0881218	-0.38739893	0.7035294	0.3833775	-0.033572093	0.4464522	-0.7254608	0.6130784	-0.368179	-0.33628106	-0.52246773	0.30315548	-0.31157959	0.36846712	-0.1354459	0.2253735	-0.4510953	-0.11212079	-0.9998876	0.6703246	-0.12039832	-0.4731993	0.10500391	-0.063270256	0.21192285	0.25177068	0.019237874	-0.35807306	-0.020471584	0.30001384	-0.25938576	-0.45331338	-0.27247518	0.9083487	0.15230915	-0.21958026	0.6121197	-0.17351899	0.3127514	-0.19442192	-0.2662242	0.43576664	-0.2855464	0.6174479	-0.025074687	-0.3649632	-0.036389098	-0.3399277	0.5330295	0.856389	-0.22643113	0.08566943	-0.62927973	0.78801394	0.014635202	0.3425856	0.6246235	0.12751654	-0.07785254	0.2795084	-0.71577793	-0.31587106	0.57028997	0.28602102	0.38151512	-0.7501809	0.26528198	0.3344501	0.2731628	-0.368075	0.22918378	-0.51106185	-0.7822834	0.25625575	0.3462603	-0.16075574	0.28580192	0.46671993	0.33042032	-0.37716788	0.9873289	0.06078844	-0.14740391	-0.6516651	-0.014428955	-0.3454966	0.002371463	0.26635376	0.18222713	-0.15565152	0.9900616	0.16033918	0.105100326	-0.2807	0.11731791	-0.32379457	-0.12523118	-0.98415583	0.3029227	0.057561014	0.4215937	0.071613885	-0.25119263	-0.11641437	-0.17365186	0.9999991	-0.98458475	0.7590985	-0.5730797	-0.022887312	-0.4908544	-0.7564779	-0.3703106	0.20767216	-0.12806794	-0.9961556	0.29869387	0.9220878	0.6175042	0.03230283	-0.02311862	-0.72701466	0.2594818	0.6126432	0.24394655	0.08917833	-0.44940996	0.95176804	-0.035079785	-0.25994286	0.18880017	0.45240796	-0.8054725	-0.14856133	0.49267298	0.47025487	-0.84571654	-0.48899287	-0.38871658	-0.41406542	0.50555766	-0.32022533	-0.029823566	0.5106684	0.33321533	0.25180474	0.054741286	-0.09321305	0.1773775	-0.394984	-0.29433453	0.20766902	0.6073062	0.23404703	-0.68473744	-0.10139065	0.30373803	-0.7244306	-0.9454117	-0.8375827	0.54706603	-0.3979643	-0.27142513	-0.14364478	0.21736766	0.38402236	0.99948186	0.42050004	-0.3507885	0.33026353	0.671124	-0.28468207	0.33725345	-0.8458047	0.39749575	-0.17038463	-0.6494531	0.4000785	-0.27328727	-0.061924223	0.7668906	-0.5077411	-0.1464097	0.26848224	-0.99571764	-0.09447883	-0.30586872	-0.707733	-0.08641683	0.40242773	-0.71216834	0.18352579	-0.19363828	-0.1553506	-0.3032489	0.660385	0.104723595	-0.12981918	0.4639562	-0.24174775	-0.07362488	-0.14805394	-0.0465294	0.056358572	0.17647995	-0.65915596	0.16348048	-0.82610184	-0.23136628	0.8108124	0.60430396	0.20430043	-0.1663819	0.22804815	-0.601705	-0.2202702	-0.7329901	-0.34601778	-0.5843469	-0.21113835	0.3052509	-0.3853497	0.7886861	-0.108102895	-0.20533441	0.9538763	0.36904854	-0.9750084	0.111645766	0.99964076	-0.48120877	-0.10227857	-0.989969	0.510091	-0.7899397	-0.24292378	0.09437071	-0.04417338	-0.022788007	0.052372966	-0.58395326	0.027235214	0.75973654	0.084656104	-0.2660556	-0.10275658	-0.18460727	-0.9999357	0.9999999	0.7757617	0.07232232	-0.14093766	-0.65525156	0.2902831	-0.5859004	-0.3002468	-0.19463715	-0.3297068	0.6054954	-0.8657902	0.056775816	-0.000248825	-0.28719327	0.28188798	0.3242135	0.1949352	0.9384424	-0.99936825	0.13229711	-0.48603794	-0.09628456	0.46509305	-0.43419665	-0.8892121	0.33391502	-0.7677162	0.46332553	-0.20719257	0.4573446	-0.20049737	0.9894718	-0.5765592	0.82015806	0.4751818	-0.2537482	0.24799708	-0.75312334	0.54814726	-0.6208365	0.12363771	-0.5329416	0.4563513	-0.09481052	0.18621573	-0.22073483	-0.13830593	0.113778435	-0.08530534	0.62329865	-0.21774645	-0.63332796	-0.26950726	0.9990559	0.61679703	-0.40753782	-0.009191391	0.4778378	0.42595035	0.9999655	0.39936653	0.578378	-0.027310185	-0.48549968	-0.63804305	-0.7555841	-0.99673927	0.06800562	0.140083	-0.37801868	0.5223025	-0.33117938
210	1	CCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2n1	-0.4678437	-0.24718419	0.39511102	0.30539435	-0.22142695	-0.25959924	-0.114531755	-0.17330357	0.7334266	0.14709963	-0.20001996	-0.3155465	-0.15902767	-0.5032766	0.85368687	0.5290376	-0.29119644	-0.1681486	-0.16577932	-0.14683902	0.4510419	-0.45440388	0.3045148	0.22073488	0.13445587	0.15097722	0.6065967	0.29816034	0.031933304	-0.670765	0.18033424	-0.49798334	-0.13922307	-0.7056848	-0.15959479	-0.20170303	-0.102486946	-0.3184804	0.9978397	-0.31306803	-0.78512466	0.23160435	0.1649487	-0.48295334	-0.16310033	-0.57333136	0.5970476	0.23826335	0.10346816	0.35641578	-0.03096933	0.16445686	0.8075485	-0.000815205	0.13997096	-0.48857722	0.07190402	-0.42679605	0.14215444	-0.62500364	0.11267137	-0.5435422	0.6220791	0.6476447	0.2511676	-0.72838014	0.19518793	-0.55318844	0.30668944	-0.024870323	-0.94858503	-0.99441665	0.6474748	-0.7585321	0.39167374	-0.11441693	-0.6328742	0.41965276	0.729804	-0.99979866	-0.4193037	-0.56264126	-0.8643788	-0.14544967	0.045448836	-0.40807298	0.21095422	0.31582963	0.028250143	0.38938937	-0.021614717	-0.2443061	-0.29578158	0.24661772	0.99937123	-0.06650039	-0.3582983	0.7718096	-0.62084323	0.29930058	0.33343166	-0.14440829	-0.33189943	0.9339473	-0.9850794	-0.8514454	0.16585714	-0.43607485	-0.99979174	-0.50494975	0.070135534	0.26231846	-0.084214225	0.42957252	-0.77791137	0.5273688	0.41250697	-0.3195732	0.9892401	0.086027056	0.19523698	-0.37081954	-0.089700796	0.5721621	-0.065537184	-0.0354567	-0.35598156	-0.7337098	0.2651218	0.9970289	0.48911506	0.40660316	-0.08165212	-0.5418651	0.5466035	-0.9849903	0.62555295	0.5023408	-0.6964305	0.32009858	-0.99998206	-0.4358488	0.42523757	-0.06389425	0.1090177	0.83862686	-0.3913576	-0.2717912	-0.8758517	0.3782139	0.1906367	0.7845899	-0.38812307	0.344239	0.19425705	0.47241512	-0.35890943	0.25158557	-0.3808523	0.80691963	-0.8461582	0.4191796	0.15904579	0.20088388	-0.5246742	0.10805242	-0.7400409	0.4028521	-0.013040248	0.23306088	-0.153277	-0.3953641	0.22277462	-0.40699857	0.1303383	-0.064149514	-0.29439932	0.46115035	-0.040363383	0.45665544	0.8303006	-0.9791397	0.5562137	0.18921968	-0.39746174	-0.38304195	0.24233128	-0.108615	-0.052640926	0.41494343	0.34347337	0.24742803	0.33404976	0.6962182	-0.5238534	0.06807831	-0.63864326	-0.4229753	0.4208623	0.24142627	-0.041101653	-0.0036109	0.353229	-0.025033923	-0.27325314	0.014128876	0.40350598	-0.04613484	-0.12972295	-0.9995042	-0.78001964	-0.38017046	-0.51993513	-0.4256185	0.12726179	0.27496147	0.49378508	0.32812122	0.37494457	0.12246319	0.13337457	-0.39778313	0.19638851	-0.5565495	-0.97674125	-0.005129922	0.23137099	0.2005939	-0.025859741	0.41460752	-0.11026778	-0.3761724	0.02649862	-0.23477192	0.001420534	-0.70182854	-0.04782604	-0.25199422	-0.52632356	0.40958083	-0.97425413	-0.26164392	0.38018793	-0.23697798	0.32839748	0.46806577	-0.61041635	0.53641707	-0.51323384	0.24677901	0.5413804	-0.7604397	-0.19453995	-0.2455159	0.5889	-0.1380149	0.049735855	-0.3230411	0.12843093	0.39290598	0.2573707	0.30734774	0.12857403	-0.01059904	0.35941672	0.11117516	-0.7277169	0.2603832	0.5906667	-0.06058134	-0.61242735	0.95715773	0.387034	-0.25917736	-0.504411	-0.6595419	0.725426	0.7584775	0.1528082	0.6396524	-0.2947276	0.99798036	0.27141038	-0.45659113	0.037976827	-0.33832404	0.17730236	-0.72422373	-0.97610426	-0.11176138	0.57542336	0.9289258	-0.050750248	0.1798074	-0.09158613	0.4051916	0.9999962	-0.91179127	-0.34884655	-0.07517472	-0.031010313	0.32507378	-0.6703646	-0.008345983	0.5429526	-0.52614397	-0.9341157	0.40724388	0.7179122	0.18723126	0.010304566	0.23925753	0.016810836	0.10650793	-0.41883564	-0.5248239	0.11596124	0.28423277	0.94618315	-0.87357444	-0.13216265	-0.24218126	0.2967233	-0.34677076	-0.4922442	-0.4346143	0.48821622	-0.7368521	-0.5618692	0.36342624	-0.029331861	-0.23719679	0.40110123	-0.89810145	0.6000895	-0.6952087	-0.30586755	-0.27918306	-0.38034198	-0.19105433	0.37204367	0.064164296	-0.26072958	0.09931293	0.114796914	0.3306199	0.17135228	0.07050882	-0.19641106	-0.7473154	-0.9488102	0.62690383	-0.034375314	0.2987481	0.2864445	-0.09341379	0.4425826	0.99825513	-0.27610308	0.11917777	0.3845888	0.18710808	-0.29039842	-0.25098813	-0.61540467	-0.49680966	-0.41471568	-0.092477456	0.23391142	0.3169039	-0.74619466	-0.32730764	0.04873523	-0.2949696	0.16732214	-0.9846211	0.544928	0.6385397	-0.43161324	-0.1638123	-0.30786133	0.14685175	-0.09713197	0.023232514	-0.029784381	0.07171301	-0.048801925	0.25681984	0.22575478	0.5730087	0.5926607	-0.6677505	-0.26093018	0.34197995	0.18816264	-0.008243712	0.661905	-0.19707496	-0.42198598	0.27964485	0.8778861	0.32207882	-0.18503252	0.084752075	-0.12374361	-0.76176894	-0.19987273	-0.49504042	-0.12787998	-0.4741441	0.02710197	-0.358293	-0.41535765	-0.22447073	-0.2169264	-0.08532087	0.9611394	0.23745026	-0.93868184	-0.13307069	0.9996471	0.1919359	-0.513403	-0.97919714	-0.3384742	-0.52470523	0.05537898	0.7316449	0.47808665	0.7505626	0.36436144	0.24352455	0.44000366	0.28093904	-0.40835214	-0.3774502	0.13990603	-0.26697	-0.99998647	0.9999995	-0.20835494	0.18584733	-0.6970458	-0.25989208	-0.2872035	0.31550246	-0.7753628	-0.44065163	-0.48417333	0.2636529	-0.56926966	0.061338443	-0.13162637	0.34770516	0.6260018	-0.24347325	0.08062772	0.45680627	-0.99985695	-0.23166801	-0.09292297	-0.33200607	-0.09148657	-0.1672908	-0.21811025	0.2526211	0.5915462	0.64605814	-0.5835966	0.5563203	0.13270725	0.97938704	0.5179598	0.74203604	-0.4926147	-0.21562731	-0.42918754	-0.4878292	0.22198008	0.2762152	0.24695288	0.1807909	-0.12677929	-0.17788556	-0.29023287	0.4373769	0.21645792	-0.22480412	0.28194126	0.7554429	0.31324497	-0.6487339	0.033758026	0.9958086	0.5672745	0.09335853	0.5627918	0.5615498	0.1639239	0.9999724	0.091810286	-0.18297954	0.47029853	-0.015847452	0.030194545	-0.74615383	-0.99366665	-0.50533676	-0.5256791	-0.53779876	0.45985398	-0.33404887
211	1	O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCOCC1	-0.6356939	0.34389985	-0.5047035	0.274056	0.6508221	0.0939087	-0.34043396	-0.49324653	-0.38358858	0.3945239	0.24208108	0.09131328	-0.20475182	-0.5593623	-0.4542406	0.002744021	-0.5835979	-0.29360607	-0.18412238	-0.002017577	0.34328687	0.21057859	0.021412987	-0.5122311	-0.20008227	-0.5588005	-0.18379696	0.15356238	0.20776962	-0.29676145	-0.60076725	-0.5425485	-0.18681686	-0.17797756	0.000744119	0.31040984	-0.2695106	0.07015637	0.999524	0.08153363	0.046031147	0.4641996	0.5993683	-0.08583401	0.4139205	0.36516517	0.04834044	0.33931932	-0.69814795	0.5264012	0.40307754	-0.37338877	-0.6413363	0.5045065	0.3989069	0.5378307	-0.42758298	-0.8857159	-0.1833593	-0.81665295	0.07072849	-0.11983316	0.7348647	0.13487497	-0.08860049	0.1707697	-0.36697564	0.12635441	-0.7927406	0.13532592	-0.9891276	-0.9963384	0.001876352	0.15614632	-0.007610245	0.53632206	0.41162187	-0.18902293	0.1674629	-0.9981246	-0.7379477	-0.6784078	-0.84480995	-0.31578827	-0.054154288	-0.5028391	0.3315547	0.47524533	0.007736026	0.23241197	-0.71453065	-0.06054322	-0.40411976	-0.37130898	0.999922	0.36371946	-0.6028633	0.072856426	0.008316519	-0.411697	-0.47704384	-0.035061825	-0.3451458	0.9778645	-0.998929	-0.7144259	-0.35042363	-0.21962501	-0.9999993	0.1525724	-0.29955062	-0.09847887	-0.62269735	-0.5588503	-0.141629	-0.17971604	0.57455325	0.28258964	0.928855	0.55391484	-0.051308043	-0.000960108	-0.49445572	-0.27308518	-0.5412393	0.63923883	-0.25096172	-0.15803804	-0.2531003	0.987847	0.06349251	-0.04689956	0.743059	0.34382853	-0.48669875	-0.9225826	0.020019783	0.57245165	-0.5882325	0.6714325	-0.9999974	0.114458114	-0.49541482	-0.73593163	0.8446252	-0.4893548	-0.48442885	-0.2050982	-0.99186313	-0.28390634	0.7395008	0.7677376	0.3098936	-0.6350651	-0.009472973	-0.63407564	0.3752717	-0.87868685	-0.47276092	0.90331066	-0.35969687	0.25725213	-0.52864504	0.34774736	0.08026344	0.25783342	-0.6273449	0.17346847	-0.6667439	-0.6594685	0.28187892	0.13294137	-0.76044565	0.07217796	-0.31832156	-0.9283893	0.80307	-0.5432847	-0.076701455	-0.31960264	0.3820243	-0.9948935	-0.5678918	-0.3514349	0.7904252	-0.54939574	-0.07175239	-0.036298785	-0.016252317	-0.24990787	0.4582335	-0.21750712	0.11706001	-0.097132936	-0.14502217	-0.40209797	-0.12257356	-0.11772459	0.2785007	0.16338944	0.11236363	-0.36391285	-0.33663246	0.17927316	0.8937829	0.21749078	0.6761739	0.10664707	-0.29387257	-0.99991125	-0.0616006	-0.5529569	-0.054882538	0.18497482	0.014484315	0.5754879	0.47623503	-0.443839	-0.078539774	-0.42453226	0.14879559	-0.40229204	-0.63197917	0.7081708	0.98872495	0.15030307	-0.27495104	0.7467347	0.46216068	0.42820007	-0.5404393	0.038936533	-0.28929928	-0.11747735	0.38608658	-0.25399444	-0.010262532	-0.20253631	0.16160637	0.4779836	0.6968224	-0.08808477	0.52548164	-0.6042614	0.43529147	0.50742066	0.24324243	-0.66483736	0.65899813	-0.5226716	0.37273264	-0.6669935	-0.43066224	0.6703884	0.6566762	-0.06811772	-0.016172979	0.54122394	-0.1204876	-0.39490747	-0.5319112	0.11102784	0.12971923	-0.046241954	0.07024665	0.63749814	0.21571568	0.33089864	-0.34629858	-0.6010039	-0.4870834	0.99174243	0.40947774	-0.18741293	-0.44645596	0.7210259	-0.34407225	0.6662134	0.49126452	-0.060911763	-0.16377103	0.9786409	-0.39074352	0.12742504	-0.16899171	-0.17909622	0.12807041	-0.93353426	-0.9994821	-0.08072159	0.57641757	0.19191836	0.25019467	0.006445386	0.1528828	-0.1487116	0.99999815	-0.7166633	0.28297317	-0.38970393	-0.34450442	-0.40959457	-0.23818444	0.681395	-0.03861571	0.41053376	-0.9952768	-0.34646446	0.9146422	-0.08770416	0.2599225	0.51423174	-0.39629248	0.035812177	-0.8672443	0.28337544	0.17224982	-0.6312106	0.9999603	0.38186377	-0.085747145	0.5107538	-0.12463472	-0.7367483	-0.04263867	0.21754165	-0.07722828	-0.50898135	0.50855345	-0.2890052	-0.13112192	-0.7796315	0.08968355	0.31190768	0.5921402	-0.82040304	-0.2375854	0.44885445	0.2556472	0.3690269	0.19963162	0.44783995	-0.332075	0.77124393	-0.020521581	-0.61855817	-0.03052165	0.43033782	0.30992177	-0.9635217	-0.56936336	-0.0784335	0.5532078	-0.30895868	-0.65970176	0.12557338	-0.04990857	0.9996347	0.4345037	0.56005466	0.46271518	0.7108608	0.36561176	0.404882	-0.6616263	0.3071159	-0.6115156	-0.43095106	0.6544873	-0.13972378	-0.13063405	0.88401335	0.20828107	-0.43487594	0.6584591	-0.9977164	0.026155643	-0.7331213	-0.47411788	0.3970913	0.542061	-0.56667054	-0.3196184	-0.05574094	0.5057299	0.39088398	0.35988134	-0.1508506	0.17490987	0.006145791	-0.6096123	0.034164242	-0.23530717	-0.6142082	0.50406015	-0.1401807	-0.37060943	0.6452948	-0.625264	0.26105025	0.9926808	0.33309564	0.6714556	0.09191232	0.741121	-0.38986224	0.1138083	-0.3147912	-0.010389265	-0.5894477	-0.33743212	0.616085	0.427462	-0.3975702	0.15689294	-0.7043924	-0.958408	0.00998454	-0.9835413	-0.3851621	0.9997216	-0.43167165	-0.66870767	-0.62401545	0.14115217	-0.42863306	0.07514319	0.36199456	-0.46640375	0.2889879	0.102761686	0.24113397	-0.42477152	0.418731	0.18938616	-0.56284475	-0.26815432	-0.68770975	-0.9999414	0.9999999	0.6350668	0.037820652	-0.22905332	-0.6652523	-0.38375258	0.060050838	-0.6939923	-0.39319637	-0.52398	0.8523421	-0.9225514	-0.5219555	-0.6784521	0.5618483	0.4099635	0.4208737	0.053753525	0.92995393	-0.9992227	-0.36989042	-0.25139266	0.15474395	-0.4671245	-0.54048353	0.5966776	0.17039946	0.27777126	0.37047914	0.18340564	-0.34382254	0.811923	0.9338828	-0.31586435	0.8273778	0.43148556	-0.36362696	-0.325184	-0.49584675	-0.55159056	-0.8175908	-0.6083866	0.49146318	-0.18378721	0.2933536	-0.10101766	-0.5658296	-0.31257358	-0.59745353	0.4376229	-0.20507602	-0.33165583	0.47005466	0.10938151	0.9987595	-0.22469828	0.32095876	-0.34852722	-0.067479014	0.07695828	0.99956393	-0.18176973	0.49960375	-0.17935577	-0.6782558	-0.4587946	0.03645575	-0.9980433	-0.27603218	-0.4309467	-0.26465967	0.40738985	-0.46084344
212	1	CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1	-0.7166157	0.012122699	0.59151953	0.18616927	-0.10507505	-0.49608293	-0.35860953	0.048653204	-0.6246176	-0.37936774	-0.6095184	-0.24039711	0.32367232	-0.47099072	-0.02914707	-0.37257838	-0.5827817	-0.31312498	-0.68178296	0.483141	-0.2706958	-0.6271633	0.5894936	0.5427379	0.3903581	0.44245607	0.17478788	-0.26157555	0.22103955	0.08403133	-0.09660325	0.36287838	0.42053428	-0.56201714	-0.2141853	-0.25974485	0.19581133	0.56082463	0.9808211	-0.9046029	-0.9696202	-0.508779	-0.14951141	-0.6813528	0.1766946	-0.95960367	0.44746307	0.48180932	-0.73040247	0.5226678	0.5406095	-0.2744004	-0.5303609	-0.5832411	-0.651889	-0.19810699	-0.6291864	0.50312436	0.36885676	-0.5139759	-0.300188	-0.03668821	0.50927246	0.59509265	-0.38087833	0.6638975	0.22543569	0.44884276	-0.12561712	0.04384649	-0.9530073	-0.55123335	-0.42336628	-0.6022513	0.8808837	-0.5697014	-0.64180595	-0.15475722	-0.424493	-0.99731463	-0.079055406	-0.23503475	-0.9601985	0.36625597	0.31919777	-0.9594898	-0.20774159	0.42582738	-0.4302311	-0.45705813	-0.13683538	0.43988156	-0.0926395	0.26574945	0.80252695	-0.15167634	0.8561547	-0.3807474	0.037299983	-0.034545526	0.14685068	0.41924566	0.12960558	0.79766124	-0.73975396	0.036665503	0.059562508	0.06746378	-0.94056624	-0.19368234	0.05540633	-0.7008043	0.25088796	-0.26949158	0.49508044	0.6456339	0.5247519	0.7318159	0.9979793	0.27171132	-0.2398437	-0.5255337	-0.111499116	-0.21777588	-0.26584357	-0.10066743	0.40726864	-0.07352264	-0.33076456	0.999948	-0.067360006	-0.5029327	0.79293627	0.14165902	0.30284253	-0.9845523	0.5301776	0.6698682	-0.55309516	-0.1792994	-0.9999675	-0.06584956	0.9912409	0.41761065	0.21334822	0.10964833	0.30818284	0.5097663	0.83439994	-0.022237673	0.26500952	-0.8097235	0.27115753	-0.36588466	0.05323154	-0.2935967	-0.42600867	0.9582397	-0.56076175	0.9037299	-0.9619556	-0.018262984	-0.546545	-0.08295864	0.6917711	-0.31703743	-0.20021385	-0.3613815	-0.3797278	-0.36539134	0.24093392	0.20180202	-0.06253973	0.31669685	0.2757313	-0.9344049	-0.7678917	0.27682766	-0.4474963	0.7001109	0.4416344	0.6897739	-0.5721858	0.40162528	-0.6688895	-0.46021646	0.5405926	0.17161003	0.6342288	-0.5938884	0.13619342	0.3433744	-0.13727014	0.33817363	-0.004258703	0.35341695	0.6779597	-0.7842852	0.7625096	0.67668855	0.14120547	-0.32538232	-0.5721506	0.19330086	0.10208913	-0.51018256	0.31958252	-0.34539875	0.04416644	-0.9991299	0.31382483	0.48933145	-0.27609703	0.3481497	0.24625039	0.33398396	0.15492143	-0.1839975	0.16232614	0.43463808	0.18085086	-0.7139062	-0.7227075	-0.33113354	-0.9405322	-0.28364396	-0.35119995	0.80128586	0.12099182	0.17698409	-0.20687461	0.017369946	-0.23541927	-0.27066663	0.73003834	-0.738486	-0.38870808	-0.40754917	0.30714932	-0.05477848	0.9072956	-0.052392624	-0.44835755	-0.3967854	0.8707667	-0.4419162	0.7928684	-0.1449585	0.13938649	0.10760595	-0.5250914	-0.9782022	-0.5935989	-0.002208915	-0.020960424	0.20114093	0.024084838	0.3536099	-0.5674989	-0.39081097	-0.46851978	-0.4622259	-0.7973858	-0.010085373	0.33394286	-0.3188497	-0.43295428	0.1429575	-0.983872	0.2687264	-0.16517295	0.94758373	0.44669464	0.1895446	0.32905644	-0.7662212	0.3648944	0.051556062	-0.029856501	0.2298071	-0.075201884	0.9994478	-0.18841171	0.64917016	-0.20963281	0.3869452	-0.24902333	0.49814788	0.77139705	0.014748653	0.17933272	0.99479073	0.12700856	0.6379035	-0.091514595	-0.17361975	0.9999847	-0.9942638	0.40621957	0.53537995	0.34886816	-0.33854297	-0.3850892	0.53268045	-0.18062511	-0.5447514	0.20772788	0.650869	0.1565215	0.6296488	0.2022788	-0.36797526	-0.07498868	-0.331867	0.9406225	-0.6602163	0.5352429	0.057377588	-0.92518073	0.25750983	0.041591603	0.53231823	0.47422093	-0.78499913	-0.47142863	0.7345223	0.45050532	-0.96650815	-0.07216701	0.032366198	0.07500102	-0.4025998	-0.1777996	-0.3560823	0.28023112	0.7899065	-0.20727837	0.39976698	0.41070303	0.64609575	0.39477125	-0.36023042	-0.18950033	0.035174448	0.05320005	-0.3537278	-0.4204095	0.32266468	-0.27056924	0.2996145	-0.9934183	-0.064502716	-0.08043469	-0.4619684	-0.52536994	0.65556455	0.24684682	0.99970037	0.475291	-0.7186668	-0.19453397	0.45588708	0.44553232	0.09700518	-0.9307657	-0.2221058	0.24558416	-0.41914207	0.49833742	-0.30907825	-0.45048857	0.11836085	0.30857882	0.5200856	0.1430358	0.99849707	0.35357827	-0.36403108	-0.19397825	0.22747086	-0.51543075	0.116578855	-0.3242031	-0.01302644	-0.34419337	-0.4518731	-0.4375577	0.0958287	0.4329382	0.560812	-0.14711234	0.3642381	-0.6033678	0.19777955	0.82937056	-0.047199372	0.13659123	-0.29059595	0.16023535	-0.5649907	-0.88960886	-0.001234438	-0.29522973	0.516123	-0.004521765	-0.4794743	0.022721173	-0.81302214	0.41172242	-0.034622185	0.4442788	0.5628278	0.114178814	0.22550687	0.65405816	0.36006525	0.99990255	-0.023844859	-0.96772784	0.49557698	0.99966	-0.3867327	-0.025565853	-0.9980447	0.5561569	0.29865476	0.42859265	-0.3991378	-0.40815607	-0.14537804	0.28741965	-0.62276316	0.24599089	0.44553176	-0.14646286	-0.7546292	0.6830196	0.20998092	-0.9999903	0.99506533	-0.89745927	0.028595971	0.3144424	-0.65960044	-0.1166788	-0.6945035	-0.35547805	-0.22798957	-0.02447898	0.55966693	-0.92420924	-0.03321629	0.3985032	0.13087858	0.120625705	-0.37872896	0.19903073	-0.28439352	-0.9999459	-0.058712568	0.15363298	-0.5715318	0.22853659	-0.5621303	-0.9962675	0.18618643	-0.09549318	0.15173364	0.006397976	-0.21176331	-0.29171592	0.96886545	-0.23156711	0.92095894	0.18502642	0.5078312	-0.32880434	-0.6305899	-0.108142085	0.4802337	-0.13527463	-0.7863387	0.9635129	0.06631355	-0.13717939	-0.14492553	0.06258561	-0.24108458	-0.40185976	0.659109	-0.48725724	0.43433285	0.5436404	0.89358616	-0.18550101	-0.027209066	-0.19831082	0.41213664	0.14715363	0.9999217	0.74885553	0.41635686	0.36711106	0.31085086	-0.60951024	-0.25814646	-0.9026393	-0.15951666	0.6593086	0.74834	0.33677426	0.07973933
213	0	CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc3nonc3c2)cc1	-0.7046486	-0.36558014	0.4518335	0.19985999	-0.13764516	-0.37094718	-0.5315128	0.18578538	0.44496801	0.07801469	-0.18833056	0.3425504	0.12282589	0.09665147	-0.39821067	0.28720984	-0.08739945	-0.9041721	0.648364	0.5131686	0.58082217	-0.021555599	-0.7107482	-0.48817074	-0.17298898	0.56402546	0.15502068	-0.6955232	-0.34791887	0.4034027	-0.15734825	-0.18677948	0.4315148	0.15732594	0.078939795	0.15535502	0.26360607	0.60179216	0.99970305	-0.47129926	0.037670508	-0.12704207	0.517713	-0.05004523	-0.39307234	0.7746071	-0.26172748	0.06564983	-0.3612262	-0.42426237	0.8420654	0.17208737	-0.57519096	0.11725479	0.6753721	0.33572164	-0.27773908	-0.8720094	0.4786201	-0.22979894	0.19215178	-0.007868885	0.07357827	-0.35336766	-0.47741625	-0.34778443	0.286963	-0.23565811	-0.13385046	0.06620188	-0.97666365	-0.970855	-0.46150666	-0.8146093	0.22842547	-0.118843384	-0.14655463	-0.15438151	-0.7878174	-0.9994143	0.25748715	0.21496236	-0.92528147	0.18128543	0.013167782	-0.8943117	0.17166921	-0.18297257	-0.25773275	0.11845038	0.003314389	-0.15113923	0.28255984	0.67134315	0.9997936	-0.518119	0.55138427	-0.23336707	-0.3048782	0.1530268	0.41074744	-0.664455	0.31433216	0.99162996	-0.9996813	-0.9293613	-0.11572977	-0.02281977	-0.999446	0.5003184	-0.2352229	0.3320372	-0.080754206	-0.10044288	-0.4245564	-0.5377859	-0.5406887	-0.017366564	0.7282129	0.36466745	-0.046143144	-0.37716037	-0.3574931	0.2126952	-0.40383	-0.5759391	0.20607199	-0.8254424	0.17526965	0.9986121	0.04371981	0.45307013	0.09978418	-0.09141359	-0.14021125	-0.9585705	0.04363758	0.43997657	0.13195048	0.34014675	-0.99999607	-0.34776974	-0.5017071	0.345096	-0.32911658	-0.47125986	0.055832125	-0.31410465	-0.99803615	0.35834405	0.07442055	0.6571139	-0.044356015	0.59897697	0.33666465	0.6336615	-0.13329363	-0.9485358	-0.78485686	0.75274587	0.075037405	0.42836818	-0.23738213	0.16759798	0.59527254	-0.34246913	-0.092444815	0.48379108	-0.17053428	0.024804417	0.5052951	-0.088914745	0.38809028	-0.7407555	0.23847425	-0.023033045	-0.3488527	-0.41350582	-0.51982963	0.6750481	-0.28329787	-0.97230476	-0.08350847	0.3061074	0.7881902	0.54584163	0.5197845	-0.32924038	0.31637228	-0.12550293	-0.024066085	0.12700416	-0.58054584	0.45842993	0.53434986	0.016782477	0.32462558	-0.4806472	0.14918078	-0.56326026	-0.3707078	-0.68387634	0.63175344	-0.34657398	0.53110814	0.16961958	-0.26808172	-0.4871405	-0.09793742	-0.99989325	0.6851872	-0.40350172	-0.60576653	0.18450043	0.3971679	0.13182268	0.679778	-0.3061591	-0.3953584	0.02852104	0.28336316	-0.3063492	0.77475864	-0.38049877	0.92288715	0.23665848	-0.5674337	0.8103518	0.17167756	0.5299958	-0.15981397	-0.02020052	-0.14808974	-0.5457136	0.23609549	-0.20180048	-0.54568875	-0.41912904	-0.13897495	0.60102075	0.8916015	-0.5225091	0.12406895	-0.040634245	0.8425709	0.081866436	0.45074803	0.75469506	-0.11296845	0.029261466	0.24293971	0.031648044	-0.19742025	0.62387353	0.3502188	0.5117928	-0.630312	-0.14600922	0.5554881	0.26548818	0.20441578	0.3221668	-0.58760554	-0.6116126	-0.30827537	0.5638888	-0.057951845	0.43501887	0.5749768	0.11112159	-0.18508133	0.99826264	0.042892653	-0.21443208	-0.5278203	-0.0382167	-0.4171443	-0.12034295	0.15511435	0.47942173	-0.09269245	0.9627636	0.000956401	0.12664835	-0.75316775	0.6522259	-0.3200236	-0.3403542	-0.9861325	0.4602997	0.25494936	-0.2659079	0.1846496	-0.30991614	-0.34982795	0.049748667	0.99999964	-0.91338116	0.77721334	-0.6072356	-0.34573546	-0.38353494	-0.80129975	-0.5956554	0.73669165	0.47425896	-0.999208	-0.31374842	0.8601755	0.4543467	-0.44857782	0.085377716	-0.7046692	0.46159223	-0.105831556	0.5662999	0.085914895	-0.23723096	0.9409859	0.31461543	0.13540028	0.1564628	0.2933559	-0.8299665	0.002346171	0.32758576	0.581195	-0.3320806	-0.52235454	-0.27386817	-0.3017287	0.56716555	-0.425392	0.18865494	0.51331425	-0.21670061	0.38174754	0.47015223	0.15870588	0.081418835	-0.22125356	-0.28289413	-0.17437433	0.65740305	-0.54977393	-0.66148233	0.00324095	-0.6370214	-0.41702518	-0.97540677	-0.39798826	0.49187994	0.04030999	-0.012287943	-0.05614557	-0.138294	0.31338888	0.99910665	0.5507999	-0.10542175	0.49742648	0.48414892	-0.24559094	0.16612184	-0.41894153	0.34959623	-0.038267598	-0.6190375	0.6493339	-0.19708382	0.09622879	0.26883295	-0.5902662	-0.6859192	0.18962693	-0.9999997	0.031409618	-0.62141323	-0.47810516	-0.17611235	0.54297686	-0.7504412	0.014863567	0.12244954	0.23572917	-0.6599242	0.66363025	-0.30734193	-0.008130679	0.5082734	0.13883191	0.04234791	-0.050319448	0.61784464	0.10393992	0.3194766	-0.4572104	0.54692394	-0.8557205	0.28247565	0.9907952	0.72658145	-0.06516331	-0.2935134	0.2398292	-0.35160983	-0.17830305	0.48757574	-0.16082108	-0.061231676	-0.22402894	0.4998767	-0.3579622	0.72186244	0.105127685	-0.39939296	0.9435075	-0.30746293	-0.9850276	-0.2830685	0.99910223	-0.59077424	0.05778251	-0.98949224	0.50802284	-0.85810333	0.03758411	-0.31362674	-0.28760427	0.2588346	0.015222635	-0.105942644	0.08254336	0.815889	0.109786354	-0.5557398	0.000910316	-0.4321358	-0.99976844	1	0.9076155	0.6240657	-0.15024526	-0.6819643	0.6046283	0.14509521	0.069	-0.45369732	-0.167774	0.41502282	-0.8145266	-0.30325112	-0.106163785	-0.46303123	0.34459832	0.32309216	-0.4294035	0.9724934	-0.9977228	-0.05693229	0.111346364	-0.2956575	0.73004085	-0.5158002	0.2744744	0.75071526	-0.6434885	0.42119685	-0.08924613	0.35917476	-0.14367735	0.9931245	-0.7203146	0.55396163	0.49342817	-0.4563789	0.37071544	-0.13296473	0.033005267	-0.6911719	-0.4681408	0.35532886	-0.39651927	-0.48242766	0.20427406	-0.7111677	-0.14519519	0.14250858	-0.32502228	0.5462188	-0.23681177	-0.08503695	-0.3046477	0.9995984	0.57250863	-0.37093163	-0.015980622	0.07284852	0.5559335	0.99997604	-0.1310306	-0.013153843	0.31931755	-0.26807585	-0.5943766	-0.79241455	-0.9989279	0.28515095	-0.04285744	-0.7957771	-0.19485298	-0.56069374
214	0	CC(Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)O	-0.72038937	-0.06785918	-0.4790904	-0.6686771	-0.45149398	-0.77500015	-0.40548104	-0.2690678	0.15882456	0.59665954	0.43102413	0.010909421	0.25177288	-0.3341479	0.10159238	0.12969427	-0.6546706	-0.40517288	0.38754123	0.16691643	0.6014635	0.48676533	0.14671992	-0.23663834	-0.33223894	-0.19476058	-0.014404584	-0.6681302	-0.5446196	0.5855641	0.44607088	-0.38843074	0.07158533	-0.71348816	0.23106009	-0.02597807	-0.587163	0.21523786	0.9996818	-0.028523942	-0.19398695	-0.24206483	-0.25685287	-0.33307362	-0.65739065	0.94619006	-0.39812574	0.21829355	-0.7783219	-0.34225053	0.6707691	0.63474363	-0.05814938	0.46167603	0.8020516	0.11536254	-0.2813798	-0.96067184	-0.27442083	-0.20932887	-0.30861914	-0.7036014	0.4639284	-0.085858785	-0.6056868	0.40968785	0.10241838	-0.74409765	0.41159493	-0.14923118	-0.996868	-0.9360038	0.2024227	-0.5458233	-0.6026203	0.28893945	-0.086568825	-0.18123083	-0.0759312	-0.9996743	0.5026891	-0.033935606	-0.959308	0.3574165	0.21627285	-0.80580866	0.17630628	0.42429647	-0.033525717	-0.24743767	0.28113502	-0.59025013	0.047049448	0.37861124	0.99992377	-0.3637637	-0.003892498	-0.67189	-0.3546339	0.028303264	0.3745907	0.007486806	-0.45072764	0.9941343	-0.99979234	-0.8977512	-0.03348116	-0.5018605	-0.999924	0.5461506	0.16065171	0.35998785	-0.19221953	-0.16004676	-0.21083926	0.43333316	-0.4204831	0.50554883	0.29159892	0.3522175	0.021653173	-0.33504522	-0.4130851	-0.1097151	-0.27529222	0.14644638	0.33043328	-0.581699	0.62478185	0.9963282	0.005545194	-0.509787	0.26967055	0.3868973	-0.336404	-0.9828545	-0.58905226	-0.17501572	0.006186849	0.6868197	-0.9999982	-0.8009705	-0.7344782	-0.34243783	-0.5299623	-0.25587726	-0.12741421	-0.1676152	-0.9992924	0.40778127	0.69697237	0.55119514	-0.503562	0.73019046	-0.09595918	0.72961056	-0.3160791	-0.9895387	-0.81222844	0.46987462	0.6285235	0.43775085	-0.18671745	0.41407073	0.34486532	-0.24612431	-0.019506529	0.6612888	0.45567575	0.13879463	0.7445581	0.2153537	0.15631175	-0.3875125	-0.25138506	-0.7381542	0.05549413	-0.3030564	-0.72806025	-0.15893124	-0.2077296	-0.99383116	-0.06116948	-0.44502914	0.88297933	0.12814766	-0.08238609	0.19597514	0.601662	0.48217472	-0.39444673	0.231304	-0.30229834	0.17392875	-0.18726881	0.13022593	0.11719958	-0.5858807	-0.15437879	-0.6150055	-0.58164	-0.88852066	0.18979612	-0.22919944	0.5434218	-0.0347295	0.50439036	0.08962117	-0.05024053	-0.99978286	0.44005644	-0.30053627	-0.41772595	-0.29349598	-0.44710615	-0.47119728	0.58501023	-0.010402322	-0.15867211	-0.3346571	-0.23234603	0.18368167	-0.30360854	-0.049847815	0.9718756	-0.22447546	-0.19836672	0.69938856	0.2710387	0.5170853	0.0307336	0.16244338	-0.009778213	-0.3524486	0.34869358	-0.470701	-0.37201977	0.19778623	0.38936666	0.38758448	0.8657186	-0.2639229	0.28928104	-0.43354788	0.8392649	0.077851795	0.6398534	0.8301998	0.37703064	0.2418847	0.5898281	-0.002109077	-0.39764208	0.25924602	0.47787344	-0.038996935	-0.31722862	0.2725027	-0.19075626	0.7519859	0.3613393	0.2823638	-0.019350192	-0.16991638	0.3248901	0.37483758	-0.2568978	0.30500558	0.8356537	0.25869077	-0.2225962	0.99392176	0.20554222	-0.2851113	-0.13331822	0.24134032	-0.34969538	-0.10345448	0.4604724	0.5912896	-0.06453451	0.82486606	0.1561057	0.5600178	-0.5004585	0.77703065	0.22957657	0.002961673	-0.98046494	0.11224027	0.099130966	-0.7939083	-0.44070232	-0.5368999	-0.19443305	-0.53931886	0.9999999	-0.8231651	0.5088113	-0.3593485	0.33895165	-0.6232381	-0.72479683	-0.19091539	-0.21243612	0.21233547	-0.99974775	-0.3900288	0.9095093	0.110537946	-0.41397908	0.05604557	-0.4579368	0.48993802	-0.6333665	0.15437204	0.20943749	-0.27835017	0.94364595	-0.14839788	0.060893457	-0.031293154	-0.07568016	-0.85493666	0.34725308	0.56731915	0.40127704	-0.30918807	-0.2404242	-0.7164585	0.063272074	-0.4677038	-0.37105566	-0.44342244	0.184017	-0.2504633	0.502797	0.39473617	0.33235052	0.19720261	-0.4327415	-0.027733004	-0.65922654	0.20526476	-0.29396346	-0.79085815	-0.067865044	-0.22280015	0.006457889	-0.98572016	0.3299103	0.7336051	0.299886	0.5367112	-0.17767124	0.058617987	0.43670663	0.99795055	0.6721312	0.05281043	0.17808314	0.5661139	0.07332611	-0.31797132	-0.8155697	0.7787797	-0.6268001	-0.6138441	0.25145206	-0.49811992	-0.6806902	-0.023255123	-0.7301483	-0.6910209	-0.110327125	-0.9999994	-0.41707715	0.30275416	-0.14735422	-0.028465051	0.54939413	-0.7465899	0.29779625	0.11330042	-0.6430785	0.1673524	0.6739012	0.17534511	-0.54700327	0.42608818	-0.17849846	-0.6104685	-0.16271803	0.000278348	0.00624749	0.098562956	0.19682902	0.24715263	-0.87422496	0.52748436	0.9945045	-0.006451079	0.5856328	0.15692832	0.057472896	-0.45856506	-0.28756183	-0.4622114	0.43010065	-0.06255979	-0.5808682	0.7327085	0.13786586	0.31975853	0.45095757	-0.13793401	0.95539063	-0.37051305	-0.98954093	-0.41185796	0.998328	-0.45442787	0.407267	-0.9849476	0.65734863	-0.90884334	-0.4284877	0.31421894	0.51474124	0.35638678	-0.6947998	0.09395773	0.54774374	0.6964706	0.1281448	-0.22319335	-0.30801797	-0.7273828	-0.99929166	1	0.9578393	0.28081718	0.2587936	0.27135202	0.30143127	-0.09529715	0.008692834	-0.24528328	0.4885986	0.45492044	-0.7506163	0.21017829	-0.586569	-0.6838777	0.5550224	-0.034581278	-0.14701264	0.9898511	-0.99109775	0.21887234	-0.004051588	0.25639683	0.5582667	-0.2876237	0.47012395	0.75880945	-0.07523411	-0.26040044	-0.29915068	-0.064396754	-0.022527246	0.990753	-0.063111685	0.7952981	-0.3883731	-0.53358513	-0.29136443	-0.18086718	-0.49842343	-0.72110903	-0.20581837	0.6098962	0.28995934	-0.41068467	-0.2180957	-0.07772551	-0.08543801	0.40264806	0.06912161	0.5741246	-0.78053373	-0.008746768	0.005252082	0.99969053	-0.08381472	0.34133795	-0.043912083	0.1494771	0.5484952	0.9999715	0.24909231	0.16625604	0.026118325	-0.4242608	-0.8478616	-0.76849884	-0.99847776	-0.23490897	0.5849354	-0.6046181	0.4098415	-0.28113067
215	0	CCC1CCC(NCc2cc3c(cc2OC)C2CC2C(=O)N3C)C(c2ccccc2)N1	-0.83531064	0.3002714	0.34770647	0.16278625	-0.3329708	-0.53080684	0.18161589	0.27881557	0.4647654	0.054079846	-0.60271835	-0.30936682	-0.08545	-0.4191123	0.64501166	0.10010117	-0.7039483	-0.31505102	0.3411265	0.59862274	-0.630041	0.05236391	0.6692098	0.5106811	-0.65254545	-0.4528126	0.027155478	-0.22435462	0.50344497	0.0989842	0.4170646	-0.18033086	0.6859454	-0.2822571	-0.030476963	0.27911666	0.03729809	-0.38315842	0.9998255	-0.16811302	0.40413696	-0.6878946	-0.6753606	-0.7752711	-0.10431214	0.8408116	-0.4561264	-0.060358945	-0.6130792	0.80721384	-0.22675677	0.1339577	-0.03915357	0.42746323	0.13156445	-0.6286082	-0.60883087	-0.92628485	-0.362526	-0.31108627	-0.22239581	-0.15002537	0.015935311	-0.35805166	0.2361723	-0.2863909	-0.637238	0.357674	0.52542377	-0.02301974	-0.95087224	-0.71101	-0.53811365	0.32061923	0.34995025	-0.3981245	-0.24582574	-0.4143985	-0.4147403	-0.99774414	-0.48061264	-0.26745895	-0.975788	0.20559745	-0.08526191	-0.9174225	-0.15829065	-0.15643394	0.2453859	-0.39313555	0.23861887	-0.24410091	-0.009159584	0.49983004	0.99609923	-0.6131366	0.6367929	-0.18627189	-0.49773857	0.47802126	-0.5117186	0.7679874	0.31701276	0.9626756	-0.9997583	0.2645062	0.6091713	0.103267856	-0.99908966	-0.49515036	0.53036505	0.022717575	0.63116765	-0.2771815	-0.5150301	0.39197126	0.5086979	-0.08902772	0.44779986	0.71952295	0.56318116	0.35014293	0.37399864	-0.40672895	0.45896265	0.22573037	0.47924593	0.7942951	0.5211809	0.9998539	0.055224836	0.623629	-0.7791469	-0.2598161	-0.04531581	-0.99108124	-0.33721042	0.6851054	0.16106081	0.5419197	-0.99999976	0.41375956	0.3788601	0.17637445	-0.35688427	-0.48743966	-0.03758256	0.02268924	-0.9986287	0.31704146	0.58925444	0.55286527	0.4135119	-0.17952345	-0.6512445	-0.39640254	-0.3608825	-0.98178566	-0.54761475	0.886799	0.3652137	0.45366287	0.247834	-0.35635865	0.10058456	-0.53671956	-0.3946634	0.12659122	-0.059287798	0.49813938	-0.12730278	-0.0469484	0.2771697	0.1394363	-0.42606008	-0.8285715	0.21022072	0.6230972	-0.4424781	0.3520105	0.014744784	-0.4453205	-0.252954	0.35957712	0.9004361	-0.47560847	0.7770296	-0.732603	0.4023305	0.59832317	0.011343107	-0.05960264	0.17710282	0.42638016	0.48266774	-0.13108303	-0.07273253	-0.7179171	0.82527715	-0.25652373	-0.119453825	-0.58899665	0.8175976	-0.23239934	0.194671	-0.58375394	-0.0713207	-0.19197237	-0.02412664	-0.9999224	-0.05784166	-0.07366633	0.08259861	-0.85997856	0.23865631	-0.31974092	-0.7526161	0.43773648	0.3523994	-0.84004337	-0.6930528	0.76578724	-0.72034526	-0.77713376	-0.986846	0.6963519	0.38082197	0.15740435	-0.00531232	0.33143482	-0.037498094	0.29440296	0.62709135	-0.053478144	-0.13870749	-0.0880218	-0.18207575	0.2482814	0.29899612	-0.044198126	0.7869611	-0.45954004	0.002285284	0.6920057	-0.5627909	0.8805368	-0.5418384	-0.044294856	-0.23386508	0.10032355	-0.6838696	0.7750684	0.8079132	-0.193951	0.2515897	-0.14979786	-0.35988125	0.62729967	0.23515925	-0.040437955	-0.1818376	0.061795745	-0.34031707	-0.1845	-0.050284144	0.016937794	-0.6766299	-0.75413215	-0.5065984	0.2005013	-0.38243693	0.9997984	0.12944831	-0.13533294	0.052196812	-0.7720603	-0.75407386	0.1973436	0.124809	0.4799023	0.22387679	0.93307906	0.40820596	-0.18114369	-0.6160088	0.36201498	0.5537599	0.7033467	-0.9715936	0.088500544	0.14765044	-0.6900867	0.18912046	-0.14970842	0.24901515	0.08822945	1	-0.99081975	-0.39108616	-0.3671513	-0.18667538	-0.15985978	0.75227326	0.2552297	0.1300763	-0.7329737	-0.99956167	-0.14206497	0.55293345	0.46906084	0.31648645	-0.1652341	-0.093607776	0.34147504	0.80678195	0.15585533	0.06698817	0.086223975	0.7918354	0.2929085	-0.4363621	0.044714574	0.6544786	-0.45180205	-0.38651827	-0.8009056	-0.5444127	-0.6041541	-0.22872882	0.45916215	0.5035391	0.2617174	0.49861112	0.720355	0.34253854	0.6119709	0.16374204	-0.17764021	0.32905215	-0.39053008	-0.40877354	0.21131548	-0.3897382	-0.42980993	-0.074371494	0.8363765	0.041094735	-0.0583922	0.10746597	-0.984797	-0.34804845	0.45160744	-0.58623785	0.41747677	0.48133975	-0.20289822	0.4236372	0.9997381	-0.4391427	-0.4612495	0.3090853	-0.56616896	0.11323112	0.24223173	-0.9034847	-0.56164366	0.44963402	0.470784	-0.6185757	0.69409436	0.19646928	-0.7999949	-0.4773416	-0.8460041	-0.4962656	-1	-0.5252755	0.5680511	-0.7130945	0.27367756	0.47744995	0.4271518	0.18822166	-0.21344602	-0.75552386	-0.39978495	-0.5585027	0.24409133	0.7393845	-0.87552434	0.039785262	0.088215925	0.17530827	-0.18964513	-0.47587562	0.6593101	0.27458814	-0.6820976	-0.4431877	-0.6496141	0.7653122	0.03539671	0.12280245	0.088924184	-0.70945567	-0.7179313	-0.12942521	-0.89383537	-0.29914585	0.3011678	-0.05513152	-0.5634229	-0.24171793	0.108709015	0.43884695	0.4123419	0.9577468	0.5563574	-0.97188544	0.50337225	0.9990293	0.4970596	-0.4816809	-0.9921935	0.47089964	-0.8480549	-0.51543605	0.02213286	0.5411119	0.002635317	-0.60143393	-0.82952935	-0.43596178	-0.098940164	-0.34164327	-0.17707515	0.23451497	0.41094276	-0.99959314	1	0.9139081	-0.50779504	-0.09453611	0.19982523	0.59700066	-0.06872051	0.069936946	0.07747886	0.3757448	-0.3226578	-0.47362024	0.18002237	0.5991873	-0.21295764	-0.46609494	-0.06400126	0.2358001	0.9906793	-0.9950818	-0.2919177	-0.6414245	-0.650167	0.21388218	0.16311654	-0.87320775	-0.29147184	-0.3045986	-0.32840016	-0.56538534	0.3340165	-0.343543	0.75963557	-0.45366684	0.29563487	0.04345451	0.7495289	-0.021596408	-0.64208394	0.47221303	-0.08434646	-0.08311505	-0.352007	-0.8673909	0.7674808	0.22694382	-0.36562398	-0.23511483	0.25228617	0.023541668	-0.74227035	-0.6942236	-0.38583636	0.21344818	0.9997561	-0.6639881	0.13604406	-0.32969722	0.31667244	-0.3899684	0.9999704	0.34948647	0.057888832	0.23586905	-0.073853314	0.108429655	-0.54215527	-0.99942946	0.15258984	-0.11457105	0.5587678	0.739571	-0.35777014
216	0	CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12	-0.6893194	0.048052173	0.52545017	-0.6813563	0.5417465	0.48042396	0.07914706	0.25584963	-0.27824235	-0.13184355	-0.37678835	-0.11375596	0.7136525	-0.2426831	0.48803818	-0.29246002	0.24804896	-0.20428967	0.24527453	-0.41347396	0.005837486	0.019173387	0.3017961	0.46089026	0.7115758	0.47079962	0.7685857	0.1956887	0.60231745	-0.41876292	-0.46067023	0.023551814	-0.018205447	-0.08339661	0.64455986	0.705367	-0.10912388	0.005989743	0.99926925	-0.7920301	-0.15229395	-0.13419876	0.15197003	0.11892814	0.31948337	0.16917054	-0.4944788	-0.6939567	0.0814067	-0.43058735	0.69914854	0.6615328	0.64250046	0.55086136	-0.17238058	-0.5392472	-0.8512808	-0.5341157	-0.5287242	0.28692642	0.40296075	0.44384447	0.57457244	0.56089145	-0.3653716	-0.02390901	0.014737771	-0.60092634	-0.39357364	-0.20710611	-0.92193323	-0.77122545	0.3600284	-0.9586331	0.6133705	0.32581836	-0.3663913	-0.3635038	0.34544235	-0.99927217	0.5940391	0.28357622	-0.9783551	-0.3225376	-0.45070705	-0.92570215	0.004571263	-0.39830008	-0.03220013	0.6119242	-0.31976375	-0.003968749	-0.3083211	0.27017218	0.9930295	-0.3936145	0.8467993	0.14227231	-0.26297864	0.12804167	-0.00999071	-0.043956332	0.42680117	0.94252664	-0.99729633	-0.96912605	0.2967956	-0.32098392	0.9761484	-0.34698534	-0.17329639	-0.13215634	0.06582614	-0.029126767	0.44011867	0.14122082	0.34731868	0.1689674	0.96877825	-0.043269735	-0.4527928	-0.30506596	-0.2151576	-0.2835607	-0.15091583	-0.5807621	-0.53789264	-0.3712492	0.29643622	0.999678	0.0000920	-0.76442885	0.12542081	0.12717989	-0.12631106	-0.9802691	-0.3100327	-0.5098129	0.18233453	-0.6182778	-0.9999968	0.40401453	0.7585821	-0.004619733	-0.3318237	0.34122238	0.30283433	-0.77641994	-0.97536653	-0.25872594	0.6375613	-0.8386171	-0.83476454	0.54094625	-0.026313858	-0.5819151	-0.41771063	-0.3918842	0.20541115	-0.8619078	-0.6920545	-0.06148395	-0.34429467	-0.36918426	0.08297361	-0.042217433	0.3308806	0.41517845	0.02494991	0.48387146	-0.074116886	-0.30639932	-0.21947953	0.14567485	0.33074793	0.43378723	-0.63818824	0.23245992	-0.6809225	-0.43598762	0.21914586	-0.57661617	0.12767993	0.21960413	0.33202976	-0.15436134	0.4481613	0.058215726	-0.20570548	0.122561075	0.6161734	-0.21533677	-0.28835863	0.6800395	0.3385701	0.080134064	0.22117472	-0.6125357	0.5724418	0.25018984	0.076987304	0.013677136	0.22808743	0.32086283	0.71175617	-0.095294595	0.3630784	-0.48604536	-0.19266157	-0.9998536	0.34457907	0.23320958	-0.19424553	0.40666574	-0.5449007	-0.04205989	-0.41942465	0.4580111	-0.27065027	-0.7964545	0.20906985	0.35296604	0.74614	-0.16761449	-0.9729461	0.08082733	0.17564666	-0.03173706	-0.45389608	-0.23660354	-0.37467661	-0.81957495	-0.038364083	0.34929845	0.5147997	0.57884675	-0.020741815	-0.6657754	0.37662256	0.08269114	0.89974415	0.5432829	0.39537263	-0.3061239	0.6925657	0.6499901	-0.3402663	0.22623631	-0.25896108	-0.17624328	0.079264924	-0.016658567	-0.40070638	0.50673914	-0.13778761	0.1925158	-0.6166396	-0.021738533	0.30029553	-0.09746029	-0.020620974	-0.16541612	0.17817983	-0.9042941	0.13048115	-0.28450304	-0.21064621	0.45259467	0.9676223	0.51405084	0.5984899	0.99900895	-0.35154757	-0.010038373	-0.18667695	-0.35694873	-0.53173167	-0.23952284	0.4229822	-0.3529131	0.11503181	0.9944485	-0.20315465	0.26118946	0.4974924	0.52287066	-0.4199772	0.89263093	0.9641074	-0.034318663	0.26026478	0.7979728	0.33372176	0.06392061	-0.086490706	0.38380998	0.99999976	-0.9869198	-0.20244078	-0.03948069	0.8824712	-0.049996167	-0.67094284	-0.12892872	0.9727366	0.6081158	-0.98394084	-0.41423672	0.12247575	0.43908328	0.16480827	0.08499451	-0.30302256	-0.34149504	0.69497234	0.52779317	0.3711523	-0.7608735	-0.999951	-0.39999208	0.26132968	-0.35323805	-0.594078	-0.56360006	0.4538347	-0.28260335	0.4407124	-0.66149	-0.2651046	-0.11814299	-0.631349	0.30928093	0.7939673	-0.15467966	-0.40393013	0.7433044	0.6197905	-0.54925126	0.038655058	0.37846994	-0.46590218	0.28807774	0.25361782	-0.053318482	-0.10900421	-0.3744308	0.093646705	0.16321215	0.41561183	-0.78616834	-0.87357205	0.034299877	0.35228834	-0.07395975	0.44173324	-0.7765467	0.58887345	0.9981466	0.6811602	-0.5251614	-0.06984105	-0.43908212	0.29909137	0.7331848	-0.5300266	0.019260311	-0.1263249	0.30152807	0.55955315	-0.4313862	-0.009490166	0.7530741	0.3709776	-0.7774345	-0.21648777	-1	0.36831254	0.23981163	-0.14517823	0.53197414	-0.24521959	-0.13183537	-0.35363	0.033434764	-0.13353033	0.21225853	-0.06726417	-0.37248942	-0.19337091	0.7294162	0.10933193	-0.6162461	-0.5860463	-0.41217002	0.05378365	0.2095625	0.26798743	-0.3959694	0.49322638	-0.29601908	0.7874941	0.3515981	-0.35980186	0.46590677	0.57697517	-0.4916765	-0.8490404	0.020491786	-0.1641748	0.070568375	0.72713315	0.4211608	0.4678954	0.38367668	-0.18655165	0.11203277	0.99999964	0.7245021	-0.9729366	-0.5244875	0.99512196	-0.57928216	0.31985244	-0.99993515	-0.1371925	-0.6152153	0.6578205	0.1546813	-0.5547828	-0.026744138	0.523515	-0.2039544	-0.29166484	0.6849859	0.43711877	0.4296871	-0.4025698	-0.61064416	-0.9999213	1	0.08132261	-0.094034754	-0.41271636	-0.24956276	0.58758324	-0.2662612	-0.6180392	-0.5439451	-0.4524177	0.45601833	-0.19952306	-0.60633296	-0.31882182	-0.7737297	-0.5666387	-0.42362946	-0.04824996	0.7984688	-0.99964267	0.13099334	0.016049512	-0.2970431	0.14349812	0.34306258	-0.79879314	0.4004648	-0.24998178	-0.77731717	0.20001768	0.18049686	-0.3110177	0.9839943	-0.41371572	0.7845303	-0.241946	-0.13664289	0.6629049	-0.053750962	0.8152111	0.16884916	-0.09909077	0.0454415	-0.21125539	-0.026306827	0.13267612	0.2845909	-0.33927047	-0.27549785	0.52692884	0.6086586	0.22952005	0.15442687	0.10595483	0.99796	0.46174258	-0.34716827	-0.6396136	0.6914153	0.011344199	0.99916726	-0.21532474	0.90675676	0.48407415	-0.47806904	-0.21857448	-0.76085985	-0.9978551	0.32648578	-0.11779812	-0.35714048	-0.371847	0.15618071
217	0	COCCOCC(CC1(C(=O)NC2CCC(C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2	-0.3435357	0.25569525	-0.6340271	-0.3354361	-0.24100026	0.004208484	0.38796288	0.13551383	0.22361907	0.37083632	0.087728165	-0.24080698	-0.3861213	-0.08694029	-0.3254247	0.58795875	-0.01929001	0.48417413	0.18814084	-0.43008292	-0.05721168	0.6468064	-0.25363937	-0.7695201	0.17970854	-0.4296235	-0.55841273	-0.44284278	-0.15107317	0.3958902	-0.03581762	-0.71388197	0.23551083	-0.26774272	-0.006154989	-0.2771798	0.09823208	-0.5179554	0.99980843	0.5883203	0.9402716	-0.74149585	-0.37336394	0.004502341	0.11812484	0.9878849	-0.6506957	0.3503785	0.7019653	0.33292073	0.18170883	0.6701802	-0.4690914	0.6970386	0.24641366	-0.038860504	0.6066417	-0.9867833	0.8037037	-0.6683307	0.701329	-0.42576838	0.57406646	-0.1626715	-0.23008578	-0.23619904	-0.5609294	-0.24379054	-0.032946207	-0.69263166	-0.97047347	-0.21903405	-0.3356888	0.8173196	0.11633222	-0.21191913	-0.5058531	-0.44522426	-0.28032386	-0.9998052	-0.14838132	0.31578708	-0.95973516	-0.07831365	-0.6641322	-0.91602916	0.11935427	-0.004839907	-0.25553802	-0.19166917	-0.21300557	-0.43391818	0.07866039	0.22703017	0.9996527	-0.41806003	-0.14277232	-0.44302964	-0.20593452	-0.12761936	-0.015555726	0.62546676	0.56856054	0.98918545	-0.9999577	-0.14661211	0.1529407	-0.50165987	-0.9991377	-0.16400044	-0.12461571	0.34143722	-0.4976026	-0.4150961	0.39277726	0.39678767	-0.22118378	0.871969	-0.76120746	0.59619117	0.22330745	-0.08515287	-0.03053534	0.120880425	-0.70518565	-0.37427163	0.33536795	0.24053462	0.1505164	0.99952465	-0.11889019	0.016615089	0.8312314	-0.24620217	-0.4135522	-0.9766924	0.23815681	-0.33677053	-0.35059634	0.47868195	-0.9999994	-0.2545594	-0.7991436	-0.2185301	0.47156847	0.27995294	-0.21335426	-0.33097687	-0.9999525	0.40625346	0.33860153	-0.123052195	0.7156783	0.27414122	0.10324474	0.4737963	-0.3716755	-0.9995901	-0.6554351	0.40460724	0.9378569	-0.1830925	-0.61136305	0.5728447	-0.28841358	0.4055563	-0.5685078	-0.08050854	-0.2750903	0.22325689	0.72014916	0.28364503	0.08316117	-0.51613724	0.56602824	-0.88386756	0.9797882	0.30464303	0.05653825	-0.33196157	0.12271876	-0.99186236	0.26331455	-0.058803834	0.97692937	-0.44651857	-0.53468925	0.5856163	0.335133	0.70541364	-0.60041136	-0.8510283	-0.044137694	-0.12037074	-0.61176515	0.42799035	-0.0896877	-0.5101256	0.31032386	0.59279275	-0.16070823	-0.63805395	-0.55192614	0.41820112	0.19753692	0.56486	-0.37050122	-0.002736584	-0.33096015	-0.9998548	0.29663292	-0.20848174	0.24010797	-0.6869091	0.38014212	0.6393995	-0.49077287	-0.5381478	0.6029967	-0.43898353	0.39903626	-0.09243812	-0.6880225	-0.35007167	0.91424024	-0.31117103	0.108296946	0.037518755	0.60424465	-0.3220862	-0.061259482	0.42590147	0.74856955	0.44764036	0.47240376	0.07246059	-0.525323	-0.17619441	-0.8011784	-0.1937939	0.7881718	-0.79114175	0.39213642	-0.2411456	-0.6936923	-0.3645147	-0.08055644	-0.5440041	-0.24277806	0.267737	0.798108	0.046958778	-0.24265797	-0.5338575	0.47889575	0.25349426	0.23890324	-0.38418514	0.084580466	-0.6579483	0.3715506	0.08582156	0.6186656	0.66581416	0.15524493	0.7210018	-0.23327745	0.5433831	0.8309821	-0.14308542	-0.4592013	0.99949324	0.3729888	0.39063698	-0.626367	-0.39139637	-0.3696965	-0.5645541	-0.09362567	0.7021282	-0.37164998	-0.35673988	-0.34902474	-0.2116445	-0.45363256	0.56026983	0.89026964	0.31493497	-0.9827653	-0.34361827	0.527341	-0.9914345	0.40186086	0.03752084	0.3682132	-0.4857365	0.99999994	-0.97763455	-0.77223	-0.46706536	0.14200476	0.02084372	0.24076088	0.62017274	-0.5002413	-0.6394323	-0.99996597	-0.74576324	0.91720396	0.3651614	-0.4326041	0.32328352	0.49235094	0.09959491	-0.57909805	0.2554488	-0.009717273	-0.012812603	0.86631703	-0.8615322	-0.8207768	0.41283205	0.5421128	-0.6359409	0.15434013	0.36330697	0.7347989	-0.5297409	0.75886935	-0.11985681	0.30914125	-0.2673872	-0.572888	-0.4407847	0.09170029	0.6335259	-0.74591833	0.43745124	0.5167475	0.12237679	-0.24048938	0.19914232	-0.027814664	0.066935845	-0.120689705	0.1782848	0.33969623	0.21734369	0.36595643	-0.9978865	0.89721847	0.36122864	0.58827615	-0.17013673	-0.73908347	-0.3528072	0.22560737	0.99870753	0.15828088	-0.24506001	-0.08703122	0.23674712	-0.15947314	-0.20579858	-0.7881191	0.050440244	0.118528776	-0.40004936	0.41025305	-0.2382143	-0.4572937	0.16725284	-0.5241243	-0.8559981	0.13876858	-0.9999995	-0.10002161	0.15248398	0.21820307	-0.09313854	0.75552386	0.31265458	0.5367812	-0.47126827	0.1983938	-0.52991223	0.06745874	-0.07318757	-0.83117396	-0.75694364	-0.32603827	0.52714455	0.1847062	0.079573914	0.15628232	-0.42431068	-0.040519208	0.12349683	-0.8564093	0.25776565	0.994264	-0.46606144	0.30917078	0.2190325	0.10833401	-0.7431594	-0.3201687	0.09265669	0.3518966	0.10123746	-0.7110845	0.20126471	-0.097639486	-0.7111622	-0.5416371	-0.79860735	0.91944915	-0.55061996	-0.94332546	-0.3656504	0.99799955	-0.5615582	0.16830508	-0.99265134	0.112752154	-0.90749216	-0.43059242	-0.17584307	0.1044398	-0.03137348	0.5936474	-0.70871985	-0.13226831	0.10580248	-0.35614675	-0.46948013	0.48943758	-0.42647654	-0.9862813	1	0.99124384	-0.7401034	0.3074346	-0.14782438	-0.006060412	-0.23974116	0.7628983	-0.12715454	-0.5808629	0.1705771	-0.17381717	0.7037596	-0.50709784	0.5178207	-0.22572131	0.12403723	-0.50611806	0.9987406	-0.80056363	0.09772444	-0.39401978	0.019240739	-0.19010724	0.09031384	0.4631845	-0.4307984	0.23836164	0.6433988	0.16796172	0.19491614	0.7466267	0.9672107	-0.4922361	-0.57576823	-0.018022787	0.21643685	-0.16835259	-0.15492328	-0.4254727	-0.35933048	-0.37400526	0.011555876	-0.9838347	0.6986508	0.013809385	-0.19071712	-0.25511664	-0.67799556	0.6537582	-0.8953916	-0.093849294	0.14064363	0.20498312	0.99990416	0.055390112	-0.68354255	0.47610053	0.7474194	0.25482062	0.9998407	0.54410285	-0.51396936	0.13376406	-0.20919117	0.100179344	0.19658293	-0.9996749	-0.4026949	-0.06725998	-0.043012515	0.3413834	-0.4751252
218	0	O=C1CCCCCN1	-0.51284146	-0.38037083	-0.53989977	0.3656694	-0.15200941	0.48204854	-0.01796394	-0.37149787	0.36012074	-0.13699488	-0.058240265	-0.13267742	0.3128861	-0.3875825	-0.012143703	0.7434426	0.17146659	0.07864817	0.25551325	-0.44367442	-0.006557132	-0.90735877	-0.22761345	0.33720446	-0.087628394	-0.28788373	0.4115005	-0.28147215	0.01794894	-0.6055826	-0.32353845	0.777973	0.41266283	-0.07895937	0.12816013	-0.33884087	0.31206053	0.26354432	-0.9590198	-0.8521239	-0.997538	-0.17921703	-0.11171347	-0.14674605	0.39570215	-0.9965582	-0.11383749	0.2818704	0.9560351	-0.20342611	-0.090014555	-0.43929428	0.004818616	-0.19745512	-0.8831413	-0.37568176	0.677006	0.98130715	0.02313163	-0.17132306	0.00672802	-0.5302554	0.21121085	0.30055797	0.55085224	0.088760056	0.3396857	0.4486989	-0.40836135	-0.19187488	0.78711045	-0.99755937	-0.3718133	0.8375719	-0.12892956	0.6564746	-0.2328479	0.2771598	0.38341203	-0.99975723	-0.80208546	-0.14770812	-0.24828942	-0.38971904	0.28550646	0.8869869	0.7665201	-0.13785008	0.26501426	0.19569555	-0.17283247	0.006060114	-0.054740023	-0.1934715	0.9105571	-0.15974909	-0.557697	0.4382751	0.37374339	-0.33794245	0.74017566	-0.011323707	0.13922538	-0.51182395	0.9941239	0.46122992	0.36493805	0.24557649	-0.8757629	0.42447165	-0.4465195	-0.07683638	0.29672948	0.10428396	-0.35781434	0.35662112	0.42230338	-0.19606555	0.9976456	0.431428	0.15896453	0.043769203	-0.15822977	0.26843324	0.1292255	-0.05617758	-0.759144	0.5332109	0.3293083	0.9922832	0.017908668	0.37920988	-0.018103916	-0.16126186	-0.51792383	-0.70826256	-0.06428199	0.15465896	-0.061326243	-0.19110234	-0.9904385	-0.18888713	0.959669	0.003819089	0.12553589	0.3646264	0.4871257	0.17143677	0.99788886	-0.31635728	-0.31633708	-0.08839673	0.040727485	0.3901679	-0.20641789	-0.7362294	0.11282863	0.9993721	0.7759895	-0.06656247	-0.9901988	0.08994923	-0.045659952	-0.014721524	0.1932427	-0.08603317	-0.40149164	-0.16791527	-0.29160503	-0.045371674	-0.76683754	0.06381278	-0.017080672	-0.21845247	0.14163221	-0.9782921	0.57505363	-0.15482235	-0.5504298	0.13853666	-0.31832784	-0.4120642	0.06997178	0.4980464	-0.9719807	-0.40076113	0.16955198	0.06350611	-0.3388482	0.5923308	0.43456677	0.39853364	-0.24876799	-0.1524621	0.34553424	-0.31297436	-0.13721432	-0.6905465	0.62037486	0.15484883	-0.12231594	0.010022542	-0.06762691	0.45037007	0.010073869	0.44069335	0.08353915	-0.1343882	-0.45560688	0.69388336	0.040600214	0.05579513	0.2722331	-0.42793325	0.1395978	-0.2530426	-0.5082184	-0.020681195	0.16285765	-0.25438204	-0.6636908	-0.016293153	-0.07322242	0.45810568	-0.78411645	0.5366384	-0.223234	-0.4210404	-0.10670178	-0.19807634	-0.29292983	-0.7750077	0.7234415	-0.44213292	-0.06451472	-0.16584201	-0.23317055	-0.13534726	-0.5261573	-0.20566832	0.6779395	-0.31041968	0.023967113	0.16008835	-0.53010535	0.22492138	0.20333467	-0.20146452	-0.16991039	-0.07607896	0.4932444	-0.99369204	-0.1557796	0.093066335	0.021963982	0.52435637	0.16006365	0.11615545	0.1916554	-0.1417361	-0.40414158	0.65300816	0.09322474	-0.6788236	0.112721585	-0.07406594	0.3143701	-0.31004953	-0.7179737	-0.57519865	-0.42864984	-0.93662673	0.30969825	0.36172953	0.41230342	0.9252338	0.053697474	0.078944206	-0.000794086	0.70021385	-0.4042007	0.9986859	-0.037719514	0.47278574	-0.4359215	-0.115062006	-0.4228449	-0.7325743	-0.37289196	-0.3431276	0.24081177	0.9990628	0.19163156	0.13601926	-0.33436504	0.7416503	0.9969339	-0.574711	0.022719497	0.25900653	0.36630434	-0.115465604	0.7693838	0.35678238	-0.01594862	0.12058684	0.999599	-0.15213078	-0.4954163	0.35363343	0.09096772	0.18699683	0.17758459	0.6286586	0.7656713	0.005294275	0.21289614	-0.5757489	-0.97017366	0.2022852	-0.40783057	0.4941274	0.34484547	-0.59726775	-0.06706388	0.3787803	-0.36922413	-0.8849727	-0.064068936	-0.26881	-0.012099915	0.33858085	0.14336582	0.09822742	0.30476016	-0.4073825	0.016350064	0.15391578	0.05252783	0.21621513	0.74676186	0.44568428	-0.4113342	0.7922402	0.005546915	0.3522509	0.4151507	0.5104636	0.100471206	0.96363336	-0.9935962	-0.30762807	0.14975972	-0.07789028	-0.10932175	0.3468213	-0.07044963	0.7159602	-0.72201455	-0.25810394	0.23842905	0.14772439	0.50960916	-0.5360163	0.073869124	-0.545619	-0.5187712	-0.686445	-0.50382644	-0.035501562	-0.20952237	-0.5235645	0.34582585	0.9495573	-0.16411465	1	-0.013194722	-0.078407645	0.5094422	0.013773013	-0.8759416	-0.20816137	0.61558217	0.17683421	-0.064845584	-0.5424951	-0.3742334	0.2793061	0.2778435	-0.25736645	-0.023891417	-0.24226479	-0.527691	-0.034077156	0.10756117	-0.052718733	0.27749357	0.7563147	0.77072096	0.34556454	-0.8336278	-0.25038835	-0.25858167	-0.3454612	-0.10604864	-0.6180302	-0.30651546	-0.33974952	0.11730242	-0.11731978	0.7366329	0.02044453	-0.34601003	-0.23056066	0.3266009	-0.32839617	0.999884	0.5810394	-0.8822841	0.2247653	0.97797674	0.12028646	-0.29464367	-0.9956639	-0.4661707	0.52269113	-0.12348454	0.26250732	-0.4973905	-0.15613839	0.14322063	0.76347345	0.2135783	-0.374918	-0.0429886	-0.49166828	-0.23273674	0.01375321	-0.9997842	-0.99886745	-0.9940423	-0.6048863	-0.59740895	0.43247938	0.4306819	0.29387587	-0.45023462	0.5182329	0.29325697	-0.21567068	-0.048694614	0.042092264	0.44927487	0.565523	0.50674075	0.40299588	-0.64805084	-0.9954395	-0.9996748	-0.5670618	-0.39480332	0.063606724	0.39646214	-0.16133045	-0.9611926	-0.8430097	0.25794792	0.5080234	0.013438055	0.20692125	0.09891653	-0.19517343	0.33185956	0.90317196	0.25818542	0.33942592	-0.27393982	-0.711278	-0.1426446	-0.07274514	0.26403564	0.76207936	-0.086452566	0.44111645	-0.16182923	0.5659518	-0.79848707	-0.27597344	0.33836502	-0.96539664	-0.21966	-0.27479428	-0.27984753	-0.99136597	0.29368964	-0.54074126	-0.33903295	-0.2895474	-0.21344756	0.9998413	-0.22006787	-0.06519903	0.19809428	0.15292144	-0.14733247	-0.12498903	0.95189446	0.4418332	-0.09814649	-0.34371895	0.608336	-0.093150154
219	0	CC(=O)c1ccc2c(c1)C(NC(=O)c1ccc(F)cc1)C(O)C(C)(C)O2	-0.24631491	-0.33802015	0.025137149	-0.15252203	0.1578896	-0.3070691	0.16045016	-0.44546703	0.33741266	-0.46157092	-0.26337254	-0.045811366	0.40003058	0.33137327	0.21520436	-0.41395292	-0.68765324	-0.5760024	0.75520724	-0.26405385	0.39113563	-0.4501149	0.07233762	-0.25588033	0.50917244	0.26584718	0.18788958	-0.21211183	0.5347393	-0.5996343	0.24881499	-0.52745914	-0.3399575	0.55932003	0.65012366	0.4911469	0.33330005	0.6926908	0.9991386	-0.35032088	-0.20422785	-0.46127483	0.29063874	-0.441524	-0.15949482	0.16877057	0.24647042	0.6437608	0.5815992	-0.08932871	-0.28769335	0.56131315	-0.28237304	0.55567044	-0.37760773	0.165737	-0.35850945	-0.83503145	0.42257616	-0.17363825	-0.15414847	-0.63714975	0.2782219	-0.27054048	0.48080522	0.42114663	0.080844864	0.005874777	-0.021508884	0.8698428	-0.8514831	-0.96662545	-0.20679027	0.24642502	0.6857154	0.41808805	0.25288698	0.101301216	0.022151072	-0.99957675	-0.15500325	0.10377523	-0.9431861	-0.26576918	-0.28954145	-0.716988	0.36334947	-0.14863175	-0.3575371	-0.46913022	0.35785708	0.4471642	0.69203687	0.4992896	0.9990502	0.16099565	0.058978505	0.5085244	-0.6817067	-0.5595898	-0.65493184	-0.11628546	-0.7997954	0.8415402	-0.99845994	-0.46839374	0.67809075	0.18917705	-0.99956137	-0.4320976	-0.45167726	-0.25676897	-0.5849737	-0.6072682	0.36681685	0.33499518	0.42424574	0.29964346	0.97223437	-0.27616468	-0.34242395	0.59649116	-0.42372182	-0.3662131	-0.006040425	0.33800855	0.12308874	-0.18992057	-0.23623464	0.9992206	0.12151904	0.019429792	0.2521249	-0.48270643	-0.5667761	-0.81289405	-0.13274637	0.38564134	-0.09449344	0.49775335	-0.9999996	-0.15431243	0.41837147	0.58421624	0.12924862	-0.027777283	-0.1480884	0.5322969	-0.982937	0.046668384	-0.09088667	0.23886314	0.4946034	0.1341302	0.04896592	0.27437395	-0.08059515	-0.7008504	-0.8974791	0.6719785	-0.5871706	0.57012945	-0.384918	-0.15890653	0.20653543	-0.38647765	-0.08026753	0.33628878	-0.5321463	-0.5893705	-0.15618572	0.17657025	-0.04709511	0.18385026	-0.39561534	-0.91943127	-0.5106128	-0.027975503	0.03956556	-0.074045524	-0.12705564	-0.83588624	0.46214253	0.08392171	0.7974592	0.040821593	0.52076167	-0.5106293	-0.17405732	-0.70744205	-0.4800512	0.38224044	-0.5627155	0.6334806	-0.09017739	0.5894295	-0.20216027	-0.61871964	0.13300802	-0.24506857	-0.023084776	0.4308769	-0.12595879	-0.18585815	-0.42698678	-0.29721764	0.82268924	0.3542212	0.5260548	-0.999865	-0.23296502	0.37995622	0.6834083	-0.13734029	-0.008283511	-0.57567394	0.6928951	-0.1727129	0.03760882	-0.0941612	0.73363626	-0.3049296	-0.49283937	-0.73175037	0.9900473	-0.28186524	-0.23588276	0.19046488	-0.14086893	0.13040338	0.09502861	-0.47289026	0.7770434	-0.10408309	-0.37833843	0.13882212	-0.5842413	-0.4724069	0.007534241	0.5662031	0.91202706	-0.35173142	0.7342653	-0.2810853	-0.3090472	0.5118255	-0.41287723	0.13037546	0.2388562	-0.5552275	0.056700185	-0.731454	-0.17857988	0.5386792	0.34341654	-0.20572862	-0.12943365	-0.3237297	-0.061415955	0.72695714	-0.35631165	0.6681457	0.016134443	-0.50752836	-0.23577787	-0.45293522	0.03958209	0.63821816	0.48875198	0.32582733	-0.69628745	0.98606265	0.2673625	-0.4126653	-0.7662128	-0.65159297	0.6400569	0.61618423	0.23676191	-0.7058463	0.43357915	0.9926141	0.5822359	-0.07344393	0.21220176	-0.16828303	-0.706214	-0.16183646	-0.96095294	-0.06469115	0.5845388	0.587299	-0.38600865	0.5574938	-0.027966417	0.1585834	0.9999999	-0.9599928	0.7513071	-0.7629763	-0.45523882	0.24083029	-0.26554468	0.058359105	-0.5607606	-0.6192872	-0.98670316	-0.33060494	0.5925154	0.5156462	-0.35873505	-0.46774492	-0.4149438	-0.23387636	0.15904918	0.1343652	-0.083177105	0.1479156	0.9445628	0.013188989	0.33669785	0.29384664	-0.44516662	-0.29105148	-0.22181141	0.44074795	-0.45888194	-0.5616085	0.262271	0.05909295	-0.2078534	-0.226244	-0.07102504	-0.77589095	0.6710728	-0.03059528	-0.49490172	-0.67848873	-0.40665868	0.2825431	0.47899705	-0.28457054	0.27192792	-0.21418484	-0.3679312	0.0998267	-0.062042296	-0.16926561	-0.02384032	-0.93784076	-0.7124765	0.20282155	-0.67447543	0.44919154	-0.5624165	-0.7738969	0.1349409	0.99971366	-0.23419309	0.48697716	-0.44747332	0.5688007	-0.34003788	0.005977108	-0.74943614	0.06956566	-0.18102516	0.35375392	-0.0983072	-0.5061336	-0.6182168	0.6166917	0.16944616	-0.38418406	0.2725436	-0.9946755	0.50154173	-0.22765005	-0.5780507	-0.71883136	-0.34897685	-0.062460538	-0.6757677	-0.69522727	-0.001101393	0.4167495	0.75912225	0.1301384	0.5438836	-0.26637745	-0.095994264	0.58397555	0.1336871	-0.06981437	0.33144477	-0.17189977	0.23394242	0.2295019	0.066673934	-0.18379483	0.8232418	0.5852289	0.32303998	-0.05299513	0.27050006	-0.18903743	-0.14687967	-0.52633345	-0.64472616	-0.62494665	0.2363341	0.11949044	0.11903566	0.16465409	0.28522262	0.7402859	0.91785645	0.8112578	-0.9700978	0.22456136	0.99979025	-0.3544184	-0.47262603	-0.9647314	-0.41088527	-0.5980767	0.31886894	0.83845025	-0.57074845	0.4096243	-0.04470545	-0.19827987	0.28532377	-0.16710915	-0.15388264	0.35448584	0.30777824	-0.3313705	-0.9999782	0.99999964	0.28052637	0.15010014	-0.4939663	0.5701614	0.1628269	-0.45120826	-0.7096525	0.08027977	0.11078189	0.60240173	-0.7452632	-0.17103274	-0.30667794	-0.3194291	0.7842538	-0.362803	0.4139327	0.89085907	-0.99980414	-0.46866757	-0.69773	0.25515258	-0.19615784	-0.3411999	-0.51668096	0.43399745	-0.56949794	0.42602915	-0.63424206	0.4356995	-0.49316362	0.9646309	-0.6539693	0.8281695	0.09996886	-0.14968081	0.046078946	-0.5548569	0.11199226	-0.13365252	0.23506293	-0.30803016	-0.81403226	0.1428379	-0.52805156	-0.10166349	0.6962497	0.21828431	0.48273513	0.28037703	-0.5695284	-0.77647007	0.14210582	0.9974338	-0.36016703	0.49435043	-0.49200097	0.32174572	0.08662649	0.9999784	0.10108934	0.54156303	0.16748069	0.051492065	0.16885594	-0.4517748	-0.9970769	-0.6168152	-0.2947643	0.40739277	0.7401402	0.3229015
220	0	NC(=O)N1c2ccccc2C=Cc2ccccc21	-0.8484941	-0.40177235	0.6591526	-0.12794502	-0.18885915	-0.5446897	-0.31004757	0.44343823	0.15563677	-0.28808308	-0.3150115	0.0798529	0.6565967	-0.5228727	0.2089629	0.68428504	0.27754605	-0.292267	0.39170766	0.252442	0.8955447	-0.71956325	-0.5013394	0.62480557	0.5378372	0.69926214	0.61495054	0.5197422	0.019072287	0.000493133	0.30966437	-0.1566121	0.42725042	-0.020071318	-0.06431022	-0.60250676	0.6868493	0.6438495	0.9910079	-0.84204614	-0.9587206	-0.15042354	-0.45373315	0.22939153	0.5058776	-0.9615984	0.7168375	-0.3373106	0.8989578	-0.013883829	-0.442219	0.037703417	0.24097808	0.24920808	-0.94139487	-0.3460551	-0.4720041	0.6084639	-0.27153698	0.5329665	0.20034774	0.48736647	0.5267962	0.2594919	0.7045008	0.65181094	0.2321432	0.56424683	0.41020545	-0.27400014	0.63209754	-0.9156073	0.121395126	-0.32550377	0.40202928	0.32217443	-0.3265575	-0.7214118	-0.1954274	-0.99671674	-0.41862285	-0.65585566	-0.5554856	-0.27916402	0.08115501	-0.6345642	0.2762612	-0.6587437	-0.016290912	0.2437522	0.43036938	-0.24967581	-0.59162754	0.4015944	0.9174416	-0.59886146	0.15254517	-0.41053432	0.36224386	-0.48293853	0.19552323	-0.6805623	0.3183674	0.24174684	-0.75157344	0.24369696	0.6876565	-0.41302484	-0.7077302	-0.5672338	-0.6239083	-0.045386933	0.10370511	-0.08452022	-0.26618758	0.08106384	-0.64211684	0.76567847	0.9985012	-0.7214354	-0.10448035	0.13723232	-0.33912295	-0.2659521	-0.20729429	-0.027174165	-0.63960856	0.3426978	-0.31899232	0.99971604	0.14357792	0.4623743	-0.061815534	0.06955877	0.54174143	-0.69469744	0.68806607	0.75134647	-0.41991174	-0.79201806	-0.999869	0.25867608	0.9682764	0.6686103	0.49362892	0.13512108	-0.14401646	0.4074664	0.37199318	-0.5419124	-0.73450834	0.3785335	0.75333166	0.33893538	-0.7603336	-0.5131048	-0.5657357	0.9577432	-0.3417479	-0.09413448	-0.9588609	-0.23038098	-0.8027803	-0.2582749	-0.53107655	-0.083932124	-0.46484712	-0.015021623	-0.08617547	0.6524791	-0.7854429	0.21866262	0.6738335	0.14194317	-0.3523939	-0.9554363	-0.77918017	0.29870585	0.6644416	0.54107916	0.5393532	-0.74073267	0.46172905	0.3639003	-0.55762386	-0.34716228	0.36674684	-0.40306807	-0.25080875	-0.38297063	0.27075458	-0.29722694	0.0379047	0.25624362	0.5440652	-0.29304513	-0.010682111	-0.14450333	0.6297857	-0.4037008	0.5271898	0.30846092	-0.49130964	-0.20094378	0.46139508	0.7862265	0.32283837	-0.37334934	0.6105941	-0.99980736	0.5686236	-0.1944549	0.094800465	0.20496213	-0.34986722	0.20910515	0.16601843	-0.4334504	0.12491997	-0.07928161	0.6913957	0.12253043	-0.8294538	0.4807856	0.9625502	-0.82115954	0.30009735	-0.3191431	-0.3583794	0.4797552	-0.47657236	-0.4896058	0.37196115	-0.708064	0.592077	-0.6556108	-0.28677055	-0.16434783	-0.5161324	-0.56350225	0.81601125	-0.268557	0.6046907	0.09075762	0.44880348	0.070015565	-0.45990425	0.109735064	0.35535836	-0.11039781	0.628033	-0.7479618	-0.3130145	0.3170814	0.33764124	0.4280659	-0.61500865	0.438679	-0.33694535	0.44449133	-0.52507615	-0.30156285	-0.53187865	-0.44973508	-0.10403514	0.014340275	-0.09905754	0.38166425	0.20310242	0.41401646	0.3250434	0.9212204	0.560467	-0.1642971	0.29817954	0.7946537	0.46888217	-0.41692463	-0.5921911	0.41349542	0.35420018	0.9993829	0.035583645	-0.20575617	0.124759525	-0.15215428	-0.7766709	0.3238522	-0.608701	0.57494104	0.27893698	0.99532	0.003743098	0.5277855	-0.34027737	0.23004162	0.9999934	-0.9922586	0.13848098	0.04776032	-0.11230897	-0.19016458	0.040923074	-0.58491296	0.07518028	-0.79575866	0.47629383	0.15405838	-0.45347568	-0.35679588	-0.28434405	-0.4765695	0.13786519	-0.27382863	0.5488729	-0.085733354	0.45752877	-0.4890208	-0.9783467	-0.3600947	-0.026510933	0.50995505	0.20545527	-0.46408972	-0.41222334	0.3362931	0.16823784	-0.9335201	-0.33423185	0.07864262	0.2986145	0.4669807	0.08669186	0.2010923	-0.110833295	0.513038	-0.25570893	-0.22335345	-0.73634696	0.3421562	0.2784784	0.052491378	0.30990204	0.733496	-0.40580627	-0.354339	0.16808403	-0.08987758	-0.3528306	-0.08119841	-0.9902401	0.68404156	0.35296556	0.012795929	0.22552572	0.37100136	-0.6623408	0.9995687	0.30346495	-0.07632235	0.029091706	-0.61131424	0.05964421	0.039438758	-0.9290661	0.22043301	-0.029561693	0.016275076	-0.6751223	0.56210387	-0.47519833	-0.4172649	0.6690141	0.7484247	0.058079567	-0.968169	0.07673844	0.2581311	-0.2644147	0.35554007	-0.9010454	-0.065988936	0.19205278	-0.67068017	0.28325048	0.35278395	-0.7301434	0.32860538	0.7027333	-0.122668624	-0.39334124	-0.07267263	0.46927887	-0.4603581	-0.38282558	-0.42577526	-0.1434027	-0.49924964	0.9161264	-0.37982935	-0.54900545	0.33974677	0.6445978	0.27160302	-0.8381861	-0.75297076	-0.6896777	-0.60564315	0.1484096	-0.07188929	0.3837556	-0.2549527	0.2875372	0.70527214	-0.698244	0.31894237	0.9999745	0.56340146	-0.91884536	0.20310996	0.99982506	-0.6415166	-0.2556792	-0.99894965	-0.11800175	-0.059951495	0.7380211	0.27794704	-0.51973176	-0.18154228	0.15876475	-0.114067696	-0.17743869	-0.24061635	-0.6633759	0.6563785	0.49971133	0.16692884	-0.99998695	0.99999946	-0.9573978	-0.011639221	0.2098744	-0.20116796	-0.61486745	-0.05058845	-0.51158947	-0.33988136	-0.35109928	-0.653044	-0.8474238	-0.5997248	-0.27103132	-0.392569	-0.16657133	0.575177	-0.1850387	-0.59812397	-0.99994034	-0.6414433	-0.14599837	-0.35207656	-0.74064374	0.041738458	-0.9771142	-0.41838297	-0.32450825	0.480293	-0.44261616	0.21909297	0.20803054	0.94350773	0.3694663	0.48938966	0.43567055	-0.3389962	0.54029876	-0.8503077	-0.3483452	0.16921392	-0.38439766	-0.63314295	-0.9450571	0.32084575	0.23858666	-0.51301503	0.08142575	-0.31400388	0.001189558	-0.15871328	0.22889143	0.028848715	-0.46767816	0.9178305	0.06154601	0.042633805	-0.13492125	-0.39437845	-0.33933064	0.999373	0.22862132	-0.2520042	0.73832583	0.50418764	-0.15796714	-0.58600134	-0.9422613	0.51888484	0.46470523	0.1591199	0.4466909	0.84219724
221	1	COC(=O)Nc1nc2ccccc2[nH]1	-0.011467859	0.35455036	-0.31324753	0.46326777	0.23764126	-0.2431142	-0.43967003	0.43130943	-0.43645072	0.088258065	0.36648265	-0.001989526	0.4866644	-0.34418017	0.18502432	0.4399145	-0.109981656	0.5506279	-0.21498431	0.013132554	0.5894778	-0.8056584	-0.10187027	0.114869215	-0.053639058	-0.06313678	0.3854524	0.07831393	-0.20325933	0.22616747	0.07688934	0.49509066	-0.23600541	-0.28469634	0.3313481	-0.5123534	0.40223083	0.040044066	0.6525944	-0.8728221	-0.98200613	0.24899513	-0.2360951	0.21634622	-0.016297363	-0.99264807	-0.022689369	0.008534801	0.8617613	0.46355024	-0.14775708	0.37159127	-0.27629006	0.12755606	-0.7536461	0.6167105	-0.5585188	0.8919257	-0.22567728	0.0965879	0.6071434	-0.419404	0.5665425	-0.12832336	0.1054015	0.04991873	0.38623306	-0.09553843	0.27212897	-0.4794508	-0.6621957	-0.99661475	0.37987483	-0.6163152	-0.53476876	0.19732544	-0.6786017	-0.44811577	0.63455874	-0.99973845	-0.7546367	-0.018919243	-0.87815213	-0.019749643	0.15538473	0.49025485	0.044187035	0.32024267	0.20967568	-0.058575433	-0.26387787	-0.3838258	0.13429573	-0.026888995	0.9948784	-0.6316652	-0.5958279	0.3092411	-0.32796893	-0.13998939	-0.042460345	-0.45903605	0.6354017	0.39412704	0.6024422	-0.93025744	0.75396895	-0.04994594	-0.99978757	-0.41715404	0.045846235	0.10895281	0.2026665	-0.025079053	-0.08747713	0.44365838	0.12111185	0.4137835	0.9993727	0.26474786	-0.0643424	-0.46225908	-0.14604263	0.053457133	-0.6061606	-0.10849705	-0.5779954	0.148847	-0.022547312	0.9950077	0.6266522	0.032062992	0.20666873	0.21401899	0.22945444	-0.9204995	-0.19577342	0.32353124	-0.17678845	0.25204685	-0.9994174	0.050449245	0.91070205	-0.2689614	0.07309115	0.13878529	-0.12737344	0.08718789	0.9695971	-0.28870592	-0.15831733	0.6390821	0.25171405	0.3673047	-0.76236564	0.29653138	0.117776565	0.9973474	0.17300832	0.78842074	-0.99199283	-0.04737452	0.063669406	-0.03862998	-0.56188583	0.18126811	-0.15193601	-0.23173366	-0.57090145	0.18519172	-0.42853913	0.016588498	0.41604355	0.06543401	0.13182569	-0.7993175	-0.7718209	0.6161298	-0.64987147	-0.53067595	0.70713663	-0.93456227	0.29054818	0.42443776	-0.83596337	-0.5032945	0.57034093	0.3521154	-0.35735106	0.5228703	0.8370124	-0.07416931	0.3893912	-0.17209886	-0.052965544	-0.33045897	-0.29230648	-0.45545894	0.048514243	-0.5095115	0.7134806	0.27950805	-0.5842239	0.07098884	0.57710165	-0.18094218	0.4646569	0.120653935	-0.00838806	-0.99201155	0.001777623	-0.06483846	0.2826165	-0.1453675	0.12375791	-0.021986194	-0.4669256	-0.078109756	-0.2599454	-0.078323424	0.1675224	-0.05446077	0.28490633	0.10163659	-0.9669145	-0.1980759	-0.064036936	-0.18822773	0.00774801	-0.12832889	-0.2103077	-0.45381135	0.4835576	-0.574032	0.031141842	0.2345564	-0.6650119	0.13224779	-0.06329736	0.07899855	-0.97992206	-0.20117724	0.2845043	-0.24346402	0.3998277	-0.41992795	-0.067214884	0.1663464	0.5049993	0.5260507	0.7073094	-0.97554845	-0.23223385	0.34847593	-0.073586605	0.24144149	-0.7947046	0.49016315	0.1614126	0.001239992	0.038162727	0.11848683	0.6156198	-0.40136763	0.50978386	0.1253313	-0.2879604	0.7748508	-0.3085441	-0.059867658	-0.11495606	-0.10718558	-0.4300366	-0.020224607	-0.18790509	-0.42641175	0.2138677	0.83267486	0.5287637	0.60402864	-0.3230351	0.99974513	-0.54773206	0.14829665	-0.18389341	-0.33891305	-0.30970192	-0.9317124	-0.8761232	0.49021894	0.34104636	0.9994315	0.41999704	0.6732982	0.39233747	0.3533622	0.9998486	-0.7675886	0.17490375	0.3216012	-0.23236519	0.10379637	-0.54018474	-0.21797462	0.7866421	0.46454608	0.9808962	0.077582456	0.04009544	0.06430971	-0.067615986	-0.003731774	-0.072303124	-0.09636315	0.04416357	-0.3873052	0.088979445	0.003083649	0.9512053	0.15051252	-0.32991323	0.17026076	0.33135733	-0.6529473	-0.49993265	0.17578658	0.16566625	-0.86913586	0.47737226	0.2704396	0.4750139	0.32977745	-0.32198015	-0.2372143	0.09350276	-0.6898235	0.5198137	-0.14655204	-0.6869595	-0.007982814	0.40098643	0.29674807	-0.11192381	0.84482545	0.37137297	0.4978202	-0.14875126	-0.09868191	0.3242485	0.7485773	-0.9951416	0.29624718	0.28837794	-0.11145536	0.27017444	-0.077980034	-0.2672558	0.9980791	0.49383053	0.13064197	0.08011553	-0.2570875	0.11376225	-0.37920195	-0.49856827	-0.4735773	0.18196504	-0.22748452	-0.19229816	0.43150973	-0.08762673	-0.5571117	0.47410735	0.45537525	-0.09249042	0.9995576	-0.12132024	0.05890215	-0.3249514	-0.10444707	-0.7284203	-0.26872683	0.14670697	0.46962193	0.28722692	0.06486855	-0.1198363	0.31330374	0.34725434	0.63072115	-0.17232513	-0.045759667	-0.20308542	0.4236003	0.13832375	-0.07308331	0.78531426	0.48730412	0.4519934	0.5752751	0.17567141	-0.0773227	0.5636784	0.47925293	-0.4930126	-0.43325305	-0.31648624	-0.38287312	-0.44458073	-0.084919296	0.006006019	0.06984765	0.5364901	0.084330216	0.5141266	-0.0948019	0.9351511	-0.45613775	-0.9747557	0.25723654	0.9997202	0.3810321	-0.19864082	-0.9731027	-0.65391695	-0.08570513	0.31532377	0.26182124	-0.5001676	0.35279155	0.47027537	0.6738201	-0.17612424	-0.12138132	-0.5490631	0.14023262	-0.014616156	-0.40102103	-0.9999722	0.95732206	-0.9840859	-0.3233042	0.27009863	-0.008842098	-0.09630557	-0.4004223	-0.72548896	-0.22339815	0.12012448	-0.072976306	-0.25601205	-0.117943384	0.29129812	0.24714456	0.31911197	0.2466513	-0.15530707	-0.976654	-0.9999637	-0.7753233	-0.028372504	0.11682736	-0.33685896	-0.060265537	-0.78312474	-0.14366442	0.25243473	0.06914173	0.24532926	-0.047165766	0.44456723	0.96980745	-0.5758794	0.8433743	-0.006914737	0.111615255	-0.09270559	-0.60401195	-0.53797096	-0.11926509	-0.62760276	0.7543263	-0.63550514	-0.21032134	-0.14338233	0.13755392	-0.14981326	-0.5038261	0.11226535	0.60615677	-0.38491058	0.037904546	0.28940734	-0.2626686	0.12341675	0.19023441	-0.57093996	-0.11602291	-0.342997	0.9999442	-0.35559195	0.12897244	0.50885326	0.6343488	-0.008281188	-0.026212588	-0.58733296	0.70405275	-0.43977404	-0.4126733	-0.29087758	-0.06823867
222	0	CNC(=O)Oc1cccc2c1OC(C)(C)C2	-0.118822895	0.3603172	-0.11902079	0.107616	0.25311363	-0.47155395	-0.5280877	-0.14163809	0.17157318	-0.33964545	0.43629667	0.33291072	0.3891867	0.4785721	0.20744635	-0.38325676	0.112969294	0.037147656	-0.042010292	0.14359392	0.42805398	-0.39947927	-0.3081891	-0.123195186	0.0158139	0.6879835	0.10269624	0.0759891	0.17730987	0.2332303	-0.060119763	0.35145748	0.22341542	-0.47315273	0.23728374	0.302219	0.79490334	0.5699212	0.95107657	-0.7268178	-0.96047986	-0.35794494	-0.43090844	0.31261796	0.18345384	-0.97731155	-0.38381338	0.5145287	0.8121542	0.7454749	0.030793015	0.17008281	0.42001888	0.11194608	-0.7902345	0.28452155	-0.6048133	0.80006367	0.094941564	0.13577913	-0.5888984	-0.27085713	0.19103257	-0.15850183	0.15087405	0.36664551	0.3472179	-0.07532556	0.5018108	0.118284665	-0.72823584	-0.99539536	0.32106465	0.21759531	0.04547062	0.09803717	-0.24349727	0.3229123	0.40819308	-0.99979687	-0.076043144	0.09034017	-0.8694855	0.04586548	-0.012830596	0.093219586	-0.02222638	-0.2780416	0.18954574	-0.13087691	-0.29531953	0.14978413	-0.21814941	-0.09482057	0.9883536	-0.44891492	0.03126967	0.2018431	0.15753722	-0.3181133	-0.02352844	0.36661938	0.19689244	-0.05691157	-0.3895322	-0.43683383	0.69285977	0.33667588	-0.93168795	-0.30802584	-0.32429355	-0.30813023	0.1927254	-0.49992025	0.1889092	0.18184258	0.004847131	0.73120195	0.9992756	0.22460826	0.4260054	0.17955369	0.2472737	-0.10849072	0.23814933	0.19870628	-0.16840711	-0.58266854	-0.03445467	0.99635315	-0.4079293	0.11673251	0.31227198	-0.21662095	0.11959088	-0.966199	-0.06939202	0.2962063	-0.14186761	-0.0000484	-0.99991477	-0.10728819	0.9566779	0.58747405	-0.42404622	0.046023816	0.33096153	0.32549185	0.804213	-0.42359588	0.33395	-0.096245185	0.47761363	-0.11170254	-0.08867537	0.46607006	-0.48980886	0.98839575	-0.2884791	0.45380372	-0.9873415	-0.2394841	-0.2226141	0.32866806	0.012325161	0.19020626	0.088116154	0.16228646	-0.32362834	-0.35383183	-0.6099798	0.38063517	0.83004993	0.556755	0.6805832	-0.9730136	-0.15474534	0.47626913	-0.40355343	-0.06857363	0.361633	-0.81977546	0.4176333	-0.19392613	-0.43072572	-0.41513404	0.17265289	0.11879029	0.79184824	0.002950654	0.6079594	-0.037728626	0.1809407	0.24677727	0.000605196	0.09060431	0.03937698	-0.87648165	0.23542234	-0.66410595	0.42804062	0.46479288	0.16876028	0.3085312	-0.21554591	-0.27992988	0.5471195	-0.023687687	0.3551203	-0.9991751	0.03500101	-0.21446632	-0.038516693	-0.38518986	0.4307525	0.61728257	0.16795574	-0.26362452	-0.042945486	0.5720127	0.40393868	-0.49949998	-0.057331484	-0.41867417	-0.90816116	-0.16216858	-0.002306109	-0.5602674	-0.21672165	-0.34471425	-0.24008922	0.30430818	-0.352778	-0.6576422	-0.21491672	-0.42793024	-0.45462295	-0.38219354	0.011477112	-0.17754687	0.8740126	0.14640246	-0.34480143	-0.235744	0.21686837	-0.3965773	0.41969782	0.25092858	0.6096954	0.5744216	0.79809046	-0.96668464	-0.4946833	0.4870914	0.3356571	-0.3522472	-0.78452754	0.11618911	-0.2556108	-0.03334995	-0.23794849	-0.25599232	-0.5917035	0.11247275	0.23692434	-0.32580468	-0.33788043	0.762907	-0.23720776	0.48684815	-0.12619531	0.9408776	0.6727426	-0.106749915	0.14006951	-0.7961135	0.7066278	0.8255442	-0.19538614	-0.06146505	0.54069376	0.99964005	-0.67192215	-0.19595425	-0.42986408	0.1349049	-0.047292694	-0.47318125	-0.5178181	0.2436728	-0.3790343	0.9984512	0.5424628	0.8457064	-0.19859861	-0.02471394	0.999976	-0.86958516	0.18075132	-0.013548706	0.3825411	-0.057269316	0.39041904	-0.11440457	-0.3076922	-0.17091036	0.8872589	-0.12272233	-0.3570224	0.6583694	-0.3325768	0.1847944	0.00924321	-0.33050767	0.24416442	-0.23942548	0.3397808	-0.5315616	-0.94037974	0.17262177	0.53253335	-0.05025604	-0.17261997	-0.26742923	0.79359543	0.64994115	-0.5579349	-0.8402534	-0.22857714	0.036972348	-0.01298813	-0.13533054	-0.28089947	0.016329512	-0.27465093	-0.5613372	0.21682681	0.2368222	0.2318577	0.19698477	0.31229421	0.25740638	-0.44192806	0.57197005	0.26884806	0.35776144	-0.34218597	-0.14711757	0.023333125	0.34231427	-0.9907443	0.5337554	0.010312786	0.65075725	-0.050937716	-0.7088651	0.18297622	0.9998209	0.49684188	-0.39890784	0.132953	0.20968512	0.47093275	0.21172166	-0.540102	0.34426215	0.17422305	0.18852626	-0.26095524	0.34290782	0.5820313	-0.20229681	0.1634779	0.59284973	-0.4554145	0.9992667	-0.18431124	-0.48925573	0.046396278	-0.5029674	-0.67999333	0.1740171	-0.24649033	-0.41230118	0.45685104	-0.2245608	-0.3530832	0.49015665	0.16149373	-0.20754045	-0.56809425	0.3296004	-0.051146083	-0.2224371	0.13218044	-0.23610997	0.6358454	0.62046045	0.71951747	0.100806385	-0.32865393	0.5354145	0.51226926	-0.12443145	-0.23551528	-0.020618405	0.28220016	-0.6897778	-0.0896774	0.00930579	-0.4693999	0.6124902	0.27135372	0.23950426	0.41698518	0.0350059	0.99994016	-0.019940956	-0.94531643	0.4942608	0.99991935	-0.17626539	0.063895755	-0.998577	-0.26568264	-0.48056573	0.37079158	-0.1778621	-0.6646084	-0.007366649	0.17669345	0.6155518	0.09355916	-0.30401918	-0.04268925	-0.11740988	0.19327296	-0.31455594	-0.9999834	0.9964193	-0.97581136	-0.16616999	0.3914383	0.111027494	0.10763931	0.11242376	-0.5951017	0.17350037	0.3166074	0.4472947	-0.71868515	-0.69382215	0.35525382	-0.026745066	0.43727192	0.010570265	-0.24409547	-0.9022936	-0.99996483	0.028868973	0.10067085	0.48134822	-0.5673043	0.16360267	-0.8625379	0.28564623	0.20586342	0.19797117	0.2521755	-0.21975029	-0.07081279	0.9721594	-0.3617447	0.9152869	-0.057965096	-0.37087208	0.2668601	-0.18419929	0.210474	0.83293325	-0.34957644	0.1051937	-0.21415591	0.023665752	0.24124052	-0.27026513	-0.12795767	-0.16702136	-0.40978506	0.14359528	-0.21889243	0.023718778	0.06158847	0.47807413	-0.55461687	0.4339524	-0.45691338	-0.053107716	0.2769656	0.9999254	0.39054528	0.58278775	-0.14294708	0.26946005	-0.46549305	-0.22864613	-0.9230982	0.28816774	-0.4154594	-0.27285317	0.39962873	0.5045472
223	0	CC1=C(C(=O)Nc2ccccc2)SCCO1	-0.5828802	-0.05685066	0.15263627	0.1314875	0.054889854	-0.12558222	-0.2362301	-0.63307613	-0.05725519	0.44858092	-0.468746	-0.2219452	-0.25953355	-0.31452563	-0.12642302	0.18292671	-0.3654619	-0.21323048	0.09649246	0.18511425	0.7286938	-0.6297711	-0.2351767	-0.10625183	0.13500816	-0.007988382	0.19732052	-0.415875	0.24411827	-0.13506293	-0.16435145	0.2095655	-0.410029	-0.08046896	0.43327096	0.13781118	-0.31190774	0.55704844	0.9308419	-0.8498991	-0.9955317	-0.3364789	0.6009499	0.04499865	0.26146767	-0.9782701	-0.008574863	-0.16214114	0.96024185	-0.018856363	-0.4433513	0.19153993	0.3067765	0.40245217	-0.3353498	0.14187053	0.058787584	0.7779546	0.41254807	0.03776493	0.05762791	-0.72589505	-0.25588742	0.19694376	0.010166269	-0.20586294	0.115560316	0.59172326	0.34698123	0.5699447	0.084317654	-0.9883569	0.013796183	0.07865677	0.43670237	-0.4152246	-0.088055745	-0.6706286	0.101431526	-0.99971426	0.3481543	-0.032748654	-0.87421477	0.16536969	-0.04262123	-0.28789982	-0.21414168	0.41012836	0.013257759	0.05659099	-0.33288747	-0.04344623	0.123158686	0.05855274	0.9894279	-0.42919314	0.12541686	0.47063518	0.60215193	-0.3396497	0.07135202	0.005917353	-0.15301569	0.92344457	-0.2643973	-0.78993106	0.32591137	0.26392478	-0.8384244	0.013815692	0.005463318	0.347826	-0.62509024	-0.042379927	-0.4629	0.48852092	0.034446474	-0.1840726	0.99846786	-0.16216671	-0.47340986	-0.30794927	-0.23712401	-0.10655653	-0.35072005	-0.16369635	-0.48880142	-0.22819139	-0.5137852	0.99679375	-0.144956	-0.002378504	-0.37821037	0.61301696	0.3567901	-0.9898039	0.33892208	0.552007	-0.3204562	0.6968859	-0.9999963	0.38187057	0.9355602	-0.6543244	-0.24377014	0.10620933	-0.26725233	0.60176903	0.8541332	-0.6938204	-0.02669106	0.6686608	0.012565018	-0.2698594	-0.12249836	-0.17826079	0.29072076	0.9900339	-0.5922331	0.02543415	-0.97459906	-0.5633054	-0.6620119	0.49620533	0.3457885	0.055218276	0.44885418	-0.035703667	0.13564104	0.79889643	0.008831517	-0.13290575	0.22505873	0.023533022	-0.2323456	-0.915067	0.000568106	-0.39426577	-0.20563203	-0.7219053	-0.6062897	-0.43093503	0.05814903	0.27846506	-0.84268725	-0.41040352	0.04860599	0.01099993	0.07089505	0.08203159	-0.41507164	-0.40872374	-0.11174825	-0.18138775	-0.06607254	-0.4343191	-0.6421459	-0.8575576	-0.30924776	0.23607783	0.25683865	-0.23758078	-0.16460523	-0.37630516	0.0482145	0.31504256	0.09463871	0.13240932	0.046342663	-0.9987936	-0.39174864	0.1790887	0.26897904	-0.12210992	0.27362585	-0.12985075	-0.46022663	-0.17506556	-0.25892296	0.09525945	0.58468306	0.24417818	-0.69422555	-0.2409977	-0.93478113	-0.010445232	0.7400755	-0.15214454	-0.28855544	0.70178515	-0.34284416	0.346568	0.66975135	-0.4992191	0.072658196	0.28885955	0.4147671	0.08601791	-0.2744572	0.2599876	0.8834994	-0.05021473	0.034240846	-0.0446691	0.08308917	-0.11959241	0.39044848	-0.7398281	0.7433534	-0.4976842	0.17053953	-0.9746298	0.09149594	-0.041991808	0.47096628	0.20239858	0.14582345	0.42179996	0.09635581	0.20241757	0.20441419	0.6428493	0.63529944	-0.007584434	0.17916852	0.29616153	0.006452379	0.09060506	0.8012637	-0.15066923	-0.21775346	0.736443	-0.73789084	-0.677846	-0.6536216	0.5407886	0.18523936	0.3192177	0.39243677	0.25101054	-0.3635056	0.999476	-0.692537	0.28187197	0.47537568	0.023694644	0.5026729	-0.44852176	-0.81706566	-0.32165843	0.43359452	0.9984394	0.48256758	-0.011586623	0.1243503	0.082093	0.9999984	-0.942635	0.023883926	0.002563102	-0.5169951	0.32024077	0.63898885	0.08919322	-0.515909	-0.14861044	0.8532598	0.52586484	0.56854486	-0.74125946	0.1739946	-0.5409651	0.13055816	-0.37260312	0.79856473	-0.60325396	-0.34076047	-0.1688097	-0.9797677	-0.5803864	0.10476604	0.18190442	-0.6460641	-0.3674574	-0.032235388	-0.03219766	-0.324253	-0.6844245	-0.4604635	-0.70032173	0.15501769	0.48220536	0.08260984	0.13244538	0.67469186	-0.22921927	0.1648763	0.67595	-0.5165079	-0.26044202	-0.19748817	0.38917756	-0.1906214	0.7674981	0.35318467	0.1078996	0.6202297	-0.06870519	-0.22964118	0.54067576	-0.9944343	0.7297271	0.008170939	0.4008618	-0.3824706	0.26608753	0.20685661	0.99981874	-0.30145818	-0.35688972	-0.48768583	-0.030429473	-0.5736972	-0.49974796	-0.16945885	0.71002704	-0.3237679	0.09130539	-0.36961824	-0.24822867	-0.6427419	0.14708476	0.3750152	0.5415314	0.3212246	0.99759495	0.056870166	0.5458879	-0.099285915	-0.36409247	-0.75161755	-0.5234538	-0.5291777	0.296767	-0.43369856	0.41253024	0.53749335	0.63364536	0.4392391	0.30588356	0.35649118	-0.23204893	-0.115997195	-0.40952277	0.22160865	-0.08922901	0.13426048	0.11478559	-0.019307269	0.06642459	-0.22518463	-0.1150236	0.21749869	0.26956788	-0.034362983	0.37331012	-0.037032027	-0.53493774	0.29789612	-0.6572156	-0.15091252	0.23124945	-0.18278246	-0.4602525	-0.07672408	0.08942109	0.99997365	0.05386646	-0.97991294	-0.28611368	0.9996404	-0.4102241	0.2924981	-0.99950486	-0.19029313	-0.43543956	0.24977551	0.30950987	0.077432886	0.061037567	0.14503074	0.5761306	0.57615656	-0.32288507	-0.16256605	0.3983192	0.62812966	-0.55470914	-0.9999777	0.9941315	-0.9435727	-0.115216136	0.61006486	0.31307146	-0.3159588	0.43072823	-0.7708906	0.5408575	-0.17083997	0.22672674	-0.81029946	0.15223894	-0.10668556	-0.29428053	0.63343614	0.050645605	-0.2951487	-0.9153268	-0.9999153	-0.1389054	0.18314797	0.25420535	-0.18014577	0.27109483	-0.9475683	0.1733239	-0.3080865	0.25277382	-0.47697878	0.17203051	0.46607572	0.7837439	0.07447975	0.8376041	-0.124560505	0.07719066	0.550911	-0.6361959	-0.47267827	-0.24512528	-0.03780343	0.028766455	-0.45358047	0.11665452	-0.45099744	0.35081756	-0.57023984	-0.09668271	-0.007605738	-0.71151775	0.37090677	-0.60192025	0.52211875	0.38825095	0.15688603	0.38619772	-0.1703542	-0.3929182	-0.20652285	0.9999146	-0.25154328	0.011185217	0.51604795	-0.2689595	0.5646157	0.4870095	-0.8868048	-0.045995325	0.1989016	-0.20682953	-0.2700043	0.21267968
224	0	CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl	0.73844516	0.5746057	0.016613513	-0.013445034	-0.52981406	-0.4621064	0.19979371	0.18404374	-0.46370614	0.32684678	0.2519107	-0.67572093	-0.86507416	0.34261134	0.61937594	-0.8668118	-0.054391798	-0.4853405	-0.2228688	-0.6226745	-0.34448463	-0.090190485	0.099341996	-0.7188596	-0.687357	0.43077356	0.5663	0.13891204	-0.19537261	-0.43884072	-0.69905835	0.21134256	0.7748053	-0.7735209	0.042902976	0.100860454	0.37279132	0.01781859	0.9994627	0.33531362	-0.5137983	0.38233253	0.437569	0.085805014	-0.728831	0.42774814	0.40473595	-0.09841984	0.92887855	0.65729517	-0.47248545	0.5825097	0.053252537	0.23788801	-0.3133382	-0.5875203	-0.41625637	-0.8777016	-0.6071441	-0.5911408	0.44451484	0.028149532	-0.2592499	0.31161305	-0.31800666	0.41377127	-0.5109755	-0.1615157	-0.06709547	0.1984463	-0.9258271	-0.9454512	0.09840038	-0.7742028	0.09207045	-0.42348084	0.3724752	-0.04441925	0.10464508	-0.9998257	0.2750474	0.14760704	-0.94928104	0.29418835	-0.6260842	-0.6214924	0.2342296	0.832602	-0.6889275	0.60013896	-0.393785	0.6495531	-0.7502025	0.62915605	0.9971714	-0.4093853	-0.015422807	-0.5773827	-0.533313	0.41507182	0.21750003	-0.012860199	0.04433035	0.5159863	-0.9986473	-0.94100994	-0.26188108	0.44786075	0.9780087	0.37476963	0.4827028	0.35178307	-0.4108532	-0.014872102	0.20794852	0.6071246	0.5923221	-0.6812462	0.97192276	-0.4491652	0.7242133	0.5436025	0.13536549	0.16182788	0.35907158	0.049590573	0.2743715	-0.08966147	0.21247979	0.99866444	-0.38185146	-0.59172523	0.614246	0.44892806	-0.34117225	-0.99450874	0.02962476	-0.46073103	-0.33433238	-0.75055546	-0.99964124	-0.019267859	0.36472863	0.43536887	-0.04159723	-0.26232842	-0.45343745	0.09468073	-0.98644024	-0.5222924	-0.2432866	-0.7432696	-0.07058444	0.17709437	-0.6237149	-0.29863164	0.25787848	-0.6470512	-0.70034623	-0.9139046	-0.46797198	-0.27663034	-0.6926607	0.014578556	-0.14575885	-0.20449673	0.54367256	-0.3155599	-0.31639513	0.36638996	-0.49173284	-0.39030752	-0.7795323	-0.5473601	-0.50235057	0.30862305	-0.56776035	0.41797143	-0.16701142	0.929572	-0.09770861	-0.96711856	-0.14169002	-0.549632	0.67095214	0.35397583	-0.08040795	0.5380318	0.19342399	-0.6286822	-0.3303369	0.264995	0.40023148	-0.002269351	0.47650144	-0.038904518	0.3587638	-0.89107436	0.3827069	0.29673198	-0.8050493	-0.41109103	-0.34241843	-0.48059466	0.44441208	-0.2585847	0.019720338	0.22852798	-0.28406608	-0.9998811	-0.07923663	-0.009122645	0.19071536	0.106572546	-0.30100033	0.22814438	-0.07826106	-0.004487332	0.72888327	-0.6159992	0.08360645	0.17924662	0.7701388	-0.30277917	-0.94839543	0.06660156	0.4402971	0.34291828	0.38763082	0.3937644	-0.36545387	0.21928476	-0.42564186	0.2529832	-0.39003894	-0.35979074	0.20434871	-0.03261242	-0.094091974	0.20397651	0.8860152	-0.35328352	0.07386511	0.2073453	-0.3178648	-0.22295336	-0.03588672	-0.57643586	-0.10920678	0.20651838	-0.080653794	-0.9743675	0.53127927	0.42262608	-0.6182786	0.43043366	0.018278014	-0.08248787	0.4977316	-0.6621417	0.30125132	-0.5776062	0.20422468	0.42168885	-0.3141865	0.10268821	0.3677792	0.866282	0.9601895	-0.7377735	0.48981526	0.9994276	-0.09580433	0.32888755	-0.4776694	-0.74897516	0.2130674	-0.16448796	-0.3415387	-0.5590101	0.13573809	0.9866002	-0.21384397	-0.4720876	-0.4646126	-0.054307103	-0.25024283	0.86470735	0.59533113	0.24843639	-0.0662864	0.7228702	-0.890089	0.88069266	0.101817995	0.047106765	0.99983335	-0.9603214	-0.6735129	0.3011007	0.77719384	-0.5546313	-0.24069378	0.59898543	0.71085507	0.53854334	-0.9902125	0.3559845	0.05277041	0.40853906	0.15993465	0.310475	0.74963784	-0.2645588	-0.22914244	0.39590055	0.582212	-0.091796264	-0.99993557	0.47406083	-0.04299009	0.2587839	0.5378925	-0.13696212	0.64125973	0.2081175	0.020802066	-0.5583429	-0.34107688	-0.5163617	-0.18182233	-0.79025185	-0.16924757	0.57455033	0.11885164	-0.21439983	0.020757802	-0.47541848	0.061478376	0.6715707	0.20239441	-0.653359	-0.23737383	-0.71594983	0.47971675	-0.4700611	-0.118566476	0.24054772	0.056229733	-0.8451207	-0.6027053	-0.20866553	0.5150444	-0.81360674	-0.5478587	0.030933933	0.72983	0.9995583	0.48398623	0.6079687	-0.35960504	0.46980864	0.61275136	0.27966738	-0.50211936	0.54810673	0.54904026	0.5064982	-0.15103716	-0.16730526	-0.03096409	0.7075618	0.24975929	-0.822281	0.2846649	0.9918191	-0.057666	-0.47394302	0.15582305	-0.17828827	0.19495092	-0.58360887	-0.13114728	-0.43013194	0.18835962	-0.00454776	0.7461159	-0.49237865	-0.25075287	0.5176416	0.17392288	0.38962337	-0.37254524	0.8404397	-0.30951142	-0.7054148	0.04922669	-0.5338472	0.18802099	0.070172645	0.92991483	-0.34249815	-0.72545594	0.25336072	0.5850752	0.120286524	-0.7212155	0.11576799	-0.13276826	0.35136572	0.25655356	-0.49695864	0.49349904	0.2937055	0.6980581	0.70968425	0.9999995	-0.018850032	-0.95098376	-0.47746912	0.9995737	0.063661315	-0.2578063	-0.9998773	0.16444886	-0.87540543	0.114926375	-0.7957101	0.15907456	-0.26004705	-0.18690968	-0.30478916	0.4733464	0.014114173	0.29487255	-0.5777883	-0.074568056	0.1797129	-0.999965	0.995475	-0.16531284	-0.20993337	0.5366459	-0.8059479	-0.14436948	-0.35160315	-0.4413529	-0.4888127	-0.10599087	0.22767343	-0.5067789	0.17590193	-0.25185743	-0.68528926	0.0272692	-0.4442556	0.43093833	0.84273106	-0.99940705	0.031941064	0.100122154	0.42409933	0.4048356	-0.17016868	-0.11012183	0.17791621	0.81074214	-0.85180587	0.3281523	-0.094201714	-0.16161762	0.96613216	-0.53112894	0.6441962	-0.61213714	-0.049488056	-0.42714068	0.75630003	0.08105318	-0.30126178	0.2890549	0.14227507	-0.8805054	0.22641705	0.79328406	-0.2837053	0.52595246	0.020379135	0.024691954	0.73237294	-0.5599497	0.33629298	-0.70853823	0.99780846	0.34369946	-0.38132188	0.068460174	0.082343616	0.4079557	0.9999733	0.33052403	0.1621948	-0.14426516	0.037339672	-0.49779996	0.7986211	-0.99885887	-0.4972714	0.63548535	0.52650136	0.40139768	-0.11851408
225	0	CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O	-0.8018903	-0.48917076	0.67278713	-0.33704057	-0.3092433	-0.76243526	0.6894748	-0.36151347	-0.032099724	0.6241407	-0.3553603	-0.47957855	-0.09018426	0.60042495	0.49981284	0.45410916	0.23489195	-0.2539368	-0.12329674	-0.48383746	0.78784996	0.36235037	-0.43850085	0.2979203	0.14728825	-0.34655344	0.6507916	0.22706226	-0.54677784	-0.540262	-0.29231796	-0.23578933	0.13032232	-0.20693125	0.012289522	0.5779554	0.16256118	0.5319793	0.9960332	0.3333843	-0.9568129	-0.591216	0.15732105	-0.3685096	0.66314083	-0.92785996	0.006390686	0.7968227	0.071493216	-0.72921383	-0.37544933	0.34540516	0.0482293	0.05027871	-0.5923709	-0.54685754	-0.8024715	-0.10970095	0.4728783	-0.19990048	0.21285073	0.7658267	-0.62066084	0.20537092	0.75079095	0.8838143	-0.060508784	-0.42952365	0.6184765	0.5502855	-0.7417043	-0.99969286	0.37953684	-0.16450383	-0.4886116	0.22837763	-0.45397645	-0.5934596	0.13007711	-0.9998163	-0.45984012	-0.30939662	-0.94514805	0.2631647	-0.18605228	0.6408898	0.6627214	-0.40931478	-0.35208306	0.40784678	0.17445761	-0.8644651	0.3198746	-0.1884684	0.9996549	0.15901704	-0.8235248	-0.46717444	0.51603717	-0.3838437	0.26868102	-0.122520395	-0.030666873	-0.27060008	-0.9380284	-0.226535	-0.4405021	-0.4559075	-0.99938214	0.2837492	-0.18733062	0.594109	-0.73278415	-0.36972007	0.42595837	-0.69104975	-0.5926231	0.003957262	0.9987695	-0.79985887	-0.4430049	0.006364926	-0.6432982	0.58252156	-0.6018426	-0.35079947	0.15861252	-0.43367556	0.05245314	0.9623115	0.3929094	-0.12384193	-0.10450576	0.5928934	-0.50428647	-0.69279647	0.1088748	0.054152124	-0.91246694	-0.4805295	-0.997863	0.6934517	0.21122997	0.65934604	0.24149635	0.18742119	-0.25661016	-0.27792874	-0.060677946	-0.0727798	-0.4077598	-0.35720792	-0.3170103	0.27783778	0.3393654	0.70688355	-0.5940431	0.86329603	-0.8046424	0.44408968	-0.94981885	0.816842	0.31257603	0.18848562	-0.49395195	-0.548002	-0.1294281	0.056644328	-0.2661464	0.2248185	-0.52202576	0.3941855	0.028313883	-0.8651305	0.6026343	-0.92113644	-0.61510366	-0.4903554	0.66252774	0.44696125	-0.2518498	-0.99898505	-0.20027187	-0.6824437	0.08934897	0.45885235	0.67578566	-0.5278449	0.18293582	-0.84805024	0.1424167	-0.0872919	-0.3718817	0.5329485	0.31487948	0.35505855	-0.10057534	-0.02267045	-0.175596	-0.464031	-0.4128221	0.05122224	0.07114945	-0.53241634	-0.32267663	0.7788564	0.21928024	0.19407247	-0.25922805	-0.99968916	0.56345266	0.017144093	-0.48110783	0.13942166	-0.053306784	0.29889536	0.67577	0.4498509	-0.18917084	-0.24076112	0.7945101	-0.62623864	-0.92954135	-0.618621	0.9999467	0.46711528	-0.07002353	-0.09803251	-0.39185795	0.6254788	0.06253833	-0.52489525	0.56734073	-0.5818355	-0.34558338	-0.8559382	0.612715	-0.21707764	-0.27092457	-0.26461416	0.6743218	-0.1290468	0.787158	-0.82254523	-0.16959716	-0.3161188	-0.42536768	0.37033457	-0.16034701	-0.047259483	0.8864916	-0.99883306	0.2273121	0.14581694	0.44193685	-0.3622081	0.085540496	-0.07881467	-0.34211442	-0.6647598	-0.3221591	0.45820817	-0.4512093	-0.6702913	0.646036	0.27706993	0.5794396	0.1220632	-0.77622867	0.6874728	0.42258486	0.9747694	0.6874967	0.059106525	-0.5482305	-0.17885788	0.09473302	-0.33664086	-0.16614881	-0.054024838	0.31900844	0.9991112	-0.41275063	-0.70613885	0.32817248	-0.16388957	-0.50305843	-0.81879115	-0.9904685	0.3417705	0.23935336	0.98907256	-0.5115493	0.9214007	-0.23429531	-0.8754657	0.9989724	-0.6167619	0.36316067	-0.5537133	-0.45227063	0.059733726	-0.7921535	-0.60163826	0.34594226	0.022262031	-0.07507763	-0.0837036	-0.11465101	0.00693764	-0.2816566	-0.5698632	-0.13590415	-0.5865587	-0.9547237	-0.07204391	0.1711566	-0.40942436	0.9706652	-0.35666013	0.045236263	0.34782466	-0.29760635	0.039652377	-0.093300775	-0.6768471	0.2414808	-0.6201758	-0.65507346	-0.41805717	0.50605565	0.23206604	0.88669425	-0.8164451	-0.36065063	-0.954797	-0.29341877	-0.36781523	-0.6265531	-0.14666376	-0.2311255	0.04392043	0.13270698	-0.0571167	0.06839636	0.26290482	0.15385865	-0.014501976	0.08597863	-0.3159203	-0.9738283	0.6102658	-0.25110632	-0.21213879	0.2320861	-0.06511312	0.7716329	0.99991876	-0.07620425	0.11990402	-0.15162224	0.45225868	-0.72970253	-0.29311353	-0.12609553	0.4444813	0.38500237	0.10059617	-0.6192311	-0.5376916	-0.49260375	-0.39351094	0.3158292	-0.07261358	-0.6494674	1	-0.5952371	0.103371985	0.80554664	0.6615869	-0.71407247	0.070994236	-0.7386097	-0.84998274	0.15207691	0.49241924	-0.54081744	0.08402008	0.73954535	0.6726183	0.5632686	-0.036754295	0.42634177	0.69500786	0.47132516	-0.8853167	0.37019137	0.6157466	0.8187833	0.42617965	0.93729985	0.24555388	0.05224562	0.004861947	0.003875178	-0.053774744	-0.2578974	-0.6994833	-0.26443857	-0.8441062	0.07082702	0.09415957	0.19787359	0.23462924	-0.74956405	0.12264613	0.94951576	0.37140766	-0.9635619	0.3113016	0.99994224	-0.6179987	0.047655277	-0.97599614	0.19088988	0.020648556	0.52268535	-0.093592994	-0.64135754	-0.19195302	0.074744076	0.5097437	0.2507001	0.70026636	-0.09346106	-0.4129222	-0.35668793	0.1437716	-0.9999845	-0.99890435	-0.9187898	0.46244845	-0.7330828	-0.6705782	-0.5935858	-0.13357979	-0.93281704	-0.5313438	-0.57886094	-0.6263946	-0.87006915	0.6328033	-0.29918012	0.14736517	0.4010439	0.5381608	-0.32326245	-0.37775546	-0.9999602	-0.21588652	0.32185334	0.07736271	-0.93000805	0.46575177	0.75916904	0.8295014	0.24237984	-0.01668232	-0.5601609	0.46956405	-0.30995145	0.9397633	0.1518275	0.24380466	0.2013117	-0.49053597	0.7284047	0.0410743	0.5011281	-0.3508044	-0.5054216	0.8459446	0.4508812	0.2808989	0.4371647	-0.5366473	-0.004162753	-0.0743549	0.11284286	0.75354046	0.46582898	-0.50559455	0.4475777	0.9289446	0.13519487	-0.3001988	0.74962854	0.00752613	-0.5590054	0.99995375	-0.04761533	0.43596062	-0.13642456	-0.4937394	-0.026005726	-0.73743093	-0.98380816	-0.17384121	-0.6468296	-0.46473166	0.47386724	-0.6207177
226	0	Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O	0.2735059	0.24668089	0.39549297	0.48114908	0.6683895	0.023599846	-0.08911773	-0.40308493	-0.3461516	0.45019466	0.545824	-0.18256626	-0.5220761	0.29795787	0.186355	0.8667004	-0.7112794	-0.6798651	-0.3056938	-0.5752055	0.24149509	0.5171955	0.7674086	0.07335234	-0.4177815	0.21354663	0.2547878	-0.5192969	0.81751066	0.6149838	-0.41718498	-0.3718245	-0.56567323	-0.72019553	0.7105711	-0.87368184	-0.16769934	-0.74373406	0.99983895	0.88766396	0.9965185	-0.15595247	-0.24786393	-0.6997133	-0.7419412	0.9898982	0.1669005	-0.49413738	-0.90405935	0.43810156	-0.50859445	0.7623298	0.3493335	0.66553885	0.85208017	0.20824541	-0.051134247	-0.9958682	0.107792825	-0.5828515	0.032696392	-0.45323506	-0.5271168	-0.52106285	0.45878336	-0.29771814	-0.52373654	-0.92459804	0.099910736	0.7334046	-0.9825338	-0.99578315	0.22794485	-0.39984095	-0.48871785	0.5108183	-0.37720025	0.14976013	0.30487403	-0.94646746	-0.99811184	-0.0605859	-0.9638654	0.4746391	-0.20742397	0.5965446	-0.05304002	0.15280539	0.5283934	0.12028335	-0.7878724	0.5751592	-0.39410418	0.14410079	0.9999088	-0.4120325	-0.9895288	0.008568822	-0.20110649	-0.7868383	-0.43300298	0.41725108	0.35540786	-0.105465226	-0.9999662	-0.06601107	-0.33205926	0.40666673	-1	0.015161607	-0.82834536	-0.48467067	-0.8620566	-0.24194545	0.8274871	0.6277496	0.47303966	0.19792958	-0.48866376	-0.4015587	0.33311236	-0.4147641	-0.75300086	-0.30134282	-0.34208596	0.3006497	-0.5408792	0.48656943	0.004891561	0.38108823	0.58828133	-0.6451305	-0.7822261	0.7558745	-0.593217	0.99780464	0.7422743	0.9305902	-0.5189816	-0.022122715	-0.99999934	0.5959275	-0.99128956	0.55763507	0.097664334	-0.10505133	0.046233725	0.4707811	-0.9999883	-0.071778424	-0.37598324	-0.7074449	0.54411936	-0.037971526	-0.29005414	0.20336112	0.54030615	-0.99979174	-0.9282154	0.76117086	0.8888067	0.19133577	0.5684414	-0.3944707	0.27565423	0.0446837	0.20081657	0.050818216	0.45780346	0.566926	-0.7687584	-0.6767672	-0.10623063	0.074045576	0.4606897	0.31382394	0.28018817	0.24195729	0.20694265	-0.25625503	0.05673048	-0.9999541	-0.63162434	-0.6780979	0.99967515	0.74780494	-0.76081866	0.7933593	-0.48424557	-0.09411323	0.9908492	0.33898285	0.23889512	-0.41544056	-0.60832405	-0.63097584	-0.05008097	0.9908497	-0.97111815	-0.25250354	-0.66224223	0.9421718	-0.18750544	-0.8543165	0.3340574	-0.7112576	0.7722926	0.95190626	0.75075233	-0.99980044	-0.6368026	0.079008885	0.62251306	0.29354236	0.52641803	-0.51471287	0.6271538	0.78125894	-0.77783966	-0.30930534	0.3204953	-0.54447895	0.708974	0.8048405	1	-0.053814534	0.44119775	0.23277803	0.29749867	0.2630771	-0.09190714	-0.45861256	0.20841217	-0.358974	-0.4767837	0.3076138	0.057562906	0.36759824	0.6156214	-0.22242618	0.49368173	0.49804503	-0.178776	-0.6022519	-0.6963443	-0.35914767	-0.035529386	0.7101657	0.63719046	-0.76658475	-0.7712003	-0.3863314	-0.32928124	0.44059333	-0.38311425	-0.8493402	0.035038497	-0.51654947	-0.001452974	0.6385823	-0.5657756	0.05182627	0.5881755	0.45451802	-0.13485774	0.2785241	-0.4052719	-0.4049396	-0.9977015	0.41727558	0.039074384	0.9997173	0.60677737	-0.5341154	0.4885609	0.6801131	0.33960825	0.9311959	0.5863271	-0.15134168	0.58544034	-0.82700694	-0.14300904	-0.7592171	-0.58478093	-0.8055097	-0.85412204	-0.9990915	-0.99997205	0.022369431	-0.13258308	-0.9913054	-0.16678378	0.7807219	-0.3863916	0.4160527	0.99999976	0.9449306	-0.29425415	-0.55244863	0.84280306	0.13254882	-0.42290223	0.44522926	-0.21313871	-0.95456463	-0.99978036	0.22470742	0.21939401	-0.095834225	0.27459958	-0.54387957	0.63125205	-0.52383316	-0.99108905	-0.2791249	-0.06243332	-0.540921	1	0.22835925	-0.26505893	0.8276059	-0.17011546	0.34748185	-0.7129003	0.19738495	-0.8668088	0.9828925	-0.2445858	-0.76682115	0.36739165	-0.81993616	-0.2276233	0.26211557	-0.5266714	-0.99496824	0.24297653	-0.13362955	0.07999765	-0.22717741	-0.5685485	0.075487554	-0.38057315	-0.83942515	0.3872465	-0.41773507	-0.39652124	-0.32099846	0.7671873	-0.99754393	0.99436253	0.064023696	0.18992011	-0.5734084	-0.15246803	0.24258073	0.13493396	0.99851984	0.13153943	0.98362297	-0.38469478	0.7283821	0.72638136	-0.70780915	0.11473071	-0.28371295	-0.34092662	0.98187095	0.29348096	0.030066585	0.6314893	0.57183623	0.9262068	-0.9696171	0.08328077	-0.99999523	0.8599107	-0.5557879	0.26276392	-0.84850067	0.18129662	-0.4413329	-0.91544497	0.1296865	0.5551264	-0.6940138	0.33917075	-0.24380001	-0.51129365	0.5880436	0.72248715	0.42146796	-0.3529652	0.5309008	-0.5679657	-0.3016671	-0.55703026	0.9039006	0.4944481	0.9589912	0.9999417	-0.60576314	-0.80539095	-0.23968038	0.80379015	0.73586154	0.78530276	-0.5443123	0.065936625	-0.19156826	-0.8877357	0.15110877	-0.53263134	-0.13547145	0.8071971	-0.21339932	-1	-0.25165826	-0.9866946	-0.11004022	0.98608476	-0.63856006	-0.27368718	0.981524	-0.8082905	0.5046932	0.35995916	-0.37451038	-0.15350711	-0.63001925	-0.040563915	-0.1625269	-0.11499062	-0.038342495	-0.40711677	-0.23335949	0.08291467	-0.069392286	-0.9670845	1	0.95027876	-0.59273255	0.5034462	0.9801704	0.3768048	-0.64833856	-0.6170083	-0.39320228	-0.43242845	0.6258388	-0.39046693	-0.03433568	0.011607442	-0.29180747	0.49876654	-0.7482256	-0.4082693	0.9961162	-0.80605847	-0.7737028	-0.6393205	-0.62157476	0.21245046	-0.2586926	0.99976295	0.8959707	-0.8231124	-0.47008127	0.19993095	-0.15675487	-0.82527375	0.9455203	0.4622987	-0.9480929	0.0898268	-0.03445155	-0.78816265	-0.86938274	0.71785367	0.86801356	-0.17332925	0.9849249	-0.999865	0.4249052	-0.9052947	-0.2071793	-0.024765093	0.5052283	-0.000776266	0.7180144	-0.48882848	0.518429	-0.46055505	0.9996802	0.56821835	-0.5212514	0.3690206	0.715056	0.24916652	0.9993693	-0.6090205	-0.5071959	-0.65296423	0.14887193	0.064730085	-0.5667624	-0.99973226	-0.79622006	0.07279527	-0.48853335	0.06798001	-0.6715585
227	1	Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1	-0.69652134	-0.18486363	-0.029399525	0.29484254	-0.029060652	-0.16312857	-0.3076215	0.29271856	-0.20377976	-0.50414336	-0.25300318	-0.18562496	-0.102079764	0.33360595	0.59767014	-0.49871248	-0.3171476	-0.42472303	-0.7358045	-0.73409116	0.46821898	0.64668834	-0.33952475	0.27050883	0.5028104	-0.23948552	0.31278327	-0.2074012	-0.13692012	-0.13908087	-0.6468456	0.059982605	-0.16235878	0.07164776	0.13323551	0.4349409	-0.46172622	0.84521484	0.99938464	-0.23661235	-0.9430846	-0.4037312	-0.38657627	0.017628897	0.7236271	0.091051966	0.16950157	0.3344535	0.7623772	-0.22333851	0.25497815	0.4338058	-0.5717092	-0.09935408	-0.43333453	0.17079055	-0.7305609	-0.82459086	-0.058335643	-0.47668496	-0.28669935	0.5555386	-0.039676312	-0.6776073	-0.1650221	0.55777395	-0.10656853	0.5084019	0.030397	0.42428944	-0.38278297	-0.92590284	0.49032068	-0.89056736	0.57449704	0.08002417	0.6631589	-0.24213591	-0.7086914	-0.99860805	-0.27272674	0.38169104	-0.940342	-0.32233122	-0.07050589	-0.86440116	-0.014263005	0.56442916	-0.286331	0.351767	-0.5579845	-0.3845207	0.009955099	0.047173332	0.99277097	-0.5709684	0.45493546	-0.40645534	-0.027258491	0.5982283	-0.64667827	-0.5021094	0.18535605	0.8608919	-0.9973436	-0.60096496	-0.5735071	0.04047077	-0.86240035	0.24213418	0.01805073	0.48442656	-0.18096422	-0.5752618	0.50329804	-0.17532113	-0.07932461	-0.22757839	0.97239923	-0.63695675	0.25749612	0.07821092	-0.045658574	-0.18155113	-0.123672865	0.37249166	0.036347784	-0.1332685	-0.36217248	0.99918896	-0.670672	0.31936592	0.31349814	0.012096898	-0.47266662	-0.89453775	0.39928806	0.019643389	-0.7718303	-0.43410543	-0.9999958	-0.4443716	0.46593565	0.039726917	0.3681834	0.15349188	-0.2482312	-0.40940228	-0.95940274	-0.13018376	-0.66232866	-0.36059648	-0.21213625	-0.42756766	-0.05120326	0.41550457	-0.41266558	-0.62501556	-0.58158404	-0.4560356	-0.60836715	0.05189567	-0.42187348	0.60542923	-0.03978507	0.16580038	-0.3193565	0.16198476	0.276238	0.290822	-0.48731855	-0.13381316	-0.12157615	-0.83597225	0.00424286	-0.6694763	-0.601086	-0.29620016	-0.15373327	0.2325713	-0.30456248	-0.97665817	-0.45576146	0.017779749	0.0666615	0.14625731	0.6573116	0.04948296	0.17924982	-0.49344027	0.13991047	0.5321889	0.002304934	0.1491645	0.20299418	0.4301395	-0.22838588	-0.34005958	0.55973226	-0.3073854	-0.565809	0.09866725	-0.48485243	0.12740085	-0.19342403	0.6696261	-0.49377114	-0.2108853	-0.7242976	-0.9998945	0.44713423	0.40917692	0.18951134	0.06817752	-0.5693545	0.029338745	-0.25217435	0.4777716	-0.147762	0.31732488	0.5609547	-0.58012015	0.20103867	-0.7323693	0.9889855	0.48863846	-0.17207015	0.7110044	0.15854688	-0.11708884	-0.5360618	-0.46017617	0.58034486	-0.303332	-0.44217092	-0.41878158	-0.74401957	0.5370341	0.10870969	-0.1503812	0.777554	-0.069446646	0.3005343	0.25057226	0.28113186	-0.33259675	-0.14906076	-0.49753007	0.11453065	0.48610482	0.2871103	-0.7348843	-0.43086222	0.29310292	-0.017825369	0.4276878	-0.15690535	0.6497023	0.12279209	-0.08666544	-0.15794645	-0.16063061	0.111914545	-0.44633305	0.5876963	-0.2134524	0.7649741	0.35244918	0.87603486	0.19503276	0.07473181	0.9541142	-0.3892205	-0.37644812	0.20748127	0.1056685	0.5241458	-0.48164964	-0.51097697	-0.33061463	0.36601508	0.9937473	-0.26499873	0.17886531	0.26114482	0.45958158	-0.7263818	0.43025273	-0.5062655	0.036957774	0.55267966	0.6649427	0.14869836	0.65307707	-0.017082637	0.245866	0.99999833	-0.98161584	-0.32971007	-0.28123763	-0.28358507	-0.5825789	-0.84476507	0.6372173	0.7590472	0.26047245	-0.9862121	-0.14542276	0.5998525	-0.27866545	0.5044894	0.6038894	0.03046653	-0.629057	-0.487196	0.48911962	0.0960006	0.39332855	-0.95983565	0.3478757	0.587767	-0.5631457	0.36258787	-0.30515137	-0.2870968	-0.4044208	0.53587687	-0.87613106	-0.1354046	0.15480623	0.64849216	0.36952606	0.07902971	-0.17698957	-0.10397744	0.4296367	-0.50458914	0.5606848	-0.112898245	-0.2308219	-0.4163083	0.21820982	0.5733127	-0.10515578	0.1661785	0.2685999	-0.2510025	-0.3935343	-0.12208994	-0.9129696	-0.8485435	0.35054266	-0.36337605	-0.5723376	-0.6347115	0.47115284	0.8675982	0.99985045	0.30209073	-0.34987363	-0.17228962	-0.3295635	0.32272014	-0.26670328	-0.639597	0.36434418	0.3276798	-0.3452779	0.11313974	-0.31739518	0.61212844	-0.28887197	0.5666726	-0.28718138	0.009208397	-0.9927795	-0.7385539	0.19889441	0.19234744	0.544559	-0.323168	-0.5340079	-0.4851552	-0.9168853	-0.38839683	0.059598032	0.1596292	0.33214906	0.385207	0.50395447	0.14331093	-0.26280835	0.4140704	0.59035575	0.45861197	-0.036926508	-0.2617723	-0.090759605	0.7145599	0.21015143	0.85354155	0.634549	0.2192908	-0.6248156	-0.15583824	-0.3137747	-0.31933007	-0.053409975	0.51205933	-0.24819028	0.5341354	-0.020432627	-0.47341436	0.6611758	-0.20593216	0.18973187	0.9999391	0.008747189	-0.9682014	0.7768902	0.9995981	-0.6580002	0.3378771	-0.9978304	-0.123264	-0.6293108	0.6565355	0.3875126	-0.38070342	0.024496866	0.015018716	-0.10818454	-0.33890712	-0.56719124	-0.40250215	-0.49522167	-0.5075202	0.19724007	-0.9999866	0.9999999	0.07719357	0.5842861	-0.4299501	-0.75438786	0.04161739	-0.25302243	-0.81546885	-0.6380366	-0.5061881	-0.3346351	-0.74425167	0.057168573	-0.16000056	-0.32802153	-0.60300964	0.25852588	0.20926835	0.8603774	-0.99982816	-0.3274521	-0.3884265	-0.09815533	-0.35199675	-0.2276177	-0.6299354	0.7511968	-0.095103	-0.17979714	-0.5680922	-0.44998968	-0.7276432	0.9904425	-0.5392473	0.8998418	0.006951527	0.41001174	0.37630323	-0.57139385	0.005621029	-0.006859755	-0.00289761	0.17958407	0.14838202	0.17255218	0.5281297	-0.0407846	-0.5413928	-0.0637538	-0.21383436	0.7173899	-0.19855924	0.08863316	0.709399	0.9964762	0.22805358	-0.032530073	0.51090074	-0.28727645	0.23428129	0.9980054	0.62627083	0.22947116	0.43587592	0.060501143	0.33104908	-0.03164356	-0.9942851	-0.5536813	0.8239935	-0.04908038	0.28647387	-0.019270346
228	0	Nc1cc(Cl)cc(C(=O)O)c1Cl	-0.86062765	-0.39113846	-0.48848107	-0.029658826	-0.65035903	-0.13444361	0.022856977	-0.5563674	0.7445834	-0.000152118	-0.6880131	-0.12379963	0.010778357	-0.50605434	-0.008589126	-0.13672513	-0.1745051	0.15200998	-0.2269454	-0.07042467	0.7108491	-0.7189363	0.63436466	0.33759564	0.049249295	0.3910035	0.29978013	0.12897722	0.24418268	0.085120656	0.3536317	0.5270381	-0.0893852	-0.45518377	-0.097208776	-0.6396596	-0.23008345	0.07013001	0.45388415	-0.7536895	-0.94685495	-0.09457764	-0.091943935	-0.15092397	0.26211703	-0.9951321	-0.50910056	-0.2914014	0.51434374	-0.1660101	-0.33534887	0.6113218	0.31896204	0.13988677	-0.9236086	-0.31466573	-0.7288763	0.9008311	-0.23914209	0.2915648	0.1337407	0.091000214	0.4185825	-0.06900912	0.659799	0.33406764	0.37353492	0.3677817	0.26257527	-0.20096847	-0.5558634	-0.98028815	0.36591262	-0.26821488	0.49868858	0.3057452	-0.26517597	-0.4172221	0.14421126	-0.99330986	-0.8989589	0.13315271	-0.89206505	-0.29663947	0.20148796	0.3582189	0.44972944	0.51058275	-0.32433483	-0.17689645	-0.05987034	0.30513874	-0.041553065	0.2523139	0.9531796	-0.33301547	-0.06562709	0.021115435	0.37945044	-0.15580907	0.61400986	-0.4694379	0.5646051	-0.8572999	0.8728698	-0.3828177	-0.027500892	-0.2611097	-0.9995309	-0.073446184	-0.72245765	-0.4324112	-0.62961227	-0.4090857	0.25974962	-0.13919054	0.2598578	0.34241396	0.999656	-0.64463186	-0.22939831	-0.02341794	-0.4730765	0.2969554	-0.15539908	-0.35899204	-0.30584654	0.7065674	-0.65870297	0.9979293	-0.47853026	-0.35787588	0.48670095	-0.07354868	0.22261459	-0.01160054	0.82752556	0.27565557	-0.7842609	0.14259218	-0.9992944	0.4826964	0.9647488	0.5934046	0.14529881	0.42146665	0.12288141	-0.32874736	0.9941352	-0.49355254	-0.50061506	-0.51432323	-0.49545646	0.2878264	-0.38285533	-0.09714912	-0.44579595	0.99873	-0.7139726	-0.4400782	-0.99083704	-0.15789786	-0.38930434	-0.19662979	0.01912389	0.23936741	0.28994188	-0.40682036	0.17358077	0.4582474	-0.88717175	-0.06986002	0.14486219	-0.64354664	0.57326245	-0.95007557	-0.87920904	-0.08787037	-0.14114667	0.15597515	0.19046888	-0.95680016	-0.23080021	-0.33348757	-0.57058233	-0.4288351	0.102295294	0.07815845	0.17449355	-0.2408417	0.9583681	0.18743828	0.3626176	-0.0700666	-0.16745625	0.16761594	0.60424125	0.7083114	-0.2592427	0.27560815	-0.14881814	0.19505663	-0.6774106	-0.24931957	0.069420114	-0.008495715	0.33160976	0.52923614	0.660507	-0.9571497	0.47176182	-0.32339942	0.29356223	-0.41709134	-0.05103326	-0.07196227	0.18190365	-0.33485687	-0.09485039	0.052350987	0.11805744	-0.38204268	-0.49289778	-0.052239053	0.99999887	0.23883326	-0.110573545	0.33812797	0.49105692	-0.4555675	-0.10315423	0.16256005	0.45040068	-0.19174948	0.059779614	-0.48359415	-0.104074046	0.12039226	-0.30201977	-0.13534512	0.88823587	0.52677447	0.39828125	-0.4259137	0.4859795	-0.2980419	-0.013947251	0.29249033	-0.3569124	-0.5033717	-0.25613603	-0.9989102	-0.28013366	0.31789437	-0.41847986	-0.29365852	0.36010617	0.12843609	-0.20920067	-0.115695566	-0.6083055	0.40805793	0.27094278	-0.3720472	0.4977001	0.22452086	-0.1423693	-0.16152747	-0.886088	0.46634537	0.26636645	-0.06280103	0.1716953	0.27009466	0.4278008	0.94122416	-0.12270954	0.36139083	0.19557147	0.37301287	0.50979114	0.99949175	-0.050859164	0.5536329	-0.14358081	-0.060328387	-0.335262	-0.8780643	-0.63534486	-0.24635713	0.03461078	0.99950284	-0.25749192	0.9063355	-0.5102709	0.27245945	0.9990521	-0.84066606	-0.050772797	0.31693253	0.2747616	0.35567412	-0.61061645	0.34104726	-0.011577428	-0.63461906	0.99446934	0.49916148	-0.6247058	-0.2208863	0.41114554	-0.049477395	0.14285456	-0.5815856	-0.14458907	-0.24615027	-0.27871102	-0.42768404	0.9453977	-0.18378592	0.041301787	0.53548545	0.14837345	-0.54071957	-0.34361756	0.09409843	0.5493091	-0.96622026	0.04101358	0.18946987	0.098437466	-0.46643183	-0.25586873	-0.13184816	0.17768824	-0.27322933	0.20665403	0.30778858	-0.09737019	0.44677207	0.3497346	-0.58670783	-0.54119545	-0.10101942	-0.19801982	0.42001572	0.4154086	-0.36805224	0.4197056	0.86435205	-0.9947636	0.045061998	-0.3567764	-0.44016427	0.44335198	0.37359065	-0.14496551	0.99854976	-0.16024116	0.39198586	0.09168264	-0.14320935	0.46748403	0.40928492	-0.6570368	-0.5743675	0.5277896	0.13650371	-0.18090263	0.33462632	-0.32043183	0.41760874	0.7322526	0.89430875	0.2509428	1	0.11601693	-0.026930608	-0.004505775	-0.27047408	-0.88029873	-0.1040495	-0.46783873	-0.23555796	-0.5564644	-0.10927207	-0.48494658	0.048508808	-0.5588947	0.8845183	0.13906132	0.11397573	-0.2612097	0.47939524	0.120869264	-0.51791364	0.23706609	0.62606627	0.9155406	0.6685968	-0.6168663	-0.16715924	-0.40064684	0.12744786	0.025412882	0.059530202	-0.44294015	-0.09879017	-0.56228024	-0.20957749	0.51949996	0.4568203	0.07493433	0.30819613	0.5623845	0.2687862	0.9319881	-0.016573573	-0.99694407	0.46556646	0.9995738	-0.46540385	-0.19105482	-0.94719607	-0.4895324	0.80099744	0.7264998	-0.1944923	-0.41394782	-0.11994524	0.0846815	0.026379716	0.18897144	-0.29864904	-0.20706007	-0.24842651	0.65472436	0.09280775	-0.99998355	-0.9994625	-0.9977652	-0.45544794	-0.4136084	-0.3726598	0.3670134	-0.8366083	-0.8965258	0.44797695	-0.55383754	-0.39485803	-0.8660944	0.23882098	0.08243957	-0.11657483	0.42971942	-0.19857311	-0.34168002	-0.9823313	-0.9999364	-0.24698666	0.32528102	-0.062580675	0.2376097	0.15432811	-0.8085748	0.200905	-0.37825936	-0.33864266	0.4259476	0.4747408	-0.38181704	0.93535	0.55904794	0.73013157	-0.5071909	-0.36000687	0.013149411	-0.7830706	0.09400846	0.5555459	-0.23108372	0.59037435	0.292568	0.5056051	-0.16423225	-0.53935844	-0.19761227	0.5196435	-0.030476185	0.72756827	-0.08211767	0.41423622	0.2440482	-0.71461755	-0.020547256	-0.30201927	-0.15529253	-0.19699794	-0.054612916	0.99974394	0.69616574	-0.33249202	0.13323897	0.10278085	0.14004378	0.32701543	0.14916986	-0.22029324	-0.024729671	0.593542	0.39452338	-0.116201974
229	0	O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl	-0.5479239	-0.5048817	-0.77747715	0.558625	-0.15643165	-0.50803125	-0.111468814	-0.075074665	0.48830217	-0.6987032	0.06981897	-0.5678107	-0.007268443	0.6821702	-0.046155833	-0.9156855	0.13391061	-0.039616793	0.31806076	0.41879815	0.61929804	-0.6064898	0.38975558	-0.4286005	0.03876169	0.41105238	-0.16423278	-0.17752051	0.87630904	-0.13769485	0.082808636	0.7054517	-0.21242096	-0.32401225	0.61226755	-0.42146808	-0.5161984	0.29372525	0.99904966	-0.4237279	-0.10583347	0.08972514	0.16929774	-0.6386354	0.25399205	-0.6185204	0.39467102	0.2621866	0.98351747	-0.03431382	-0.36572427	0.86555904	-0.09865697	-0.16232945	-0.88711107	0.48613286	-0.66007465	-0.75971514	-0.27898628	0.056567274	0.3598192	0.15278205	0.015887717	0.053338807	0.08279865	0.6484899	-0.010858768	-0.47937402	0.5284267	-0.21413851	-0.27013785	-0.66630846	0.3158706	0.880114	0.5383632	-0.5046999	0.5788606	-0.58923596	-0.75372565	-0.99890995	-0.87680686	-0.51184404	-0.07316253	-0.08058565	0.6686918	-0.24362579	0.82531244	0.31703487	-0.6054525	0.44952607	0.067936584	0.7491644	0.5399474	0.63643754	0.9949967	-0.08796757	-0.15676193	0.16950935	0.4783518	-0.48538706	0.34629163	-0.6682074	0.71126777	-0.7113421	-0.994122	0.62534887	-0.38538557	0.4897482	-0.9944609	-0.34817028	-0.18864924	-0.3955341	-0.2855732	-0.70573884	0.186388	0.040472917	-0.33138263	0.811785	0.99765855	-0.67279476	-0.09705448	0.41934693	-0.82434124	0.12767425	0.10982075	0.2600914	0.7021531	0.61913604	0.10945708	0.99964285	-0.08989767	0.08621774	0.66009796	0.52943045	0.48050553	-0.3851989	0.83108294	-0.11563621	-0.27892518	0.016854078	-0.9987938	-0.25779238	0.79457754	0.4745454	0.5127078	-0.22074641	0.2136197	0.39446217	-0.8669985	-0.5310768	-0.41227698	-0.5111861	0.81383705	-0.23503028	-0.7722061	0.49144322	-0.4378727	0.34839013	-0.97116625	-0.6233583	-0.74437726	0.52254176	0.16920935	-0.048753593	0.12954795	0.3235504	0.40145978	-0.381701	-0.6633152	0.038076382	-0.9186766	-0.18171534	-0.5928357	0.6420326	0.5140677	-0.91882557	-0.6431052	0.14791352	0.68347514	0.12884891	-0.11142597	-0.957197	-0.098468155	-0.45365146	0.8349111	-0.1555115	0.56876856	0.7181175	-0.31430393	-0.7280594	0.5237281	0.43363312	0.32615998	-0.74753827	-0.6634304	0.30493426	0.3184846	0.67850053	-0.44807288	0.4370265	-0.56249833	0.6077844	-0.74916273	-0.62077117	-0.062334657	-0.07435355	0.100627206	0.58922815	0.37784177	-0.9998906	-0.25185814	0.7871042	0.23089968	-0.24251005	-0.5818451	-0.29632843	0.08172596	-0.7191538	0.63880944	-0.741853	0.45144796	-0.48712626	-0.5461636	0.25726146	0.99966556	-0.06822865	0.72918767	0.22098094	-0.21295384	-0.13898197	-0.10497445	-0.6206835	-0.06744741	0.24037313	-0.1381889	-0.104975425	0.5467291	-0.198086	-0.064267755	-0.34913582	0.7455222	0.64173275	0.708027	-0.35325798	-0.84013146	0.28319362	0.35695207	-0.6699691	-0.55857706	-0.8618399	0.22768278	-0.9785608	-0.50398105	-0.33859724	-0.21418446	-0.8897585	-0.36278558	0.11330338	-0.5872139	0.6545407	-0.21690583	-0.053715777	0.4641304	-0.62481123	0.11090674	-0.14279285	-0.01706419	-0.13059093	0.9066833	0.80464834	-0.15075894	0.99941736	0.424959	-0.7376158	-0.103282005	0.83902335	-0.106838875	-0.79684144	0.026360646	-0.93199754	0.60671186	0.9957651	0.013234431	0.077141665	0.5704909	-0.6037688	-0.7580233	-0.39284328	-0.8011634	-0.32131156	-0.4881471	0.9590524	-0.6506594	0.8756517	0.005682825	-0.09109261	0.9998977	-0.95181406	-0.2964515	0.5725508	0.6240478	-0.33728594	0.31554043	0.38188946	-0.7334892	-0.6549401	-0.7153464	0.12551071	-0.76760554	-0.04150709	0.697335	-0.48541147	0.21263058	0.47229484	-0.5468813	-0.8793989	-0.5269582	0.042792775	0.8721934	-0.35758188	-0.62707144	0.71228486	0.6847793	-0.021789137	-0.75650084	-0.3408793	-0.48363468	-0.93719125	-0.06160541	0.50757706	-0.26319233	-0.33348367	-0.14324549	0.1750295	0.35672736	0.49310666	-0.6222533	0.0704568	-0.5838926	0.54541934	0.195529	-0.83419037	0.33572978	-0.68546355	-0.16586286	0.042754706	-0.33791786	-0.006752007	-0.07343367	-0.73804975	-0.8616585	-0.33270997	0.4193463	-0.23344402	0.6315996	-0.10998216	-0.7440956	0.9995949	-0.021316957	0.75789136	-0.18027687	-0.35166213	0.15202509	0.19440278	-0.80232024	0.08643065	0.8463716	0.9806398	-0.5472306	-0.79056835	-0.720142	0.25117952	0.7326163	-0.12516089	0.35106543	0.9851819	0.8567932	-0.6402917	0.6280049	-0.5916879	-0.91392773	-0.15082237	-0.6021162	0.067265406	-0.44670218	0.3609239	-0.019727295	0.1334068	-0.20963739	-0.45890224	0.52540195	-0.04873573	-0.5092791	-0.045563962	0.11753405	-0.8407735	0.27661514	-0.27273065	0.928003	-0.41961673	0.57005084	-0.10319504	-0.5625844	0.7212229	-0.28136706	0.36326283	-0.44425443	0.21136588	-0.30932775	0.21368161	0.49793062	-0.17739178	-0.22767697	0.43109858	0.09903176	0.5052204	0.94395804	-0.27350396	-0.97273016	0.7410959	0.9992412	-0.77309734	-0.6433103	-0.98139894	-0.16451952	0.3967953	0.40352973	-0.5539836	-0.5029579	-0.6122924	0.4802027	-0.6633979	-0.3584177	0.56535244	0.10071558	0.48128167	0.30501336	-0.07417812	-0.99999756	0.9938968	-0.9350483	0.7164804	0.43532363	0.44946542	0.63866776	-0.60039866	-0.8486157	-0.31152928	-0.15198243	0.40609193	-0.5515222	-0.03678907	-0.28816184	0.032519557	-0.5788112	0.024826968	-0.8050868	0.20171405	-0.9999168	-0.20886269	-0.18613866	0.52788997	0.21716361	0.84084815	-0.66970104	-0.14463013	-0.2772973	0.5947959	0.5191675	-0.08025501	0.57908726	-0.47663218	-0.70604014	-0.2531171	0.36332774	-0.87490666	0.2653505	-0.42290372	-0.46961594	0.37148392	-0.7877963	-0.47458228	-0.9995418	0.35660112	-0.27733055	-0.009291566	0.3997583	0.08628986	-0.663797	-0.5570964	-0.192629	-0.22814226	0.319589	0.98234934	-0.7046133	0.085183926	-0.17853843	-0.26112053	0.19419353	0.9995965	0.7900033	-0.2813495	-0.1546581	-0.29894742	-0.25641298	0.5337349	-0.9968944	-0.77414656	0.30552474	0.9492156	0.8237122	0.42801532
230	0	Nc1cnn(-c2ccccc2)c(=O)c1Cl	-0.077488855	-0.048827495	0.48220113	0.21090108	-0.2899501	-0.23471387	-0.12601475	0.34789	-0.015162659	-0.1649238	-0.27675456	-0.5590494	-0.18016513	-0.3556635	0.22166516	0.49464905	0.37174475	-0.5258289	-0.40226984	-0.4974681	0.66167724	-0.49364424	0.7318087	-0.10064165	0.033217374	0.27125147	0.5540905	0.8130875	-0.028409995	-0.4562223	0.19823316	-0.15676834	-0.18503918	-0.24213341	-0.25356922	-0.1373204	-0.4004573	0.122892134	0.909475	-0.79301685	-0.9676576	0.09940158	-0.25375694	-0.63119674	-0.1295001	-0.98656213	-0.09175484	-0.1686131	0.61544144	-0.6479658	-0.34942144	0.22643793	0.5508744	-0.20335329	-0.65120417	-0.067633055	-0.34689558	0.711591	-0.54684424	0.11707195	-0.29434183	0.4719823	0.62166035	0.4463268	0.5613121	-0.43688798	-0.19468644	0.38266957	0.38932905	-0.50593877	-0.4918725	-0.9973781	0.26904622	-0.7163164	0.103104174	0.18002474	0.26092494	0.13081603	0.44122177	-0.9959196	-0.25956634	0.13500233	-0.8733434	0.08466466	-0.5961079	0.31210265	0.44597694	0.028236639	-0.6021201	0.68401664	-0.008857625	-0.046014793	-0.34007832	0.7072393	0.9864937	-0.557719	-0.3074763	-0.28911176	0.37953013	-0.3847011	0.5455781	-0.6870686	-0.07843859	0.26411876	0.17284128	-0.94276154	-0.2613697	0.17938168	-0.75215715	0.67246044	-0.5480935	-0.09875124	-0.09511423	0.28784046	-0.822739	0.040482264	0.15586016	-0.11066497	0.99944925	-0.83182836	0.25133368	-0.24971811	-0.027546804	-0.036408458	0.16506816	0.1612662	0.17678955	-0.21059848	-0.08843166	0.9943579	-0.39413226	-0.22380394	0.2635225	-0.36193815	0.08100634	-0.76563716	0.76141834	0.3607091	-0.6117372	-0.42662948	-0.9999638	0.32813528	0.95274234	-0.1568268	0.49948007	0.6407946	0.3464788	-0.49702588	0.9523686	-0.25539285	-0.29462874	-0.2833158	-0.8088758	-0.24683738	0.3973853	0.4203801	-0.42490998	0.9961118	-0.38885173	-0.44563472	-0.99011767	-0.18109275	-0.35112444	-0.23170975	0.26567984	0.59004277	-0.028982036	0.23866989	0.07053103	-0.32322916	-0.49412856	-0.02562455	0.18762943	0.39702338	-0.28512704	0.1987894	-0.63347816	0.6912637	-0.43494305	-0.3305486	0.48414603	-0.94534934	-0.35166803	-0.034144826	-0.690334	0.029142432	0.34129173	-0.23744036	0.24310082	-0.09721752	0.6286149	0.37846038	0.2593537	0.31253648	0.003474523	0.17074302	0.34404117	-0.348965	0.18001497	-0.0883889	-0.64002615	0.034585644	-0.2688726	-0.2769022	-0.04299937	-0.4870718	0.52765024	0.09737232	-0.07554431	-0.9967528	-0.4567089	-0.36093077	0.028309058	-0.04632277	-0.30722046	0.053681236	0.21233234	-0.24226515	-0.2293377	0.09369811	-0.0414896	0.004946088	0.7575634	-0.5088519	0.9631886	0.105383106	0.088189445	0.014405571	0.42699826	0.4298941	-0.50112045	-0.28682756	0.42079067	-0.20514712	0.020502776	-0.3006638	-0.7167426	0.5412216	-0.27488738	0.52282494	0.8949971	-0.058944046	-0.13720128	-0.31367087	0.42108095	0.58693874	-0.2962897	0.19245486	0.11601776	-0.6044825	-0.34150398	-0.96774143	0.19517866	-0.01294625	-0.033894815	0.07070281	0.5408394	0.06830396	0.13101691	0.24900588	-0.12476027	-0.30686265	-0.2666147	0.08958606	0.37275013	0.34760773	0.061811708	-0.20169261	-0.8216183	-0.29835594	0.21497692	0.810192	0.2837074	-0.22614683	-0.07056067	0.8964984	0.024011038	0.29570973	-0.30634946	-0.044770174	0.16833252	0.9997073	0.29283667	-0.03459803	-0.019552145	-0.22389095	-0.41719174	-0.08107628	-0.0688133	-0.005318166	0.5459581	0.9992843	0.5189111	0.6749308	0.036206584	0.31668612	0.9999814	-0.843261	-0.38331726	-0.22711113	-0.5628507	0.33089924	-0.6906364	-0.20964745	0.77251303	0.57859945	0.9575784	0.043386266	0.008434452	-0.45327997	-0.064573266	-0.49971592	0.6731343	-0.19223608	-0.09048693	-0.5614114	0.19302952	-0.265017	-0.9894034	0.053946838	0.3709352	0.3475643	0.10339928	-0.15512809	0.047541972	-0.033016253	0.07629002	-0.72067565	0.031141758	-0.16599387	0.26315802	-0.6058916	0.3892893	-0.35774618	0.54508066	-0.7852068	-0.5368054	0.17571314	0.035142843	0.48496073	0.2836864	-0.44542897	-0.260869	0.51702905	0.17346857	0.3846215	0.25318587	0.48808542	-0.38260385	0.7620661	-0.9923639	0.42239788	0.5347529	0.4010924	0.6282403	-0.17607442	0.4380139	0.9994865	-0.3055296	0.4339084	-0.29304016	-0.11517408	0.62420154	0.2522251	-0.5310009	0.30896127	0.33815134	-0.003573216	0.38009253	0.06610083	-0.5323399	0.01463566	0.6784008	0.42584497	0.025285603	0.9975611	-0.53634524	0.35016215	-0.5299516	0.24773699	-0.7397473	-0.583077	-0.37793025	-0.5274665	-0.29921228	0.36187434	-0.35998607	0.25631288	-0.14798553	0.8048125	-0.47206664	-0.30615953	0.26208925	0.4797385	-0.41045174	-0.08420868	0.3644919	0.14275484	0.7593156	0.6864305	-0.14218813	-0.057907954	0.44914588	0.42619866	-0.27677518	-0.24976581	-0.69826883	-0.4631188	0.27911946	-0.3537282	0.58570033	0.62145686	-0.23852566	0.048281837	0.32567775	0.18625236	0.99998045	-0.115066506	-0.99363315	0.059232965	0.9997308	-0.4526622	-0.20634188	-0.9979407	-0.48050928	0.34462222	0.5786933	0.12189125	-0.46452042	0.22490942	-0.6461632	0.5715455	0.35265195	-0.69285154	0.06394931	-0.57840616	0.58245564	-0.09749531	-0.9999915	0.9926127	-0.9903948	-0.087952	-0.7803974	-0.12640585	-0.51842165	0.013878739	-0.8739306	0.49495602	-0.29892987	0.43309587	-0.30352718	-0.21807754	0.024235172	-0.048258573	0.25438058	-0.4151125	-0.5965507	-0.94984406	-0.9999578	-0.20954649	0.31147784	-0.13058937	-0.42246798	0.36294287	-0.65002066	-0.24954481	0.022818862	0.41608518	0.052323263	0.17276451	0.14037052	0.9428549	0.7420927	0.84896255	-0.2847679	-0.03571615	0.09828958	0.31723487	0.23490556	0.03466737	0.31538585	0.43286607	0.15534699	0.19733575	0.19503249	-0.16102488	0.27108082	0.25267184	-0.20044059	0.68014216	0.23696126	0.7376033	0.23820843	-0.10004896	0.3414794	0.32866883	0.3512439	0.10613053	0.011634072	0.99965304	0.7230652	0.042109966	0.003433189	0.10485777	-0.17939325	-0.09612188	-0.7174844	-0.6406631	-0.143041	-0.010581996	0.26168123	0.3855477
231	1	CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	0.35384235	-0.059569508	0.002989354	0.2013404	0.6296381	-0.37485307	-0.5750022	-0.39775604	-0.08455621	0.027836794	-0.32136148	0.5447827	-0.44803327	-0.73968846	0.49629986	-0.04373447	0.22354034	0.3701134	-0.33056435	-0.1333945	0.24683511	-0.4715585	0.32937768	-0.7008903	-0.5131507	0.55033535	0.41211754	0.38399526	0.5007504	0.2619239	0.6287165	-0.46747532	0.017512158	0.4107178	0.17668164	-0.5313051	0.5084211	0.42457488	0.99496245	-0.76817906	-0.89357984	0.39525375	-0.078840144	0.14310195	0.45929492	-0.82474333	0.36452943	0.24611053	0.9663044	0.24982852	0.42778835	0.07849443	-0.028042678	0.22985218	-0.88855344	0.01086368	-0.51206225	-0.04675981	0.37155417	-0.20345734	0.14239511	0.20917322	0.5444888	-0.3825692	-0.14792065	0.7469024	0.41463038	0.520206	-0.13783993	0.19332092	-0.50058126	-0.87363946	0.48344415	0.1637573	0.7700779	0.3457328	0.09041811	-0.2024942	-0.7279946	-0.9971749	-0.32276717	-0.042478822	-0.8953484	-0.35798424	0.32652435	-0.7695441	0.41338572	0.102079324	-0.7827638	-0.16866171	0.027411543	-0.14897099	0.07446274	-0.13823238	0.9891275	-0.04617273	0.7205806	0.3139066	0.053533062	-0.15495463	0.279575	-0.25895637	0.05536553	0.77625906	-0.9680891	-0.3171721	0.47969136	0.16433112	-0.84259516	-0.1982298	0.6059619	0.17982756	-0.7137515	0.02840424	0.23497322	0.6902859	0.3217712	0.15594763	0.9965264	-0.2642731	-0.2922412	-0.27068526	0.2448467	0.014662902	0.11781612	-0.32498205	0.019840468	-0.5907134	-0.75631845	0.9998551	-0.074010134	0.35056734	0.07702344	0.1049809	0.4256167	-0.86952144	0.5171963	0.5216507	-0.62356097	-0.5379831	-0.99990857	-0.5830528	0.9359632	-0.04424112	0.42930123	-0.22614144	-0.12693106	-0.3812845	-0.4211995	-0.37502012	0.10589074	-0.83074594	0.07039976	-0.25773326	-0.47904113	-0.5047184	0.6393201	0.7712861	-0.81025743	-0.11549898	-0.93632483	-0.39529926	-0.07051697	-0.5852373	-0.12870917	0.14646356	-0.34824693	0.4027728	-0.4611376	-0.35545716	-0.45745265	0.3420611	-0.39734757	0.2603203	0.33686525	-0.96184844	-0.69782406	0.49692914	-0.2570018	0.33397773	0.5065272	-0.7949987	0.6990416	0.12674166	0.16130947	-0.22731712	0.54003716	0.40922692	0.25284648	-0.47624332	-0.22180206	-0.1867367	0.007613567	0.31132734	-0.031887382	0.065071546	0.18625265	-0.6542579	0.60178196	0.71614045	-0.37874517	-0.43031022	-0.52173126	-0.05754495	0.26589283	-0.26409402	0.37717524	0.23985486	-0.49564573	-0.9997731	-0.1470638	0.4497238	-0.15081322	-0.16586474	-0.20434384	0.19659543	-0.13084167	-0.18972844	0.15608469	-0.016269118	0.30509925	-0.17924677	-0.32145658	-0.03492612	0.9882267	-0.47714445	0.27697712	0.37830225	0.28984064	0.6517941	-0.37961084	-0.4383373	0.26703316	-0.53174514	0.39953536	-0.17153971	0.32876205	-0.3992344	-0.30453923	0.50136083	0.7905224	-0.1339778	0.5412535	-0.57747227	0.71851605	-0.19113305	-0.2853732	-0.21363784	-0.36322075	0.23595317	-0.07584405	-0.96937895	0.006696649	0.09845929	0.10059899	-0.18958397	-0.20648299	0.51519257	0.5345287	0.11933912	-0.31824377	-0.04439095	0.4077185	-0.4465575	-0.10063185	0.10744843	-0.059602328	0.5938814	0.45858636	-0.27947283	-0.7181995	0.8697089	-0.26279488	0.19748989	-0.44947582	-0.49877286	0.08209415	-0.31226984	0.04781862	0.12488856	0.11852141	0.9986891	-0.03361974	-0.40374544	-0.21342678	-0.3681544	-0.092895314	0.6552107	-0.48503804	-0.5597703	0.12308174	0.9782423	-0.25423974	0.84075934	0.7083845	-0.6515062	0.99997896	-0.98985124	0.34560573	0.051114276	0.024570769	0.1834186	-0.56066114	0.52566046	-0.3070906	-0.84372485	-0.56817883	0.28935617	0.6164327	0.38215417	-0.2209982	-0.18454486	-0.16287634	-0.39189404	0.013047114	-0.2813388	-0.48157576	0.020518703	-0.95633113	0.040417794	-0.7761957	-0.1820151	0.5070914	-0.74527586	-0.28891146	-0.13686533	0.5361809	-0.92847794	0.4381049	-0.02337833	-0.25340346	0.19544487	0.13259867	0.001632689	0.30776373	0.49752733	-0.1732325	0.62433803	-0.4105042	0.507525	0.16416198	-0.456017	0.25947002	0.5924306	0.06855919	-0.26312825	-0.472908	0.35248297	-0.43886065	-0.416242	-0.971124	0.1251168	0.501942	-0.5720442	0.2717661	0.19583243	0.14238767	0.99965006	-0.13224205	0.30002618	-0.052722756	0.10416534	-0.44512525	-0.13807641	-0.9289256	-0.06697723	0.41215056	-0.2863242	-0.028650524	-0.31331095	0.08951738	0.7012353	0.5503497	0.31192645	0.7077492	0.99253225	0.58764285	-0.027246311	0.4671938	0.507119	-0.4489019	0.16205387	-0.625573	-0.117625974	-0.006127545	0.2413461	0.45609885	0.5372191	0.061156727	0.47048542	0.37937257	0.045739837	-0.33840984	-0.104706936	0.010541566	-0.4967149	-0.31072226	-0.65344876	0.7432679	-0.40362412	-0.2011954	0.61358285	-0.15696254	0.3818528	0.16465737	-0.61916405	-0.5503688	-0.42582488	-0.49372223	0.30053023	-0.48148593	0.45335725	0.55034506	0.5715752	0.6200287	0.2081878	0.99992555	-0.5595148	-0.9658149	0.34198892	0.9994815	-0.3684895	-0.80236614	-0.99742836	-0.29463276	0.15103805	0.5709168	-0.1237455	-0.40785527	0.41642132	0.19838957	-0.39796385	-0.064124964	0.28047204	-0.44415432	-0.6089664	0.001876554	0.24253848	-0.99998915	0.9946444	-0.80823404	0.12084467	0.21495968	-0.6129493	0.24156304	-0.7128506	-0.817922	0.17508373	-0.40744963	0.4992734	-0.8120675	-0.32739344	0.28640783	-0.5224568	-0.0356026	0.1827027	-0.10129331	0.27554786	-0.9999191	-0.36813724	-0.4636873	-0.22236928	0.33022806	-0.11578061	-0.9521309	-0.08209382	-0.52256954	0.5475951	-0.1509149	-0.35943973	0.21885546	0.96489197	-0.37611717	0.69411594	-0.28238893	0.301092	0.11766145	-0.527339	-0.72684884	-0.20313281	0.08527815	-0.497087	-0.61984134	-0.105346106	-0.34926262	-0.33282584	0.46302012	-0.7118029	-0.12066898	0.7338862	-0.7369116	-0.3078438	0.3101673	0.97789574	0.29226285	-0.08114698	0.2555354	-0.171263	0.6711432	0.9996318	0.67144567	0.29087028	-0.1857026	0.4215772	-0.19696054	0.46853602	-0.9811044	-0.64203435	0.7440882	0.4098396	0.6910603	-0.13620651
232	0	COc1cc(Cl)c(OC)cc1Cl	-0.33841142	-0.07135634	0.036037568	-0.14469661	-0.3292531	0.19055681	-0.06876378	0.2004607	-0.36580342	-0.27905536	-0.6230796	0.02924213	0.19334126	-0.52029145	0.5368957	-0.64911944	-0.38196707	-0.021850368	-0.27610812	0.07753738	0.22509518	-0.7359265	0.7334141	0.44010594	0.013062951	-0.31154227	0.031048045	0.21279255	-0.06334634	-0.42898074	-0.457104	0.5728018	0.000961876	0.120584145	-0.36702448	-0.22007744	0.13123558	0.3372038	0.28461817	-0.9259481	-0.9970517	-0.103305034	-0.11530647	-0.1512866	0.4039797	-0.9934912	0.002187253	0.33274445	0.9622845	0.6369613	-0.06521728	0.0253332	-0.5167943	0.1909797	-0.9404394	-0.26123497	-0.7308788	0.9245259	-0.027815327	0.18010046	0.386981	0.36207882	0.46151686	0.2389642	0.052837767	0.6375542	0.12061909	0.3538056	-0.025003761	0.36991024	0.62536603	-0.97269076	0.3509913	0.055533744	0.67780054	-0.28907782	-0.1771396	-0.2758843	0.109352835	-0.9978294	0.16779277	-0.20134553	-0.8036042	-0.49187443	0.3184926	0.16350205	0.12062564	0.3930799	-0.18847075	-0.53035533	0.2589697	0.010791129	0.12385809	-0.010466646	0.66341764	-0.09435032	0.578676	-0.23243408	0.52498806	-0.44992447	0.5575545	-0.20486383	0.4507307	-0.8238654	0.91160595	-0.7275511	0.3584022	0.009258846	0.98046166	0.31085187	-0.06744155	-0.26817733	0.051527563	-0.048782133	0.019518701	0.3936886	0.5848252	0.34657395	0.9989698	-0.30585968	-0.03722865	0.26778865	-0.15052961	-0.12876122	-0.02712355	-0.035337213	0.27113095	0.04845248	-0.59654814	0.9991602	-0.33657128	-0.43585753	0.42488274	-0.33174646	0.40904593	-0.93991995	0.4283333	-0.115252145	-0.71693945	-0.036711693	-0.9865754	-0.001996976	0.9941741	0.18264303	0.12848406	0.039931275	0.07401382	-0.22959813	0.9924042	-0.53161407	0.351753	-0.57369506	-0.477013	0.1503285	-0.5662687	-0.28714773	-0.42524418	0.9986417	-0.61205655	-0.8806616	-0.9878826	-0.10934972	0.1573677	0.039305992	0.14502461	0.47573715	0.24283576	0.07726656	0.04444587	-0.050225865	-0.780091	-0.15442844	-0.21782385	-0.37751168	0.14203131	-0.95555806	-0.8561891	-0.06863353	-0.61458695	0.16489713	0.15655255	0.19195342	-0.30776402	0.21489377	-0.9022323	-0.28435156	0.65119344	-0.16039918	0.26398745	0.016822545	0.6922351	0.11075028	-0.15741067	0.008781514	-0.19171393	-0.381863	0.3006061	-0.81848085	0.19386831	0.5426262	-0.58609945	0.2661004	-0.19660106	-0.51038945	0.25048855	-0.15472883	0.46679282	-0.0946061	0.55134284	-0.93980443	-0.30403793	-0.029502263	0.24125531	-0.26404998	-0.19774681	0.21117814	-0.22339986	0.118070155	-0.16700399	0.5387018	-0.5218914	-0.429373	0.06550655	-0.29254636	-0.884949	-0.24751514	0.25907993	0.7882861	0.4865866	0.144846	-0.46783927	-0.34531152	0.56352395	-0.6291658	-0.28196105	-0.6650699	0.35320368	-0.16856109	-0.18357831	0.3107857	0.94007	0.3386682	0.09194596	-0.25044405	0.6827906	0.3358045	0.3055018	0.07556353	-0.48203772	-0.50388956	-0.10653377	-0.99844223	-0.09817116	0.05431022	-0.25151107	-0.14468938	-0.01548252	-0.028878113	0.020874195	0.11120687	-0.49098358	0.18317766	0.50839293	-0.5955038	0.6651772	-0.06620719	-0.36475492	0.47849843	0.06643635	0.5029834	0.20008664	-0.5292216	0.11378777	0.43304688	0.058715746	-0.6592268	-0.35961342	0.23300216	0.31261805	0.35387278	-0.09099312	0.99891627	0.17202215	0.30707684	-0.24546023	-0.027143607	0.1915153	0.5555023	0.9664928	0.11840178	-0.0915494	0.99938226	0.33266234	0.9268766	0.10878889	-0.021607516	0.9931898	-0.9543	0.3631715	-0.033662695	0.019302651	0.15027474	-0.077593036	0.32413426	0.26893792	-0.48452345	0.99487346	0.45353	-0.63116986	0.3526611	0.1497023	-0.18791604	0.5096511	0.1664236	0.8815463	-0.320549	-0.14178598	-0.2552076	-0.9999378	0.46415484	0.05408664	0.30612418	0.56378907	-0.5994329	0.10072819	-0.12255172	0.14783064	-0.932671	0.12327477	0.13866132	-0.149404	-0.28744158	-0.15927517	0.4388822	0.49231055	0.2630546	0.1796605	-0.04940668	-0.36946014	0.43924144	0.21379873	-0.5498035	-0.5029798	0.2703476	0.4860542	0.5076251	-0.27703637	-0.40030637	0.4387889	0.9190131	-0.99382555	-0.13866411	-0.18919684	-0.15119343	0.07795788	0.36898586	0.26411012	0.99410653	-0.114991024	-0.39658293	0.23296688	0.17810085	0.17273605	0.36650538	-0.7665977	-0.61109287	0.5147973	-0.06493216	-0.30079576	0.22036348	0.50598055	0.5248437	0.5910465	0.8769968	-0.012508454	1	-0.057058383	-0.4340472	0.110030934	-0.42624465	-0.925494	-0.27571425	-0.39314243	-0.13661057	-0.6064766	-0.41120198	-0.116574325	-0.37369627	-0.31317848	0.8218551	0.18997939	0.417505	0.11832155	0.35054606	0.28594413	-0.5929757	0.42014387	0.21082234	0.9111489	0.13160416	-0.9416692	-0.1914494	-0.43905607	0.21810588	0.19849466	-0.35342556	-0.20373856	-0.24442932	-0.442572	-0.101539515	-0.18992846	0.5588966	0.21055603	-0.12416403	0.69930303	-0.10536385	0.9999999	-0.09618483	-0.9923718	-0.14918639	0.9987225	0.07653138	-0.00680266	-0.99988514	0.012776646	0.42143193	0.5511669	0.01586304	-0.455722	-0.5166125	-0.025121834	0.3205568	-0.1652582	-0.3980335	-0.5296381	-0.16053335	0.26950377	0.2170923	-0.9998855	-0.999745	-0.9945459	-0.51232225	-0.026640952	-0.61286825	0.26812735	-0.39234212	-0.83450013	0.2766329	0.28659642	0.133568	-0.8349723	0.061525706	0.25389844	0.2829956	0.3695237	-0.107501745	-0.5349857	-0.98410034	-0.99973834	-0.08936918	0.6153249	0.15061611	0.3430617	0.27201855	-0.98793447	0.096298106	0.37374863	-0.38149837	0.204799	-0.5931632	-0.24632117	0.939328	0.29511464	0.8499366	-0.3978193	0.57853395	-0.021782417	-0.63864654	-0.43534797	0.36826327	-0.55228525	0.08733051	0.42625532	-0.055100728	-0.33546248	0.0485841	0.1449587	-0.1657288	0.038948476	0.67935073	-0.26780197	0.66085947	-0.057995528	-0.7775876	-0.24246417	0.04870813	-0.4053649	-0.0487299	0.33474633	0.9988807	0.5588627	-0.6220964	0.025673816	0.4796603	0.30198258	0.32201427	0.42070174	-0.1636684	0.43950015	0.57754827	0.6272483	-0.45580006
233	1	N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl	-0.6164479	-0.006264828	0.30075157	-0.034329183	0.07152735	-0.37957332	0.1797074	-0.011972624	0.27822363	-0.019936098	-0.52785575	0.01920906	0.16414864	-0.15591635	0.398316	-0.7818673	-0.058111627	0.2407775	0.12635235	-0.26928747	0.86762047	-0.36501995	0.84281254	0.28698906	0.17694087	0.7969766	0.14975338	-0.24844337	0.5119445	0.07324093	0.13631961	0.57690847	0.000208388	0.3735844	-0.22879592	-0.37709185	0.20075046	0.122764796	0.9542381	-0.7660492	-0.98260653	-0.10754899	0.22624484	-0.6060336	0.40311787	-0.9817661	0.47984037	-0.017241292	0.9408504	0.0682672	-0.4190042	0.5315082	-0.41786897	-0.07316541	-0.9352678	0.27619016	-0.9080381	0.5790141	0.08908468	0.40483254	0.78808314	0.031487584	-0.4090883	-0.20606966	0.036818728	0.5973546	0.31487542	0.18438607	0.44576544	0.4831978	0.31433418	-0.80475664	-0.34571257	-0.52418995	0.7784754	-0.42733914	0.5603451	-0.73352176	-0.5966124	-0.99378186	-0.3661292	-0.8081626	-0.90813655	-0.06098694	-0.31299144	-0.19842938	0.5309424	0.4975933	-0.1901193	0.020631336	0.23547497	-0.36912766	0.45621154	0.276064	0.9490241	0.35564274	0.5283729	0.40034738	0.27977338	-0.2082461	0.8033238	-0.8227523	0.85161006	-0.9246378	-0.11722931	-0.6537263	-0.19020724	-0.108088575	0.9833331	0.08053965	-0.8461952	-0.2953646	-0.42958122	0.8547249	0.6216627	-0.037017237	0.16897295	0.34767666	0.99964267	-0.7302046	0.56180763	0.44193885	0.21075946	0.25820726	-0.091902934	-0.11554312	0.033899963	0.65886885	-0.106129855	0.99893063	-0.39289397	-0.25201124	0.6839866	-0.32428634	0.5085817	-0.9525961	0.80085206	-0.1632108	-0.7985085	-0.6661187	-0.9980018	0.31984982	0.9817686	0.50664395	-0.09913355	0.35750237	-0.006308394	0.3547804	0.9054734	-0.78507805	-0.24746647	-0.7243216	-0.3250257	0.06657203	-0.3538843	-0.24544759	-0.42585167	0.994294	-0.8273999	-0.95583904	-0.9768183	-0.121260196	0.034165833	-0.07578	0.86234635	0.3419081	-0.2367989	-0.8974107	-0.34265924	0.48938194	-0.8971382	-0.36531332	-0.6456869	0.027360965	0.6057723	-0.70164853	-0.9432968	0.50197405	0.38920107	0.54910195	0.3386112	-0.83138514	-0.3864554	-0.51623213	-0.4312226	-0.27518496	0.575161	0.3925212	-0.5808183	-0.51439196	0.9109101	-0.20804195	-0.21400733	0.07257838	-0.42913237	0.30225265	0.4153774	0.62449366	-0.3505114	0.6721987	-0.7004788	0.5949888	-0.518957	-0.63517547	-0.5940392	-0.635713	0.3968464	0.7687341	0.35753646	-0.9937374	0.67780936	0.04784924	0.6147545	0.12077549	-0.17983717	0.11864214	-0.02491107	-0.51166004	-0.5608674	0.01170841	0.63631415	-0.83869433	-0.39779216	0.13138899	-0.81889516	0.3422649	0.29144424	0.42056367	0.14297268	-0.16330177	-0.014559438	-0.047405794	-0.004816979	-0.5003532	-0.013554628	-0.862463	0.2504789	0.038625658	-0.6135143	-0.25469157	0.7826593	0.7643102	0.87861633	0.1818387	0.1464415	-0.018022133	0.05339031	-0.16223356	0.21884397	-0.6813069	0.04566333	-0.9989471	-0.124983326	0.14751329	-0.87400186	-0.5686246	0.58788526	0.18382418	-0.6903509	0.32158446	-0.4824399	0.42437086	0.07119887	-0.76488197	0.75042295	-0.27462217	0.12530099	-0.29724	0.7347819	0.14165471	0.043675326	0.8660985	0.032871973	0.24289197	0.2904219	0.9340925	-0.5528153	-0.38523698	0.116069935	-0.4723147	0.67525035	0.9991651	0.37417248	0.57731736	0.2584114	0.24042195	-0.3819445	0.7564102	0.91120553	-0.28084207	-0.39251044	0.9985493	-0.40859002	0.9560879	0.1310213	-0.5393253	0.99889946	-0.9686136	0.40895107	0.3686454	0.38340646	0.28304312	-0.55935735	0.19479582	0.07072461	-0.4666773	0.957419	0.5812177	-0.8506457	0.31931582	0.51472163	-0.3654735	0.56290746	0.041126452	0.38402644	-0.17813542	-0.48508704	0.5142376	-0.9999651	0.12217145	0.13879171	0.512109	0.43421558	-0.33614397	-0.5124564	0.085833535	0.75580764	-0.96781516	0.5582165	0.11113694	-0.29102275	-0.010420295	-0.15825191	0.48889905	0.24512498	0.6045834	0.09033412	-0.38954327	-0.45211998	0.7132241	-0.17076549	-0.8442847	0.20401643	-0.64664733	-0.77170396	0.21068904	-0.4854577	0.19907561	0.089393444	0.70568484	-0.9913406	-0.37698436	0.18797645	-0.30336165	0.38067183	0.5884553	-0.11133925	0.9983243	-0.29509062	0.48184645	-0.2512428	0.3390006	0.51444787	0.35366207	-0.7583031	-0.89830256	0.6296048	0.79367864	-0.035356507	0.008646465	-0.545513	0.7100055	0.8137333	0.6777157	0.029475866	1	0.6848153	-0.28969488	-0.10839514	-0.2497401	-0.9395863	0.112852626	-0.6746349	-0.4492459	-0.5279718	-0.3613668	-0.63081545	0.13130331	-0.7585165	0.9087624	0.63553053	-0.4589872	-0.028684622	0.15478142	0.29341868	-0.8815566	-0.11351501	0.26196727	0.9571937	-0.04987778	-0.7779124	0.07045829	0.05195979	0.7331886	-0.5764316	0.30193868	0.18550307	0.55694556	0.28544092	0.2856552	0.8559589	0.5533154	-0.12066801	0.33412328	0.3591236	0.66952854	0.9999999	0.049336016	-0.99047816	0.7461645	0.9991979	-0.8431691	-0.16869728	-0.99996287	-0.64694345	0.7018052	0.7736623	-0.3933033	-0.54413456	-0.32164216	0.38110876	-0.5452837	0.21640213	0.12460687	-0.28723416	-0.49750668	0.5978046	0.14589901	-0.99998814	-0.9987408	-0.99623597	0.39861965	-0.3028499	-0.28597763	0.27400225	-0.70581686	-0.9401996	-0.17575997	-0.19916889	0.5221261	-0.8534233	0.39242053	-0.34349668	0.05679152	0.28062183	-0.1262119	-0.7703404	-0.9243863	-0.99994385	-0.06355163	0.15599816	-0.58919924	0.1300701	0.61877275	-0.9103449	0.55383873	0.46726754	-0.431606	0.1566638	0.5729795	0.3524569	0.92837	0.17255037	0.10300654	-0.6187009	-0.09323727	-0.42584458	0.4158601	-0.44607612	0.47070327	-0.53645116	0.086194955	-0.6303008	0.45780486	-0.68567497	-0.73611766	-0.3184787	0.7066328	-0.6292074	0.8515268	0.13232765	0.792867	0.25096932	0.18169025	-0.43169972	0.43753508	-0.7447577	0.4581047	0.016419189	0.9992539	0.6257589	-0.3884462	0.46585417	0.50476044	0.39423206	0.38762766	-0.6912551	-0.7207305	0.708615	0.94902575	0.6334921	-0.035246246
234	1	CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21	-0.54731536	0.1673415	0.8268162	-0.055620186	-0.4624957	-0.22831933	-0.2885875	-0.18325028	-0.38989586	-0.43834594	-0.9019199	-0.28887066	0.77269155	-0.61247706	-0.14504682	0.47713432	0.37558985	-0.38350782	0.36949	0.4222435	-0.3262079	-0.447072	-0.049962923	0.51043963	0.41553864	0.5817329	-0.44639862	-0.5343399	0.025032677	0.27719885	0.6986751	0.16108799	-0.44566196	0.1912074	-0.8277066	-0.4012698	0.41430274	0.7621638	0.9958412	-0.95457447	-0.960647	0.20412388	0.11249132	0.59161294	0.14771934	-0.7910225	0.38481453	-0.29721692	0.86280495	0.10222261	0.48887002	-0.72485584	0.28717628	-0.6102095	-0.8041262	-0.30481157	0.5482491	0.43690675	0.2404049	0.50673527	-0.3705853	-0.3159706	0.2951537	0.26826543	0.66342527	0.10001485	0.10793943	0.44808668	0.29876867	0.51357967	-0.36833796	-0.39055485	-0.07459776	-0.43301657	0.6017305	-0.65425915	-0.63901895	-0.40872133	-0.28132606	-0.9967137	0.19908462	-0.5414988	-0.9171934	-0.20809324	-0.07148742	-0.9419902	-0.116376065	0.37237835	-0.09811111	-0.4079825	0.2920927	-0.22176848	0.38884142	0.12805758	0.8512973	-0.69266164	0.69008994	-0.24256288	-0.09136378	-0.69281065	0.5392479	-0.64267486	0.35091576	0.7699596	-0.9482388	-0.25486457	0.7773351	0.38302976	0.9804005	-0.23721611	0.45497864	-0.68612874	0.7847404	-0.19844534	0.354281	0.70334125	0.47080344	0.567327	0.9936821	-0.31602234	-0.07534995	-0.44842246	0.1085237	-0.76114935	-0.05657274	0.44876257	0.121025905	0.386706	-0.50521433	0.99996656	0.70528543	-0.037545856	0.02456549	0.50222653	0.019586602	-0.9796045	-0.48035482	0.7688246	-0.3019513	-0.51276475	-0.9999507	-0.23288856	0.98278636	0.21372412	-0.022621987	0.3711868	-0.49864525	0.20837712	-0.36482057	-0.5601566	-0.2419427	-0.17944983	0.626926	0.52697074	-0.76284826	-0.23985445	0.47510254	0.7701181	-0.5915288	-0.8468055	-0.88122094	0.1989706	-0.40987217	0.40947363	0.49588388	-0.14850317	-0.005287642	0.5709194	-0.078969166	-0.51575774	-0.2211884	0.19227104	0.38298032	0.4060461	-0.2249747	-0.94718313	-0.6830132	0.24036989	-0.4450253	0.22660844	0.2174443	0.6883773	0.65501004	0.15451713	-0.516851	-0.7769219	-0.13684043	0.34710056	-0.41177925	-0.38625744	0.2857335	-0.04106996	-0.41903916	0.6526309	0.33091828	-0.22978014	0.10180944	-0.7651783	0.5307821	-0.1462525	0.023537716	0.06290938	-0.7621553	0.3806131	0.25832543	-0.3913006	0.40463117	-0.5707761	0.20752063	-0.9996723	0.5266998	0.3744536	-0.62172097	0.848817	0.48286605	-0.14107491	0.06594568	-0.08264487	-0.08568224	-0.30998522	0.22991218	-0.43292594	-0.9219153	0.36481076	-0.98198134	0.010822026	0.17756742	0.5404862	-0.35550326	0.21108761	-0.17721035	0.014404204	0.04273417	-0.024337152	0.34303606	-0.07108744	-0.34883258	-0.46066234	-0.22116552	0.18055278	0.9418317	-0.56064504	0.03662471	-0.07446915	0.8625352	0.17138	-0.057250623	0.23373814	0.73267925	0.15839832	-0.6846886	-0.72065663	-0.5524793	-0.04647203	-0.23418371	-0.46892425	-0.5953919	-0.20621178	0.26270613	-0.7823869	-0.45271933	-0.69248635	-0.56516045	-0.2552003	-0.418337	0.6214264	0.021153819	-0.6292321	0.7065637	0.6553582	0.68700564	0.97739965	0.31402993	0.37333855	-0.47639927	-0.61956406	-0.40825295	-0.4142591	-0.8265794	0.24900198	-0.6594442	0.99803096	-0.09387333	-0.3184293	-0.59825057	0.15810543	0.4277805	0.95313555	0.96432126	0.6401404	0.19211109	0.9809604	0.39844346	0.67829823	0.4154647	0.27344847	0.99999535	-0.9969011	0.12367224	-0.11821639	-0.44630244	-0.105752386	0.17359263	-0.62066394	0.034998108	-0.7378098	-0.58719456	0.46232715	0.189821	-0.16762128	0.45422703	-0.29006356	-0.34577084	-0.27042547	0.92689687	-0.7269642	0.51231426	-0.012250244	-0.99997205	-0.16839153	-0.51732624	-0.5016129	-0.2640505	-0.6214906	-0.26313993	0.3239098	-0.45728225	-0.89167213	0.19449662	0.6847618	-0.17540695	-0.05076405	0.44647133	0.3307889	0.44024882	0.88352156	-0.56579846	0.8615043	-0.13733487	0.3488546	-0.23638266	0.14479293	0.05977112	0.66745114	0.5103062	-0.5007037	-0.14958565	-0.17713052	-0.431809	-0.42466903	-0.974945	0.25002295	0.064349405	0.5948706	0.5707559	0.044906087	-0.004478904	0.9992643	-0.60691184	-0.5334346	0.7451246	-0.53812104	-0.7560718	0.33884218	-0.9444825	-0.11519169	0.4666686	-0.62039447	-0.5543801	0.3466546	-0.3875296	-0.013761785	0.23277675	0.15289901	0.13022582	-0.99329734	0.26440027	-0.2680075	-0.7896409	0.486235	-0.33680147	0.1557289	0.15927278	-0.01996845	-0.20734876	0.053688895	-0.6326985	0.02962308	0.38212654	-0.33079505	-0.22849213	-0.013614009	0.000776088	0.23765902	0.18782645	-0.035859454	-0.1568125	-0.62853855	0.42328757	-0.860223	-0.72119015	-0.23335567	0.2676709	0.7226779	-0.32761654	-0.25258633	-0.5372423	-0.76241213	0.32190293	0.83032995	0.5272226	-0.08051407	-0.3172214	0.7289631	0.26765838	-0.08561526	0.99999964	-0.25478488	-0.9465428	0.28378707	0.99946654	-0.8399242	-0.12362902	-0.99995303	0.4889354	-0.70910954	0.25500128	-0.15540843	-0.09666134	-0.5718395	0.32275695	-0.5195615	-0.64711773	0.6056455	-0.29414627	-0.4228801	-0.15771353	0.036559075	-0.99995923	1	-0.75698423	0.35022846	0.463115	-0.26839375	-0.26815364	-0.576331	0.05994237	0.33222935	-0.04163143	0.5464432	-0.6805723	-0.15418045	0.07164974	-0.3917216	-0.61343086	0.13016558	-0.36169648	0.27257353	-0.9997741	0.18609442	0.45713276	0.2518216	0.19570254	0.50029284	-0.99550885	-0.32656595	0.20827354	-0.4411051	0.098702624	-0.6753885	0.7228538	0.973993	0.03568843	0.6845826	0.74584746	0.32920712	0.2524643	-0.6839148	0.07411651	-0.22297043	0.03900406	-0.8769587	-0.81128496	0.5008881	0.8366771	-0.20205545	-0.010754464	-0.30359617	0.41842058	0.10363827	-0.022949237	0.22903155	-0.26871577	0.98395056	-0.32827717	0.57034266	-0.18520373	-0.39486125	0.68039745	0.99985373	0.36936986	0.49623987	0.30932975	0.5923982	-0.684812	0.10132315	-0.97248757	0.50984615	0.7106825	0.62675774	-0.07119914	0.49504873
235	0	CC(C)OC(=O)Nc1cccc(Cl)c1	0.06895079	0.089573614	0.005722523	0.5446613	0.008296859	-0.14342552	-0.6375202	0.21810943	-0.011092609	-0.0733414	-0.6887068	0.18766265	-0.25753847	-0.20143075	0.07327803	-0.18131453	0.11067216	0.09378587	0.116170615	-0.07871393	0.64361596	-0.7528802	0.09659859	0.3042669	-0.23687309	0.61148083	0.12628055	0.029947722	0.1811527	0.33532277	0.33912757	0.47366217	0.027408559	-0.033006966	0.074864596	0.24256872	0.39516234	0.5921104	0.61942065	-0.9284123	-0.9963849	-0.11922706	-0.63950336	0.33549222	-0.035976432	-0.99221516	-0.1866434	-0.32247645	0.89942706	-0.5025008	0.45238402	0.051588394	0.11960416	0.33150974	-0.8539672	0.73502165	-0.3756067	0.91979265	0.27812508	0.7032204	-0.17271991	-0.5743434	0.4478132	0.10196069	0.08235704	0.29789603	0.72223854	0.48718095	0.006883869	-0.40202183	-0.32145703	-0.963926	0.1333261	0.24239059	0.4735771	0.1919795	-0.42847696	-0.10592568	0.24364878	-0.99958605	-0.33744806	-0.073595054	-0.7858325	-0.08580644	0.6200624	-0.44078025	-0.1095104	-0.032892186	-0.5222135	-0.00558135	-0.41577336	-0.31579655	0.54546106	0.41696948	0.98008215	-0.49564072	0.36415747	0.38524982	0.279337	-0.4809563	0.41051957	-0.5012131	0.55699986	0.6879102	0.62704456	-0.527596	0.6188667	0.6958566	-0.83130753	0.0758297	0.15314741	-0.29308403	-0.08397058	0.18680155	-0.11084437	0.29549128	-0.17399718	0.691553	0.9991272	-0.20482883	-0.31646276	0.03484306	-0.23451021	0.124781184	-0.4279714	-0.32740277	-0.35631064	-0.3080616	-0.41647542	0.99963045	0.4785652	-0.11362722	-0.030013356	-0.049853705	-0.099372	-0.923098	0.4293325	0.40629455	-0.60348177	0.46443152	-0.99122864	0.21375147	0.97453856	0.281036	-0.53324175	0.523907	0.08341063	-0.12606212	0.9774441	-0.42795303	-0.07897355	0.6840276	0.08654795	0.6716338	-0.4205129	-0.000587683	-0.1815147	0.9977511	-0.6149001	0.5140304	-0.9836885	-0.07916984	0.026138766	0.2808654	-0.38455132	-0.271154	0.16620262	0.33260027	-0.42775652	0.43438128	-0.18058972	0.049866278	0.77344555	0.022696663	0.15655288	-0.9567015	-0.7299592	0.1298787	-0.30832058	0.07812846	0.16947934	-0.64116347	0.19455817	0.18291484	-0.91118115	-0.4617066	0.58501446	0.43896624	-0.015049632	-0.3981621	0.09687019	-0.17016743	0.41598696	0.2969125	-0.16723827	-0.07293726	0.35104135	-0.92584515	0.592751	0.011216189	0.23857053	-0.42715397	-0.65131813	-0.0516936	-0.08450865	-0.15811503	0.49381286	-0.024260597	0.21762365	-0.9859979	-0.267051	-0.005608831	0.28465667	-0.49627915	0.017683307	0.37384754	-0.42513803	-0.16392595	-0.39854982	0.07328436	0.6015641	-0.19968648	-0.3051342	-0.49696916	-0.7937437	0.007401332	0.04566718	-0.46394333	-0.20922695	0.20882712	-0.1841687	-0.17536746	0.15935887	-0.2969118	0.59863347	0.08171492	0.40572083	0.45715165	-0.13851489	-0.30801475	0.91056037	0.20509109	-0.08314835	-0.72371423	0.5295616	-0.6757514	0.27733305	0.07766369	-0.03080492	0.14080553	0.7109548	-0.9983463	0.13154984	0.45192572	-0.2357188	-0.10699031	-0.5800485	0.45248494	0.5218842	-0.3211619	-0.08269143	0.31210938	0.34408277	-0.6390647	0.67565733	-0.24267931	-0.059384495	0.5342162	-0.27397773	-0.14434142	-0.026803715	-0.37673953	0.26439306	0.5075363	0.068704955	0.1424358	0.66896534	0.4429517	-0.051358562	0.19127823	0.25983924	0.9996785	-0.30820373	0.13176775	-0.051340897	0.018556679	-0.12629816	-0.12249651	-0.4610023	-0.26785746	0.42544216	0.99941546	-0.31925467	0.44557205	0.3409379	0.38941726	0.99587965	-0.9650373	0.1763875	0.42766958	-0.42375168	0.33167183	-0.12138764	-0.34412348	-0.17120545	-0.09856428	0.9829316	-0.08772235	0.58835447	-0.06989344	-0.17178553	0.15739313	-0.006020048	-0.4083544	0.6750178	-0.49788284	0.07695195	-0.22514413	-0.98461884	-0.18243188	-0.64125043	0.522334	0.08126563	-0.7722955	-0.02737068	0.40988925	0.18953475	-0.96177346	0.30602998	0.47043797	-0.27969933	-0.24262233	0.05350649	0.058125526	-0.3333924	0.16732569	0.21638367	0.5423079	-0.26763162	0.14542872	-0.20005904	0.25543413	-0.082436815	0.7745283	-0.025008107	0.09975123	-0.5371962	0.014533567	0.15126663	0.7560834	-0.99703026	0.33573923	-0.16148631	-0.33262	0.35386685	-0.3088848	0.37331635	0.9989483	0.13360325	-0.47586128	-0.029544368	-0.13803053	0.34269318	-0.2965201	-0.8222613	0.15005584	0.4324798	-0.5935967	-0.11045018	0.16847627	-0.32662028	-0.093815565	-0.048697334	0.87496233	-0.11703598	1	-0.20759116	-0.42291504	0.030208243	-0.64325905	-0.66309005	0.091060005	0.109246634	-0.08517128	0.31673536	0.25451574	0.35861537	0.5856754	0.07051939	0.6057235	0.11738785	0.09383152	-0.31756583	0.20998035	0.3147035	-0.42387667	0.2995435	0.3613514	-0.09550451	0.2678912	-0.63192993	0.037590567	0.0776455	0.46914494	-0.28864425	0.015167167	-0.06285757	-0.50674945	-0.3428028	-0.07362243	0.19804268	0.12344111	0.09565751	0.054157186	0.11328634	0.30082613	0.9999632	-0.3566654	-0.9778624	-0.046625283	0.999865	-0.5088169	-0.24927503	-0.9988668	-0.40741396	-0.29730788	-0.043953255	-0.44515836	-0.60995775	0.37280235	0.5351797	0.12919371	0.41114548	0.66117465	-0.35852802	0.3338176	0.29423714	-0.080491334	-0.999971	-0.9997658	-0.9782506	-0.26948124	0.33364812	0.013065889	-0.4265549	-0.36465836	-0.6058174	-0.03147331	0.11672168	0.106090344	-0.76515496	-0.17819615	-0.023281932	-0.14081702	0.21792726	-0.43395403	-0.31306764	-0.96427613	-0.9999403	-0.24674506	-0.24959312	-0.37119704	-0.48602617	-0.026304102	-0.97929084	0.15135717	0.5045509	0.2499622	0.011052391	-0.4280337	0.12036229	0.9342252	-0.24299642	0.9140151	-0.016271938	0.0800636	0.14316367	-0.5273565	-0.07626125	0.08634481	-0.029193573	-0.15877956	0.25756904	-0.14144735	0.028786667	-0.034146916	-0.4806617	-0.77198744	0.24439207	0.5030747	-0.4011682	0.26720673	0.067821756	-0.41435295	-0.17863765	-0.29485095	-0.2712727	-0.4276836	0.21701787	0.9999556	0.22010563	0.51669145	0.46438664	0.48548636	0.0811717	-0.08122836	-0.3539065	0.074608065	-0.4448214	-0.2288159	0.335598	-0.12121539
236	0	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1	0.7713688	0.67459786	0.08690573	0.011809845	-0.75710756	-0.14724673	-0.69924074	0.12620172	0.252717	-0.3441952	0.23823811	-0.422326	0.59368986	0.112424865	-0.1606499	-0.5617299	-0.74840283	0.44033164	-0.34132957	-0.47133586	0.64254004	0.28472462	0.025062365	0.4762939	-0.3878975	0.16680108	0.35351562	0.3127791	-0.566192	-0.33466572	-0.454554	-0.4900173	-0.425217	-0.24259104	0.24256772	-0.3178584	-0.34277144	0.09858064	0.99848545	-0.01667365	-0.9154295	0.611281	-0.13860779	-0.090569176	0.40355593	-0.51825106	0.58539706	0.5144867	-0.44752166	0.5102896	-0.29470465	0.058982763	-0.3209145	-0.07990041	0.13851906	0.6612156	-0.4966387	-0.5679075	0.26855665	0.027775556	-0.23645593	-0.050470427	0.27960983	0.1633247	-0.17830338	0.2571938	0.65894675	-0.34693366	0.43081322	-0.42421225	-0.98520637	-0.99970007	0.5232129	-0.40326735	-0.7072501	0.43632573	-0.56937355	-0.6554003	0.54464006	-0.99957126	-0.25867915	0.3783801	-0.8649109	0.38347	0.14034198	0.17296903	0.7023192	0.041739568	-0.49814793	0.5979475	-0.46032545	-0.23168717	0.2897122	-0.047666624	0.9999778	-0.36060095	-0.79165286	-0.10922283	-0.3801465	0.16433245	0.5702115	-0.7273676	0.61133945	0.9542026	-0.98719233	-0.9948685	0.1811734	-0.087475844	-0.9997164	-0.23503833	0.09098605	-0.06217527	-0.87391573	0.3705271	-0.25550336	-0.112417996	0.54017186	0.4023857	0.9915547	-0.40376267	-0.68475455	-0.2024264	0.6140054	0.5950182	-0.4816578	-0.71348834	-0.23370226	-0.053746775	-0.1274809	0.9251981	-0.13816792	0.005446856	0.08512845	0.025901942	0.32297456	-0.9870283	-0.686831	-0.3264598	-0.59573454	0.73790395	-0.9999804	-0.4999335	-0.5779105	-0.24095239	-0.116961285	-0.14986314	0.20867497	-0.67085993	-0.8738153	0.460764	-0.11686152	0.8495389	-0.65353304	0.06780356	-0.14953588	0.5806943	0.61729836	0.26219591	-0.4431829	0.90147275	-0.8147095	0.1344174	-0.40565035	-0.31237838	-0.32520497	0.052947056	-0.46203515	0.10259709	-0.1477345	0.2629234	0.18383588	-0.53262705	0.24788202	-0.42073518	0.4364274	-0.116820335	-0.33911446	-0.025803827	-0.8319699	0.047216002	0.62411237	-0.999542	-0.17162652	-0.5857262	0.25288597	-0.45650366	0.37070483	-0.23963483	-0.6758906	0.16937885	0.5678638	0.05760281	0.34735146	-0.680207	-0.08957605	-0.5544097	-0.26731914	-0.7793136	-0.49397525	-0.078710526	0.59900284	-0.08649902	0.46128076	-0.35532543	0.24751137	-0.17828	0.942672	0.30979532	0.42581832	-0.99976563	0.15898539	-0.46953958	0.026384154	0.15091747	0.18874316	-0.46802938	-0.35641545	-0.6316725	-0.17073709	-0.09640545	-0.5586976	-0.030335166	0.7195986	0.071863614	-0.9665508	0.37905627	0.10123465	0.55077463	0.0779391	-0.17614904	-0.6442584	-0.16087618	0.30711624	0.01577484	-0.08869114	0.2774258	-0.31085613	0.3173695	-0.831642	0.51949483	0.8910581	-0.20536163	-0.13699163	-0.2645317	0.14670795	-0.4547012	-0.025097318	0.50344497	0.3958497	-0.017292604	0.6694902	-0.9823384	-0.27852014	0.20622978	-0.077534735	-0.025321797	0.4522528	0.24494797	0.17548016	0.413241	-0.6245245	0.41275805	0.49316454	-0.22696012	0.5969625	0.46083626	-0.5235844	0.17175142	0.70650214	0.016709164	0.4765149	0.9459496	-0.2575235	-0.3171337	0.08404511	-0.8498947	-0.53390706	0.90911454	0.6906225	0.6971312	0.43516245	0.9968276	-0.7071399	-0.36600143	-0.14565605	-0.3425927	-0.1983148	-0.9558055	-0.99907494	-0.30460963	0.44473243	0.94992507	0.14543091	0.11922259	0.82963574	-0.110199966	0.99994725	0.03879175	0.56878555	0.21416853	-0.7024738	0.1851696	-0.6589978	-0.36667967	0.8452541	0.91471976	-0.8938278	0.073529474	0.8747496	0.011905935	0.32335165	0.16181459	-0.21641478	0.17747667	-0.94704556	-0.28279242	0.52241755	-0.08726781	0.98599225	0.26969054	0.5092486	0.725547	-0.15722574	-0.61238396	0.5693117	-0.36053002	0.17418094	-0.22921559	0.19425742	0.011618899	-0.08277557	-0.32800764	-0.44438308	-0.6004138	-0.11201649	-0.9621967	0.3814866	0.19489083	-0.44197178	0.21257979	0.4743432	-0.5231285	0.37040183	0.5947537	0.18877117	-0.63308007	0.3984294	0.36737344	0.6695404	-0.8799423	-0.90376955	0.31885847	0.5857802	0.021945072	0.053417053	-0.42740422	-0.15275978	0.9995538	0.34858233	0.32403803	-0.06989835	0.071165435	-0.3277794	0.6142487	0.2672785	-0.7438878	0.63496697	0.042788092	-0.2807511	-0.14259003	-0.2959472	-0.22295584	0.35801914	-0.66121763	-0.44091296	0.99574775	-0.34873605	-0.4779646	-0.2947186	-0.23365274	0.21853195	-0.21831252	-0.42024454	0.38135195	-0.28875664	0.032459542	-0.026069779	-0.16351947	-0.43606728	0.7286145	-0.015432869	0.12060701	-0.12237421	0.6271008	0.4957434	-0.6317651	0.47628987	0.76525855	-0.67581105	0.88877785	0.99419725	0.4300155	0.68436754	-0.49942774	0.3792517	0.27306908	0.13333678	0.7732163	0.22824942	-0.77431047	-0.20228142	-0.40422013	0.8118334	-0.17743409	0.3875621	-0.3513523	0.93322617	0.30018204	-0.84333324	-0.39795822	0.9993999	0.6289871	-0.14122567	-0.9779438	-0.7569766	-0.7685112	0.17480831	0.23797818	0.30086103	-0.1746638	0.6552814	0.8716584	-0.6198784	0.38495138	-0.32710117	0.11725476	-0.11335096	0.48403484	-0.9999731	0.9967738	-0.36563715	0.40517533	-0.057957366	-0.44109914	0.09482213	0.5353919	-0.9125849	-0.13600597	-0.32649606	0.4717974	-0.06854866	-0.07250917	-0.18500288	0.78185517	-0.09392016	0.19789016	-0.26547074	0.07578084	-0.9998146	-0.07087578	-0.020766642	-0.05407034	-0.5470917	-0.26017272	0.9128641	0.76707643	0.71273786	0.3273444	0.52094305	-0.23945838	-0.14524776	0.97244495	0.2143229	0.8532057	0.02550044	-0.5962633	-0.44007024	0.18767385	-0.10901468	-0.35517034	-0.6762376	0.8437106	0.54970354	-0.109662764	0.32115352	0.40735137	-0.3750765	0.3039203	-0.41658667	0.7341509	-0.31786662	-0.7176059	-0.648316	0.9935808	0.084399395	-0.021141885	-0.26046658	-0.56923985	-0.50182825	0.9999909	-0.025218762	0.49429607	0.6956516	0.25892526	0.6042732	-0.1925365	-0.9927971	0.60852164	-0.9019367	-0.60867023	-0.17740813	-0.7311218
237	0	COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl	0.8485136	-0.14805405	-0.41626966	-0.112227015	-0.4530358	-0.049978614	-0.046275202	-0.13435847	0.100637816	0.026451906	0.122640215	0.09821593	-0.015601393	-0.06481557	0.24346155	-0.7756463	-0.3235577	-0.4625898	-0.7189487	-0.48183364	0.5575959	0.027763467	0.91014785	-0.254579	-0.10647549	0.20266247	0.2925788	-0.38024718	-0.09936803	-0.06470027	0.18411648	0.27652186	-0.11903769	0.13824905	0.16538	-0.48299104	-0.13434489	-0.16495657	0.99501944	-0.280801	-0.97906643	-0.09202252	0.23053561	-0.24836582	0.10219452	-0.87662673	0.32421052	0.24458697	0.9889418	0.67917514	-0.39680907	0.6502347	-0.4919357	0.78399605	-0.8458626	-0.021210464	-0.81332386	-0.21783131	0.1824254	-0.022208113	0.708853	-0.18944804	0.33662763	0.507913	0.47019094	0.81958264	0.14793307	-0.38182962	0.48242447	0.49873	0.19967957	-0.90868604	0.115271315	-0.52774787	0.7313057	-0.39536238	-0.5233017	-0.4904428	-0.009346507	-0.9995826	0.095495194	-0.76273483	-0.86865914	-0.003339866	0.055886988	-0.26986834	0.08280602	0.46680486	-0.4644263	-0.3013955	0.16891782	-0.14495587	0.6485794	0.64895666	0.99420434	-0.22368492	0.46431303	-0.009857464	0.14993745	-0.43637243	0.7821626	-0.44948065	0.7103801	-0.85938865	-0.89731854	-0.90301	0.19369264	-0.5791795	0.98010975	0.621899	-0.2248951	-0.13386127	-0.7348785	-0.373011	0.34066895	-0.079663575	0.08615788	0.009100539	0.99904907	-0.74045956	0.6230488	0.6158522	-0.48798844	-0.13280277	-0.2879879	-0.57088494	0.13245927	0.72438097	-0.38271314	0.99830073	-0.2441717	0.09401742	0.7427765	-0.13146786	0.22974111	-0.9730302	0.7606904	0.10386545	-0.72392744	-0.66669565	-0.99114126	-0.09016784	0.87218904	0.3243356	-0.42581522	-0.116413355	0.29108325	0.31918198	0.14161687	-0.73622876	-0.252054	-0.72659504	-0.287228	-0.23990741	-0.48785505	-0.5502593	-0.32512942	0.93148404	-0.9436521	-0.9280807	-0.9298816	-0.06074413	-0.2797849	0.1767274	0.38258502	0.43910834	-0.2933287	-0.60251766	0.33329904	0.36704877	-0.9141697	0.38580176	-0.19174747	0.09454852	0.72492564	-0.73998874	-0.8934784	-0.033380415	0.12998894	0.55336136	0.18598245	-0.98897064	-0.39681727	0.025042923	0.13117708	-0.48479053	0.7632157	0.632028	0.13537468	-0.45413825	0.8790111	-0.028975442	0.051266186	-0.40526265	-0.56492746	0.18872474	0.519099	-0.7831332	-0.26638663	0.63895714	-0.61711574	0.17153586	-0.41547546	-0.5326409	-0.39376837	-0.40857938	0.61292017	0.7195402	0.6537862	-0.9993804	-0.41404837	0.18002954	0.15016866	-0.008350594	-0.45153672	0.089698575	0.46498713	-0.24079001	0.022294866	-0.11929486	0.16943677	-0.5247769	-0.06869592	-0.13122699	-0.94134885	-0.1362174	0.5439804	0.39698625	0.44704837	0.12168882	-0.6327538	0.25939745	0.29558665	-0.56336707	0.004945453	-0.5241309	0.5001293	-0.22095229	-0.5736206	0.60798645	0.8636911	0.735296	0.8255094	-0.26059857	0.0668652	0.0338351	-0.37341028	-0.4677238	0.1548853	-0.75557846	-0.032957308	-0.9988646	-0.47860917	0.021362383	-0.74679846	-0.5684915	-0.25300822	0.41118878	-0.5114872	0.14184986	-0.42260623	0.09130249	0.85061884	-0.5953179	0.13912559	-0.13790555	-0.49177203	0.57217747	0.8665982	0.073718406	0.4473337	0.8698037	0.15579793	0.2286001	0.30475992	-0.780414	-0.4688123	0.17161271	0.37639487	-0.44941947	-0.2158837	0.9979657	0.03231826	-0.057700627	0.45473117	-0.42732033	-0.41334546	0.6701929	0.750518	-0.38839525	-0.4884814	0.99379736	-0.016321229	0.97050977	0.44594336	-0.16707712	0.99803454	-0.9289802	0.057693683	-0.2742068	0.42231563	0.35811007	-0.5990627	0.42724916	-0.028790725	-0.69908434	0.27838013	0.08910802	-0.7261384	0.5282336	0.05323684	-0.36444908	0.49965405	0.35824713	-0.6478147	-0.44857666	-0.6923832	-0.15743014	-0.9998992	0.49309796	-0.6540183	0.15600874	0.6170678	-0.33404842	0.10046927	-0.28836033	0.54791445	-0.9497412	0.65077096	0.21361056	-0.35930395	0.27809078	-0.7375157	0.29121146	0.42539546	0.09853059	0.38820484	-0.2252245	-0.6788449	0.5440555	0.16524956	-0.7278284	-0.39671594	-0.20521039	-0.279849	0.21528861	-0.10643445	-0.1242377	0.49942607	-0.05292407	-0.96208394	-0.053537235	0.44515738	-0.6567219	0.5583934	0.3073839	-0.078194045	0.999244	0.18406658	0.433567	0.17643963	0.071207106	0.21309696	0.35546777	-0.73330736	-0.77571356	0.48462084	0.82007796	-0.007364545	0.26530096	-0.4658914	0.7399803	0.77802324	0.25285122	0.502788	1	0.5156767	-0.02563794	-0.104895875	-0.6957908	-0.88355505	-0.20951015	-0.73987174	-0.2344027	-0.1458584	-0.24338377	-0.23776165	-0.100316286	-0.674367	0.852188	0.4599206	-0.09594853	-0.08594168	0.0897096	0.48520973	-0.91285676	-0.12720867	-0.22367443	0.91955715	0.41249114	0.29311043	-0.33677298	-0.25789008	0.5147222	0.15761366	0.26652056	0.055254772	0.37980843	-0.51559633	0.15707023	-0.49900627	0.12697229	-0.073150724	-0.36951596	0.58554274	0.34629264	0.99999994	-0.44157594	-0.98801214	0.46007857	0.99959046	-0.37513822	0.08154468	-0.99993724	-0.27642995	-0.18510182	0.7418891	-0.36915037	-0.5643183	-0.51633084	0.30983493	-0.16532685	0.18003881	-0.001183906	-0.33710754	-0.44104865	0.50295377	0.021851113	-0.99998796	-0.9976378	-0.9780031	0.12730744	0.06788194	-0.36649284	0.40855244	-0.40994644	-0.9388532	0.17714652	-0.2770915	0.21617253	-0.8109267	0.46263513	-0.26986474	0.064797655	0.7563277	-0.73095584	-0.8851483	-0.5411476	-0.9999073	-0.21856698	0.26431882	-0.3848099	0.45441663	0.33644816	-0.6110454	0.75694996	0.35550636	-0.52085114	0.3891903	0.4847421	-0.18516655	0.8964879	0.34506685	0.16330725	-0.67211574	-0.12715127	-0.64859134	0.44710508	0.075036205	0.40554163	-0.5186087	0.23588158	-0.805995	0.5124918	-0.42890665	-0.61448354	-0.10216085	0.6029591	-0.5213532	0.84939456	-0.08502056	0.6645262	0.47018188	0.9298603	-0.123616144	-0.046321217	-0.5234538	0.20758966	0.1365255	0.9992024	0.6601907	-0.6674138	0.031768415	0.28174308	-0.17909029	0.67349523	-0.9639264	-0.72170734	0.5464003	0.90503645	0.68838257	-0.66394824
238	0	Cc1ccccc1COC1CC2(C(C)C)CCC1(C)O2	-0.11784033	-0.34822005	0.000459917	0.36227122	0.1485167	-0.24651071	-0.29009318	0.011669174	0.046445448	-0.11709451	-0.33570477	0.28286746	0.7271415	0.4904922	-0.61406255	-0.5447912	-0.11952075	-0.26359805	0.52353233	0.46766946	0.095258616	-0.34196866	-0.13979092	0.5802777	0.30149606	-0.28259662	0.43748242	-0.19255061	0.2894857	0.4855006	-0.7475175	-0.036701426	0.22140291	-0.5997558	0.4079788	0.8264565	0.70731974	-0.002711069	0.9953325	-0.74950904	-0.80069524	-0.4118157	-0.39771336	0.2926124	0.17220615	-0.80399644	-0.25786984	-0.5191869	0.8530217	-0.55998397	0.04799677	0.42530683	-0.84224033	0.61109203	-0.7759323	0.52151746	-0.07368362	0.36966085	0.50625676	0.1822853	0.3880642	-0.04608916	0.43895993	-0.48191	-0.37286648	0.4924326	0.15892388	-0.6119217	0.017982814	-0.21952485	-0.13103132	-0.596481	0.21328443	0.676446	0.8200072	-0.32799536	-0.62540954	-0.36777776	-0.036921345	-0.999724	0.21414348	0.20744029	-0.9248302	-0.44294935	0.57871956	-0.9270442	-0.5798254	-0.7055325	-0.5555493	0.2732707	0.43952233	0.33896518	-0.4114147	0.14162074	0.91793966	0.10226804	0.94175524	0.63353616	-0.11538971	-0.7308312	-0.49067786	0.41739666	-0.2696648	0.89481944	-0.9534543	-0.14209473	0.07903317	-0.27930063	0.953321	-0.03607254	-0.4210522	-0.469073	0.5056143	-0.4132985	0.4193032	0.6288089	0.6538462	0.29220435	0.9934198	0.5917004	-0.5268165	0.21861257	-0.61280894	-0.09108231	0.38721365	-0.17065156	0.21685626	-0.38261417	0.44039673	0.9999081	-0.4378295	0.5094202	0.5340672	-0.46607783	0.39541888	-0.9790865	0.44332436	0.114202395	0.17639704	-0.1552784	-0.99999744	0.05048216	0.96773666	-0.040632524	0.11123811	0.1350008	-0.261411	-0.12393236	-0.4519299	-0.082817346	-0.10202901	-0.69026065	0.77987707	0.34669	0.13818991	0.29516843	-0.43788135	0.79261523	-0.73434913	-0.73105365	-0.90676975	-0.10164937	0.618241	0.52673364	-0.030091621	-0.6472897	-0.369585	-0.49528298	-0.7741522	0.0682604	-0.26871124	-0.33919507	-0.72700673	-0.05476675	-0.40967	-0.96790075	0.62356645	0.395953	-0.3372076	-0.7048866	0.24049298	0.50693077	-0.023258919	0.20575379	-0.02321405	-0.04641471	-0.44409284	0.3806498	-0.25341094	-0.035406746	-0.6861638	0.33351433	-0.25408417	0.073434584	-0.89500517	0.7507293	0.73401344	-0.7985565	0.46386266	-0.25765425	0.69556755	0.37106428	-0.69112206	0.30084258	0.07699975	-0.05817227	0.657241	-0.8644603	0.25065476	-0.99992526	-0.4423347	0.81179476	0.38173535	-0.7072479	0.5515679	-0.31237188	-0.11887491	0.5243558	0.76037896	-0.31585732	0.72268945	-0.198953	-0.5087195	-0.71075016	-0.971978	0.095614284	-0.000772649	-0.51418686	-0.423647	0.1536203	-0.12850577	-0.13549212	0.40247172	0.06781591	-0.56045157	0.3183129	-0.6648949	0.09660726	-0.5296621	-0.5030511	0.9285675	-0.72619873	-0.1243569	-0.121265605	-0.81236106	-0.43255892	0.12570682	-0.09260948	-0.1364156	-0.35828635	-0.23902558	-0.774279	0.46637687	0.17638242	0.5223788	-0.25678226	-0.15084057	-0.2599382	-0.5984528	-0.07151874	0.46010658	-0.007502428	-0.42173594	-0.4130685	-0.6172985	0.28436562	0.42716452	-0.07373373	0.5261101	0.48668233	-0.3906435	0.9984859	0.057571348	-0.2265559	-0.089073926	-0.62491345	-0.23343253	-0.72298133	-0.08904647	-0.16236953	-0.055576343	0.99845225	0.028406147	0.5767226	-0.24082737	-0.34915063	0.4561189	0.88707215	0.9795507	-0.3658349	-0.74784595	0.9810997	-0.53245836	0.10916871	-0.3075758	-0.27995816	0.99999845	-0.99521726	0.36757565	0.3138457	0.49189374	0.072786994	0.46138337	-0.42687187	-0.36089724	-0.62718946	-0.5841454	0.030985368	0.28396666	0.59360063	-0.2912888	-0.30254564	-0.13094202	-0.43679944	0.8849063	-0.7088802	-0.12090483	-0.22346069	-0.9998285	-0.47594953	-0.10904147	0.2405994	0.36887193	-0.2631189	-0.048402254	0.49202403	0.12631413	-0.72443444	-0.48123944	-0.27997813	0.40913406	-0.63808554	0.8178398	-0.16136694	0.36706445	0.74808156	-0.7312508	0.6112761	-0.13590246	-0.07008622	-0.029311758	0.29206115	0.8338376	-0.74952763	-0.1867934	0.24229938	0.63475144	-0.06373605	0.031930316	-0.3608134	-0.97450936	0.5055419	-0.6522213	-0.019849202	-0.18100032	-0.22305715	-0.14240703	0.9998333	0.030510265	-0.47426814	-0.22976725	-0.23251988	0.061406467	-0.024274059	-0.7817764	0.15493917	0.4250265	0.003351467	-0.18612021	-0.6581525	-0.36220556	-0.72236526	-0.4454985	0.08236656	-0.7964218	-0.98610765	0.105986685	-0.6628725	-0.32223526	0.04576616	-0.21051145	0.7898739	0.16319665	-0.42279702	-0.35580254	0.7003715	0.41576618	-0.012272184	-0.4973235	-0.8154603	0.54837346	-0.6444211	-0.42003372	0.11288856	0.22492035	0.38758996	-0.10259651	-0.32782283	-0.08855697	-0.4882211	-0.60879666	0.76823115	-0.5765082	-0.015543081	0.18137144	0.050865643	-0.07247005	-0.9117871	0.09072013	0.4762339	-0.55330956	0.4208742	-0.6886383	-0.28537768	-0.47039995	-0.19382608	0.99999887	-0.03334272	-0.9873925	-0.53081447	0.99931514	-0.106357455	-0.17827953	-0.9998921	0.7102038	-0.8146354	-0.6102467	-0.22609429	0.2410524	0.45300508	-0.73859626	-0.6420214	0.0622904	-0.112051435	0.6397036	0.7221666	0.5579891	-0.3995129	-0.9999211	0.9999998	-0.5899873	-0.12629719	-0.26859188	0.5808596	-0.23790823	-0.46279964	0.33154562	-0.1773736	0.42261928	-0.46332157	-0.28830567	0.05322939	0.14176163	-0.23086162	0.12345561	0.007166285	-0.06491261	-0.058407735	-0.99983495	0.5154281	-0.7749036	0.094180085	-0.6946055	0.2645427	-0.99225307	0.22958604	0.21127632	-0.1347928	0.33929294	-0.48754364	-0.80348927	0.5649446	-0.23187374	0.6175104	0.13456517	0.43628487	-0.076907404	-0.5977575	-0.20768903	-0.002791425	-0.29527375	-0.8232308	-0.60037494	0.4853674	0.64606786	0.23380297	0.028666796	0.3104372	0.035009213	-0.6916695	-0.3839515	-0.19746192	-0.017468365	0.9742636	0.5452883	0.14902805	0.14240357	0.04531082	0.63728446	0.9997699	0.5111414	0.4166447	0.13235925	-0.19951388	0.69480425	-0.24729417	-0.99220306	0.48753327	-0.139035	-0.29130355	0.34200063	-0.03742222
239	0	O=C(O)CC(O)(CC(=O)O)C(=O)O	-0.52489513	-0.052649256	-0.9451974	-0.15462057	0.5718498	-0.15453637	-0.23576228	-0.45932332	0.71818066	0.70782626	0.47627205	0.2590941	-0.49041137	0.22854988	0.026318405	0.7842497	0.1891798	0.3934789	-0.3086478	0.108681165	0.6954192	-0.6814911	-0.40656707	-0.71261716	0.020792264	-0.010660213	0.36208206	0.38073134	-0.021725455	0.14984584	0.04179007	0.32752806	0.44297907	0.10450608	0.07300352	-0.824598	-0.4648509	-0.42342743	0.79267603	0.62793595	-0.5496188	0.25244248	0.014037483	-0.08702867	0.74259835	-0.9912607	0.03618405	0.47261545	0.8180593	0.2620909	0.037374422	0.7291258	0.12321261	-0.15560824	-0.5918708	-0.17722395	0.36452708	0.80913764	0.32914707	-0.021619365	-0.5485947	-0.27658236	0.3500169	-0.22726336	-0.086332016	0.1284483	0.539896	-0.38665557	-0.07943566	-0.54335576	-0.43233785	-0.9998594	0.47281396	0.90991807	-0.8042263	0.7074837	0.26754305	-0.017281398	-0.51820284	-0.9989368	-0.95819527	-0.30974063	-0.13922773	-0.4807764	0.40661833	0.9809603	0.54680294	0.20114774	0.029447319	0.61496747	-0.18478873	0.562457	0.30291396	-0.31065407	0.99979126	0.000884473	-0.98217887	-0.60332775	-0.10288258	0.24572533	-0.008344122	-0.07815288	0.41804966	-0.6078283	0.459365	-0.42911333	0.47913167	0.002025356	-0.9999997	-0.5462524	0.24308275	-0.19188103	-0.7495038	-0.6952492	0.7268863	0.7634556	0.22626074	-0.44474676	0.99967974	-0.22721554	-0.49348924	-0.23768738	-0.80920756	-0.049520254	-0.64201635	-0.3560169	-0.24504006	0.51730764	-0.37670872	0.79777724	0.23312187	-0.6392777	0.14307189	-0.48795387	-0.41351172	0.9038391	-0.14237931	-0.022197053	-0.69683367	0.26709652	0.99957997	-0.13737841	0.029520756	0.080553375	0.76834005	-0.16566947	0.44591135	-0.22875422	0.94146496	0.19252592	0.03337505	-0.81205785	-0.19528463	0.114206396	0.0888318	-0.09323107	0.16661154	0.99571663	-0.81587464	-0.09504357	-0.9934979	-0.07961814	0.07604142	-0.28852907	-0.16755472	0.5398159	-0.5415193	0.58998287	-0.11990636	-0.25250003	-0.8168718	-0.108733155	0.4183881	0.020512324	0.77029	-0.94773597	-0.39122713	-0.19418427	-0.50726646	0.80377644	-0.21563782	-0.99993765	0.3189144	-0.6130148	0.5181173	0.07845565	-0.5627165	0.29595736	0.08723515	0.2574924	0.87488425	-0.16083084	-0.054137263	-0.07778041	-0.17768975	-0.65175307	0.7438355	0.9736233	-0.90298617	-0.4055943	-0.029028613	0.14406438	-0.28812397	-0.15425305	0.6815883	-0.10335064	0.5450218	0.8834842	-0.009107151	-0.99590725	0.43807307	0.07618695	0.4935872	-0.57578194	-0.08607386	-0.01292236	-0.35053676	0.056792647	0.11798718	-0.36292097	-0.6816442	-0.25656214	0.35634574	0.42444447	1	0.26382086	-0.74738306	0.6690461	0.53686804	-0.57636917	0.25482795	-0.3182455	0.32480657	-0.36811858	-0.5140799	-0.08028779	-0.23422046	-0.29558215	-0.50263226	-0.060774792	0.74720097	0.48140764	-0.13764605	-0.7000188	-0.901475	0.6150228	-0.6504769	0.0195952	0.10061891	0.19715329	0.4277819	-0.9998868	-0.37255633	0.031481776	-0.28620702	-0.41218403	0.3783117	0.7607016	0.33829746	-0.2661604	-0.030164434	0.20830019	0.5063854	-0.3170699	0.12144763	0.43317118	-0.03859947	0.8371686	-0.22493133	-0.093733974	-0.46474022	0.28885072	0.47820926	0.33682427	0.013923411	0.901226	0.18941276	0.21909355	0.5276316	0.22189774	0.06655437	0.99935484	-0.5861372	-0.6657138	-0.059145954	-0.50009894	-0.45325592	-0.99628013	-0.99615836	0.029531075	0.5035194	0.9992547	-0.42856967	0.79388225	-0.27626407	-0.28716853	-0.9986448	0.7439783	-0.2673972	0.21728723	0.2981936	-0.21157986	-0.7403243	0.63664025	-0.5172628	-0.042471282	0.97028214	-0.62217426	0.004710676	-0.37207	-0.1164519	0.58059925	-0.12148402	0.110820815	-0.99201834	-0.03291397	0.32737428	0.017967712	0.9999994	-0.20807125	-0.26738903	0.4429736	0.20413497	0.16367397	-0.17698927	-0.017286822	0.043186024	-0.25236502	0.06927857	-0.8079111	0.730107	-0.10956119	-0.33702844	0.066936284	0.583648	-0.99044013	-0.4374679	0.56602085	-0.6366892	0.04784891	0.4319918	0.15419371	-0.10354431	0.2307721	0.21620668	-0.11515951	0.16791558	0.07618995	0.21205397	0.79783016	-0.97666466	-0.28256345	0.10905774	0.110178076	0.37589052	-0.26369193	-0.7018668	0.99954396	-0.35966533	0.9829402	0.27387616	0.35275805	0.12572889	0.43669957	0.3684375	-0.056256775	0.021886801	0.5323693	0.23947199	-0.16064037	0.21485958	-0.029678494	0.44391364	0.73521584	0.4871047	1	0.49775144	-0.21363229	0.25998107	0.12639067	-0.67901057	0.013198965	0.1420922	0.3880511	0.6559594	0.7118354	0.42481324	0.6859727	0.07387701	0.3411451	-0.6493286	-0.17495388	-0.5371558	0.5889478	-0.4214447	-0.9445182	0.40379435	0.95084363	0.4937598	0.97104514	0.9629657	-0.32545796	0.21559091	-0.6413105	-0.5156967	0.5562373	-0.52864254	-0.08773453	-0.3638077	0.12720354	-0.2452477	0.56778395	0.03211042	0.21997729	0.6075744	-0.44597396	-0.9997907	0.10515827	-0.96970874	-0.3117834	0.9997912	-0.5867122	0.27148664	0.6361659	-0.6179433	0.8249028	-0.3150257	-0.42564756	-0.10898427	0.5272361	0.39371935	0.86163646	0.21181463	-0.5897383	-0.40465742	-0.77243227	-0.26459438	0.09840052	-0.9999654	-1	-0.99426806	-0.5552389	-0.08564162	0.8017138	0.39252612	-0.72131705	-0.7242903	-0.46070287	-0.45781237	-0.02582882	-0.16510083	0.30943093	-0.036482964	0.44008487	-0.43863901	-0.25077036	-0.44716126	-0.9743288	-0.9999468	-0.3265484	-0.5089108	0.30584168	-0.33731276	-0.060391754	0.96448106	0.48241663	-0.57451236	0.49036324	0.7636025	-0.061091643	0.20359117	-0.96720874	-0.050216712	-0.029396078	-0.5708716	-0.81578803	0.17268573	-0.87815756	-0.05013831	0.06790841	-0.00514403	0.9830869	-0.95884484	0.15418217	-0.20548053	-0.37939095	0.024790207	0.09370509	0.35410526	0.4673527	-0.73968256	0.09327211	0.26797324	-0.21522352	0.176348	-0.20761009	0.51352865	-0.06540211	0.122474775	0.9999245	-0.17317455	-0.59259135	-0.4365517	-0.54465425	0.07842022	0.26652193	-0.8327011	-0.6040754	-0.5765806	-0.5933568	0.8732381	-0.15704848
240	0	CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC	0.9963941	0.29285377	-0.684688	-0.23764247	0.71046406	0.76304364	-0.7074842	0.28535295	0.6145094	0.6463086	0.47924	0.5541431	-0.8110807	0.35132465	-0.66132694	0.03758997	0.27910024	-0.37456912	0.055386905	-0.3592852	0.3042352	0.18851136	-0.1781329	-0.56926525	-0.4645386	-0.7120129	-0.26236707	0.3992613	-0.72498256	-0.33689708	-0.11683012	-0.8357315	0.4163457	-0.58774227	0.29548168	-0.84657454	0.09109165	-0.013741312	0.9987871	0.7836636	-0.89779586	0.32381958	0.50164026	0.36051086	0.5247315	-0.49574366	-0.51994675	0.7041932	0.9973077	0.46688405	-0.13259986	0.6333014	-0.15338017	0.6954471	-0.3059189	0.4303	0.2624372	-0.5206962	0.36570206	-0.51267827	-0.66903967	0.7421079	-0.043239273	-0.12523688	-0.07119144	0.79942685	0.5897978	-0.2817759	-0.14359833	0.12952538	-0.1498037	-0.99958247	0.7272121	0.8863044	-0.5974716	0.52306014	0.3713849	-0.07151436	-0.17744099	-0.99997365	0.9283688	-0.43641445	-0.8418363	-0.34630707	0.52198344	0.8251013	0.64490825	0.33415613	-0.44888192	0.7597524	0.3319774	-0.11552403	0.33136854	-0.16518421	0.9999214	0.1263314	-0.72290456	-0.6488589	0.7232868	-0.036911763	0.40401614	0.031558923	-0.16638426	-0.7079512	-0.9860573	-0.9748172	0.4140292	-0.30968642	0.9872868	0.22712499	0.63998884	0.25197437	-0.7663766	-0.33451784	0.5101513	0.7306096	-0.16183749	-0.6653344	0.9959866	0.031920806	-0.49062812	0.1580771	-0.28643686	-0.3663579	-0.4330316	0.317185	-0.033278916	0.7217781	0.2838149	0.91648793	0.4711644	-0.087572776	-0.02385551	-0.37950218	-0.12359631	-0.9864255	0.24562651	-0.84733987	-0.90083766	-0.7843875	0.99861	-0.4976775	-0.6084411	-0.1857276	0.6004271	-0.6934685	0.339328	0.26103735	-0.85493344	0.7064286	0.6493175	-0.8924411	-0.53489894	-0.45802194	-0.07942399	-0.3003427	-0.277729	0.44627482	-0.95393693	-0.9266239	-0.8808291	-0.65606546	-0.3974383	-0.4220103	-0.6037438	0.55431825	-0.79745317	0.6279912	0.09649558	-0.32728148	0.043363445	0.6696234	-0.2654121	-0.16604045	0.4156901	-0.8720647	-0.5253793	-0.6014129	-0.8387327	0.66265607	0.31884518	-0.9999527	0.62489235	0.054848548	0.7758155	0.54356825	-0.12463233	0.49079368	0.06581995	-0.5573582	-0.15340705	-0.050436582	0.4862571	0.7664677	-0.19589946	0.71006405	-0.19348861	-0.92417395	-0.13631287	0.112683624	-0.08971666	0.057236724	0.18536799	-0.23108365	0.13617954	-0.33541542	0.5624377	0.39775458	0.19486953	-0.9999423	0.27287248	0.22794038	-0.5778495	-0.35196534	-0.37560743	-0.22892563	-0.36990035	-0.15950608	0.55601925	0.17661287	-0.33214986	-0.18041387	0.51026696	0.4255528	-0.9957354	0.17935218	-0.30406976	0.5494439	-0.07605936	-0.039477114	0.23286559	0.23180692	0.54232645	0.11526811	-0.604141	-0.05811139	-0.45836857	-0.5046634	-0.53226876	0.20936994	0.865253	-0.2884406	-0.009615453	0.7157401	-0.8655908	0.18679446	-0.69362843	-0.11276931	0.2625127	0.74807596	0.23602779	-0.9998599	0.27435672	-0.32980934	0.005903074	-0.31196195	0.51252645	0.3516971	-0.1978754	-0.296694	0.106125735	-0.2886734	0.7334386	0.3359934	-0.1369063	0.31524473	0.2382725	0.89275265	0.95477396	-0.29999298	-0.11471047	0.98719716	-0.29050633	-0.08407968	0.30753022	-0.97540796	0.8970858	0.50976646	0.5670092	0.27296817	0.13098156	0.99044836	-0.3046446	-0.8721496	-0.41646874	-0.386033	0.25014102	0.23292066	0.5469506	-0.7112141	0.72338	0.9556199	-0.66319716	0.9606732	0.3786556	-0.6130792	-0.9947881	0.14612485	-0.102696344	-0.42501256	0.46618584	0.13690314	-0.72522485	0.6522427	-0.62144434	-0.03461225	-0.779841	-0.718945	0.20547695	0.5226532	-0.14416984	0.65498817	-0.18669014	-0.06428791	-0.9945538	0.7871706	-0.12908489	0.014879089	-0.9999147	-0.42172062	-0.30393514	-0.6624163	-0.5421545	-0.36628193	0.7782461	-0.675556	-0.14417861	0.044667166	0.30159748	-0.68719923	0.80807316	-0.22687212	0.4676424	-0.5017469	0.14029077	-0.9615059	-0.24101532	0.5115747	-0.34310898	0.06704808	0.7311503	0.50454706	-0.10494559	0.40448833	0.04745659	-0.3181249	-0.632396	0.38544777	0.5137406	-0.69262326	-0.78759027	0.14740956	0.5639801	0.0721051	-0.24416512	0.27257445	-0.2877963	0.99986815	0.46309152	0.8308689	0.3221332	0.011049449	-0.6954523	0.303516	0.067569464	0.2985612	-0.10110606	0.6352104	0.22932139	-0.58405095	0.56687105	0.19876285	0.47919583	-0.34060252	0.37860346	1	0.39240444	0.53855693	0.15138182	0.31693283	-0.22106442	0.29997578	-0.072234035	0.47368664	0.6008199	0.4539449	0.5163043	-0.07079603	-0.86809933	0.45868707	-0.083145425	-0.028421154	-0.3210022	-0.15852502	-0.3675115	-0.9839729	0.16233613	0.11096426	0.6399591	0.921565	0.9946838	-0.4833235	-0.36753562	-0.47151116	0.29413098	0.2005811	0.32130682	0.65883857	0.051129896	-0.20571573	-0.93995833	0.32881716	0.007428458	0.21763098	0.6107935	-0.48059982	0.99999964	-0.4596231	-0.8899824	-0.66946685	0.9986869	-0.40284848	0.059461772	-0.99993324	0.18408254	-0.8275708	-0.35528108	0.03496718	0.43634844	0.6206896	0.084077336	0.9056852	0.5781929	-0.008307798	-0.4068988	-0.73979515	0.5625158	-0.2115054	-0.9997988	-1	-0.89946204	0.0787113	0.645556	-0.40103266	0.07145017	0.6150653	-0.73265505	-0.18170142	-0.2304166	0.39451528	-0.17248644	0.3413575	-0.01062172	0.4348856	0.28102466	-0.32382423	-0.11388921	0.12181787	-0.9995748	-0.12376492	0.0929173	-0.013026034	0.3145816	0.39384907	0.9702764	0.7813565	0.8330029	0.17561018	0.2029083	0.19761063	0.26804334	-0.89200974	-0.5852352	-0.80933905	-0.54862094	-0.17613131	0.42558914	0.9310274	-0.035869926	-0.05459677	0.123768814	0.96663433	-0.9678461	0.042965326	0.11327202	0.06114193	-0.012459168	0.74605036	0.4181597	0.6999127	-0.49057224	-0.41421872	0.23469824	0.9900443	0.53768986	-0.5053963	0.7439159	-0.34330148	0.14524941	0.9986038	0.6463871	-0.44724953	-0.6452053	-0.6138771	0.15790413	-0.58575773	-0.9981684	-0.5452192	-0.52963537	-0.13779381	0.7808216	-0.30688062
241	0	CC(C)=CCCC(C)CCO	-0.6426798	-0.5269388	0.008623486	0.08099407	0.4179821	0.30942872	0.14734095	0.4729467	-0.5635403	0.0478678	-0.5251262	-0.13888426	-0.36496794	-0.107546955	0.5168118	-0.37661698	0.5161808	-0.24602947	0.76693654	-0.07788521	0.15324147	-0.84639	-0.06455991	-0.38060126	-0.07020308	0.29729676	0.25979707	0.45881978	0.33334324	-0.3009245	-0.4396847	0.77118534	0.55789673	0.16275088	-0.4520128	0.3826904	0.194104	0.7126972	-0.4442996	-0.8572739	-0.9783399	-0.24961777	0.15349375	-0.31565425	-0.5327038	-0.99519485	0.24543285	-0.394866	0.9516875	-0.29363132	0.20815082	0.19377543	0.47940353	0.37484163	-0.9349588	-0.4080244	0.8039412	0.9771936	-0.16204298	0.04480533	0.027353017	-0.41105372	0.1263802	0.50033677	-0.1932615	-0.5259053	0.5541163	-0.17657113	-0.31347698	0.30194756	0.61213195	-0.9518378	-0.058214173	0.8106308	0.6770634	0.6360117	0.066052794	0.07832331	0.47294554	-0.99989045	-0.6138892	-0.14633723	-0.24542552	-0.44852152	0.7811705	0.12093724	-0.027939962	-0.12257569	-0.27593473	-0.28887874	0.34209865	-0.19600476	0.033257186	-0.08530633	0.6790625	0.32350218	0.760168	-0.31784028	0.46892345	-0.19794196	0.33252442	-0.15440993	0.01874049	-0.4309925	0.95188046	0.6687947	-0.025406994	0.2033781	-0.7025126	-0.32585526	-0.16054787	0.03883254	0.41593087	0.17763399	0.032201443	0.5514861	0.786809	0.09437576	0.99792004	0.09443736	0.03823552	0.2435147	0.5072004	-0.39803186	-0.17342794	-0.04700391	-0.13805348	-0.17493485	0.047840275	0.999756	-0.0954342	-0.36911476	0.29076704	0.39948148	0.08559645	-0.7492962	0.47740406	0.46677333	-0.29514644	0.22480844	0.9992403	0.32137868	0.99607354	0.13245697	-0.54767656	0.49553958	-0.09274344	-0.3716201	0.99027705	-0.031801395	0.15415503	-0.73561144	0.57016695	0.68638355	-0.077677816	-0.3768901	0.027022367	0.9984354	-0.5501443	-0.78179526	-0.9851223	-0.14750881	0.15735646	0.370252	0.029543566	-0.02667393	0.62441087	-0.2032292	-0.036965787	0.13014212	-0.19383867	-0.09842307	-0.37546548	-0.306949	-0.32883468	-0.9707336	-0.28055483	0.031286627	-0.21700534	-0.5033872	-0.75140333	0.44338703	0.18481687	0.26768374	-0.83901805	-0.08844836	-0.37969545	0.14807843	-0.644085	0.20669822	-0.2974014	0.3734571	-0.57302725	0.40558416	-0.13897167	-0.7616641	0.13809037	-0.5203296	-0.13238825	-0.6425611	-0.077092886	-0.5196861	0.36585626	0.3341946	0.31169602	0.34714	-0.035882134	-0.04133538	-0.003180866	-0.908184	0.077584244	0.22894384	0.33364263	-0.12513843	-0.21623184	-0.60691	0.12855873	0.42352003	0.099712916	-0.28165123	-0.13846824	0.1959767	-0.26461872	-0.85916436	0.99000823	0.28992206	0.23779112	-0.62840104	-0.48551744	0.24217522	-0.4013342	0.063537516	-0.35153374	0.09809141	0.06129219	-0.19824001	0.2975121	0.5218681	-0.18456833	-0.15879908	0.88557744	0.29989547	-0.10727788	-0.50944793	-0.8440537	-0.07308213	0.1042411	0.22575676	0.53444135	-0.26832122	-0.04043236	-0.99976856	0.037862767	0.6245375	-0.06433313	-0.0345433	-0.20094757	-0.41127342	0.08883695	-0.5294828	-0.30393824	0.4826241	-0.53535014	-0.27688667	0.1519612	0.29014963	0.019611353	-0.068434656	-0.27438536	0.35034972	-0.38397676	0.72774345	-0.44743007	0.4453493	-0.4911627	-0.20484863	-0.31418872	-0.60910225	0.2843238	-0.17655706	0.08717695	0.99932456	-0.5057956	0.69017595	0.4963131	0.4737939	-0.23836373	0.42499658	0.65601146	-0.1734592	-0.30490312	0.99913573	-0.31658566	0.68779266	-0.10860781	-0.08186922	-0.9970074	-0.9885651	0.6041447	0.24219325	-0.4802531	-0.24590003	-0.20501974	-0.53998053	0.07690039	-0.76410025	0.99616593	0.28627023	-0.08178049	-0.21969782	0.12793817	-0.325313	0.14239852	-0.18729839	0.9238366	0.36157256	0.3303537	0.39925587	-0.9784176	0.29383793	-0.17016062	0.2144369	-0.27736974	-0.45449683	-0.19543041	0.16231163	0.39696977	-0.92878556	-0.09943504	0.48816612	0.005852997	-0.08137107	0.41782683	-0.31696284	-0.3601485	0.60602057	-0.5823853	0.14642869	0.0000541	-0.309923	0.24958345	-0.09147798	0.64701617	0.5438922	0.18058938	-0.33747438	-0.41590238	-0.052630067	0.5055118	0.9659044	-0.9954071	-0.16529836	-0.70891994	-0.5699814	-0.25044635	0.28841928	0.65610904	0.997143	0.052531514	-0.37655586	-0.065939315	-0.22494692	-0.55289847	0.459457	-0.68042135	0.40070134	-0.012821205	-0.19337562	0.058660325	0.503194	-0.33052963	-0.048110016	-0.16689043	0.9528277	-0.19356899	1	0.14839229	-0.15889269	-0.148718	-0.65136755	-0.85984194	0.5546916	0.5996496	-0.32943887	0.287345	-0.27316487	0.04268224	-0.24896298	-0.2982085	-0.3973386	-0.45366868	-0.36957708	-0.59164506	-0.31133255	0.31129313	-0.8620255	0.25592265	-0.010871186	0.017974734	0.07895464	-0.9609167	-0.02795664	-0.5870726	-0.20496695	0.06916736	0.034375362	-0.5083663	-0.7250408	-0.69820315	-0.1319969	0.59194493	-0.046460558	0.17271203	-0.28572932	-0.23603219	-0.74727863	0.9998405	0.11992456	-0.8080517	-0.51319706	0.99749994	-0.055029433	0.18967828	-0.99817175	0.46457148	0.31440833	-0.7798678	-0.20055865	-0.7431408	-0.020277787	0.16847497	-0.4683696	-0.18420719	-0.1125856	-0.289593	0.08549244	0.056682352	0.25133768	-0.9997966	-1	-0.99017113	-0.24330229	0.3979088	0.7440974	0.25423387	-0.62652975	0.5880645	0.26039958	0.04718263	-0.102097385	-0.36275688	-0.4303619	0.12156484	0.20654221	0.29228917	0.1630612	0.60175306	-0.98522764	-0.9997735	-0.45192108	-0.09275874	0.08630656	-0.11039004	0.45278686	-0.9915539	0.019730315	-0.536523	-0.3202171	0.50504726	0.45602402	0.072072744	-0.9125702	0.07814264	0.48634547	0.7227012	0.6762722	-0.008885745	-0.68420374	0.4524266	0.18967028	-0.24292451	-0.039229177	-0.3707365	0.5291634	-0.5528749	0.3870502	-0.13536559	-0.57044774	0.5751767	-0.31164238	0.113644235	-0.31903166	-0.29590902	-0.92200774	0.55981004	0.26923573	0.6085095	0.074336454	0.22675157	0.9995506	-0.43045497	-0.20427455	0.76689595	0.41148013	-0.12329554	-0.39632225	0.11502475	0.46441397	0.071538255	-0.32687232	0.7362732	0.107579686
242	1	Nc1nc(Cl)nc2c1ncn2C1CC(O)C(CO)O1	0.26323393	-0.21238557	-0.32883188	-0.4285772	0.05286027	0.28654718	-0.2646898	-0.35584357	0.2530198	-0.75671035	0.30813757	0.098975435	0.67656666	0.43850112	0.69528747	0.18114536	-0.33322325	0.34862816	0.40569377	-0.45284083	0.43889913	0.4552336	0.08585456	0.6966206	-0.41452506	0.10627678	0.21207389	0.2686294	0.4352333	0.63502824	-0.05230324	0.0813072	-0.32269955	0.17576802	0.38586906	-0.3623991	0.5812417	-0.27031448	0.9935753	-0.54421586	0.7057307	-0.105807066	-0.08413692	-0.4773537	-0.11472033	-0.8649449	-0.13394521	0.6743445	-0.57065237	-0.1832316	-0.5086804	-0.19447613	0.080577664	0.10079037	-0.34274256	0.0897318	-0.24847871	0.18289854	-0.38623977	0.3810885	-0.5590732	0.6097781	-0.7831918	0.13191344	0.12575616	-0.3550188	0.008286234	-0.74065137	0.079390615	-0.29250214	-0.9914422	-0.99976456	0.36662218	-0.5466917	-0.14979811	0.6730423	0.2745226	-0.07334237	-0.105852485	-0.99927485	-0.6078449	0.048967294	-0.95621634	-0.69067717	-0.121773385	0.5546876	0.32641676	0.034682866	-0.74279654	-0.31979775	0.4828651	0.11375117	0.045204397	0.5293473	0.9998344	-0.45652044	-0.91097474	0.09390577	-0.59356797	-0.28313154	-0.33263785	0.13671574	-0.31745556	0.75098175	-0.9205095	-0.98277086	-0.5554629	0.35716102	-0.999987	-0.03521952	-0.70032406	-0.531746	-0.58339	0.5634467	0.8294342	-0.43575478	0.71946794	0.09047805	0.9977823	-0.17820208	-0.42370492	0.3830933	0.5953599	0.22549216	0.24383788	-0.1624938	-0.5687211	0.20706727	-0.60925263	0.91452414	-0.57094914	-0.76915115	-0.15505919	0.11957145	0.062358435	0.8706783	-0.8446891	-0.21279778	0.37609813	-0.36356747	-0.99999875	0.15390915	0.20442544	-0.32472518	0.25009444	-0.30041233	0.43945888	0.08320817	-0.28231218	0.021976138	0.16907567	-0.33830583	-0.79285777	-0.26708296	-0.85852605	0.1257121	-0.08570163	0.8356872	-0.026968345	-0.5653175	-0.94924915	0.60286623	-0.14927635	-0.7193647	-0.3786723	-0.019135954	-0.7215048	-0.60909647	-0.0914867	-0.21300569	-0.09495472	0.5508022	0.41547826	0.18639895	0.18044011	0.90688425	0.39786765	0.8365372	-0.5908564	0.29087254	0.28501868	-0.9909352	-0.013140685	0.5095533	0.7861532	0.18437006	0.1292209	0.22380672	0.30360168	0.28760508	0.9457153	0.41894805	-0.26911885	-0.16998567	0.06325895	-0.30384392	0.57598966	0.6805509	-0.5386535	-0.33235723	0.23703901	0.3249095	0.27133664	-0.82707655	0.25454158	0.059297077	0.57439595	0.24709538	0.6561352	-0.9996807	0.014331078	-0.48807815	-0.17693223	0.33759865	0.26465088	-0.33245176	0.3448047	0.4939279	-0.5950513	0.47884437	0.13422719	-0.53741485	0.8889812	0.16966714	0.9999999	0.45491534	0.1904934	0.003333314	0.5345857	0.29473993	-0.6233521	0.37561297	-0.58597904	0.047844283	-0.094937265	-0.15883562	-0.5754847	-0.027610261	-0.10635225	-0.040647157	0.91958237	0.4953442	-0.5051625	0.03822638	-0.6531308	0.26562855	0.2337132	0.5675578	0.23378216	-0.4081726	-0.46700656	-0.76219124	0.2912866	0.19116017	-0.3924891	0.09575049	0.03579022	0.1072879	-0.4489794	0.60668236	-0.28795266	0.15819837	0.1082662	0.1707536	0.051765773	0.49417156	-0.49533153	0.19729927	-0.958157	0.45278907	0.60936207	0.9953817	-0.36362052	0.075670436	0.5498692	0.86937654	0.76329035	0.5010839	0.36589864	0.32739243	0.8043626	0.9984751	-0.2408843	0.68390435	-0.26119128	0.039771307	0.06866104	-0.9614948	-0.9949086	0.34137958	0.65155834	0.9904141	-0.113597855	0.4865257	0.013036261	0.44262835	0.9999995	0.29473415	0.11193651	-0.17241988	-0.14649606	-0.29909545	-0.3733136	0.053274624	0.86565655	0.778934	-0.3339875	0.61792725	-0.22805716	0.26009005	0.2502599	-0.78967464	0.547089	-0.3325027	-0.42423394	0.35762817	0.3568808	-0.3750579	0.9996834	0.52824855	0.3307493	-0.080746084	-0.13583909	-0.3623496	0.021832233	-0.25690827	-0.2417091	0.95953083	0.32739893	-0.1151881	-0.077046566	0.0788101	-0.6281081	0.34666058	-0.62090075	-0.9705861	0.44050863	-0.22049738	-0.0856157	-0.05530042	-0.08603678	-0.6601518	0.373636	-0.15750593	0.085764	0.25686002	0.65285695	0.41852176	0.032170825	-0.25114167	-0.9298066	-0.6680641	0.665828	-0.27514613	0.35619068	0.33447745	0.42638978	0.9994344	0.019490032	0.9494723	-0.43146405	0.063957736	0.80236626	0.74251735	0.798864	-0.7716155	0.042581532	0.42590544	0.48412845	0.054969307	0.012276215	0.1976227	0.25469446	-0.8165666	0.005318392	-0.98844045	0.40994406	-0.6798235	-0.27451032	-0.4899691	0.15491901	-0.36999217	-0.2035703	0.12647782	0.12250109	-0.17350605	-0.45918754	-0.7250791	-0.42253256	-0.013139008	-0.18035121	0.07231645	0.20491198	0.17807755	0.16672346	-0.17394188	0.26285	0.7963318	0.47484344	0.61522454	0.964226	0.43266806	0.34346673	0.014950465	0.23684844	0.25409156	0.5345232	-0.42169738	-0.74630564	0.45728326	-0.17229639	0.39036262	0.5015277	-0.02343011	0.6805383	0.53863573	-0.88678133	-0.15747586	-0.95435137	-0.40358502	0.99717724	-0.3501157	0.1669459	-0.75116676	-0.588921	-0.11745368	-0.21086903	-0.3569183	-0.36308727	-0.16638155	-0.40960184	0.8980827	-0.2578417	-0.35690013	-0.6312962	-0.32158932	0.18743421	-0.029539322	-0.99997514	0.9999998	-0.9110477	0.35216135	0.3716869	0.7352199	0.01431669	-0.030608835	-0.37070552	0.32095146	-0.021376614	-0.067097984	0.26176777	-0.08286422	0.14266987	-0.37547556	0.36027208	-0.6971398	0.38190007	-0.5375457	-0.9998978	-0.2670858	-0.3398207	-0.2426578	-0.19709198	-0.2307799	0.91319424	0.87751	-0.66140366	-0.8644679	0.22753204	0.11479516	-0.5773642	0.9626961	0.5956442	0.86033297	-0.039797023	-0.086962394	-0.08092644	-0.1834658	-0.43936786	0.64767563	-0.39741004	0.9450073	-0.7065148	0.34136286	-0.11426099	-0.4477167	0.38054416	0.31529552	-0.46931192	-0.45416299	-0.9278155	0.023960004	-0.13535208	0.9513376	0.08379571	-0.6433107	0.3718133	0.16473983	0.08872578	0.9999929	0.113392286	0.17941257	0.49084657	0.48499563	0.66504025	0.7867323	-0.9917141	0.407739	-0.892973	-0.8326053	-0.7577797	0.5240072
243	0	C#CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1	0.5215743	0.2464212	-0.53459555	-0.12009249	0.17259426	-0.6968714	-0.73838437	-0.42014205	-0.6084357	0.20030363	0.5878478	-0.33105972	0.30407605	-0.04213119	0.2572752	-0.56113183	-0.16677587	0.18209714	0.35642958	-0.42054725	0.38583553	-0.36484587	-0.18287078	-0.4051205	-0.6175373	0.26637933	-0.35603946	-0.2971158	0.19218178	0.39591944	0.18200198	0.0481497	0.59227395	-0.5044158	0.3184486	-0.2159513	-0.27056718	0.5296688	0.9984596	-0.60927224	-0.73331314	-0.27088943	0.29890814	0.62841487	0.26339802	-0.15826082	-0.37581775	-0.031617276	0.9399722	-0.31467795	0.90160084	0.19668737	-0.677877	0.22249596	0.01700282	0.04876179	0.08093239	-0.26578233	0.23136947	-0.4024797	0.15359409	-0.14478329	-0.13252635	-0.24036519	-0.53720134	0.39228737	0.32029134	0.21732469	-0.2053412	0.005681237	-0.6669247	-0.9345503	-0.09881134	-0.55619866	0.349214	0.100668184	-0.1291051	-0.11421265	0.18613683	-0.9997997	0.663584	0.11614857	-0.9227026	-0.46220654	-0.51900566	-0.8004141	0.27278733	0.31090614	-0.25329483	-0.54867655	-0.38671368	0.38525403	-0.47272086	0.57145643	0.99943805	0.05440097	0.21424243	-0.88099307	0.20900707	-0.29051128	0.384641	-0.008213696	0.05349261	0.9767674	-0.9927569	-0.9464345	0.42565554	0.7590257	0.96947867	0.505457	0.33568168	-0.5086592	0.32428056	0.52313405	0.28743505	0.7703714	0.6406264	0.49128005	0.98334116	0.15359455	-0.14037347	0.3628958	0.35276815	0.00055998	-0.29890513	0.31348863	-0.2622339	-0.68371487	0.44548276	0.999142	0.36362258	-0.48667565	0.28745908	0.47992465	-0.23504925	-0.99723977	-0.7888627	0.044028893	-0.17881289	-0.44307926	-0.99990445	0.41892087	0.6773861	0.33016765	0.2967288	0.45996827	-0.5344872	-0.4905416	-0.9377621	0.15109612	0.6308801	-0.83523756	0.12533034	0.5097862	0.14627296	0.6239919	0.48187682	0.28326014	-0.43580547	-0.95805657	-0.7867768	-0.56969357	-0.3550774	0.6805457	-0.06857815	0.25244686	-0.20645832	0.5987802	-0.2860556	0.5617063	0.46884835	0.24582595	0.11205463	-0.15057461	0.33101848	-0.78920937	-0.44249785	0.11336027	-0.5715957	-0.028155092	0.5346956	-0.89351416	-0.004667587	0.076997146	0.34011355	-0.4085933	0.7746218	-0.003135645	0.11138726	-0.63052356	-0.33593553	-0.6820022	-0.47740814	-0.248	0.65945816	-0.1364288	-0.35737643	-0.882906	0.11180909	-0.14935929	0.096090086	-0.41718784	-0.39746514	0.26123896	0.5215939	-0.7077574	0.13908982	-0.45930725	-0.4463502	-0.999892	-0.259815	0.46649402	-0.21912298	0.19462664	0.10929546	0.5835382	0.55217826	-0.36586827	0.5039198	-0.19681686	0.15682897	0.09912952	0.48103562	0.49955532	-0.9897373	0.1215731	0.101328015	0.18542217	-0.000515124	0.40855435	0.18527083	-0.35891062	-0.026319776	0.06598781	0.7011328	0.13348429	-0.3088553	-0.19160555	0.8869126	0.12758704	0.8729071	0.30274582	0.17075084	-0.29659528	0.76308864	0.03660927	0.89692205	0.5534883	0.30759546	0.10102018	0.35327175	-0.9626346	-0.32611758	0.645018	-0.4206093	0.34824878	0.2810547	0.10195792	-0.45350072	-0.12515812	-0.19701263	-0.7737444	-0.2738159	-0.6378875	0.16985486	0.09100631	-0.3033905	0.20576236	0.95624053	-0.17609699	0.5255346	0.99829686	-0.025496215	-0.27747294	-0.6744945	-0.6254527	-0.36080518	-0.5555504	0.056973632	-0.10125568	-0.37784022	0.9966794	-0.48328674	0.030507972	-0.60714155	-0.15101528	0.5647505	0.758455	0.8216075	0.53966874	0.07538236	0.9290908	-0.65848446	0.171357	0.12038811	-0.10821398	0.9999405	-0.9574333	0.6846744	0.03450448	0.08673926	-0.46069944	-0.36889544	-0.1779999	-0.08491998	-0.3258829	-0.95898515	-0.5291223	0.74769586	0.3503932	-0.4258119	0.7523684	-0.24771217	-0.34614614	0.15787545	0.21004757	-0.575655	0.3779572	-0.99991214	0.09038238	-0.21996073	-0.1492575	-0.1824647	-0.44067848	0.44228482	0.5859597	-0.003703788	-0.5065981	-0.27537552	-0.18298696	-0.24070874	-0.47346708	-0.6111134	0.57137525	-0.03871517	0.002200805	0.58930826	0.18321508	0.48058844	-0.03017256	0.37046304	-0.292169	-0.108076245	0.51803505	-0.024871536	-0.09053503	-0.09701819	0.66547894	-0.30531573	-0.7135764	-0.92888045	0.5699291	0.7335404	-0.53250754	0.19414394	0.042589013	-0.093246005	0.99964404	0.6360116	-0.098920085	-0.20850317	0.839233	0.5633642	-0.72044396	-0.82346314	-0.41993755	-0.4069657	-0.4282298	0.66212064	0.19806191	-0.36658072	0.4670698	-0.24037366	-0.4067622	-0.08824579	0.9888082	0.28494126	-0.34887865	0.66959184	-0.2714318	-0.045989756	-0.7594182	-0.2903286	0.08431969	0.22535838	-0.60953254	0.14423299	-0.021632353	0.091252655	0.36472487	0.30003706	0.44567168	0.21288146	-0.33790472	0.29907283	-0.38462803	0.10032178	0.23349647	-0.6560152	-0.22440602	0.8338367	-0.04739228	0.1577322	0.302422	0.17707051	-0.4622889	-0.36360827	-0.4329761	0.30833584	0.34809312	-0.6679527	-0.24728344	0.64202666	-0.08852408	0.66948485	0.09412693	0.99999976	-0.24192831	-0.8601808	0.16031168	0.999684	-0.4854588	0.2605264	-0.9999165	0.30018088	-0.937473	0.35129076	-0.44173792	0.65509653	-0.10128226	-0.005054762	-0.10306415	0.2529429	0.5719899	0.23992272	-0.21687648	-0.20667621	-0.38194647	-0.99996847	0.9982152	-0.13761865	0.09451843	-0.17996067	-0.6296475	-0.44618702	-0.15364552	0.11375232	-0.5392174	-0.33264887	0.76529497	-0.69347143	-0.09157397	-0.05465808	0.2653076	0.3464025	0.4891172	-0.003819052	0.6006785	-0.9996938	0.5588346	-0.33886206	-0.052232325	0.49430296	0.40368018	-0.7371028	0.7085985	0.57669044	0.5150583	0.4412805	-0.47784656	0.3058165	0.95432234	-0.24142787	0.584336	0.10251292	0.2649182	-0.34655097	0.4576899	-0.7094836	-0.5487654	0.17181419	0.0699846	-0.8404071	-0.55684507	0.086369745	-0.22266187	0.24360631	-0.62559223	0.42572567	0.62536865	-0.71412647	0.3186501	-0.25014064	0.99591386	-0.18908721	-0.10684249	0.14095151	0.40023908	-0.48537052	0.99999624	0.30161712	0.3299271	-0.64409226	0.033998277	-0.26067126	0.066064596	-0.9960745	0.55584806	0.35671076	0.13202219	-0.3873773	-0.27792844
244	1	Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1	-0.6437533	-0.26975405	0.22782922	0.6485615	0.08209433	-0.15668014	-0.23177403	-0.30465814	0.4667538	-0.7757755	-0.43509895	-0.056890998	0.5466787	-0.36706886	-0.1575277	0.006193023	0.22431691	0.38039517	-0.49367666	-0.49177736	0.48284015	-0.2971517	0.05473719	0.20961621	0.03870094	-0.30878785	0.5442618	0.2572505	-0.11238334	-0.7755226	-0.49531126	-0.073320575	-0.39437246	-0.3610924	0.08734587	0.23158996	0.16004822	0.47800502	0.9907242	-0.92482644	-0.9858392	0.40116948	-0.4952633	-0.100882255	0.45416656	-0.8524227	-0.06562649	-0.23534332	0.7391131	-0.5366365	0.043310408	0.37607968	0.09699224	-0.38376608	-0.6752531	0.2612934	-0.5713646	0.3098029	-0.04429143	0.110224426	0.1348498	-0.003072488	0.28717494	-0.24288386	-0.055022005	0.22064157	-0.001589755	-0.40630263	0.14505172	0.04729145	-0.6062408	-0.82690716	0.5607913	-0.8680815	0.29881653	-0.68511474	-0.14631347	0.28936642	0.7052216	-0.99716765	0.4464224	0.107023805	-0.8902869	-0.09420044	0.73353565	-0.8819211	-0.11732884	-0.51102704	-0.38370478	0.6256505	-0.032750193	0.13481967	0.13876694	0.1808375	0.96847326	-0.17039908	0.5940942	-0.14061746	0.7840383	-0.68578637	0.36087653	-0.6613029	0.3497714	0.9442874	-0.89646566	-0.9521202	-0.023834521	0.024634106	0.9883081	-0.068876825	-0.38967305	-0.19468927	-0.56498796	0.1574633	0.22334582	-0.49774793	0.71377087	0.07534726	0.99537617	-0.6396165	-0.01847052	0.07783204	0.12366941	0.36397606	-0.3884204	-0.07126448	-0.39831996	0.17150201	0.013341033	0.9997411	0.1195249	-0.31176805	0.19274299	-0.16750924	0.41097108	-0.9284983	-0.3378648	0.49498907	-0.19887587	-0.15907599	-0.999989	-0.11623851	0.9179378	-0.23347166	0.25014672	0.21263973	0.28404668	-0.086368375	-0.08221618	0.43008876	-0.038811836	-0.75875306	-0.49099925	0.43612114	0.000736638	0.34661156	-0.27940935	0.90098715	0.06472919	-0.91647255	-0.9251398	-0.25086918	0.12160751	0.040593363	0.50710535	0.47140583	-0.6088884	-0.016247606	-0.38454157	0.5867001	-0.2648217	-0.49276432	0.17195539	0.55174917	0.45661154	0.18882109	-0.8140948	0.1242823	-0.70086384	0.3142916	0.33042315	-0.4785764	-0.35265574	-0.10690751	-0.7732821	0.28047788	0.51626396	0.376572	-0.14540884	0.3685349	0.43718076	0.38927874	-0.5694097	0.22329898	-0.08553616	0.53122866	0.34187582	-0.57697815	0.56964046	0.4488048	0.36999023	-0.26593697	-0.19250154	0.082513824	0.6469539	0.12957469	0.78862554	-0.78368324	0.14507315	-0.99920106	-0.6896019	0.113884896	0.45173335	0.22177827	-0.00993529	-0.51555395	0.03848473	0.12708695	0.39591035	-0.16236363	0.38880926	0.14779548	0.89505637	-0.3144731	-0.9725616	-0.08186806	0.29122806	0.47497582	0.07789659	0.57274187	-0.7062697	0.01707891	-0.296401	-0.58730924	0.20780264	-0.20070863	0.14133248	-0.7172606	-0.2585209	0.0556399	0.8628913	-0.69935006	-0.23857272	-0.15546434	0.5629137	-0.24694541	-0.22150691	0.7076334	0.34833238	0.124874465	0.1216006	-0.76985705	-0.85612136	0.62614954	-0.40190822	0.09920451	0.2542297	0.04533576	0.21575801	-0.3330629	0.5413992	-0.40569198	0.06303701	-0.31699395	-0.19155358	0.591635	-0.22505215	-0.07559397	0.61043954	0.07487706	0.29675916	0.8793183	-0.74285847	-0.15871853	0.48975447	0.70127356	-0.058086228	-0.32944956	0.31596723	0.6159711	0.31750232	0.99872863	-0.13141659	0.71251744	0.41075635	-0.45697445	-0.75108135	0.45693254	0.91810393	0.1881708	-0.28494248	0.9905204	0.18497063	0.12284897	-0.4129024	0.59008324	0.9999967	-0.98864967	0.48291293	0.013573672	0.34275612	-0.6228647	-0.52683985	0.31515667	0.91247857	0.7225117	-0.35220736	0.06647937	0.35895482	-0.10875124	-0.22579527	-0.6618301	-0.03879654	-0.046340153	0.78362566	-0.53435796	-0.056198295	0.27357656	-0.99983674	0.70223033	-0.25594413	-0.043016873	0.08703553	-0.6617682	-0.64570105	-0.26891938	0.7015053	-0.8347799	-0.3418801	-0.23764111	0.47953287	-0.01108177	-0.28180322	-0.5349324	0.5938364	0.5785713	0.18395671	-0.15397123	0.040042084	0.62406623	0.1250013	-0.44045496	0.081487425	0.40413696	0.15012303	0.3441327	0.027340243	-0.024750706	-0.5165176	0.1090452	-0.9839974	0.114536725	-0.42981347	-0.33888853	0.3774195	-0.652827	-0.32220066	0.9986621	0.32340866	0.09771352	0.39411244	-0.58312213	0.5273708	-0.3756571	-0.7774107	-0.47519496	-0.033319972	-0.38478115	-0.16941297	0.1805063	-0.35526276	-0.2716438	0.4104983	0.019145658	-0.274813	-0.99316376	0.14766699	0.2900668	0.15097012	-0.22188067	-0.37232295	-0.18609652	0.047309216	-0.49682084	-0.5577372	-0.27161196	-0.35773718	0.4396676	-0.6061129	0.7362679	-0.020264141	-0.46369871	0.43141064	0.41306648	0.4035863	0.20805834	0.15888003	-0.32298392	0.4277161	-0.4849029	0.36211056	0.61784506	-0.45098653	-0.45224908	0.77755165	-0.5808599	-0.48261762	0.8946476	0.0690147	0.34551212	0.80770415	0.37399417	-0.37488607	-0.052288234	-0.17595997	-0.20089832	0.9999995	0.20795031	-0.9900571	0.52815616	0.99292624	-0.47250262	0.24561287	-0.99989176	-0.030184079	-0.51565725	0.764476	-0.009673658	-0.045351867	0.59952444	0.54460496	-0.18945986	-0.5981867	0.20797692	0.12950826	-0.26836303	0.15329859	-0.17576493	-0.99998444	0.9999999	-0.8073969	0.87293166	-0.42753744	0.058491036	0.28700316	-0.23599823	-0.8412902	-0.144454	-0.45446432	-0.29676402	-0.41801968	-0.3490966	0.25674656	-0.17806211	0.12595206	0.14786616	-0.68458086	-0.3729625	-0.99987954	0.5565417	0.10072868	-0.5553322	-0.38956946	0.41373193	-0.91044486	0.55321586	-0.21837448	-0.14126688	0.013649792	-0.28801557	-0.2985787	0.98306704	-0.298751	0.6330375	0.29844055	-0.04841366	-0.0823039	0.030048087	-0.23277867	0.026911458	-0.037227333	-0.49230552	0.4005996	-0.547973	0.34593663	0.029039249	0.019475197	-0.41028255	-0.6777504	0.84708554	0.057117663	-0.39073873	-0.1173581	0.959019	0.23029898	0.18380238	0.43204877	-0.32294983	-0.2220278	0.99944896	0.60501105	-0.08356357	0.8930339	-0.09028691	0.5810419	-0.6585133	-0.9547986	-0.4639697	-0.06071809	-0.3829221	-0.5133505	-0.4356306
245	0	CC1(C)CON(Cc2ccccc2Cl)C1=O	-0.47615525	-0.18999156	0.4540422	-0.006828582	0.15491654	-0.6866837	-0.32112023	-0.43447286	0.25869852	-0.21518551	-0.29321334	-0.24534546	0.59360707	-0.106126405	-0.17045332	-0.27021986	0.014257782	-0.8735758	0.13165125	-0.07673195	0.627488	-0.38087386	-0.3078055	-0.006747619	0.3821416	-0.3577708	0.02954803	0.2854599	0.33897573	0.15259387	-0.06775394	-0.21316993	0.5944978	0.08530945	-0.31715912	0.07492212	-0.031445052	0.22144206	0.8908337	-0.7466825	-0.99252135	0.6287413	-0.45668086	0.70110565	-0.2928087	-0.9831729	-0.66339374	0.24573618	0.76604146	0.13234459	0.13250236	0.21987113	-0.44904736	-0.3516031	-0.46702325	-0.40851903	-0.08668928	0.8010475	0.046219237	0.09164602	0.13471168	0.14623731	0.4787532	0.20564096	-0.3471295	-0.30178967	0.24707277	0.12723468	0.14134836	-0.38476202	-0.7224392	-0.98548865	-0.5176369	0.41734484	0.29985046	0.114803754	0.065683424	0.47507036	-0.20462394	-0.9990871	-0.09570295	0.21444745	-0.8352333	0.16704993	0.40462074	-0.2296378	0.4289554	-0.31806594	0.12426107	0.6103538	-0.3045272	0.24052934	0.48142746	-0.21033984	0.99338543	-0.19597065	0.30837688	0.5359461	0.1564995	-0.28201494	0.15407845	-0.37694192	-0.26376885	0.7928015	0.12844865	-0.1387124	0.3771936	-0.110827796	0.9685181	-0.57737136	0.27910766	0.62002647	0.12891193	-0.29144105	0.34511423	0.004500465	0.56578565	-0.20185417	0.9987725	-0.4944681	0.60621274	-0.43144837	-0.355881	-0.29765317	-0.004261229	-0.28669843	-0.105814405	-0.7382871	0.32305828	0.99888647	-0.07168714	0.024344683	0.1988892	-0.2897382	0.28976607	-0.9869448	0.2190655	0.5558649	-0.17176305	-0.732854	-0.9999586	0.20880179	0.981529	0.42338705	-0.20338248	0.55287033	0.14113474	-0.75058883	0.91954106	0.53181094	-0.000538923	-0.22961226	-0.08371559	0.43956566	0.084297836	-0.015070215	-0.23725851	0.9926159	-0.3407725	-0.7231258	-0.98167384	-0.3309848	0.31080276	-0.21285531	0.6205166	-0.08759381	0.1464054	0.66131556	-0.019002954	0.60440004	-0.34654897	-0.1718518	-0.47965485	-0.02624612	0.17491998	-0.9394476	-0.13720451	0.5974611	-0.31842488	-0.6528296	0.30752465	-0.6541086	0.028169215	-0.4902804	-0.6862381	-0.002547748	0.46901396	-0.4788079	0.075215444	-0.029429255	-0.39509392	0.082585104	0.44458967	0.19549128	-0.3250698	-0.008285716	0.47199288	-0.76542735	0.2183087	0.13559806	-0.35569775	0.06354125	0.266623	-0.29745534	0.18354236	-0.46546122	0.5212759	-0.07811122	0.38556746	-0.99784803	-0.20041864	-0.24777101	-0.07512489	-0.46747395	0.7028879	-0.001812944	0.3457115	-0.29938895	-0.2992239	-0.35293102	-0.20693263	0.18888824	0.03921806	-0.10570145	-0.9556128	0.23117487	-0.2786222	0.6426725	0.26983333	0.1270407	-0.68858945	-0.009362576	0.3039046	-0.38826904	0.20184943	-0.27922043	0.25005245	0.06486645	-0.17657222	-0.29032406	0.84201044	0.24035469	-0.09006763	-0.57298476	0.3296335	0.26360568	0.15918085	-0.4086129	-0.026712818	0.29575822	0.2979764	-0.96934944	0.18552195	0.22073245	0.4384194	0.1618042	-0.051999208	0.1922258	-0.2328831	0.14870313	0.09752984	0.37431663	-0.07714091	-0.27932	0.40981603	0.10558368	-0.25447017	-0.06728884	0.5563755	0.33860967	-0.14887212	0.93073756	0.07074766	0.30548957	-0.6787231	0.678989	-0.3288214	-0.7455629	-0.91039973	-0.54650766	0.6171899	0.9995781	0.57419467	-0.26482853	-0.032054592	-0.6187177	0.03545075	0.709548	0.96974397	0.10081182	-0.7698654	0.99862456	0.7215671	0.25589085	-0.40812853	-0.23562232	0.9999908	-0.9352429	0.21441224	0.4483511	0.30185354	-0.14653069	0.5474054	-0.40316606	-0.36444286	0.43309617	0.8755189	0.018885491	0.57791173	-0.22283559	-0.09813904	-0.2722846	0.10519656	0.027599588	0.634672	-0.2667132	0.4733876	0.06344347	-0.99996454	0.53909224	0.16149421	-0.43044156	0.025840577	-0.13751346	-0.15983245	0.20003693	-0.63861644	-0.67753214	0.23528408	-0.19786258	-0.07683466	-0.2410047	0.17601806	0.40162095	0.88162225	-0.34882647	-0.5985901	0.6521545	-0.26002398	0.08302522	-0.31553042	-0.5379417	-0.14021803	0.6812632	-0.38735282	0.4959116	-0.33263472	0.30644366	-0.2685769	0.65355784	-0.992117	0.37438104	0.6322069	0.21109423	0.3868627	-0.35854405	-0.18448085	0.99950963	-0.67431957	-0.30099532	-0.21881072	0.007760759	0.23243755	0.30115393	-0.6931042	0.7817233	0.34012488	-0.38137352	-0.2671698	-0.27945074	0.1784995	-0.037082765	-0.17094234	0.5919352	-0.4977201	0.9973624	0.14041261	-0.5097386	-0.08959426	-0.07762748	-0.597525	-0.5863018	0.5837915	0.4883877	0.0981334	-0.44256914	0.35621196	0.82268965	0.190413	-0.5656956	0.014854829	-0.508696	-0.07800701	0.49783173	0.46642444	0.2623932	0.003764909	0.04252361	0.35153395	-0.30997998	-0.5847882	0.09965518	0.24535824	0.22610237	0.24082525	-0.45004734	-0.9224436	-0.45517805	-0.010618956	0.13017227	-0.21047229	-0.009683176	-0.031510286	0.39612392	-0.12273863	0.06370561	0.9999998	-0.33445638	-0.9481866	0.32599846	0.9997685	-0.09987322	-0.38325807	-0.9999507	-0.22538355	-0.061488375	-0.100402094	-0.42589864	0.6235769	-0.00896377	-0.011098651	0.448323	-0.44440392	-0.39771658	0.26095083	-0.24693227	0.37661728	0.014747626	-0.99998134	0.9957806	-0.96046376	0.26772946	-0.57697535	0.083913356	-0.52500737	-0.08285099	-0.4956362	-0.22718719	-0.012168521	0.46512714	-0.12322635	-0.8247997	-0.26008236	0.5526127	-0.09629652	-0.04471239	-0.21088623	-0.9064294	-0.99993235	0.023643294	-0.09490441	-0.33152264	-0.22029944	0.1742567	-0.95924175	-0.554132	0.24895935	0.28025845	0.14934205	-0.117263615	0.4642076	0.7484027	-0.012518419	0.8343695	0.046067376	0.28249443	-0.08942957	0.083281234	0.17878008	0.20635417	-0.34790495	-0.52858853	-0.015180976	0.70592463	-0.037505403	0.5026433	-0.011755453	-0.5565794	0.35234553	-0.29816034	0.40383956	0.46982214	-0.46007425	0.4162794	0.67586344	0.7810141	-0.20312916	-0.77905536	0.15862277	0.9998151	0.1971842	0.042358335	0.24473874	-0.51616365	-0.37490308	0.10111988	-0.8010096	-0.21101458	0.5315145	0.21157688	0.6429666	-0.04518759
246	1	CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1	-0.50564516	0.37936184	0.47324416	0.31041682	0.024862576	-0.7593118	0.3463916	-0.36254817	0.63320315	-0.13297324	-0.7754497	-0.53285706	0.22310677	-0.8316997	0.32516137	0.3729815	0.14777632	0.35337043	-0.031285774	0.44159216	-0.02249697	-0.030745242	0.595272	-0.788499	0.33842105	0.48671526	-0.50368094	0.16947842	0.20530878	-0.8255928	0.7911248	-0.5208664	-0.44370833	-0.13298568	-0.3665668	0.1286906	-0.60846734	0.914296	0.9997096	-0.8524645	-0.7943953	0.07245878	0.3628575	-0.29127884	0.026668197	0.6375503	-0.4495898	0.3881607	0.999014	-0.31316754	0.3879668	-0.3418699	0.49903873	0.18725947	-0.8497781	0.06385909	0.05688635	-0.78677946	0.17755628	0.3975741	0.21164554	-0.45076677	0.26586056	-0.28736255	-0.33566228	0.028397568	-0.20949744	0.262111	-0.2057237	-0.33950767	0.40351525	0.8130864	0.8459092	-0.25857833	0.89675057	-0.55807126	-0.22904982	-0.005800462	-0.2796999	-0.99558544	0.515511	0.72458655	-0.9105835	-0.0963882	0.8024943	-0.988908	-0.39033753	0.058018014	-0.73881173	0.5539242	0.70433265	-0.42890194	0.07493261	-0.4308912	0.7883222	-0.18866064	0.87702894	0.65174484	-0.4334928	-0.72504103	0.32223457	0.1613216	-0.5367563	0.97796404	-0.9995756	0.33324817	0.017974552	0.5965614	0.9738284	-0.45636982	0.75273085	0.09263284	0.50714546	-0.42292655	-0.63021266	0.65678245	-0.06457782	0.80345	0.80712	0.4961865	0.480041	0.2476653	0.08846733	-0.23723927	-0.16921927	0.4484206	-0.23678048	-0.10354317	-0.26185775	0.99999404	0.29194492	0.7472968	-0.28906167	-0.522558	0.1982778	-0.9924994	0.66553795	0.5930083	-0.56595546	-0.5461803	-0.99999756	0.31064346	0.9511604	-0.27102607	0.36060998	-0.3044187	-0.57177216	-0.15029989	-0.9979793	-0.28045365	0.088809974	-0.8630786	0.4190362	0.31521037	-0.15417789	0.12631986	0.59403604	-0.90148824	-0.8797045	-0.9547628	0.12605934	0.64203733	0.19446924	0.70555335	0.6533877	-0.6697973	0.4616395	0.25327247	-0.48121876	0.15033439	0.1828378	0.036734328	0.45944244	0.51629627	-0.34296238	-0.9144827	-0.54066354	0.15464918	-0.04996526	-0.42990837	0.45742553	0.85931927	-0.07142711	0.34397385	0.3495803	-0.21807559	-0.6381836	-0.06878841	0.005752714	0.6533147	-0.838736	0.25799844	-0.3097601	-0.18020834	0.21771975	0.029398117	-0.20402686	-0.8849035	0.91674834	0.53045964	0.3991399	-0.565394	0.5358554	-0.091317594	0.47212833	-0.62444806	0.15399875	-0.8686735	-0.17947313	-0.9999645	0.7013808	0.2966016	0.46964273	0.27625823	0.080795586	0.019324604	-0.15261434	0.6333041	0.63640904	-0.12866107	-0.1339585	0.47257388	-0.8628093	-0.5125354	-0.9902324	0.031924885	0.7057658	0.044108603	0.32614645	-0.48328942	-0.007231209	0.43784052	0.16661243	0.7276825	0.67566186	0.047493704	0.5748546	-0.30275103	-0.15787217	0.14317875	0.7823302	-0.21076961	0.38657287	-0.13898648	0.18277533	-0.71553355	-0.39145714	-0.6598647	0.1277852	-0.004949635	-0.21865745	-0.7648027	0.10384611	0.014930128	0.6007489	0.43376532	-0.41001216	-0.471231	0.41068518	-0.061637945	0.1387031	-0.58315516	-0.5228043	-0.43804651	-0.042256713	-0.5112331	-0.62237066	-0.13531558	0.9788313	0.7808768	-0.46743292	0.9981489	0.07440889	-0.19912066	-0.580587	-0.6939306	0.35163882	-0.6406984	-0.5211673	0.30997992	-0.43130443	0.98181736	-0.72444266	-0.646144	-0.06812144	0.15382925	0.057598077	0.9861092	0.8357473	-0.4835018	-0.10171038	-0.03678635	-0.22116031	0.53277	-0.2035135	-0.814206	0.99999565	-0.9997064	0.033773568	0.1507543	-0.09671988	-0.8219011	-0.4336111	-0.22133504	-0.4847382	-0.9353453	-0.99705523	0.3418726	0.9581189	-0.73518974	-0.59075546	0.51485866	0.26965877	-0.015831782	0.9544585	-0.77432686	0.32438022	0.16460848	-0.99996436	0.47924146	-0.53588873	0.110191934	0.10756333	-0.7326747	-0.59805083	-0.84324205	0.5244027	-0.971927	0.6870979	0.2972004	-0.5689549	-0.1341715	-0.17814349	0.09896202	0.001505677	0.9926425	-0.24417515	-0.32054624	-0.36353022	0.09590129	-0.11913899	-0.25556317	-0.027686331	0.29294443	0.54865825	-0.45811397	-0.071112126	0.7466804	-0.15841278	-0.93194413	-0.7857646	0.3479304	-0.37954384	0.44340166	0.68990797	-0.5884844	-0.250191	0.9998188	0.41083777	-0.050467093	0.38131288	-0.3274702	-0.4808054	0.009192144	-0.982788	-0.5278156	-0.48796794	-0.76149976	-0.47748357	0.3417265	-0.31837526	0.5392695	0.02636416	-0.44362935	0.75503445	-0.9837005	0.3426746	-0.32357928	-0.27994582	0.019276632	0.2180986	0.25688604	0.10902005	-0.24383457	0.17572986	-0.44346002	-0.14423533	0.50279355	0.264396	0.29501617	-0.15100408	-0.23695612	-0.2605282	-0.000827187	0.3057468	-0.43541217	-0.7592019	-0.96989167	-0.38789144	-0.94103926	-0.6120963	0.5301056	-0.18597536	-0.43397105	0.3174235	-0.51397413	-0.63502675	-0.8998389	0.1255944	0.44186208	0.38175908	0.4415906	0.2141391	-0.21862085	-0.38396606	0.3444518	0.99999976	0.5587816	-0.90570855	0.21522968	0.999157	-0.24480638	-0.76441085	-0.9999532	0.4433475	-0.85416865	0.05347704	-0.048403423	0.51579237	0.6035017	0.19669378	-0.898959	-0.45497394	-0.13401072	-0.13691929	-0.2062158	0.89815205	-0.27576098	-0.99992365	0.9999991	0.70635676	0.06931615	0.38259763	-0.86012065	-0.26524976	-0.857695	0.15223016	0.4579891	0.061849777	-0.43325055	-0.84981763	0.19658995	0.73065835	0.03614062	0.14699085	0.13753432	-0.60724163	0.98139876	-0.9983574	0.58972627	0.5712734	0.024563259	0.057653632	0.3919615	-0.99743396	-0.3821099	-0.20527542	-0.6155892	-0.6214579	0.13268052	0.3311292	0.9749754	-0.26216283	-0.23273286	0.8880918	0.5868985	-0.19565792	-0.6786826	-0.4820774	0.5153324	0.081993975	-0.9343469	-0.9722255	0.32626215	0.7853991	-0.57015485	0.26120898	-0.1336767	0.45261967	0.6384671	0.1894304	-0.41255662	-0.8258442	0.9994963	0.84760404	-0.46030283	0.47670254	0.3372958	0.29559258	0.9993869	0.8094187	0.000318535	0.3484703	-0.15548024	-0.43248358	0.46917507	-0.99800235	0.47622228	0.75057554	0.5229919	0.36860895	-0.45053956
247	0	O=C(O)c1nc(Cl)ccc1Cl	-0.8424958	-0.20919196	-0.50599116	0.17045246	-0.5264678	0.06627589	0.11814997	-0.16153917	0.3597363	0.12423586	-0.3132504	-0.16011061	0.3147895	-0.6021769	0.11748513	-0.2969564	-0.19612809	0.73399496	0.31576914	-0.097459204	0.52016336	-0.77305365	0.3404081	-0.001424394	0.12375761	0.10183786	0.38215542	-0.035382863	0.25409633	-0.20071685	0.05315074	0.59775406	-0.19359224	-0.04801908	0.3119977	-0.26029655	-0.27714467	0.04856308	-0.049367867	-0.90607345	-0.9952093	0.23151973	0.006403301	0.13054234	0.36907917	-0.9976595	0.10636421	0.009035281	0.87318856	-0.034204293	-0.3606082	0.42933536	-0.2995256	-0.32874253	-0.94945616	-0.13119105	-0.7455232	0.94568425	-0.54151696	0.2694386	0.5650162	0.014819998	0.5154007	-0.015259635	0.052656412	0.58795667	0.26875094	0.3850118	0.17420354	-0.21719979	-0.35403275	-0.98928535	-0.15003803	-0.05893828	0.22084749	0.42554167	-0.5156947	-0.5126506	-0.08900234	-0.99926054	-0.5881235	0.1112398	-0.82598776	-0.6950007	0.7284473	0.6113143	0.7995339	0.1286005	-0.16936265	0.38975915	-0.13604635	0.29178834	-0.044844273	0.40209064	0.9895443	-0.039657615	-0.056716103	0.035157684	-0.38279265	-0.10355612	0.6137546	-0.44903132	0.67604667	-0.7520344	0.95516837	-0.76194453	0.36941895	-0.13908964	-0.9002155	-0.21871446	-0.11774571	-0.49854076	-0.499189	-0.15663846	0.15386575	0.26248965	0.47876942	0.27786145	0.9995358	-0.5365485	-0.24781702	-0.29219666	-0.33923784	0.45912066	-0.41209337	-0.28738755	-0.24800429	0.31076252	-0.3900342	0.9986647	-0.113278784	-0.18994498	0.5336686	0.09613719	-0.20118923	-0.70580095	0.25008744	-0.16139218	-0.5523628	-0.1792079	-0.9949844	-0.09130308	0.97082615	0.54042554	0.40889335	-0.35486028	-0.007293948	-0.6893168	0.99720645	-0.23142606	-0.40670645	-0.60822743	-0.44558284	0.6173377	-0.7142677	0.05293296	0.05351222	0.9993388	-0.30985263	-0.6767647	-0.993547	0.66541326	-0.1460337	-0.3067319	0.13171834	0.2644345	-0.007229567	0.42206696	-0.7115686	0.18540522	-0.66705287	-0.09972535	-0.08483196	-0.30332407	0.6532101	-0.93548274	-0.75551254	0.23727958	-0.48734042	0.56696683	0.33974656	-0.875362	-0.18762371	-0.30143443	-0.88233554	-0.4289611	0.61891717	0.08080186	-0.2520086	-0.12954457	0.880328	0.040428493	0.2547645	-0.27739707	0.011530411	-0.35003814	0.19919145	-0.50190604	-0.00824824	0.15579809	-0.09600175	0.469788	-0.7241932	-0.014780688	0.42490548	0.10875943	0.6616862	0.49012655	-0.06920758	-0.8845009	0.56802994	0.081006	0.33518326	-0.17526703	-0.19500065	-0.21390615	-0.067279205	-0.3250523	0.30011728	-0.28070456	-0.21121345	-0.46988887	-0.01771564	0.38375708	0.99531615	-0.44061986	-0.18902124	0.47555232	0.3094656	0.12769115	-0.40113243	-0.3526512	0.5859094	-0.6619377	0.18518113	-0.6924767	-0.03346825	0.08700641	-0.2841989	-0.26089075	0.90625155	0.050516676	0.46626312	-0.71309763	0.38673037	-0.1504307	0.40852875	0.1312685	-0.41755557	-0.38402262	0.38777784	-0.9985837	-0.70389104	0.06008639	0.17159125	-0.41232902	-0.2800171	0.4948288	-0.21875833	-0.132855	0.05079158	0.5045515	0.25373545	-0.7277027	0.27143484	-0.046649836	-0.40889275	0.55475473	0.40923887	0.010794718	0.58110213	-0.7816596	-0.0639268	0.03875482	0.2681447	0.8870946	-0.5543712	-0.3252219	0.020301566	0.5746954	0.046088655	0.999501	-0.1977023	0.5353078	0.3961139	-0.43256205	-0.29358667	-0.7278801	0.5633784	-0.09482837	-0.11149052	0.9996667	-0.3060301	0.817425	0.20179564	0.13139485	0.9958615	-0.827774	0.16589151	0.36493316	0.5514233	-0.10844822	-0.12777974	-0.07746478	0.5708036	0.5271593	0.99790233	0.37530044	-0.50911176	-0.37490934	0.17741816	-0.5136153	0.21026227	0.12055286	0.2366673	-0.3580543	-0.22081192	-0.29344243	-0.9633733	-0.07855636	-0.3120557	0.7884772	0.42829195	-0.6466339	-0.42822012	-0.14419444	0.61360675	-0.96373934	0.5360003	-0.3353867	0.25437436	0.060635608	-0.3644108	-0.22057761	0.38903758	-0.43500316	-0.049320765	0.068347946	-0.5627364	0.5075556	0.5203759	-0.70585465	-0.15216385	0.56810415	0.22401705	0.18122987	0.43439826	0.23162277	-0.12506323	0.93421984	-0.99648285	0.3133686	0.40665835	-0.54519916	0.31537297	0.014499645	-0.538241	0.995226	0.25232667	0.002260638	0.005907415	0.20275053	0.21255505	-0.017463962	-0.4264043	-0.38194266	0.4870092	-0.07651039	0.07225525	0.29424757	-0.41244832	0.56899285	0.47846118	0.8686379	0.43673363	1	0.34271282	-0.49194732	0.5402326	-0.36937013	-0.9085909	-0.48604766	-0.33273706	-0.32170713	0.15909989	-0.094557926	0.034105945	-0.10661834	-0.07035137	0.79207176	0.32692847	-0.02721972	-0.51921046	-0.103544846	0.37121895	-0.49420527	0.040044695	0.5244757	0.8672923	0.31611863	-0.6177399	0.28997606	0.07095365	0.45380938	0.11553175	-0.13286203	-0.7163597	0.4099593	-0.649217	0.2088902	0.7631764	0.28135538	0.37727928	0.34885144	0.39793262	0.2382139	0.99994135	0.3953749	-0.997682	0.07603829	0.99926335	-0.3727323	-0.51152474	-0.99761826	-0.21975417	0.77625555	0.733712	-0.04644183	-0.026587214	-0.08996596	0.45148686	0.38925782	-0.16773547	0.27955982	-0.31835493	0.33841452	-0.09091242	-0.05022527	-0.99997556	-0.9997139	-0.99650306	0.48162112	-0.44208974	-0.41291425	0.48611104	-0.43147737	-0.88184935	-0.18510534	-0.032175157	0.39225468	-0.61795336	-0.028431669	-0.110187195	0.18473536	0.02750774	-0.1612281	0.015005248	-0.99094445	-0.99992555	-0.44216973	-0.23416573	-0.14064193	0.025562651	0.27298084	-0.934768	0.030007655	-0.27901176	-0.26855484	0.26310816	0.36301282	-0.08890282	0.94668174	-0.23886181	0.9335145	-0.10533183	-0.62482613	-0.026504423	-0.5807914	-0.25164855	0.32822993	-0.49682537	0.65350467	0.5407015	0.3000119	-0.5768983	-0.21572822	-0.20019375	-0.2306905	-0.10050016	0.6733516	-0.49129573	-0.12605923	-0.009514197	-0.89967406	-0.09896083	0.15349129	-0.26160887	0.16748135	0.11300911	0.9998135	0.27735582	-0.40286317	0.2418661	0.18586949	0.03962829	0.35060412	0.6250179	-0.1566948	-0.24100713	0.24453135	0.502497	0.12870853
248	1	Oc1ccc(Cl)cc1Cc1ccccc1	-0.7195656	-0.31783682	0.46996674	0.4128956	-0.17810969	-0.4358693	-0.62244886	-0.30010703	0.4303654	-0.5724114	-0.72416407	-0.051551178	0.14410822	-0.8140264	0.033148836	0.42557824	-0.13759105	0.2166894	0.25684953	0.1722279	0.44340226	-0.8304313	0.13040979	0.47523692	-0.33628708	0.12528662	0.5141729	0.28952178	0.38236374	0.062040865	0.053539652	-0.048309594	0.3403157	-0.32595763	-0.27643123	-0.32772124	0.23274647	0.5073314	0.7121972	-0.9436352	-0.99153316	0.3798708	-0.06359709	-0.47438538	0.101789065	-0.99254763	0.26840517	-0.34816936	0.85883665	-0.32902858	0.43594047	-0.36741453	0.002517011	0.22068664	-0.9364271	-0.46184912	-0.4886725	0.9223259	-0.11052872	0.4551715	0.002923433	0.41849265	0.18907851	-0.1952455	0.086736396	-0.106524974	0.50766265	0.64888376	-0.23471506	0.3802788	0.5730756	-0.8799895	0.28767577	-0.25941065	0.7069945	-0.1779176	0.6103889	-0.5253657	0.19452253	-0.99717176	-0.6473244	0.5063135	-0.7281889	-0.50769174	0.03741495	-0.813577	-0.5222227	-0.15131143	-0.39863366	-0.3161893	0.41283086	-0.31755227	0.043983582	-0.22267546	0.04765207	0.37631372	0.7864501	-0.40870777	0.20768136	-0.30797207	0.6280757	-0.22342159	-0.078664996	0.84361106	0.5831646	0.49582782	0.27407444	0.3186612	-0.8632817	-0.07565009	-0.19046848	0.17983937	0.015311321	-0.107756935	0.32870632	0.72975934	0.7338424	0.14087373	0.9986418	-0.16661352	0.21190192	-0.3230527	-0.20650716	0.6343548	-0.39522955	-0.3138818	0.13239218	-0.11026432	-0.36661607	0.9999378	-0.091426276	-0.12754045	0.67470235	-0.3363585	-0.10780998	-0.6962188	0.7496778	0.8041802	-0.7369277	0.20160364	-0.99995464	-0.2501692	0.99564356	0.28454635	0.5399725	0.15511245	0.09425876	-0.113702565	0.97078216	-0.32890144	-0.11733055	-0.48693293	0.41388628	0.6924424	-0.1349758	0.006687794	-0.44771546	0.9958231	-0.35403693	-0.29788288	-0.9864059	-0.33057836	-0.22685023	0.20639239	0.29508504	-0.19086833	-0.28356072	-0.06508827	-0.2036725	0.25855178	-0.38210064	-0.18389073	0.10949609	-0.3122286	-0.051916547	-0.98478395	-0.6484925	0.45458075	-0.4229076	0.42733917	0.06754383	0.5851107	0.2618795	0.13667183	-0.8846149	-0.3888291	0.4382655	-0.02487306	0.29099426	-0.14032137	0.45258263	-0.2720599	0.255037	0.56352836	-0.55707544	-0.14228709	0.6170558	-0.5626599	0.76987326	0.5558463	0.189097	0.10888899	-0.7819099	0.16055685	0.43858993	-0.36733258	0.4052044	-0.56674457	0.210711	-0.9950078	-0.45103014	0.04730659	0.10753416	-0.012068563	0.15749486	-0.2999104	-0.23439546	-0.41750252	0.21909556	0.49073833	-0.29842028	-0.02961467	-0.5293033	-0.6045138	0.991683	0.4720913	0.07923133	0.29599655	0.06869262	-0.25925872	-0.13837554	-0.23877472	0.444477	-0.29293543	-0.037464406	-0.6111067	-0.30122635	0.23012558	-0.36545888	-0.29394877	0.8888307	-0.14232954	-0.1354671	-0.667999	0.7786094	0.026310934	0.419993	0.109599784	-0.026286578	-0.12913197	-0.1941693	-0.9682313	-0.1955272	0.4823729	0.22627069	-0.21087784	-0.021458004	0.3721175	0.003768601	-0.07425957	-0.4242313	0.22646877	0.20822863	-0.4334267	0.5313011	0.29170978	0.024797235	0.030260982	-0.5480061	0.5022266	-0.476572	-0.50192845	-0.373969	0.30704927	0.58448505	0.8860037	0.28881055	-0.14081301	-0.1490171	0.24858977	0.46566877	0.99959606	0.14044459	0.7494517	0.32308003	0.15526845	-0.41237742	0.22166365	0.80194527	-0.28575882	0.29620168	0.9989514	-0.13251139	0.1994123	-0.41120875	0.4769903	0.99998385	-0.9937388	0.47388104	0.33384746	0.38678333	-0.21165472	-0.27900997	0.17306589	-0.13370523	-0.78705525	0.96132535	0.5300266	0.3720172	0.026182054	-0.18525696	-0.38299093	0.56741047	0.002851661	0.9409785	-0.66803503	0.32384682	-0.14837036	-0.9616386	-0.18036085	0.09914104	0.35802644	0.55586225	-0.73223364	-0.76320773	-0.15475568	0.41603684	-0.9569497	-0.19885789	0.32854417	0.12737495	0.005931617	-0.33160588	-0.3037855	0.60417944	0.7123868	-0.48173547	-0.22827154	-0.46524134	0.1507624	0.35069835	-0.06499651	0.23078091	0.49636883	0.27367923	0.3613917	-0.20390767	-0.03524465	-0.37332487	0.79933304	-0.9972502	0.055289917	-0.15747136	-0.3347251	-0.07897521	0.10416137	0.060565405	0.99903303	-0.40219972	0.034056302	0.100289784	0.014867796	0.29274246	0.44195914	-0.9350813	-0.48212606	0.16247381	-0.7237045	-0.18646191	0.09929846	0.41369763	0.27384445	0.33454138	0.9428518	-0.014297595	0.99794006	0.23793226	-0.22583544	0.010249385	-0.29285806	-0.81480664	0.0719091	0.17498362	-0.6642358	-0.52189416	-0.1698377	0.07112142	0.3765753	-0.04924796	0.6855926	0.14837341	0.5255782	-0.5118692	0.21884377	-0.05829344	0.23595832	-0.26943722	0.11628147	0.47480935	-0.27202693	-0.96529144	0.39730775	-0.5036567	0.12652862	-0.23949756	-0.39236963	-0.27969447	-0.5923251	0.05996811	-0.17724952	0.45330164	0.4296425	-0.16894604	-0.09159221	0.147593	-0.42624286	0.99991935	0.2203369	-0.9800748	0.1887557	0.99946433	-0.45276523	-0.015893217	-0.9981608	-0.16900091	0.3068474	-0.09318557	-0.25869265	-0.33851904	-0.003806676	0.15473004	-0.07927191	-0.59611285	-0.62617034	-0.39188182	-0.60058427	0.3078626	-0.19389175	-0.9999753	0.98948926	-0.97042954	-0.37890834	-0.007822606	0.13143398	-0.19879735	-0.73001456	-0.711984	0.57333696	-0.39749077	-0.78655815	-0.80543447	-0.67930233	-0.05548283	-0.20262374	-0.17803022	0.064184844	-0.028076977	-0.9525073	-0.9999326	-0.6361802	-0.20094098	0.041859534	0.103690796	0.229581	-0.99749166	-0.17896509	-0.78349805	-0.3418412	-0.021415805	0.22005166	-0.36383003	0.9596068	-0.027652785	0.8461369	-0.0769621	0.6592452	-0.029990211	-0.7781721	-0.10516294	-0.20071068	0.19351697	-0.583831	0.13647455	0.015375718	-0.23639576	0.091868	0.010442208	-0.7610315	-0.16966899	0.49994785	-0.20676124	-0.15221393	0.15594733	-0.08396197	-0.038465574	-0.64452326	0.27177143	-0.36384296	0.057735965	0.9992616	0.5975407	-0.5574807	-0.054773115	0.1572381	0.5285005	-0.04813131	-0.3519159	-0.14472243	0.75137097	0.11068134	0.65359265	0.05732672
249	1	COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2	-0.45240873	0.40929148	0.05530775	-0.5055617	0.12252302	0.8350746	0.15867929	0.22066316	0.15270638	0.102216594	-0.22157143	0.30683845	0.7202128	0.020269696	-0.48161507	-0.2161813	-0.7704891	-0.03683234	-0.4239336	-0.5468441	-0.040350262	0.1914115	0.6065155	0.13102819	0.31761035	-0.8109037	0.119305104	0.67772895	-0.35712495	-0.6096409	-0.49256867	-0.7042399	0.2625695	0.11369939	-0.41446078	-0.25902903	0.14937665	-0.16977833	0.99982077	-0.23703754	-0.019053714	-0.5470685	-0.45024553	-0.24545303	0.2381129	0.78790545	-0.23539224	0.6269171	0.4552987	0.56241673	0.6162365	-0.06303973	0.2019386	0.13704024	-0.32077894	-0.013478886	-0.4013931	-0.9524706	-0.33313805	0.15087804	-0.5637574	0.69381076	0.2623054	-0.042560678	-0.47048634	0.4678734	-0.23942535	0.43884122	0.41960964	0.7445045	-0.78277576	-0.97889733	-0.26479125	-0.2507501	0.19031641	0.001903598	-0.33246186	0.29905888	0.74682415	-0.9989269	0.35886067	-0.18567902	-0.72130907	-0.43975443	0.1306551	-0.63891196	0.1567934	-0.57133174	-0.18797813	-0.68417716	0.8449794	-0.3024872	-0.3233019	0.28704616	0.99921393	0.021008419	0.22866859	-0.7280196	-0.52892244	-0.21766663	0.3803407	0.593393	0.37308058	-0.5026141	-0.9997294	-0.7438904	-0.4964732	0.59220624	-0.9047577	0.23492862	-0.36622226	-0.6644438	-0.49479407	-0.5605934	-0.27943605	0.69091314	-0.012726685	0.33119193	0.92350966	0.2368242	-0.0482384	-0.4558615	-0.5482911	0.20404609	0.38181868	0.4307238	0.40835193	0.599032	-0.07440486	0.99724054	-0.11592594	-0.20956019	-0.15579742	0.34802672	-0.45269227	-0.9634461	0.59273237	0.28822812	-0.8016903	0.009360193	-0.9999931	-0.23329481	-0.078411005	0.19022979	0.0881428	-0.018984526	-0.07083872	0.45968467	-0.9986657	0.2167339	0.7573579	0.18874584	-0.24859352	-0.1122245	-0.05488034	-0.38007778	-0.7757133	-0.9660055	-0.84410506	0.67255515	0.038820878	-0.2095817	-0.22866718	0.30827054	-0.51659805	0.09984549	-0.7961131	0.23910087	-0.17044033	-0.1347698	-0.73120475	0.35831815	0.07455571	-0.027971255	-0.60812205	-0.7189355	-0.1148125	-0.7469363	0.023594618	0.5353365	-0.046893187	-0.9865445	0.03167427	-0.21909177	0.93767685	0.72206277	0.5677301	0.16693473	0.19243829	0.09663892	0.54004	0.2283211	-0.6488507	0.3854506	-0.18293	0.4901054	-0.68591654	-0.8834267	0.72640824	0.006547955	-0.6128619	0.80348325	0.42600176	-0.7175654	-0.33397895	0.031651337	-0.00799679	-0.11400687	0.4956105	-0.99994045	-0.6088993	0.08120634	0.45598212	0.19041887	-0.19055718	0.10520597	-0.120992236	-0.009418142	-0.59161305	0.605775	0.094042815	-0.3805115	0.20917962	-0.48215443	-0.94787323	-0.5756084	0.43645963	0.57303053	-0.57821447	0.8348931	0.28048438	-0.46674636	0.59608513	-0.09285495	-0.6950254	-0.044321813	-0.28111508	-0.69189334	-0.5759333	0.2612568	0.85001534	-0.123362616	0.41920003	0.5118247	-0.064273946	0.9043098	-0.35882103	0.22996771	-0.1586152	-0.29379162	0.47619182	-0.7654335	-0.17389268	-0.25043544	-0.38503972	-0.50659263	0.372964	-0.7582385	0.60436106	0.083839044	0.17417377	0.15729576	-0.4117783	0.58326274	-0.32857418	-0.48219842	0.19216086	0.6305653	0.6790477	-0.30202833	0.75792915	0.9967593	0.61702716	-0.19752026	0.003784327	-0.88879454	0.10328263	0.8650386	0.55955076	0.13938616	-0.15716489	0.92207825	-0.13947938	-0.6415327	-0.42210582	-0.33894378	-0.26174167	0.5969039	-0.8791555	0.071062535	0.612788	-0.23654734	0.60899186	0.922166	-0.57667154	0.108035885	0.99999756	-0.9156882	0.56749815	-0.31872177	-0.27488488	-0.036050316	-0.37369505	0.36486572	-0.5807781	-0.9197015	-0.997993	-0.04426048	-0.47358948	0.35863164	-0.6190297	0.20410986	0.015517367	-0.450732	-0.6711564	0.6889282	0.01206436	0.089837685	-0.9449443	0.037310272	0.74189514	-0.37590674	0.53558743	0.036739554	0.6861225	0.3077912	-0.18245596	-0.37298822	-0.3971532	-0.42028737	0.5134004	-0.08284662	0.6768153	-0.37419546	0.0381973	-0.32666174	0.22994678	-0.022668773	-0.36657804	-0.074707516	0.20165871	0.37636626	0.32815334	-0.39835376	0.16931501	0.48719606	-0.34823248	-0.23826839	0.494613	-0.9568277	0.03865575	0.07951511	0.3693881	0.12956534	0.20357668	0.35997155	0.004345934	0.998624	0.00951431	0.2708433	0.3784877	-0.3631919	-0.5638309	-0.54846954	-0.7722966	-0.7755577	-0.13678926	0.83044374	-0.14114934	0.3872418	0.5626531	0.12326955	0.9187029	-0.7467562	-0.47729826	-0.996568	-0.6415592	0.19638002	-0.5461974	0.5833866	-0.37953192	0.063622944	-0.8895828	-0.60640323	-0.4234477	-0.10888296	-0.32952574	-0.5620943	-0.74991083	-0.33481896	0.35494366	0.1413586	0.69029933	-0.5038731	0.45650417	-0.49016184	0.6486247	0.020717846	0.8678531	0.13351774	0.96990603	-0.306487	0.15921369	-0.34752083	0.010129336	-0.6839818	0.10710874	-0.5484418	-0.47358704	0.2884558	-0.7223178	-0.5882171	0.47442803	-0.721201	0.28098616	-0.58386457	0.99987966	0.19468158	-0.9382675	0.32801378	0.99934006	0.51764953	-0.17665084	-0.99908197	0.35059792	-0.44633976	0.5539185	-0.17392571	0.36637712	-0.5245134	-0.07513792	0.14271984	-0.6529468	-0.74882233	-0.6631767	-0.40235656	0.053984087	-0.27672786	-0.99984336	0.9999997	0.12894939	-0.5385771	-0.24535728	0.035380032	-0.061440904	-0.32587597	-0.65601945	0.06373597	0.7694034	0.6478599	-0.68879366	-0.061235458	0.21124513	0.40730974	0.801076	-0.8084017	-0.2653806	0.9586895	-0.9981487	-0.48256648	0.19805644	-0.54826176	0.177574	0.3069846	0.26536566	0.5046579	0.61264336	0.7219789	-0.020277891	0.21533112	-0.55229616	0.95971954	0.38265303	-0.16030402	-0.20521206	-0.3333358	0.64721507	-0.007869565	0.4257013	-0.1440502	0.39896888	0.6639533	-0.93378866	-0.18999152	-0.5570483	0.25388184	0.2890234	-0.11805303	0.09521683	0.38551894	-0.008942699	0.2596175	0.15819106	0.99935496	-0.44131002	0.55382574	-0.50918597	0.5983894	-0.3602244	0.999007	0.84769136	-0.5572939	0.25875595	-0.09209218	-0.07436313	-0.59648806	-0.9995247	-0.54134595	-0.059362862	0.40610257	0.7401621	0.69127476
250	1	CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12	-0.23098326	0.28910005	-0.39882377	0.25667894	0.047783956	0.7132013	0.16837482	-0.41005567	0.38868892	-0.17827061	-0.25413185	-0.24265786	0.3804735	0.134771	0.09755525	0.43297067	-0.43156433	-0.49629304	0.39679003	0.04965789	-0.2564174	-0.30409327	-0.28637263	-0.51287484	-0.39161754	0.6577957	0.741214	-0.29169413	0.079629846	-0.43172154	-0.36585483	-0.18628363	0.4249755	0.3307947	0.039534815	-0.11068551	0.05697848	-0.34565136	0.99948174	0.2331077	0.39771554	-0.22000863	-0.040198535	-0.057157487	-0.15162727	0.2407923	0.37519732	-0.19020098	0.9488141	-0.4970303	-0.24137343	0.015463432	-0.43948215	0.67627615	-0.6764075	0.46954226	0.053929225	-0.6850712	0.3802662	-0.52965975	-0.18365024	-0.32793978	0.07389085	-0.056398753	0.7055184	0.03910757	-0.19398159	-0.4637052	-0.2981977	0.86850977	-0.55592674	-0.9532703	0.17060554	0.8702766	-0.123524286	0.93531096	-0.5299053	0.023482552	0.72473824	-0.99987364	-0.87517357	0.01664331	-0.22050598	-0.34014714	0.27565905	-0.6593415	0.05190379	0.003340958	-0.2640859	0.21294405	-0.64686143	0.6305809	-0.0822134	0.17713927	0.9983793	-0.57056254	0.29633188	0.17214996	-0.23082742	-0.45054054	-0.09392534	0.30778486	-0.66921765	0.8722687	-0.9992026	0.2562674	-0.42555252	0.5925178	-0.99760115	-0.0000940	-0.6448098	-0.46929184	-0.20243461	-0.3704129	-0.100504085	0.29276463	0.26482263	-0.3665657	0.9611336	0.19104615	0.7648482	-0.10422349	0.28293443	-0.3336663	0.5318209	-0.5535689	0.22289844	-0.41694042	0.076116346	0.99840295	0.5918151	-0.12889788	0.13861327	-0.006120746	0.13647728	-0.60417664	0.69503635	-0.025788099	-0.17790605	-0.72281224	-0.999989	0.2539422	0.14431292	0.45121962	-0.25055614	-0.33267212	-0.31301084	0.49370095	-0.99385035	0.532706	0.5256638	-0.94659066	0.87485677	0.35125342	0.28310168	-0.47747537	-0.475065	-0.8684349	-0.638092	-0.47840098	-0.691625	0.012347148	0.010297871	0.09292489	0.57508266	0.28564692	-0.40655282	-0.28596506	-0.1595601	0.83508646	-0.43821025	-0.4125088	-0.1760197	-0.44385964	-0.018647159	-0.97813326	0.8162498	0.2569623	0.70181584	-0.37386003	-0.43784842	-0.9667424	0.3387892	0.22295353	0.9156279	0.25348428	-0.6106805	-0.3948148	0.111966245	0.11127648	-0.6933943	-0.32980892	-0.18147042	-0.31153265	-0.037606396	0.018002624	-0.31081006	-0.15292875	-0.42150253	-0.51235014	-0.4770073	0.08908099	0.42865568	-0.5595504	-0.36197415	0.6329896	0.30147874	-0.15760092	0.14051886	-0.99994564	-0.3388481	0.34896424	-0.13605537	-0.49042484	-0.010332514	-0.39363462	-0.11803464	0.7373414	-0.6217536	0.1549578	-0.19772127	0.05483613	-0.64144397	-0.61498237	0.9999726	0.50246394	-0.294501	-0.041471098	0.5305855	0.7425654	0.21122496	-0.51382226	-0.32704002	-0.001511673	-0.64410615	-0.18887378	-0.37729225	-0.11836693	0.10411605	-0.10579101	0.82330203	0.2247122	0.43038628	0.06913399	-0.9255422	0.40210146	-0.4732451	-0.37357166	0.16419919	-0.42926311	-0.59341925	-0.49181122	0.08085922	0.61076075	0.05911187	-0.5981973	0.48238853	-0.07713615	-0.49158	0.5488078	-0.6731503	0.47631106	-0.5391618	-0.58242285	0.20823446	0.4362228	0.4492812	-0.38855252	-0.19678196	0.5879004	-0.20100535	0.999212	0.12261702	-0.5191487	0.24201417	0.69874084	0.67580044	-0.6209584	0.28048152	-0.56110096	-0.003192561	0.9833553	-0.7473637	0.24489892	-0.4661773	0.08575908	0.15296659	0.29629195	-0.96958816	0.071036905	-0.29339254	0.45430088	-0.67142767	0.31241325	0.24104941	0.49660072	0.9999993	-0.9425535	0.87115747	-0.3318641	0.4706512	-0.34449434	-0.12498817	0.0805664	-0.8623923	-0.96913886	-0.9922687	-0.13988736	-0.5048229	0.017399536	0.34095812	-0.3890405	0.29832882	-0.5835103	-0.51997733	0.67921495	-0.50854385	0.40012166	0.80681765	0.5356506	0.08656869	-0.199356	-0.06738264	-0.32897818	-0.43010688	0.32343942	-0.23319487	-0.30697098	-0.3069401	-0.14337489	0.31652626	-0.5098296	0.45901456	0.102866754	-0.021803379	-0.213338	0.19445175	0.034024328	0.7318371	-0.5072556	-0.2389143	0.061999373	0.8843183	-0.37188676	0.20888305	0.59171206	-0.40736485	-0.21732473	-0.085834384	-0.9182676	-0.59535825	-0.032762494	-0.3169225	-0.6530168	0.35168645	0.47638613	0.2955073	0.99933654	-0.2788074	0.6368227	-0.15388057	0.4208213	0.41611373	0.8915745	-0.77098006	-0.25906384	0.6584645	0.80425626	0.6365124	-0.42545608	-0.16834545	-0.686097	0.59325856	-0.42377076	-0.04350955	-0.99997807	0.6722317	0.17091922	0.26021045	-0.42091674	-0.39408872	0.12780252	-0.051580895	0.12821372	-0.048244834	-0.36581153	-0.2753277	-0.60330343	-0.3975988	-0.9184926	0.45875102	0.10227292	-0.3622963	0.264331	-0.32532382	-0.01899171	0.17675072	0.17951694	0.7050625	0.11439815	0.9285106	0.62007755	-0.6902346	-0.058001716	0.42215255	-0.25087404	0.3030482	-0.49835527	-0.2594011	0.2838193	0.13778594	-0.77703154	-0.23715995	-0.061646696	-0.4723664	0.43144932	0.92228466	-0.122281864	-0.77416885	0.2871505	0.9976909	0.34379652	0.15393372	-0.9903605	0.59142685	-0.4247441	-0.50722396	-0.5607067	0.23300749	-0.47136262	-0.084450856	-0.56803626	-0.36562416	-0.014175076	0.69170225	0.6094285	0.11911282	0.17542912	-0.99991643	1	0.30447015	-0.6348363	0.46517643	0.81397444	0.08247254	-0.052769624	0.7816295	0.4228463	-0.4361214	-0.5155858	0.3635415	-0.2753625	0.42911354	0.48689762	0.19179167	-0.33673763	-0.46526542	0.8728701	-0.99943614	-0.7924873	-0.07933126	0.36622727	0.41541675	0.32095557	-0.2195787	0.43846986	-0.6804302	0.1218323	-0.2685499	0.43437022	-0.35363346	0.20629321	-0.031649772	0.7848822	0.322152	0.46551785	0.055373512	0.4282028	0.09160179	0.39424857	-0.10158596	-0.056458093	-0.99190974	-0.022059107	-0.5677483	0.36747736	-0.50722563	0.25227657	0.30714047	-0.93419373	-0.005173078	-0.6887498	-0.41946986	0.99876946	-0.42322633	-0.6469336	-0.550354	-0.13342313	0.45546308	0.9999687	-0.5238167	-0.45769536	0.17330803	-0.35343447	-0.44767895	0.117278874	-0.99952877	0.31467256	0.3654406	0.20745338	0.69984245	-0.1522772
251	0	CN1C(=O)CCC1c1cccnc1	-0.694856	-0.19046243	0.3009142	-0.13261549	0.20619696	-0.22512087	0.09340631	-0.40709713	-0.09612809	0.5736286	-0.007570121	-0.29812825	0.22005576	-0.7123919	0.065751046	0.7751184	0.56755054	-0.1153319	-0.19287795	0.5350586	0.5261233	-0.6513365	-0.024247298	-0.18139963	-0.506838	0.0977918	0.7001904	0.36073473	-0.36457473	0.4396937	0.34449953	-0.022978162	0.05276687	0.001391568	-0.30994177	-0.43247983	0.11310621	0.36863637	0.40621403	-0.8071473	-0.9923599	-0.40127838	-0.56971484	0.49417454	0.5324399	-0.9953904	0.17312935	-0.06983444	0.56634027	0.20599574	0.17720698	-0.23419803	-0.18104511	0.4707259	-0.7351391	-0.23963594	-0.21980612	0.92537045	-0.29654333	-0.24055555	-0.053005207	0.093281776	0.32530054	-0.38481247	0.41077894	-0.4320757	0.49274448	0.34271327	-0.22294372	0.0494363	-0.4164454	-0.99926394	0.17441273	0.56177694	-0.32757998	0.5413152	-0.054788396	0.120295815	0.4939977	-0.9995948	-0.3178849	-0.66093224	-0.89146984	-0.5445598	-0.267516	0.67000306	0.47988516	-0.47618306	-0.11797367	-0.52122563	-0.28476465	-0.49000376	0.33906677	-0.4296201	0.97962385	-0.21284232	0.22264701	-0.28894934	0.18929918	-0.22038586	-0.6253039	-0.31765756	0.20845015	0.62914246	0.8365627	0.008550785	0.42512664	-0.29179737	0.98994595	0.45758048	-0.012690599	0.1933677	0.29318705	-0.059400726	0.46239972	-0.29118723	0.25183442	0.24227627	0.99934715	-0.30955178	0.09200097	-0.5250358	0.5861897	-0.26585585	-0.5053988	-0.13130914	-0.2844816	-0.21268979	0.068835735	0.9945879	0.3847896	0.18527353	0.110055715	-0.722843	0.21706913	-0.9842105	-0.043715097	0.3840475	-0.5847771	-0.7017445	-0.9999755	0.25094408	0.97430104	0.25168142	-0.23601143	-0.41406405	0.22385244	-0.006156897	0.9895064	0.18564068	0.032829687	-0.3792909	0.09434157	0.1327907	0.24422273	-0.55603737	0.17797461	0.9987043	0.5694746	-0.9098114	-0.9938945	-0.30386153	0.24049129	0.14603803	0.56652176	-0.11375763	-0.07351246	-0.08859162	-0.48862863	-0.26741004	-0.2371346	0.020545043	0.023228964	0.188909	-0.19622926	-0.97825724	0.30697322	0.5332465	-0.032407794	-0.581236	-0.1811483	-0.8004862	0.28346342	-0.06953131	-0.87170345	-0.10458336	0.19262704	0.17268606	-0.102507204	-0.13635299	0.1774335	0.22164382	-0.5494034	0.34889635	0.3886338	0.21130176	-0.2817888	-0.8822198	0.7982581	0.030494232	-0.16374904	-0.28794843	-0.51996416	-0.603333	-0.23443668	0.24600974	-0.2371056	0.43127126	-0.003936688	-0.98585516	0.13129021	0.81555593	-0.30578235	-0.73949903	0.10275905	0.10481758	-0.006213973	0.04576904	0.27679458	-0.031921584	0.34835553	-0.27202544	-0.039883297	-0.7442713	-0.87834215	0.3407618	-0.51871973	0.08215803	-0.06973356	0.18788281	-0.5000761	-0.37767088	0.16291693	-0.05813636	-0.3545756	0.07860067	-0.22937189	-0.17066085	0.36896914	0.25634927	0.73183286	-0.3285296	0.15063444	-0.20062181	0.4816755	0.063932925	0.025397588	-0.005522932	0.34144172	-0.38698798	0.24101694	-0.9648722	0.16483629	-0.08727799	0.000447888	0.24988827	-0.4604533	0.17277542	0.27840626	-0.13393058	0.18506363	-0.25592595	-0.33519876	-0.17083664	0.2772782	0.35676923	-0.14559774	-0.15413849	0.43406045	-0.08989605	-0.040894087	0.050252106	-0.36785623	-0.26090094	0.4449745	0.4480544	0.3607549	-0.8755858	-0.39065614	0.2296937	-0.26877826	0.99972755	-0.3321	0.35384557	-0.10823003	-0.31052354	-0.006430728	0.3498834	0.9748167	-0.16305609	-0.5724783	0.9996273	-0.011717281	0.3830197	0.21607573	0.23104954	0.99998486	-0.71807224	0.31842938	0.21192333	-0.3254615	-0.28184578	0.16019835	0.36258742	-0.10739321	0.049328957	0.9877076	-0.06178844	0.00755692	0.027346503	-0.08983401	-0.18447976	-0.36038917	-0.824048	0.5114563	0.1314678	0.18449043	-0.18523918	-0.999979	0.43318033	-0.49500045	0.17291252	-0.12006959	-0.14688516	-0.14901726	0.51246333	-0.6605836	-0.7100037	-0.45190746	-0.15660186	-0.04248792	0.011600613	0.20679191	-0.24278235	-0.089673266	-0.81320685	-0.4540584	0.26403323	-0.23477447	0.26130277	0.4635665	-0.21697232	0.45285946	0.83691716	0.2932969	-0.08344591	0.30476463	-0.5544685	-0.23500344	0.90531784	-0.9970001	0.5355715	0.01593506	0.014971782	-0.31326663	0.57163024	0.11306179	0.9990859	-0.5812895	-0.47446653	-0.36882555	0.1361465	-0.5082097	0.57823366	-0.13599409	-0.3735106	0.08521278	-0.435598	-0.19279261	-0.29906598	0.80297536	-0.4233042	-0.16078846	0.83992004	0.13196242	0.9980703	-0.28186533	0.25278157	0.46696556	-0.41391048	-0.80749077	-0.10910393	0.11816105	-0.34599128	0.13795649	-0.47274157	-0.1297294	0.24445768	0.4456584	-0.60667825	-0.17559472	-0.10864387	-0.07859736	0.3336664	0.03615873	0.16437607	-0.34267324	0.49125522	0.7686016	0.32632858	-0.6433748	0.051567324	-0.3391886	-0.31690603	0.18638621	-0.29813635	-0.5715708	-0.3672256	0.07281888	0.076468386	0.46138987	-0.34501562	0.6527743	-0.17088118	-0.43447125	0.16588096	0.9999999	0.117149964	-0.9378054	0.29451218	0.99938464	-0.07449484	0.17421049	-0.9999383	0.15080662	0.11834377	0.5336077	-0.6801318	-0.77303225	-0.49287814	-0.6324853	0.8758371	-0.5428107	0.05752882	0.028095828	-0.06051065	-0.017514886	-0.29430622	-0.9999801	0.98762834	-0.9842504	-0.023578439	-0.27116397	-0.34366113	0.20626956	0.47258517	-0.5344465	0.36409047	0.1957829	-0.53638566	-0.30215585	-0.10333046	0.3268258	-0.5675253	-0.030193882	0.28488076	-0.15099944	-0.9888866	-0.9999435	-0.080300376	-0.6485574	-0.47283816	0.78085494	-0.04952148	-0.9085647	-0.60996944	-0.018312141	0.49719456	-0.062162418	0.63677907	0.8093929	0.7731742	0.6758343	0.9732815	0.32207686	-0.04156501	-0.27508992	-0.33096915	0.06651861	0.20384175	0.23903055	0.5018209	0.44184875	0.33227727	-0.24818444	-0.20577481	-0.61383754	0.15639319	0.03811936	-0.5196981	-0.016837725	-0.20904891	0.26698056	-0.6730426	-0.09835907	-0.08733325	-0.17214519	-0.31311715	0.23534016	0.9994431	0.037930217	-0.37774646	-0.4070548	-0.17108002	-0.6582469	-0.031082308	-0.20127535	0.25959757	-0.081366755	-0.47254863	0.6569367	0.4752854
252	1	COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O	0.8312206	0.50978816	0.09463468	-0.3450556	0.19476204	0.21758035	0.248374	0.57431215	-0.062073827	-0.4824278	-0.71604764	-0.25235543	-0.41419238	-0.17562361	0.28283328	0.5235869	0.005293286	-0.27418816	0.39201486	0.3554402	-0.034300726	-0.50799537	-0.33487707	0.37782368	-0.4142577	-0.6818958	0.43709227	-0.34340346	-0.5373488	-0.16082731	-0.50547785	-0.6669319	0.41929573	0.1640448	0.348733	-0.13270095	-0.47064632	0.17209952	0.9996886	0.03646926	-0.006364595	0.7744154	-0.652591	-0.48658332	0.34864816	0.55958396	0.5139451	-0.35173273	0.9824935	0.4063254	-0.2332903	-0.56995034	-0.5491265	-0.18367504	-0.40274575	-0.34852737	0.06490214	-0.6485958	0.21416359	0.10851597	-0.3984766	-0.32208136	0.06776118	-0.11346793	0.39134616	-0.11666821	-0.12167121	-0.5556135	-0.25663063	0.39625624	-0.54524356	-0.9275802	0.1330359	-0.077565975	0.19764924	0.22157077	0.19191776	-0.02654829	-0.31540608	-0.99972606	-0.73821545	-0.57546824	-0.865734	-0.2833088	-0.000214346	-0.7732304	-0.39021453	-0.7320234	0.075060084	-0.67152596	0.6308059	0.50324774	0.58222204	-0.5991384	0.999286	0.5111997	0.396435	0.15872848	0.74163246	0.38724285	-0.14078029	0.39474487	0.3311671	0.97874814	-0.9989832	-0.81950563	0.31018722	-0.50722104	-0.99968934	-0.024306105	-0.68035066	0.04995629	-0.02354236	0.18548639	-0.27268195	0.50286376	0.021596953	0.36240497	0.93009406	-0.055302292	-0.54884857	-0.6206588	-0.13631703	-0.08280662	-0.80072415	-0.38944668	-0.13544273	0.8072927	-0.35766572	0.99930066	0.18627568	0.14450678	0.0916539	-0.27588493	-0.18007992	-0.2680583	-0.00738973	-0.3018716	-0.685783	-0.58153534	-0.9999118	0.14008562	0.09500909	0.39997536	0.121023886	-0.5793253	0.41955596	0.023553917	-0.9966154	0.42613858	0.4729777	-0.8585918	0.2709963	0.72639567	-0.27417484	0.48022175	0.40402928	-0.8644261	-0.8491892	-0.72125757	-0.22261597	0.33104602	0.4563975	-0.2540319	-0.34567776	0.21896672	-0.38755846	-0.6689245	0.5622603	-0.3830413	-0.13924901	0.50035006	0.75589234	-0.7637158	0.00762133	-0.93146855	-0.6694376	0.31212384	-0.04182473	-0.2468888	-0.20951161	-0.9857157	-0.009991988	0.3958785	0.86603993	-0.003877734	-0.7465563	-0.1504809	0.18460058	0.4887673	-0.2867394	0.37505883	0.43810338	-0.32477942	0.2808649	0.3343731	-0.3304978	-0.16501826	0.14514698	-0.3318144	0.26278594	-0.78078574	0.10289883	0.07675172	-0.32602096	-0.5759424	0.6579748	-0.4881399	-0.13746344	-0.99996364	-0.36607814	0.06642545	0.20409474	0.25936976	-0.3235598	0.02513162	0.13498485	0.28124282	0.10900427	0.17053941	-0.65968853	-0.7574716	-0.55818117	0.35819045	0.9999737	-0.46373498	-0.68057996	0.7631656	0.21952242	0.0842508	0.14349349	-0.28696927	0.3377664	-0.5040717	0.34172672	0.024011854	-0.004474119	-0.5663791	0.05583955	0.26276353	0.8802182	0.7131401	0.47001064	-0.34770557	0.04054497	0.20226918	0.41565454	0.11285873	-0.0856195	-0.5547344	-0.083667964	-0.97843343	0.5448129	0.79094386	0.07797158	-0.5186759	0.56450826	-0.58128023	0.44889465	0.65227807	-0.7391303	0.6911226	0.5291628	-0.58134276	0.6088762	0.27466094	-0.17486088	0.16755825	0.017564503	-0.2862202	-0.20718248	0.9983615	-0.4082003	-0.18988442	-0.48926395	-0.65206146	0.31331006	0.50450176	0.5285321	0.6332323	0.23014471	0.9771692	-0.33403996	-0.056191225	0.16065127	-0.2019104	0.17032349	0.10918762	-0.80877995	-0.30157545	0.38052234	0.4927088	-0.28251836	-0.461807	-0.077568196	0.523198	0.9999435	-0.9433317	0.09971063	-0.02030557	0.11267301	-0.037326783	-0.70129126	0.49522993	-0.37588596	-0.8501661	-0.9969297	0.469821	0.87585723	0.032265652	0.20574382	-0.03903667	0.47285601	-0.646401	-0.433029	-0.16947229	-0.002645088	-0.043926418	0.8866108	0.047775965	0.40928063	0.09759355	-0.41664162	-0.6985284	0.2011878	0.54627985	0.49081182	-0.49702623	0.19198388	-0.66205	-0.01888437	-0.61465865	-0.65800923	0.19162582	0.17949164	0.14199258	0.4110237	-0.16299587	-0.5487745	0.62219524	0.44354063	0.7244111	-0.09009024	0.146766	-0.22039981	-0.32648328	-0.5788963	-0.60610163	0.15404738	-0.930679	-0.4957607	0.07205185	-0.5527662	-0.053335734	-0.34890023	0.48313877	0.6130107	0.9997379	0.13401762	0.6944853	0.2695156	0.373871	0.17873265	0.5483234	-0.92956597	-0.3408588	-0.2323225	0.16358352	0.06839564	-0.5554212	0.20403029	0.47881427	0.13944535	-0.39567932	-0.011428683	0.99312913	-0.48176584	0.0777711	-0.41757855	-0.2516996	-0.47219726	-0.41346198	0.7010348	-0.1560987	-0.23024556	-0.59598565	0.38744897	-0.42398837	-0.55150366	0.3954299	0.023811838	0.4731322	-0.36685544	-0.2170792	-0.11030853	-0.84626245	0.5149791	-0.22370578	-0.7485953	0.6484373	0.9575639	-0.5439589	0.10097922	-0.3092473	-0.46691823	0.40902394	-0.18031119	-0.2525326	-0.31095156	-0.72668254	-0.26482224	-0.1122762	-0.09114717	-0.55949664	-0.6022356	-0.36219117	0.9705872	0.42565212	-0.97530305	-0.46424294	0.99900657	0.10517877	-0.189212	-0.99039483	0.18222569	-0.7526105	-0.6995216	-0.18790527	-0.10478797	-0.45177406	0.21299516	-0.021050468	0.0327827	-0.3249454	0.38326746	-0.56304437	-0.014166445	-0.11721029	-0.9997809	0.99293077	0.49618533	-0.40115315	0.42887175	0.85506564	0.07365618	-0.57411975	0.059032846	0.34655693	0.20505996	-0.36894256	-0.62540877	0.16092177	0.06043581	0.5896415	0.3998783	-0.5904754	-0.019370751	0.9342765	-0.9989714	0.5678115	0.9075609	0.06982103	0.7568629	-0.5740453	-0.011407527	0.7529402	-0.25958794	0.6064331	-0.03084675	0.11867958	-0.52950996	0.9596708	-0.016992508	-0.7382682	-0.5473084	0.3439249	0.42658788	-0.2520887	-0.55342233	-0.096784	-0.5905445	0.38280123	-0.98766905	0.455101	-0.18185334	-0.31403655	0.66310096	0.18377669	0.21140525	0.39201924	-0.06518438	0.71141726	0.19787489	0.99964845	0.43672353	-0.085555	0.7602203	-0.67154074	0.7457237	0.9999898	-0.04201567	-0.000808839	-0.44880912	-0.18600662	0.3309863	-0.58781207	-0.99942565	0.3286827	0.77368385	-0.47624567	0.2713714	-0.86483616
253	0	CCNc1nc(Cl)nc(NC(C)(C)C#N)n1	0.1298963	0.60580224	-0.12980258	-0.1273931	0.014160879	0.22145282	-0.2690172	0.07133157	0.33639342	-0.46447077	-0.07727612	0.15646465	0.44425753	0.7475686	0.3838857	-0.7493448	-0.5328644	0.57382804	0.1080737	-0.17543678	0.66755885	0.08552867	0.5805251	0.4184807	0.19581403	0.6811197	-0.37011018	0.44152725	-0.16447893	0.45979488	-0.31859353	0.60279876	-0.37527233	0.24166457	-0.45656866	0.18839794	-0.022479454	-0.12251494	0.9454475	-0.778666	-0.9340003	0.75833976	-0.071215585	-0.08549396	0.2346513	-0.9725734	0.3048355	-0.3214126	-0.6463208	0.033677917	0.004591067	0.5135938	-0.39195085	-0.69473857	-0.64499134	-0.03318929	-0.42116523	0.5789901	0.000528099	-0.23060459	0.24866247	-0.22748123	-0.00403256	-0.122777924	0.15592144	0.25515398	0.51515335	0.15997973	0.09934848	0.12873566	-0.993473	-0.9980023	0.38950253	-0.5568351	0.3286696	0.15609092	-0.29141647	0.12541492	-0.37366992	-0.9985093	-0.22551094	-0.025117364	-0.9366362	0.26234207	0.30772305	0.20666996	0.21059729	0.46844605	-0.115423985	-0.58815384	0.085694425	0.089365706	0.34814852	-0.40546697	0.9993911	-0.22123171	-0.5151222	-0.08133651	-0.08756248	0.3563408	0.09985396	-0.23623747	0.59496266	0.1547573	-0.31917784	-0.9883049	-0.001049734	-0.18106428	-0.9980212	-0.74064237	-0.061601926	-0.34248063	-0.68645436	0.71793544	0.32394892	-0.37128955	0.28486368	0.44378123	0.9991109	0.52284145	-0.1293041	-0.3836472	0.90019876	0.62698686	-0.010076241	-0.30917442	-0.32562557	-0.12024962	-0.16557224	0.98514515	-0.81253266	-0.5776742	0.2925877	0.36975902	0.8038079	-0.9799012	-0.7739341	0.09013445	-0.1633127	0.5989276	-0.9989827	0.12556764	0.73628247	-0.38250378	-0.6799297	0.34439072	-0.011798442	-0.25881228	0.8737977	0.32207543	0.7640364	0.8342153	-0.58395886	-0.21460102	-0.48061502	0.60974854	0.26231322	0.98314667	-0.45249927	0.8888543	-0.9775349	-0.23151527	-0.41707748	0.044618826	-0.09881325	-0.3290143	0.2787655	-0.6360924	-0.53817797	-0.33157846	-0.3628334	-0.064589	-0.19016472	-0.58450687	0.34831944	0.72276783	-0.45471793	0.83202094	-0.78242093	0.6501555	0.38765773	-0.9752727	-0.055458512	-0.06819888	-0.13433549	-0.009923208	0.5126411	-0.002200957	0.022743924	-0.3457413	0.9514787	0.7745306	0.56008404	0.4985889	0.3782737	0.19952744	0.14375418	-0.463655	-0.6378006	0.35332623	0.03506091	-0.069312155	0.46794483	-0.23578955	-0.74187505	-0.23205681	0.5070536	0.15674572	0.81192595	-0.99727637	-0.2842989	-0.27106056	0.35797828	0.39384678	0.7055117	-0.14961597	-0.025835019	-0.5776226	-0.07645441	0.5999271	0.119839914	-0.7411375	0.60178196	0.23859473	-0.92537117	0.32527885	0.2544045	0.2587598	-0.10937489	-0.08967225	-0.28896362	0.35720316	-0.62129295	-0.47097522	0.21496934	-0.49097583	-0.56925213	-0.2997248	-0.16667196	-0.017447066	0.941361	0.69930136	-0.54281896	0.1989973	-0.5845373	-0.67634434	0.5058555	0.46069428	-0.0629724	0.6260642	-0.78831184	-0.9988855	-0.2499821	0.025515614	-0.302255	-0.10686219	-0.03659767	0.3649517	-0.31523547	-0.50028706	-0.46889842	0.3657025	-0.118507154	-0.25931364	0.7603192	-0.3891959	-0.42783415	0.124837704	-0.7677175	0.51033556	-0.14490125	0.94207406	-0.84188515	-0.37730482	0.26617137	-0.73205686	0.6815211	0.62780404	0.49200225	-0.05047352	0.54452294	0.9994268	0.21989112	-0.17585763	0.33017784	0.32513154	-0.20805831	-0.9194883	-0.98594487	-0.051326938	0.5490975	0.9979928	-0.5747392	0.89168805	0.78669745	-0.5080438	0.99847084	-0.543305	0.3838178	0.26492882	0.7039355	0.31823218	-0.5813546	-0.3077334	0.8844541	0.9699927	0.77166337	0.6310249	0.13245954	0.43938103	-0.071695894	0.3647885	0.37942278	-0.168294	0.21304142	0.3669396	-0.031106021	0.64909637	0.9327838	0.48228282	0.23685402	-0.16585496	0.5503146	-0.41367024	-0.1376461	-0.569565	0.6360002	-0.2684182	0.17345582	0.11799439	0.31765446	-0.64707756	-0.37473843	-0.022841489	-0.08010237	-0.82711196	0.308361	-0.37916315	-0.49904618	0.11642851	0.6455439	-0.5811772	-0.18790929	-0.000940881	0.08553292	-0.59964454	0.5048978	0.31734988	-0.039059706	0.5186677	-0.9863125	-0.03997989	0.4521495	0.056181893	-0.4533118	0.30681548	-0.14068916	0.99927574	0.16223937	-0.13374414	0.2961365	-0.2796358	0.0739754	0.045647047	0.20415895	-0.67707586	0.3314845	0.52442735	-0.18909504	0.18523975	-0.007041277	-0.20874915	0.5016422	-0.43913674	0.27273807	1	0.8046686	-0.14262666	-0.24177514	0.12876078	0.04464341	0.42229515	-0.12664537	0.6742288	0.25627935	-0.26040158	-0.5267577	0.13176607	0.019599078	0.6279805	-0.2288777	-0.48387462	-0.2000319	0.5491461	0.63687676	-0.80115294	0.13854544	0.20868124	-0.13200101	0.27185035	0.68321276	0.5120047	0.16449393	0.021177117	0.33954436	-0.21081002	0.5328421	0.8088109	0.066455536	0.011781748	0.5563495	0.50217444	-0.099337675	0.72045004	0.6414496	-0.01812728	0.9496112	0.5853025	-0.8839932	0.067734264	0.9970611	-0.06799263	-0.21426079	-0.9776258	-0.21244204	0.29468948	0.44952023	0.08754095	-0.30709103	0.72516125	-0.17593062	0.50909436	-0.61604	0.32880282	-0.6578558	-0.45911455	0.21508344	0.49136484	-0.99996305	-0.9970884	-0.9712631	0.43896925	0.41622716	-0.2937187	0.50633377	-0.05106574	-0.6631894	-0.013807393	-0.15154444	0.044790447	0.5361806	-0.30375218	0.46733263	-0.10754675	0.5203638	0.17142251	-0.25307867	-0.8489851	-0.99995255	-0.21106157	0.056154564	0.33957162	0.000823587	0.029625928	0.22666168	0.65892804	0.6124095	-0.59043324	0.6001143	-0.23054487	-0.3414386	0.90284127	-0.054080583	0.54538363	-0.4649159	-0.26152518	-0.62879497	0.09529447	0.05814521	0.21785773	-0.37553725	0.6733439	0.8759156	-0.50442344	-0.13345256	-0.07526232	-0.32663882	0.2273961	-0.654108	0.6192387	0.33753717	-0.5305469	-0.51022065	0.6479066	0.20786235	0.51956517	-0.12828507	0.2042895	0.10803817	0.9999927	0.0501731	0.16313864	0.67538303	0.23361482	0.4532561	0.34578598	-0.9510374	0.28354263	-0.9572118	-0.04511035	-0.5158117	-0.000118896
254	0	O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1	-0.648094	-0.3072527	-0.7472601	0.432826	0.12826991	-0.55364937	-0.3764688	-0.110979974	0.526958	-0.18625993	-0.57512957	-0.31211647	-0.3332907	-0.27679893	0.35455576	-0.359455	0.15205117	0.15092982	0.38871145	0.27671337	0.46112508	-0.44872436	-0.035434686	-0.41925514	-0.019146135	0.17761108	0.35294545	0.052083574	0.4944955	-0.21543936	-0.15756048	0.5449505	-0.104414016	-0.29522958	0.38906553	-0.39503032	-0.62443054	0.058736093	0.9683551	-0.58807737	-0.9913195	0.30276477	-0.3431575	-0.04228074	0.9138059	-0.9796871	-0.24232401	-0.20398279	0.44174168	0.08700921	-0.2749326	0.655517	0.0818813	0.15754028	-0.58124465	0.1939407	-0.65991765	0.52799773	0.061962362	0.09274932	0.018774172	-0.59508634	0.261179	0.25362906	0.029755691	0.39304438	0.4718805	0.18811968	-0.5035187	-0.09425519	-0.9407559	-0.96913004	0.2791941	0.21430704	0.44175935	0.17059498	-0.31176904	-0.44931394	0.5869204	-0.9990442	-0.7829534	0.09157522	-0.7049038	0.15182075	0.2759736	-0.46399587	0.5614713	0.19560163	0.063260935	-0.40822178	-0.410771	0.6657655	0.16055389	0.2698479	0.99409056	0.093079664	-0.089457564	0.260045	0.49310493	0.18782084	0.08819359	0.13357347	0.770551	0.8945113	-0.41498253	-0.22816448	-0.23710169	-0.11403993	-0.999452	-0.37152094	-0.39234278	-0.21328586	-0.21610233	-0.468146	0.004479143	0.45567366	0.1089409	0.1319156	0.99886113	-0.2690498	0.03822015	0.073298424	-0.84082866	-0.547596	-0.8287021	-0.17831141	-0.004509804	0.3699144	0.15706286	0.9993959	0.08340964	0.17223775	0.55890423	0.028916705	-0.45091444	-0.8685182	0.24017581	0.5482304	-0.56735003	0.5218618	-0.9999908	-0.4709456	0.8758898	-0.28778794	0.33154264	0.12460707	0.110535026	-0.2884475	0.84748757	-0.32868624	-0.21946551	0.5984308	0.32008386	0.5864587	-0.17114429	0.05981339	-0.37355816	0.96992993	-0.5307129	0.47833756	-0.96469724	-0.039708853	-0.25910723	0.19773428	0.25434625	0.6226941	-0.6742221	0.05064749	-0.38419595	0.68211514	-0.45136285	-0.000237564	-0.208997	-0.33980328	0.42462388	-0.96436125	0.49155408	-0.045275535	0.47975424	0.020699058	0.11823667	-0.9451762	-0.26259905	-0.15635183	-0.62955827	-0.37695315	0.097203165	0.41516262	-0.07758821	0.30331805	-0.1378606	-0.4881822	0.19012456	-0.50593	-0.33437324	-0.60213566	0.3140035	-0.36581114	-0.18824787	0.60287386	-0.19122444	-0.6035019	-0.5618442	-0.05529856	0.2674458	0.15924336	-0.024987847	0.37960634	0.23076946	-0.99902534	0.27739373	0.2840135	0.013774586	-0.8183912	-0.16399598	0.53241205	-0.20024404	-0.3900393	0.2474133	-0.56925124	0.46082836	-0.36386108	-0.7132673	0.23674957	0.992516	-0.40331516	-0.1361474	0.5989465	-0.23398429	0.12854277	-0.25520954	0.3241269	0.033085737	-0.11147895	0.2531845	-0.48977816	0.29052186	-0.1801538	-0.21794437	0.058486704	0.8647284	0.113876425	0.48993966	-0.5939803	0.11927484	0.010172806	0.2383937	-0.11135623	-0.15442201	0.03346142	0.6058499	-0.97082984	-0.37279585	0.4160735	0.17821313	-0.2600162	0.1816025	0.44400063	0.21428382	-0.40059507	-0.109965794	0.24078089	0.6968082	-0.3158259	0.6371779	0.15215379	-0.03937572	0.29099873	0.55064595	-0.059459805	-0.03782641	0.41433537	0.060996335	-0.12948027	-0.4330238	0.8504246	-0.32054722	-0.64939666	0.48652464	0.06257998	0.28342503	0.9995732	-0.07125916	0.49358332	0.64557785	-0.37828103	0.1295528	-0.85829145	-0.8941494	0.4468223	0.18148614	0.99683064	0.48107967	0.077624746	0.4250343	-0.14769307	0.99998933	-0.94420815	-0.15168136	0.35273933	0.086999595	0.003253772	-0.2986911	0.8406658	-0.44071093	-0.120471194	0.45913488	-0.19645631	0.67022735	0.056677207	0.52634174	-0.3119478	-0.42356738	0.37237903	-0.15242942	-0.6520483	-0.29118973	-0.20532101	0.95345384	-0.6754673	-0.6641133	-0.062030584	0.20423089	-0.37602815	-0.31545883	0.1290192	0.57926905	-0.97966295	0.32415438	-0.1585326	-0.254451	-0.68759614	-0.47181824	-0.19621591	0.8082872	-0.34374434	0.5682835	0.08772044	-0.40643305	0.7016019	0.2858633	-0.37116092	-0.076298594	0.5509659	-0.34192413	-0.38382986	-0.6098256	0.015754338	-0.6295235	0.005344861	-0.9929872	0.19265677	0.41357034	-0.41607904	0.06415701	0.1251051	-0.33323538	0.9989298	0.20413682	-0.33025113	0.1269484	-0.21683428	0.24061503	-0.19543035	-0.60485786	0.14063515	0.31919694	0.005741346	0.23969883	0.06585679	-0.45486736	0.40720642	0.08558441	0.78258306	0.37085336	0.9937079	0.6558703	-0.6747518	0.7399325	-0.47145322	-0.41688433	-0.19305989	-0.5201651	-0.028138805	-0.124716274	0.31156737	0.08781288	0.2692206	0.20454048	-0.053011138	-0.18743877	0.30597886	-0.049947385	-0.11330148	0.7193033	-0.100350484	-0.36750782	0.23882835	-0.25205278	0.22962573	0.30857602	-0.27517974	0.041946135	0.6175103	0.46310475	0.16581243	-0.66694134	0.000493747	-0.095346056	-0.17265646	0.28676963	0.44839254	0.3962484	0.41360292	0.051533174	-0.12835021	0.9381584	0.11827202	-0.9903492	-0.0527291	0.9998243	-0.6194354	-0.10770609	-0.96863043	-0.12311079	0.38098103	0.31152517	-0.77102816	0.11169646	-0.25297487	0.21807557	-0.100232325	-0.013288082	0.42204952	-0.233213	-0.41210416	0.25597155	-0.5485655	-0.99999356	0.99883693	-0.918511	0.30254763	0.2371305	-0.21982059	0.20895554	-0.5547741	-0.8699766	-0.12518647	-0.8176875	0.38135457	-0.6532338	0.3138858	-0.2697199	0.52631795	-0.33644572	0.033669956	0.35812172	-0.7614837	-0.9999694	-0.35449198	-0.5572495	0.06237414	0.060908284	0.30071098	-0.8807584	0.34378958	0.3516905	0.6596264	0.011435673	0.1420155	0.6339536	0.8202873	-0.33069494	0.88901824	0.32372656	-0.5987228	0.3345112	-0.69119865	-0.5873857	-0.23838401	-0.3981361	-0.30303407	0.8591881	0.44893748	-0.16458878	0.2224736	-0.003728249	-0.055017658	0.25133353	-0.058326866	0.06543845	-0.32481015	0.012411262	0.8426874	0.09803356	0.45391998	-0.16659194	-0.43025523	0.5254453	0.9996883	0.6159664	0.15797693	0.29989374	-0.5129903	0.14275129	-0.033666972	-0.8881265	-0.62150735	0.15741727	0.5412847	0.51525223	0.006193849
255	0	CC1CC(C)C(=O)C(C(O)CC2CC(=O)NC(=O)C2)C1	0.796322	-0.1178057	-0.018801985	0.44243497	0.5954665	-0.005002199	0.34351552	-0.33690178	0.41006544	-0.5072998	-0.64531195	-0.3816733	0.16437435	0.49042717	0.50595677	-0.193945	-0.72297686	-0.59326464	-0.24164785	-0.8981643	0.1895211	-0.55329216	-0.30455205	-0.81048155	-0.22339685	0.78068525	-0.21479714	0.36221755	-0.48696634	0.32653815	-0.16456181	-0.21621583	0.72055537	0.5464357	0.37434325	-0.23077978	-0.5859353	-0.61125064	0.9936132	0.5742847	-0.4379419	-0.43519828	-0.32299608	0.022619946	0.056209043	-0.8011477	0.64639336	0.21185283	0.9460957	-0.60925895	0.23883435	0.23817237	0.03382387	0.63150465	-0.45687437	0.21114706	0.19082335	-0.13906832	-0.01722902	0.77420133	-0.7800137	-0.6556469	-0.33043003	0.24046229	0.49378544	-0.2379873	0.75284827	0.20599782	0.3236042	-0.36721057	-0.23770545	-0.995846	-0.15429197	0.8574309	-0.009665573	0.75998926	0.44627586	-0.337276	0.47738862	-0.99983424	-0.83554393	-0.23979038	-0.20110099	-0.061372627	-0.68610924	0.15509103	0.06875031	-0.63900113	0.41082084	0.25565714	-0.00130571	0.4846213	0.20053506	-0.18798442	0.99777097	0.23177713	-0.7087471	-0.22228304	-0.36301458	0.3113574	-0.6333485	-0.11585806	0.36347118	0.9211647	-0.96245867	-0.057173744	-0.3774526	0.20547451	-0.99814636	0.48962602	-0.103320636	0.82178867	0.19891724	-0.54595304	0.53731054	0.17130536	0.04792171	-0.16634724	0.9960837	-0.001986426	0.5713839	-0.028351545	-0.28386626	-0.19841035	-0.3258525	-0.42614934	0.14362058	0.4080144	0.20708972	0.9833199	-0.33731627	-0.18400452	-0.25036407	0.5629937	-0.4983062	-0.8173756	-0.29938138	0.10224488	-0.13663237	-0.42200896	-0.9999041	0.43565473	0.4342207	0.2946394	-0.2422232	0.114361726	0.18057154	0.31421974	-0.41945595	-0.2195098	-0.38569087	-0.8747605	0.58650005	0.08812942	-0.24881408	-0.47776622	0.39895976	0.7047758	-0.62094367	0.22038558	-0.951057	-0.5046231	0.005586424	-0.65981746	0.30899116	-0.5543624	-0.22905222	-0.18432494	-0.33061108	-0.1432999	0.103917025	-0.13509473	0.7817881	-0.14892806	0.3350074	-0.91971356	0.83585805	0.27255172	0.4483742	0.5328116	-0.37135604	-0.9942143	-0.25247803	0.58015	0.58768606	0.6829564	0.21136014	0.24890773	0.45870999	0.43467242	-0.5802696	-0.41180465	-0.32853487	0.46686122	0.58368516	-0.21080196	0.032216612	-0.6578126	-0.34109816	0.14666511	0.28029513	-0.24382736	0.54563475	-0.53452647	0.4085419	-0.5140634	0.29331654	0.6424689	-0.08438719	-0.99976146	0.51938	0.05307284	0.34868273	-0.50450176	0.5656233	-0.1516066	0.07704087	-0.28510326	-0.8287912	-0.4776338	-0.32849762	-0.06540899	0.04609172	-0.10325427	0.9449372	0.2827307	-0.44637448	-0.0537496	-0.025959836	-0.15633716	0.24982163	-0.25023183	-0.044900805	-0.00194841	-0.4611317	-0.3677425	-0.28415182	-0.23265933	-0.439657	0.36762768	0.62398416	0.90528464	0.13604958	-0.022444222	-0.9235819	0.30506924	0.20621742	-0.1101924	-0.55592686	-0.28734675	0.36321023	-0.9817049	-0.23155785	0.87661123	-0.34234253	0.37830916	0.629492	0.54241633	0.7869997	0.16057172	-0.42719442	-0.5725799	0.5364984	-0.35840842	-0.093139134	0.37641844	0.31150866	-0.123155035	0.45125318	-0.12420244	-0.9080282	0.99247754	-0.047584612	-0.5474901	-0.11456182	0.26205587	0.70410544	0.024620382	0.2247704	0.29002267	0.5437992	0.9981763	-0.16976611	-0.105764195	-0.26096588	-0.017124388	-0.16154231	-0.25227615	-0.98412675	-0.29786596	0.28933787	0.97644573	0.19711669	-0.05691006	-0.3977894	-0.57321477	0.9999467	-0.7760824	0.23187049	-0.2082802	0.39136505	-0.034594007	0.04053871	0.50309926	-0.5255469	-0.8403081	-0.75307167	-0.15997547	0.35410097	-0.54924613	-0.17868508	0.596889	0.5730003	-0.28237775	-0.71631503	-0.4296434	-0.35725895	0.45274043	0.8117216	0.111133054	-0.10377934	0.07172155	0.07099466	-0.023318233	0.21770476	0.65266436	-0.2987121	-0.35533863	-0.43217316	-0.2044371	-0.09264615	0.4957037	-0.6411682	0.39906526	-0.33496928	-0.7877963	0.27614173	0.4085498	-0.2749825	-0.04958885	-0.47554058	-0.17084455	-0.029269908	-0.20578139	-0.46719286	0.5506414	-0.23873135	0.04673549	-0.071430616	-0.42231497	-0.92932594	0.5270406	0.17262043	-0.39092687	-0.15022136	0.06063	0.28878155	0.99940354	-0.191932	0.58346033	0.17168328	0.855013	-0.21621454	-0.13446218	0.001136137	-0.5899002	0.5990071	0.7801692	0.3314721	-0.4623976	-0.07283233	-0.13274385	-0.2665975	0.05243002	0.5506925	0.9970625	-0.10504174	-0.37926096	0.3763685	0.0571558	-0.2234851	0.14339739	0.2932366	-0.58105356	0.04012938	0.2670761	-0.1161321	-0.40216595	-0.01237619	-0.87929577	0.74011886	0.46020985	-0.31459358	0.07087167	-0.49030605	-0.51622224	-0.3817527	0.015176304	0.08299777	0.425048	0.87705225	-0.29165524	0.21040474	-0.503229	0.7064805	0.5556587	0.46838555	0.060940687	-0.35292095	-0.7401892	0.2390734	-0.19492236	-0.61139077	-0.4289751	0.48177722	-0.1397526	0.9706581	0.5476024	-0.2577666	0.82928216	0.9992545	0.34430435	0.6041199	-0.9879831	0.31807768	0.062075455	-0.39316157	-0.6193426	0.49590808	-0.7154979	0.88498765	0.06480407	0.7168935	-0.6404846	0.01675723	0.15175694	0.82970613	0.55712473	-0.99996305	0.99424964	-0.6617163	-0.008260125	-0.40486562	-0.15897243	-0.26501688	0.19237554	0.25256845	0.24645738	-0.06338126	-0.12907039	0.27684405	0.18320823	-0.50342196	-0.14970042	-0.2727626	-0.10359287	-0.4599146	-0.034120675	-0.99989045	-0.28499472	0.016904471	-0.4048877	0.04298906	-0.89857066	0.20047338	-0.08097701	-0.17952468	0.3297897	0.1442808	0.51637244	-0.34367132	-0.077333145	0.56839424	0.17253426	-0.39114502	-0.096746124	-0.18693227	0.39180633	-0.112585485	-0.33218715	-0.2942181	0.6013975	-0.7275227	-0.10412636	-0.46598113	0.07676982	-0.26112807	0.059677336	0.24818277	-0.8894245	-0.3814605	-0.7615963	-0.7453103	0.97598773	-0.1247181	-0.69252026	0.3255356	0.06825494	-0.2953115	0.9999938	-0.16304061	-0.35037473	0.25402656	-0.5083956	0.28827223	-0.057869416	-0.9966174	-0.7343279	0.12413428	-0.41617322	0.5809327	-0.8906095
256	0	O=C(c1ccccc1)C1CCCCC1	-0.28977707	0.17388059	-0.6424416	0.15082261	0.0400315	-0.04554013	-0.22129433	-0.31858402	0.39758712	-0.3717551	-0.49687976	-0.10197855	0.11116702	-0.23013978	-0.19075665	0.6223382	-0.083251305	0.64162004	-0.25834242	-0.28257546	0.4086585	-0.7792083	0.08112743	-0.1635104	0.27710977	0.53475356	0.36269754	-0.024272293	0.47677696	-0.064376034	-0.18120784	-0.006821168	-0.42704254	-0.25713998	0.5350505	-0.45455396	0.09662898	0.3880888	0.54306024	-0.89711845	-0.9930486	-0.42393145	-0.04429514	-0.5234766	0.017090546	-0.99404633	-0.003687081	0.4669788	0.9948589	-0.15301357	0.24493828	-0.18206678	-0.14243618	-0.3934329	-0.9516175	-0.18717849	-0.18365052	0.9354252	-0.073647626	-0.1184143	0.23667504	-0.45783147	0.024085823	-0.5076912	0.4541397	0.04513596	-0.28862613	0.17688261	-0.28124627	0.7009126	0.88403785	-0.89944404	0.2432815	0.5647645	0.72001725	0.13349557	-0.50908685	-0.11222225	0.31118688	-0.99898934	-0.14228006	-0.019929754	-0.6153088	-0.57723993	-0.07215124	-0.62958384	0.109199405	-0.39957762	-0.3380585	0.31423452	0.20723265	0.429343	-0.268592	0.36150593	0.75995433	0.06871715	0.7222139	0.38252887	0.12194051	-0.5710469	-0.020621821	-0.01105012	-0.13699695	0.91331154	0.6430268	0.09759962	0.017791646	0.4451105	0.9952856	0.28462732	-0.33285707	-0.09541025	-0.39567712	-0.046828084	-0.47826245	0.25506616	0.4706	0.20494649	0.99898875	0.074202314	0.1551353	0.13980116	-0.14614613	0.3631953	-0.39349228	-0.10113166	-0.22526863	0.05984208	0.023510199	0.99991846	-0.1191734	0.5095701	0.29619324	-0.51343066	-0.16506067	-0.81324273	0.17733191	0.2505301	-0.34207222	-0.34562707	-0.9999786	-0.23657793	0.99139315	0.14653592	0.57334787	-0.036432605	0.659311	0.4717341	0.9767618	0.15324043	-0.34733304	-0.8781581	0.50618285	0.39365676	-0.27091354	-0.25137472	-0.049418718	0.99751794	-0.17540322	-0.940552	-0.9919838	0.5093413	-0.30522794	-0.092086926	0.009472496	0.096020974	-0.45183137	0.24380253	-0.17700016	0.18319866	0.14878908	-0.12783466	-0.18534671	0.25962225	-0.2058498	-0.9835795	0.88504755	0.32052082	0.013889981	-0.30065683	0.1344638	0.110797465	-0.13547088	0.58364886	-0.9278084	-0.32974404	0.33162123	-0.13661134	0.06918907	0.6495818	-0.43067524	-0.24291405	0.4982823	0.39394394	-0.20463751	-0.26458216	0.36675298	-0.7464117	0.75185806	0.37210196	0.16688082	-0.1259318	-0.47801796	0.502889	0.27692682	0.39646968	0.35473874	-0.43527701	-0.29167837	-0.9932538	0.0812038	0.17777902	0.45323965	-0.64103967	-0.046146516	-0.29119298	-0.56419516	-0.41069105	0.000540048	0.31059164	-0.13212828	-0.056947403	-0.5855428	0.13832392	-0.8931747	0.16929515	0.11132292	-0.27300858	0.12588751	0.3062793	-0.48817378	0.070189446	0.81027585	-0.59139156	-0.1763389	-0.051026225	-0.47542897	0.37160087	-0.26350757	0.31852558	0.88317	0.22233021	-0.029257786	-0.28339309	-0.4079652	-0.43499592	0.15181117	-0.2671402	-0.035825476	-0.48580456	0.23875764	-0.9703344	-0.25871685	0.7138968	0.5521842	0.31972888	-0.3884633	0.6390838	0.489331	-0.31698504	-0.10560977	0.77293414	-0.36474833	-0.41971812	0.2624902	0.40297705	0.36147067	0.04590597	0.46889755	-0.07386518	-0.8042483	-0.73344225	0.094321504	-0.1699831	0.38724014	0.9040255	0.3341896	-0.66161054	0.11333476	0.3778807	0.13119106	0.9996507	0.4058675	0.35696593	-0.27494633	-0.05625511	-0.39109853	0.65345347	0.97782093	-0.48243713	0.3023361	0.9991125	0.24894495	-0.27117857	-0.44981757	0.06554544	0.9999784	-0.9948834	0.2773902	-0.21748479	-0.13804208	-0.42402068	0.13595727	0.20750877	-0.2669395	-0.8027416	0.98309594	-0.13471618	0.73628956	0.38849908	-0.25032827	-0.550686	-0.044988796	0.14666954	0.8496836	-0.3972085	-0.5252651	-0.37874946	-0.99998254	-0.08400923	0.007512714	0.8380551	0.04775072	-0.7579813	-0.71386385	0.1494728	0.45007238	-0.96774244	0.22533825	-0.054268073	-0.14249279	0.31611466	-0.014301021	-0.6579396	0.06270543	0.71195006	0.091348104	-0.55998397	0.15497755	0.28922236	0.40327522	0.35120958	0.13346714	0.8042607	0.34784073	-0.004237947	0.26449707	0.022476377	-0.5631627	0.8411237	-0.9968121	0.3836178	-0.35436618	0.073057406	-0.038529906	-0.30048636	-0.32012358	0.9985078	-0.2462592	-0.16202441	-0.03612355	0.18017273	0.37402487	-0.24131805	-0.693157	-0.47797322	-0.6463691	-0.59317476	-0.3112525	-0.24931185	-0.52779627	-0.29758054	-0.09021904	0.9313464	0.17262048	0.99760634	-0.2145215	0.08935398	0.20331912	-0.43192065	-0.852338	-0.17602657	-0.15298352	-0.62532413	0.24630035	-0.13679904	0.5652237	0.01305025	0.33094636	-0.06322384	0.30048847	-0.2246432	-0.12994343	0.13972448	0.3861026	0.1134519	-0.43941924	0.20716737	0.6386298	-0.24757947	-0.9474736	-0.065153755	0.057253823	0.12126466	-0.1146847	-0.37777093	-0.40121183	-0.38717288	-0.21090019	-0.03286322	0.8055169	0.44971666	-0.40690067	-0.2573557	0.041788142	0.002815481	0.9999999	0.32559577	-0.99425304	0.108003564	0.9975835	-0.5195571	-0.37418583	-0.9999259	-0.23613112	0.018517245	0.26346955	0.3199832	-0.52419835	0.07107658	-0.22130275	-0.24499282	0.038404904	-0.15429439	-0.23137228	-0.4021828	-0.11356401	-0.093381315	-0.9999587	0.9807141	-0.97759175	0.29662693	-0.39386526	0.22899646	0.033298936	-0.55257577	-0.59363854	0.5038188	0.09198759	-0.12812486	-0.42363474	-0.49619085	0.1361123	0.11072571	0.37500983	0.25047427	-0.29489076	-0.9515265	-0.9999479	-0.6850632	-0.18595709	-0.523339	-0.12616009	-0.058092687	-0.99519813	-0.16086076	0.23444349	-0.055402476	-0.6818951	0.15755431	-0.1399085	0.8330064	0.15781832	0.80445	0.46402606	0.060156688	-0.5254386	-0.6283371	-0.099021085	0.16637415	0.039839286	-0.25124905	0.081617326	-0.13584383	-0.036381483	-0.43554947	-0.57868314	-0.45233807	-0.08611205	-0.75016123	0.31340015	-0.16357121	-0.059066605	-0.38577813	0.07923151	-0.5077127	-0.09393549	-0.16592622	0.07930088	0.99905753	0.4950962	-0.024272725	0.19925049	-0.052174114	0.106435895	-0.4825916	-0.29610676	-0.10471181	0.16010503	-0.16274428	0.7297817	0.520532
257	1	CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C	-0.644455	-0.62090707	0.4721399	-0.23951392	0.6512602	0.74908745	0.5531638	-0.10836273	-0.484879	-0.18777996	-0.6951719	0.12572439	-0.24998517	0.31515434	-0.02245731	0.016950857	-0.4519173	-0.2850195	0.7299884	0.114334926	-0.5863513	-0.009924517	-0.36422008	0.20293611	-0.2775874	0.26411843	-0.47272533	-0.62195015	0.54013526	0.19099575	-0.5249714	-0.1486578	0.55902785	0.3415058	-0.18471816	0.44776365	0.590835	-0.1121846	0.99985474	-0.51122284	0.7734227	-0.007831522	0.3726512	0.35060006	0.072432004	0.90191925	-0.2602594	-0.3455932	0.9320489	-0.51566756	-0.2124083	-0.12906852	0.23183614	0.21870534	-0.43521094	0.31740558	0.19818886	-0.8775112	-0.00181712	0.20970894	-0.06601993	0.30026883	-0.21768932	0.124500334	0.2562828	-0.354549	-0.21513757	0.2524586	-0.0660691	-0.011250317	-0.74919116	0.4744681	0.26552048	0.87411875	0.16058594	0.44693682	0.13443965	-0.4337951	-0.60770005	-0.9987724	-0.39188632	0.6350893	-0.6761768	-0.6360952	0.6069097	-0.9793705	-0.3363642	-0.29182178	0.5023413	-0.6992093	-0.3006678	-0.004121852	-0.22343044	0.39925987	0.97734696	-0.22774757	0.85737956	-0.07345718	0.5686673	-0.38591692	0.515756	0.6814485	-0.41723046	0.9560104	-0.99992305	0.61226386	0.08538663	0.34671572	-0.9867292	-0.5589911	-0.61067706	0.27577937	0.85326636	-0.2795414	0.57408684	0.51115197	-0.5076667	0.81780726	0.31033337	0.69612473	0.1625782	0.15893905	-0.45251492	-0.2602146	0.6635507	0.46458793	0.727616	-0.116960496	0.048331086	0.9999198	-0.24017937	-0.3654731	0.22566356	0.037437197	0.5781192	-0.97836715	0.5524538	0.12847991	0.67054737	-0.32149664	-0.99999905	0.36278883	0.6007728	-0.56975794	-0.68678814	-0.06764189	-0.28986543	0.70650184	-0.9995795	0.2778443	0.53047746	-0.87226284	0.9369704	0.5224554	0.68953514	-0.48530456	-0.5097945	-0.99271506	-0.55614316	0.09900645	0.41880664	-0.6844638	0.15774404	-0.10463772	0.3291952	0.15861131	0.76319003	-0.7502757	-0.015699131	0.53288317	-0.030130068	-0.21897231	-0.094186544	-0.18225253	-0.43151346	-0.89786446	0.8589855	-0.12392601	-0.024363097	-0.3150761	-0.4131549	0.41803432	0.60841304	0.28465557	0.9305042	-0.02168626	-0.42382616	-0.376628	0.2751844	-0.0829192	-0.5023817	-0.4836491	-0.7711659	0.19326372	-0.15329316	-0.1820198	-0.49398667	-0.7435273	0.1813493	-0.16349515	0.44176427	0.45320868	0.30836484	0.12930371	-0.06528822	-0.13989992	-0.2664251	-0.7116669	0.55661833	-0.9999508	0.3721163	0.43255982	-0.20754501	-0.23765856	0.09335477	-0.30814222	0.08110737	-0.10252471	-0.098044306	-0.75700706	-0.32139644	0.06764416	-0.70780355	-0.31400573	0.90251386	0.4928762	0.34776008	0.5492788	0.18391304	0.47588727	0.14792147	-0.6369534	-0.29276305	-0.18339247	-0.30102548	0.45765397	-0.67656136	0.032213084	0.04772451	-0.5786222	0.915721	0.33137503	0.34544292	-0.3153856	-0.8791504	-0.29943186	0.43066612	0.4330198	0.1921844	-0.48198244	-0.569796	0.6398688	-0.45490113	0.096138395	0.38534844	-0.3098282	0.13434666	-0.56635296	0.34783226	0.39720437	-0.7730057	0.465619	-0.21226262	-0.46535435	0.03592593	0.52109516	-0.3090298	-0.58535606	-0.464461	0.2117156	-0.38851604	0.99997437	-0.08866128	-0.67978173	-0.43823937	-0.121354595	0.08190888	-0.74552745	0.52413243	-0.85557574	0.39859813	0.8777739	0.56899714	0.5706798	-0.54662746	-0.043612164	0.126685	0.8641978	-0.7251514	0.21381688	-0.7476559	-0.7473181	0.75592625	-0.58421725	0.5671465	0.64540035	0.9999999	-0.99695694	0.3302001	0.10400378	0.67264473	-0.24616648	0.68264323	-0.36840096	-0.6050528	-0.96713483	-0.9995555	-0.51036733	-0.3665403	0.34651777	-0.29568297	-0.57660526	0.74265397	0.26846993	0.88684624	0.5556735	0.5569503	0.24275726	0.08619276	0.28969038	0.70786995	-0.06612024	0.30878928	-0.26468825	-0.11218634	0.6951283	-0.39514908	-0.5894488	-0.09176072	-0.33785605	0.30201378	0.6569365	0.38073856	0.33485442	-0.41711012	0.9427594	-0.30976582	-0.086015545	0.43684345	0.078864455	-0.17073047	-0.21481541	0.90725327	-0.7060391	0.0929176	0.6320318	-0.19883195	0.003075988	0.45071027	-0.9875345	0.025105724	-0.0991955	0.3759595	0.22795966	0.2021342	0.44716594	0.56579095	0.9985117	-0.18477963	-0.37429142	-0.20100045	0.38745975	-0.3290126	-0.34885332	-0.90984267	0.617276	0.802453	0.7475858	0.016979905	-0.03694515	-0.5970322	0.6801926	0.17874591	-0.8641715	0.25761372	-1	-0.010325556	0.43117872	-0.08225781	-0.4530155	-0.113091335	-0.054679915	0.41796994	-0.019342428	-0.8537722	-0.053963747	-0.50521326	-0.39516246	-0.090017416	-0.94994605	0.28115615	0.34908202	-0.029412739	-0.31627265	-0.49458182	0.6473248	0.46822694	-0.5523315	0.46089298	-0.40266964	0.6307463	-0.6130299	-0.80189306	-0.10132875	0.13087459	-0.11029021	0.03717092	-0.92681885	-0.40744674	-0.16632435	0.09492249	-0.48272067	-0.3930734	0.026822817	0.48708305	0.06760629	0.9782281	0.8337798	-0.98164564	0.1891559	0.97445685	0.3611184	-0.32697335	-0.99433213	0.65335625	-0.76506823	-0.42525306	-0.122897364	0.19668652	0.19699831	0.08734415	-0.8999466	0.34396514	0.09467088	0.36018726	0.15112723	0.6490217	0.05338571	-0.99884	1	0.9086356	-0.51644427	0.23023373	0.7250949	0.23215438	-0.17383048	0.8557199	-0.14718394	-0.30546352	-0.16360183	0.4028975	0.36754426	-0.5316417	-0.037665043	-0.6394868	0.49141455	-0.2809992	0.9906291	-0.9892706	-0.60797215	-0.47999233	0.32264706	0.49196902	-0.5505958	-0.9486844	-0.45611295	-0.4777346	0.19488135	0.19642214	0.2832614	-0.61725277	-0.2780042	-0.4381569	0.61473304	0.3764015	0.68404895	0.48331356	-0.4242258	0.3398176	0.28714824	0.019984126	-0.74427044	-0.9990099	0.7036863	-0.067157604	0.21960527	-0.07038952	-0.2184194	-0.09389385	-0.98354787	-0.37410143	-0.48152554	0.15787028	0.9998143	-0.23838142	0.12359043	0.27848035	0.28559855	-0.19564141	0.99997056	-0.34284264	-0.40582067	0.5355846	0.24331753	0.06800794	0.63200223	-0.9998733	0.36273035	0.43786955	-0.07811411	0.6920597	-0.37649655
258	0	CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1	0.6253247	-0.57979614	0.35306847	0.37322322	-0.41371462	-0.72731495	0.22103107	0.22694813	0.4051981	-0.7389184	-0.2783874	-0.7323173	0.22126256	-0.2690519	-0.054906674	-0.73131984	0.38124427	0.55881417	0.71664727	0.42219532	0.78878117	0.6464142	0.51082015	-0.21800658	0.03339771	0.05962928	0.3444046	-0.6562046	0.1576935	0.5616245	0.3147831	-0.037325297	-0.37599525	-0.13026235	0.62281704	-0.009075951	-0.003383295	0.32829347	0.9997745	-0.65045	0.33473516	-0.17878616	-0.24270257	0.15910222	-0.17457013	0.88905126	-0.09376677	-0.6561131	0.9962838	-0.61049277	0.4442703	0.53391564	0.13588162	0.7428681	-0.5697197	-0.35023272	-0.6351026	-0.9236296	0.34851497	0.7777652	0.61882466	-0.04369116	0.4184762	0.35685846	-0.13577466	0.45570815	0.72360176	-0.28849977	-0.79891527	0.010976946	-0.41383317	0.6378188	-0.6674962	0.1868904	0.72703266	-0.6499295	0.09788412	-0.5235661	-0.8609293	-0.99948895	0.25283656	-0.6702392	-0.7820809	-0.093895264	0.17489764	-0.9768219	-0.17016596	0.47910973	-0.30481103	-0.21981396	0.3713898	0.74057704	0.7083028	-0.08551038	0.9952671	0.14180759	0.7492341	-0.16515395	0.30995342	-0.53740716	0.31887218	-0.5673612	0.05483619	0.96254736	-0.9997801	-0.07986918	0.53901136	0.48799616	0.9522633	-0.71698654	-0.65213597	0.30424383	0.23700063	0.6113044	-0.1437652	0.0738841	-0.51547956	-0.020292254	0.7314048	-0.36174473	-0.045334194	0.3222793	0.24873064	0.2862832	-0.68215674	-0.5296372	-0.009911848	0.18439415	0.1040256	0.9999841	0.4296719	-0.79806376	0.70376056	0.62165385	-0.46266913	-0.99208426	0.3125334	-0.68913436	-0.30210623	-0.5087309	-0.9999992	0.7757569	0.6101709	-0.034603946	-0.15028617	-0.24837321	-0.1358226	0.07710549	-0.9991051	-0.12689137	0.60972065	-0.69084024	0.8779153	0.55699056	-0.060570307	-0.5580994	0.2740664	-0.95665807	-0.95040673	-0.950037	0.49287567	0.06200579	-0.19847313	0.5463407	0.7117027	-0.87715125	0.17968318	-0.48535123	-0.17188779	0.14524384	0.6980122	-0.5431747	0.21423613	-0.68333	0.48453707	-0.80569977	-0.6381135	0.28696015	0.53301495	0.22210498	0.08544171	-0.78655654	-0.5221707	0.28291237	0.88660824	-0.28333655	0.55476207	0.23633058	-0.1348035	-0.41941643	-0.6287168	0.17724936	0.6375108	0.08290419	-0.27276924	0.25848162	-0.38776568	-0.2591377	0.42321506	0.35782027	0.2889985	-0.18352318	0.26112366	-0.34781775	-0.6496663	-0.18802316	-0.33804786	-0.23168589	0.8641057	-0.9999541	-0.55151016	0.69179237	-0.34390894	-0.6197989	-0.26054442	0.34094593	-0.36936715	0.1857413	0.1918112	0.12738602	0.8040973	-0.22608009	-0.71961015	-0.75299084	-0.9609384	0.5617523	0.22537766	0.55357486	0.8708281	0.0731854	0.5036073	0.35742748	-0.42550957	0.77530926	0.22202893	-0.41442943	0.20855132	0.331238	0.2070651	-0.26976863	0.90107703	0.8288263	0.30104202	-0.58193845	0.11666396	-0.64823604	0.71221673	0.098499045	-0.26902294	-0.3712405	0.45899916	-0.68540376	0.54554564	0.46141183	0.31623515	-0.29326367	-0.07172063	-0.43499988	0.32244772	0.18052533	-0.48213565	0.4424305	0.25260887	-0.6242414	0.48140988	-0.024103127	0.30167267	0.12386212	0.96006817	0.303538	-0.2799763	0.9999549	0.038807582	-0.39363545	0.081707664	0.7858302	0.4485462	-0.87476546	-0.14079864	-0.6825535	0.005105602	0.9458674	-0.07410752	0.14167619	0.34089842	0.23332916	0.2851588	0.96666914	0.40685195	-0.36640218	-0.45958668	-0.30968693	0.25644854	-0.2295095	-0.099499315	-0.7749327	0.9999999	-0.99667066	-0.2759657	0.6890723	-0.16872084	-0.17641604	-0.4657844	-0.19006865	-0.47381306	-0.45596704	-0.9987765	0.5789239	0.7730477	0.45324662	0.183693	-0.7184624	-0.32300487	-0.41563758	0.6111054	-0.5014714	-0.51379144	0.5872541	-0.9997835	0.42052507	-0.22575997	0.21400213	-0.51294124	-0.9066999	0.09249444	-0.41692135	-0.052477445	-0.8799298	0.6096019	0.76058406	-0.6059631	-0.61440974	-0.64131755	0.59137154	0.12273292	0.9537794	-0.091536045	-0.6431939	-0.2856682	0.3366529	-0.24206921	-0.77099943	-0.2125775	0.3067542	0.048058715	-0.13710019	-0.77669656	-0.30364108	0.1763811	-0.98561805	-0.1569746	0.2496581	0.16341086	0.5395344	-0.51874596	0.10339793	0.69886327	0.99982727	0.42898333	-0.005622894	-0.18480013	-0.040212512	0.37237528	-0.24334328	-0.9760364	0.19686516	-0.055242114	0.19261253	0.14032188	-0.312937	-0.080866106	-0.028291691	-0.08421152	-0.40605476	0.14829521	-0.99784493	-0.25746864	-0.4508325	0.34231368	-0.38023221	-0.39397588	-0.6318228	-0.35611725	-0.520905	-0.21744885	-0.50076383	-0.18652202	0.52373683	-0.43128076	-0.39589193	0.34300268	0.4443718	-0.42547002	0.5771653	0.313727	-0.5905032	-0.6337493	-0.34569585	-0.29625127	-0.8107767	0.68436486	0.68568754	0.4273565	0.14862697	0.33509108	0.3017503	-0.16001718	0.45181835	0.36818063	-0.8610478	0.2583509	-0.5458874	-0.08672745	0.021622706	0.24819277	-0.03074483	0.99999917	0.57771695	-0.94814116	-0.00771665	0.9981195	-0.26627862	-0.03153795	-0.9999165	-0.1483941	-0.7764735	0.20885079	0.4536396	-0.29676566	-0.3555138	-0.4110015	-0.95345	-0.27556103	0.7092117	0.43789533	-0.11312678	0.70623934	-0.40448	-0.99985355	0.9999999	0.74658114	-0.2527571	0.4586626	-0.37158448	-0.093730874	-0.39621264	-0.3885542	-0.68503076	-0.6524542	0.11798163	-0.85751134	0.3277851	-0.48203784	0.5360439	0.34780592	-0.004321265	-0.31164366	0.98333734	-0.9966804	0.12818278	0.5372846	-0.71139234	-0.052130714	0.7291202	-0.8089275	-0.011169348	0.4986614	-0.034388226	-0.6470601	-0.14246276	0.8415981	0.916854	0.17910235	0.28202266	0.039853267	0.028617766	0.035154317	-0.18457457	0.31361818	-0.20806421	-0.6786904	-0.669041	-0.994988	-0.026513802	0.36366	-0.1390623	-0.2635374	0.44285727	-0.87646955	0.06121696	0.7236079	-0.6262198	-0.43876192	0.9996819	0.09992783	-0.7966529	-0.049525317	0.36725098	0.042195518	0.9998603	-0.13583098	-0.22199765	-0.17508355	-0.22539742	-0.24611454	-0.2378256	-0.99927735	0.044491354	0.54991126	0.14731999	0.29516074	-0.16427174
259	0	CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1	0.6483443	0.33550915	0.064654864	-0.2342759	0.5162002	-0.6488855	-0.6925772	-0.28106242	-0.4388578	0.37909278	0.067680426	0.19409268	-0.002354056	-0.20941834	-0.0320697	-0.29155332	0.21273963	-0.31378913	0.36924896	-0.49810758	0.6533212	-0.28730085	-0.40972376	-0.091960296	-0.34674433	0.26667386	-0.06934813	0.23049046	-0.26265973	0.6551567	-0.15360005	0.0887493	0.38337082	-0.6280734	0.3112324	-0.39566892	-0.24970388	0.5396969	0.9990177	-0.39713627	-0.81192404	-0.06927006	-0.23705961	0.4897903	0.021464605	0.2032172	-0.035758384	0.16091484	0.93883854	-0.35919344	0.91012454	0.3988115	-0.8289175	0.72233814	-0.10614516	-0.051917057	0.42035574	-0.45178297	0.6646748	-0.41140315	0.097292446	-0.09182645	-0.1505115	0.06326653	-0.47406083	0.5390523	0.07378395	0.31053928	-0.24434917	0.024326505	-0.4386392	-0.75997686	-0.5715474	-0.5975264	0.68000466	0.45351842	-0.3357244	-0.2409346	-0.48051727	-0.9996398	0.6257038	-0.33751574	-0.943573	-0.311829	-0.236833	-0.92547715	-0.30321106	0.09248575	-0.20373213	-0.55678236	-0.37870935	0.43189073	-0.44390595	0.65590984	0.99863404	-0.20915848	0.32010663	-0.5978487	-0.53592956	0.45079744	0.014206561	-0.18637165	0.5110351	0.9766387	-0.996031	-0.8999885	0.12608595	0.49637893	0.97309214	-0.061519675	0.46848583	-0.6155187	0.05853531	0.84992844	0.1854839	0.48809657	0.45747444	0.40236342	0.9659149	0.18943882	0.28722847	0.6723644	0.24094859	0.19802265	-0.23495075	0.30217794	-0.07185988	-0.6686906	0.6413955	0.99965924	-0.21597916	-0.54990923	0.29293728	0.45477545	-0.49648872	-0.9949201	-0.7866073	-0.30331033	-0.3481875	-0.22646391	-0.9998805	0.5308738	0.5331549	-0.43994802	-0.24363707	0.6299806	-0.27349153	-0.16094166	-0.96975833	0.4401758	0.55370736	-0.81031287	0.39303112	0.1566273	-0.08277227	0.50190955	0.32744294	-0.24901474	-0.5916506	-0.94900465	-0.6386193	-0.5749937	-0.1933224	0.4184629	-0.54359365	-0.04882925	-0.35756204	-0.3221767	-0.01602155	0.54769975	0.55405635	-0.24262494	0.11998936	0.12905838	0.51140946	-0.8268064	-0.46488696	0.10443579	-0.5501777	-0.11295899	0.41229877	-0.97020817	-0.100416094	-0.27948263	0.49479666	-0.48906767	0.40438643	0.14666566	-0.35318464	-0.25295663	-0.65151453	-0.6770558	-0.6997184	0.0582373	0.5028657	-0.17429529	-0.20239456	-0.78535306	0.21168911	0.3594498	0.046023604	-0.78527504	0.39846602	0.30664736	0.664283	-0.66746455	-0.12417051	-0.5243685	-0.34231997	-0.9999222	-0.21997142	-0.027205456	0.44549924	-0.1659304	0.21491863	0.6941255	-0.15141048	0.02920995	-0.14088157	-0.21347521	0.2267577	0.4062308	-0.23570988	0.40649694	-0.9840427	0.52957904	0.6175964	0.16333318	-0.25511515	0.36427715	0.048082028	-0.1946291	-0.38631874	0.34278572	0.3983805	0.048181117	0.101197585	0.060002655	0.75324047	0.27456447	0.8956737	0.47095335	0.27909946	-0.46453908	0.65014714	-0.122959055	0.47883737	0.3335765	0.084814414	0.62606156	0.31045756	-0.96751285	0.14351046	0.7632554	-0.67130977	0.2217597	0.009622619	0.3399538	-0.32054922	-0.321183	-0.053620305	-0.4015129	-0.3166382	-0.67684966	0.5995156	0.5597023	0.28752264	0.3320118	0.9509417	-0.03545174	0.18190041	0.99736685	0.29291967	-0.43827948	-0.444061	-0.48315477	-0.20517574	-0.4665825	-0.2289132	0.29702497	-0.4497689	0.99384344	-0.2926342	0.046740532	-0.75331956	0.3543652	0.49313593	0.83014596	0.5668459	0.7252459	0.15065189	0.80819035	-0.3932389	0.29991704	0.0173907	-0.19244976	0.999933	-0.9723695	0.2957121	0.19021374	-0.0143331	-0.011660457	-0.59509903	-0.123013794	-0.5490701	-0.761373	-0.98790824	-0.013402627	0.8453243	0.26258802	-0.3572533	0.755434	-0.389198	-0.30087602	-0.06918281	0.56817615	-0.27824068	0.40526646	-0.99987346	-0.28045964	-0.08189659	-0.63664865	0.46169117	-0.79297036	0.3826487	0.58318126	0.35977107	-0.7366017	-0.30289546	-0.3313066	0.043030847	-0.6049576	-0.32392207	0.8091698	-0.17557064	0.49169543	0.670163	0.18984672	0.68497765	-0.03826877	-0.27796227	0.29847765	0.07168894	0.4596408	-0.05626125	-0.4119822	-0.38121375	0.6565925	-0.016507095	-0.86780167	-0.8927178	0.6662462	0.6276985	-0.18249965	-0.16359556	0.28971016	0.478064	0.9997263	0.5851662	0.44367504	-0.20574993	0.48677558	0.6443172	-0.5450963	-0.8926614	-0.12232303	-0.5908217	-0.39456946	0.38721466	0.05526486	-0.21376212	0.11316878	-0.505873	-0.23933329	-0.14629416	0.9873556	0.109406345	-0.14284281	0.73133093	-0.13570945	0.397811	-0.4406432	-0.038458146	-0.17263177	0.52364504	-0.48117423	0.49281037	0.4450967	-0.058808744	0.40165466	0.54586244	-0.19013366	0.31882465	-0.21330877	0.2036443	-0.3097554	-0.1362814	-0.05189719	-0.74740815	-0.20722023	0.83668196	0.602803	-0.012522655	0.4261511	0.28079155	-0.74894446	-0.24807136	0.106178164	0.480529	0.36522087	-0.68550247	-0.2586467	0.2567357	-0.015149558	0.81587857	0.07936368	0.9999997	-0.29273742	-0.9222712	0.15724672	0.999656	-0.30862358	0.22612673	-0.99992806	0.107511714	-0.9439858	0.47936642	-0.09621317	0.606268	0.1449055	-0.13176394	-0.43590912	0.16548973	0.7555693	0.4081276	-0.12208741	0.2561369	-0.19374754	-0.9999169	0.99845296	0.24377276	0.45651394	-0.12179385	-0.5627452	-0.4508287	-0.3725936	0.36795858	-0.4570923	-0.3789003	0.47221315	-0.9160708	0.01104254	-0.070501186	-0.2776643	0.45910862	0.5657333	-0.029717414	0.78330135	-0.99952924	0.3605605	-0.573982	-0.025586832	0.29059538	0.24269417	-0.6456991	0.7971647	0.46358156	0.23505895	-0.26155743	-0.6060758	0.28110728	0.9758844	0.0455922	0.07645353	0.3183353	0.37039804	-0.30137372	0.31920138	-0.6595105	-0.59634703	0.17593439	0.095126465	-0.74907774	-0.4123666	-0.16396548	-0.30240953	0.1661419	-0.4391927	0.48925972	0.5318329	-0.5694871	0.5848638	-0.40180025	0.9981659	-0.03000505	-0.17986305	-0.05398612	0.3271938	0.03449816	0.99998957	0.48686707	0.6253015	-0.36755964	0.13548464	-0.4997008	-0.43528438	-0.99673444	-0.4064981	0.46507475	0.14997938	0.124459416	-0.061669342
260	0	CCNC(=O)NC(=O)C(C#N)=NOC	0.84779084	-0.21431498	0.113996945	0.6392703	0.14167808	-0.49991208	-0.07286973	0.3037898	-0.62730914	0.47218645	0.42028552	-0.22095287	-0.16866525	0.18980521	0.3513114	0.49572915	-0.44666252	-0.47779003	0.6008275	0.45771044	0.44784895	-0.6949989	-0.2983288	-0.074225545	-0.8265534	-0.001783315	-0.19370721	0.09790795	-0.83869296	0.44824383	-0.48049825	0.45579597	0.30133188	0.02819053	-0.15809284	-0.6860779	0.32315597	0.6477928	0.8251718	0.015580396	-0.9854515	-0.06456008	-0.19807927	-0.35201973	0.4087904	-0.9854666	0.52294725	0.1369679	0.8936943	0.5545874	-0.38553438	0.021511776	-0.21473831	0.48008248	0.10960659	0.78741777	-0.30903956	0.82552284	-0.35000175	0.041586928	0.34443825	-0.6197805	-0.38140666	-0.7104269	0.40089837	0.32207444	0.06289704	-0.54611415	-0.24900949	0.3463437	-0.65306634	-0.99995893	0.60986257	0.7253358	-0.42380574	0.3960839	-0.48563844	-0.24891779	-0.26695845	-0.99998397	-0.06964062	-0.52666885	-0.38973588	0.5744825	0.3328279	0.9691209	0.34933695	-0.10346882	-0.13969623	-0.21524516	-0.63382447	0.18657583	-0.3160562	-0.21746755	0.99989295	0.7912076	-0.9743577	0.36305577	0.48821074	0.073156305	-0.3649149	-0.17405131	0.30853733	-0.5914167	0.30047438	-0.93779236	0.1152858	-0.25388834	-0.99844116	0.048810378	-0.19613656	-0.07708513	-0.65286535	0.8489511	-0.29863408	-0.734725	0.3988322	-0.61873406	0.99944496	-0.43712777	0.12772058	-0.0860755	0.3719134	-0.5107025	-0.2998979	-0.496435	-0.62184554	-0.20215373	-0.08883522	0.6171846	0.666883	0.07524903	-0.28691146	0.6421846	0.20395516	-0.9808484	0.34121937	-0.6928253	-0.66911596	-0.08037555	0.9920422	0.31110454	0.21123625	0.10534697	-0.18642262	-0.6041273	-0.2600595	0.120495826	0.9208106	0.069157295	0.10150473	0.5896141	-0.5128436	-0.12743558	0.5805174	0.1225783	-0.19254196	0.99536043	-0.52476174	0.8834589	-0.98861176	-0.17174324	-0.47552836	-0.3551122	-0.5357614	-0.78322697	-0.5966829	-0.8455318	-0.4077183	0.34225675	0.28153905	0.08099639	0.56472266	-0.07507902	0.5105989	-0.5441626	-0.7188937	0.16951454	0.3128857	-0.2272217	0.13856088	-0.99889266	0.10851513	-0.71533126	0.18490498	0.8343963	0.0787814	-0.066418625	0.37526098	0.28409743	-0.12519455	-0.05927312	-0.092584774	0.3953136	-0.13901778	-0.12933585	0.23315217	-0.70303833	-0.74049014	0.26536754	-0.42431587	-0.49689737	-0.10394044	-0.75873685	-0.25354075	-0.3304953	0.43291613	0.59975106	0.4948457	-0.99873424	-0.41401726	-0.14731844	0.5717449	0.036278527	-0.040905043	0.18377423	0.059505865	0.037716	-0.4570305	-0.013972788	0.003303318	0.38065344	0.5867228	0.104105815	-0.9143554	-0.009921576	-0.121092744	0.21595632	0.18196471	-0.44254646	-0.55833054	-0.29540733	-0.31373096	0.48893803	-0.23397332	-0.23890065	-0.005895391	0.4348742	0.5114773	0.2538551	0.8346428	0.058257516	0.05456137	-0.7114566	-0.7895958	-0.1677534	-0.099170156	0.14148368	-0.32152683	0.009587312	0.7876839	-0.99988455	-0.08824593	-0.16617596	-0.19305792	-0.3971292	-0.28293648	-0.13472174	-0.46764812	-0.12983504	-0.2172203	-0.39889705	-0.24845318	0.022382885	-0.37614948	0.14640896	-0.30497167	0.619002	0.5842348	0.003129181	-0.16201517	0.99619603	-0.6761854	-0.6134054	-0.08764599	-0.86768186	0.522323	0.73787796	0.6739502	0.7125139	-0.42150885	0.99874806	-0.34599265	-0.6817989	-0.1180973	0.072425134	-0.60442764	-0.9863944	-0.99929553	0.28534123	0.3065565	0.9990988	0.20629518	0.80211526	0.71230024	-0.75582063	-0.9962595	0.9074646	0.6227537	0.25741094	-0.13431999	0.16021769	-0.5107648	0.58008945	0.52826726	0.6853129	0.9547343	-0.32742092	0.10349899	0.30241334	0.38985848	0.14453997	-0.18758926	-0.082410865	-0.8528529	0.20485204	-0.49768907	0.6453911	0.9790873	0.16099128	0.08513561	-0.25368014	0.46244475	-0.22361165	0.43265676	0.08501304	-0.3952621	-0.47213534	-0.24927662	0.06779677	0.4377124	-0.006414396	-0.7077518	0.41094983	-0.29686335	-0.9949597	-0.5307698	-0.72350156	-0.35604668	0.33951434	0.7304147	0.12823774	-0.49476242	0.7459008	-0.35762027	-0.3324171	-0.51655984	0.5910107	0.20326531	0.7601693	-0.9779212	0.25545236	0.5868905	0.42848608	-0.69825816	0.09356584	-0.24081458	0.9998015	0.10111999	0.6433264	-0.085918374	0.03627429	-0.28159332	0.27695403	0.71199703	-0.5454962	0.20291287	0.84963465	0.11938517	0.5157757	0.2756694	-0.5548853	-0.33278304	0.43930277	-0.18169354	1	0.040006265	0.44015354	-0.03899698	0.04805144	-0.8262047	0.17593932	-0.35934734	0.53268147	0.6474392	-0.64553577	-0.5257114	-0.11718731	-0.2355877	0.55450815	0.6344561	-0.5639575	0.7872162	-0.29330543	-0.4744716	-0.95830214	0.09535876	0.69807345	0.06733355	0.735362	0.95239764	0.62402475	-0.38108712	-0.36692372	0.17798564	-0.291506	0.57643765	0.8248464	-0.25523973	-0.81729066	0.038951155	0.048172493	0.5604971	-0.44446898	0.24318695	0.069915265	0.81561327	-0.29390433	-0.6472859	-0.7134255	0.99972457	0.6622387	-0.32218122	-0.9550718	-0.6984475	0.015990587	0.48382464	0.25829133	-0.22054346	0.03873867	0.15493827	0.9385521	0.7705603	0.13951214	-0.07150924	0.061466467	0.6476788	-0.12164702	-0.99981856	-1	-0.9921219	-0.33228686	0.2729749	-0.72290003	0.44680557	0.5860464	-0.9508524	-0.47259963	0.1255915	0.5813963	0.26438928	-0.39608976	0.10695354	-0.3887472	0.27130195	0.035576906	-0.3791479	-0.9762687	-0.99983966	0.17095742	0.70305926	-0.0972864	-0.16405039	0.03519813	0.91561824	-0.208947	0.7803128	0.6441821	0.16295956	0.68831706	-0.036186308	-0.8954696	-0.14899884	0.43930903	0.15209058	-0.78197795	-0.582114	-0.16569528	-0.13767137	0.23292531	-0.600891	0.9647016	-0.7629772	0.052274887	0.10847555	-0.6026877	-0.6478342	0.31418744	-0.22943974	0.6264642	0.13459307	0.4559664	-0.06734802	-0.046259742	-0.18236832	0.12468473	-0.5394287	0.4174465	-0.18862148	0.9999818	-0.34328398	0.012901215	0.01020405	-0.39233777	0.3211907	-0.5266779	-0.9282242	0.3492098	-0.46916053	0.13951606	-0.07932136	-0.6025427
261	0	CC(C1CC1)C(O)(Cn1cncn1)c1ccc(Cl)cc1	-0.5301587	-0.05147207	0.5445692	0.19860637	0.49557754	-0.697598	-0.70251405	-0.63581413	-0.08615381	-0.19547918	-0.2431335	-0.29194167	-0.0626481	-0.510686	0.57652956	0.020464255	-0.13254175	-0.31785876	-0.54539794	-0.13204414	-0.16730136	-0.28785494	-0.6188048	-0.5060989	0.3413401	0.48844367	-0.033102002	-0.017167374	0.46897566	-0.13916644	-0.44054824	-0.1256726	0.2651628	0.7362859	-0.114732094	0.16017388	-0.22996193	-0.6753548	0.9913956	-0.6748847	-0.53928065	0.19791898	-0.5302275	-0.2952253	-0.7028781	-0.82735384	0.35815915	0.3836145	0.62818277	-0.1714368	0.5358739	0.3973408	-0.4782345	0.00686464	-0.7351058	-0.29769114	-0.4741673	0.166154	0.2917633	0.5474828	-0.52055186	-0.04798129	0.1440012	0.38759044	-0.1708049	0.15123041	0.64364266	0.6240689	-0.6601993	0.24506494	-0.9238941	-0.974454	0.14292996	0.36303225	0.49765798	0.19947909	0.28944814	0.057579562	-0.43611228	-0.99943197	0.10114085	0.136334	-0.9186103	0.23161057	-0.3584366	-0.69224435	-0.05380581	-0.6336432	-0.76709163	0.12977384	0.4002275	0.5857665	0.5456576	-0.4070715	0.98793834	-0.096098356	0.40253538	-0.3224025	0.17856704	0.2713422	-0.22592147	-0.3699106	-0.30733645	0.9795191	-0.9496809	-0.8248533	-0.25536975	0.37115598	-0.7916777	-0.55000865	0.23637493	0.42649868	-0.27628464	0.23941037	-0.42144474	0.20775896	-0.78472376	-0.4821996	0.99571145	-0.22819646	-0.49693903	-0.7141685	-0.25234455	0.42505118	-0.4185446	-0.34559193	0.3790203	0.33961886	-0.13091305	0.9986266	0.71027106	0.041954134	0.16852406	0.5603092	-0.3413177	-0.9671301	-0.13443696	0.38014394	0.21363352	-0.58172387	-0.99999833	-0.4471481	0.9029485	0.36296704	0.46414503	0.12241872	0.35154346	0.28028965	-0.30568796	-0.22299302	0.35485244	-0.7077438	0.32144815	0.34229422	-0.008489643	-0.47836077	0.79616094	0.84788996	-0.45856136	-0.24228898	-0.9358714	0.08652864	-0.020186469	-0.59714556	0.3396305	-0.03287564	0.25114277	0.4310202	0.3476782	-0.8126436	0.25013477	0.58032304	-0.49191892	0.3239808	-0.53227603	-0.52375567	0.28791723	0.43224278	-0.45282242	-0.5305635	-0.5080992	-0.6100077	0.26546383	0.24778807	0.38742176	0.68918854	0.36137938	-0.07020555	-0.22066842	-0.40341532	-0.40652794	-0.15622085	-0.005675511	-0.16772035	-0.3973432	-0.2732614	0.4036889	-0.6618935	0.34140426	0.87471	-0.1923655	-0.04257897	-0.18025039	-0.3990097	-0.067553736	0.47147536	0.28362933	0.35606667	-0.10156499	-0.99968195	0.4065662	0.7918543	0.40845641	-0.42685315	-0.112437345	-0.1478197	-0.124613516	0.28714374	-0.35609823	-0.1908127	0.6303201	0.2185135	0.75960183	-0.1356268	0.96084416	-0.56378025	-0.1109985	0.44464633	0.6623821	0.6644617	-0.030580701	-0.39059082	0.31715086	0.50110745	0.4298221	-0.57561207	0.2075423	-0.743612	0.08050238	-0.63331527	0.9216723	0.61290234	-0.03245756	-0.50702196	0.18557939	-0.22763535	-0.72517127	0.5512569	-0.5515127	0.7308981	-0.28642935	-0.6240679	-0.40990233	-0.011196182	-0.5087656	-0.40783307	-0.008004271	0.6198202	0.8049344	-0.08116531	-0.32556733	-0.314098	-0.0552717	0.10584722	0.08564638	-0.32646018	0.120625764	0.3455993	0.2498665	0.16915742	-0.5557688	0.98976225	-0.041432768	0.60462385	-0.066074505	0.55089706	0.097255565	-0.88341165	0.4212619	-0.5013966	0.6210389	0.99900794	0.05001518	0.3461221	0.006310767	0.17271426	0.19671747	0.61352026	0.1972052	-0.48460987	-0.31105658	0.98902094	-0.027643647	0.09683187	-0.3226384	-0.8964634	0.99999964	-0.95975286	-0.04204359	0.21069148	-0.23180139	0.4360617	-0.07204474	0.35652986	0.87989193	0.07744999	-0.65628034	-0.72415817	0.7331374	-0.23515126	-0.025739126	-0.49336895	-0.14233254	-0.10453702	0.5519387	-0.6043843	-0.25479385	0.5128254	-0.9713488	0.43730915	-0.6651138	0.024646655	0.098436125	-0.5091859	0.090099335	-0.2839302	0.31054932	-0.56418204	-0.5635474	0.13569026	-0.51500434	-0.14113829	-0.5529792	-0.29472536	0.1440682	-0.19216524	0.17171066	0.47731605	0.007234864	0.03495796	-0.45667276	-0.8452875	0.5705546	0.5785719	0.7171623	-0.59532315	-0.8968263	0.028816532	-0.52684397	-0.23018806	-0.9681328	-0.38667467	0.17143166	0.4481196	-0.20667076	0.19333221	0.26928157	0.99985754	0.08592708	-0.17309965	-0.67317075	-0.088162005	0.09363654	0.5022066	-0.36917746	-0.20828432	0.11603593	-0.18517198	0.21053168	-0.70951706	-0.33220798	0.41141513	0.17952693	-0.31627077	0.47128057	-0.99756366	0.0338383	-0.6309418	0.48337853	0.09724997	0.19266404	0.55218846	-0.5723123	-0.41259235	0.41308397	0.5092914	0.2385431	0.264385	0.275397	0.122281834	0.4243503	0.5525541	-0.21212606	-0.08354118	0.09711942	-0.49516222	-0.6177386	-0.3067103	0.5109143	-0.17425518	0.09835917	0.36188605	0.13124566	0.43961412	0.756551	0.32233888	-0.6191664	0.22858264	-0.556471	0.5515452	0.44665244	0.37447935	-0.117381014	0.5216038	0.1434532	0.35011223	0.99995035	-0.30916706	-0.90715677	-0.09470922	0.9985206	-0.7201952	0.18767577	-0.9988414	0.62150717	0.14927493	-0.40616152	-0.4887365	-0.42485228	0.42716593	-0.17465262	-0.002770592	-0.3161822	0.098733135	-0.5434098	-0.41845068	-0.19224516	-0.34280205	-0.9999763	1	-0.64950776	-0.50421166	0.65022916	-0.32355925	0.86523736	-0.19557545	-0.41442502	-0.5272137	0.38044062	0.21028161	-0.35661492	0.16563632	-0.73363435	-0.64490527	-0.3928925	0.13664089	-0.7192835	-0.18420167	-0.999902	0.20542936	-0.7086016	-0.58177817	0.50191855	0.34492388	-0.8440879	-0.32636842	-0.38127217	0.16188848	0.19380651	-0.26365	0.138282	0.9265104	0.024663486	0.81296784	-0.12457996	0.18480544	0.1990881	-0.21936506	-0.69878733	-0.79117066	0.010958143	-0.4087173	0.037997644	-0.4120248	0.57234144	0.061478365	0.67184794	0.10405829	0.08562568	-0.07571716	-0.83010715	-0.031262007	-0.23076193	0.96746045	0.5893724	0.026337948	0.5152436	-0.06534477	0.5879208	0.9997754	0.37501764	0.44946784	0.08932011	-0.24121304	0.43606153	0.31037632	-0.99106085	-0.36211064	0.33700177	0.11284518	-0.08783841	0.33378178
262	1	Cc1cc(C2CC2)nc(Nc2ccccc2)n1	-0.5272384	0.23796517	0.36678123	0.59237146	-0.50429535	-0.4872687	-0.6451016	0.18208894	0.43839782	-0.6777994	-0.10407344	-0.21840464	0.18743499	-0.31382778	-0.38763377	-0.06862144	-0.12238385	-0.088332385	-0.2524537	-0.5494401	0.54552126	-0.21121566	-0.16787575	-0.10453196	0.06662962	0.3153065	-0.21959834	0.353589	0.40930507	0.17850843	-0.43000472	0.57907695	-0.53273475	0.10998527	-0.09400498	0.22126196	-0.5098119	-0.1501136	0.9244255	-0.9242044	-0.9937185	-0.37749618	-0.1775361	-0.5536117	0.39968988	-0.9695386	0.40887383	-0.05458279	0.28245172	-0.4421785	0.0818574	0.53324395	-0.25133517	0.07814078	-0.74590075	0.3758112	-0.41957194	0.7484116	-0.006021889	-0.46063766	-0.4650482	-0.2765093	-0.097625606	-0.060951676	-0.25464582	-0.16581921	0.5742511	0.19848916	-0.29953918	0.41044477	-0.6081816	-0.92639315	0.227186	-0.7471801	0.4774036	-0.42280272	-0.005563043	-0.69292593	0.11599696	-0.9982434	-0.17634366	0.1798912	-0.90054685	0.63422424	-0.05461905	-0.77463186	0.08090721	0.31237695	-0.5447149	0.17144454	0.43715855	-0.34130886	0.28091362	0.38100755	0.95173836	-0.29784423	0.7579865	0.08375655	0.10911489	-0.2155528	-0.31851056	-0.3797762	0.2625975	0.9510154	-0.22452733	-0.940505	0.34884608	0.1932025	-0.91086096	-0.36584178	-0.2784524	-0.27831423	0.31012997	0.23721305	-0.022416936	0.10365499	-0.09789953	0.28797188	0.9986283	-0.02409792	0.2289507	-0.58461165	0.5852108	0.27627954	-0.49477527	-0.36716774	0.3018548	0.22345449	-0.2672712	0.99943846	-0.69187254	0.18116084	-0.11329604	-0.5098793	-0.35155642	-0.9631714	-0.3434595	0.71846396	-0.33955872	0.42066187	-0.9999972	0.17300844	0.9689592	-0.33700636	0.3153951	0.2048181	-0.00789813	-0.22233541	0.86596787	0.3154923	0.25802106	0.16907047	-0.33520648	0.11142223	0.15145598	0.18029931	0.5168946	0.9881518	-0.27430215	0.29786262	-0.9838295	-0.42290416	-0.05086435	0.25510687	-0.044542767	0.18978383	-0.12536003	-0.027814616	0.3632026	0.22065425	-0.19668266	-0.40921676	0.41626558	-0.36154774	0.18933186	-0.745895	-0.002357487	0.3443351	-0.7710978	-0.72785807	0.19682471	-0.06285766	-0.59195244	0.429615	-0.8014374	-0.25573254	0.27799264	0.2320136	-0.5735355	0.35934064	0.88647556	0.30933368	0.47145483	0.2902387	-0.20621872	-0.50980365	-0.62385	-0.72484225	0.6093899	0.2534339	0.50840324	0.29826173	-0.688137	-0.14336063	-0.29777625	0.10116637	0.08668303	-0.3576893	0.74111307	-0.99731594	0.17368229	0.57645154	0.2717268	-0.35202137	0.30726236	-0.37907034	-0.54090595	-0.4417636	-0.27929655	0.30799016	0.3563816	0.16111489	0.21046907	-0.045281667	-0.9765449	0.22712289	-0.09999287	0.5963251	0.3084702	0.6055872	-0.21396805	0.23411606	0.56374055	-0.18558958	0.21175976	-0.15885273	-0.29262626	0.48312438	-0.11524075	-0.007324322	0.94130075	0.18910663	-0.40903816	0.22643699	0.41035664	-0.38141295	0.16013975	0.18718645	-0.1049547	0.4579584	-0.45525295	-0.69240636	-0.0777519	0.016315434	0.18407996	0.10425696	0.119514205	0.38775864	0.775493	-0.06270647	-0.1110226	0.31110454	-0.30918738	-0.36538237	0.5011362	0.2997782	0.17476682	-0.3594431	-0.021456258	-0.16888267	-0.27480432	0.8827425	-0.6841844	0.31970137	0.33669767	-0.046495426	-0.010821152	0.014269664	0.036305968	0.5308096	0.50012857	0.99973226	-0.041795958	0.5920278	0.2908915	-0.022290623	0.46182704	-0.36039543	-0.3259174	-0.63775545	0.3626737	0.9979548	0.33524528	0.21644951	0.30051363	0.12426307	0.999999	-0.98421776	0.22620143	-0.04752865	-0.42482945	0.47234264	-0.5092489	0.06413806	0.86030084	0.92034703	0.7591691	0.6450622	0.40730116	-0.44189468	-0.43512174	0.2943415	0.5722822	0.10362336	0.88327813	-0.5241598	0.254485	0.1534239	-0.95744985	0.41078842	0.12132134	-0.015475644	0.301136	-0.7141347	-0.3760252	-0.47508785	0.69240505	-0.8784811	-0.12425279	-0.13667251	0.2694486	-0.6567388	-0.34414652	-0.64300865	0.20765969	0.3487294	0.50582194	-0.5445297	-0.1979789	0.593351	0.37831423	-0.15992504	0.39897415	0.43261814	0.63236874	-0.18030833	0.10723355	-0.08175058	0.27716994	0.37414217	-0.99584264	0.59283906	-0.55316144	0.096783035	-0.07957897	0.06236342	0.08239252	0.99932116	-0.28321126	-0.44811848	-0.27330968	-0.6839941	-0.15560491	-0.61536586	-0.6414783	0.39679816	0.4272669	0.036063246	-0.40022683	0.26562202	-0.16324961	-0.5272012	0.39878416	0.23438679	-0.035021294	-0.98329246	0.34726557	0.16026634	0.11984474	-0.36391342	-0.20645091	-0.30424106	-0.30394337	0.1100178	-0.5160694	0.18690136	-0.45238823	0.068593375	0.13810138	0.5748876	0.6009193	0.70092463	-0.482745	0.081008725	0.45381385	0.47971544	-0.2704137	-0.042622905	-0.004790828	0.07381916	-0.6454636	0.13467114	0.4215897	-0.22002847	-0.5110519	-0.32291797	-0.09958252	-0.3639156	0.08613672	-0.23218298	0.69292927	0.037337624	-0.40110028	-0.116993606	0.114134856	-0.445752	0.9999658	0.10911659	-0.9567173	0.52025473	0.99795824	-0.11172536	0.28167254	-0.9990025	-0.09956819	-0.36892578	0.15727562	0.29143816	0.2744739	-0.12724432	0.009444659	-0.21499395	-0.08469463	-0.1435649	-0.65143836	-0.21170148	0.58592194	0.24979295	-0.9999877	0.99999964	-0.92757595	0.4590361	0.7281168	0.24159338	0.06664166	-0.541037	-0.5572365	0.3365464	-0.04168013	-0.40718824	-0.44733667	-0.56695753	0.39387053	-0.09854741	0.104871474	0.22296171	-0.5355735	-0.8548711	-0.99997437	-0.46256733	-0.6444941	-0.31569794	0.20188653	-0.41240525	-0.9739084	0.66042346	0.33530745	-0.12727533	-0.6573328	-0.15946837	-0.40232965	0.95918643	0.1673867	0.91500795	-0.19294469	0.46092814	-0.2557044	-0.38181412	0.6296217	-0.60098046	0.3694849	-0.34652925	0.7453695	-0.3459767	0.7654905	0.7205512	0.068221144	0.34833562	-0.4006951	0.17782375	0.22325256	-0.6960865	0.32319617	0.66466665	-0.11866425	-0.2929445	0.48788822	-0.21602727	-0.4078924	0.99983466	0.51799256	0.6166128	0.6848732	-0.08854752	0.13837373	-0.33903247	-0.87212414	-0.28574306	-0.73225355	0.028018586	0.122453526	-0.19257574
263	0	CC(=O)OC1(C(C)=O)CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C	0.7834817	-0.022844508	-0.5223411	0.04492677	-0.63188165	0.30776307	-0.11433434	0.49966794	-0.032727525	-0.01087988	0.41561112	-0.080731705	-0.4512857	0.54604185	0.13645652	0.023425989	0.37321252	-0.7067614	-0.27171597	-0.4187018	0.24009871	0.18808998	-0.59611666	-0.17156579	-0.29941773	0.6508378	-0.36904615	-0.61376333	0.29762578	0.34021083	-0.06181546	0.04357685	0.19901478	-0.87525827	0.4647815	-0.106516466	0.39798936	-0.19470535	0.99988455	0.35267317	0.6248304	-0.04491827	0.18471302	-0.30566043	0.3209253	0.9130266	0.62174237	-0.60003406	0.99685407	-0.9138717	-0.067101024	0.71705556	-0.2742683	0.17171621	-0.6094367	-0.1073156	-0.4129852	-0.9425627	0.24594136	-0.45598596	0.6234618	0.24852514	0.5845864	0.20217662	0.5292622	0.31650266	0.7833352	-0.5630846	-0.5013026	0.4611805	0.1975025	-0.3853081	-0.4825608	0.9115237	0.30822787	0.81467885	-0.5935115	-0.2873954	-0.036151323	-0.9999381	0.262787	-0.40795413	-0.7946206	-0.65941834	0.3703547	-0.9136234	0.35347116	-0.14376482	-0.7749362	0.5438843	0.36982697	0.5096808	0.11202232	0.12907322	0.9982821	-0.06683727	0.6075131	0.059643574	-0.20764029	-0.70990527	0.41467252	0.5638084	0.27462426	0.7618064	-0.9999178	0.122737944	-0.56583524	0.31714666	0.9866425	-0.07658762	-0.1630092	0.13905919	0.3661102	-0.6704973	-0.3423429	-0.005661311	-0.6022171	0.507704	0.56174517	0.10514171	0.28126264	0.48687664	-0.4724447	-0.60681665	0.07936304	-0.037648335	0.7473953	-0.05151336	0.27232265	0.99985003	0.39552498	-0.10640552	-0.080634385	0.2786827	0.42295706	-0.97680813	0.6759964	0.026439425	0.53159434	-0.64784616	-0.9999621	-0.5854308	-0.18533199	0.5008928	0.5902943	-0.61345106	-0.16651414	0.49912956	-0.9998095	0.5521164	0.3786122	-0.9533093	0.82947624	0.0760172	0.06996973	-0.61645854	-0.47067785	-0.99236065	-0.8262369	-0.9433264	0.42901707	0.17814371	-0.032589693	-0.022728618	-0.36914742	0.66322654	0.30891293	0.3297574	-0.2069228	0.6875115	-0.4110306	-0.2511069	0.05926832	-0.5276199	0.08646914	-0.88692826	0.7588497	-0.34497684	0.45299375	-0.04949648	-0.21739624	-0.9508867	-0.0956606	-0.43065944	0.95056134	0.003979354	0.03374526	-0.7204358	-0.39260247	0.37784863	-0.7891367	0.34680972	-0.6484506	-0.47336373	0.4727811	-0.009022559	-0.7846849	-0.8248031	0.21920967	0.062424973	-0.019529397	0.07619672	-0.29635367	-0.71883273	-0.4587229	0.13270737	-0.22397693	-0.659535	0.30635026	-0.9999719	0.29809126	-0.7426873	0.277692	-0.7590185	-0.12832595	-0.05013835	0.4458339	-0.46666434	0.13198054	0.11678349	0.26676205	0.28420344	-0.73052406	0.33625457	-0.9160187	-0.27309287	0.4959576	0.48275197	-0.7215193	0.21230164	0.61609256	-0.44877335	0.15230855	0.062117327	-0.24129897	0.40544823	0.25550354	0.11088174	0.39516795	-0.3343591	0.88893616	0.53220254	0.5970727	0.059394415	-0.87266445	-0.122015126	-0.3634907	0.4924435	0.29498783	-0.7813843	-0.049811583	0.23311031	0.7105362	0.036062997	-0.56246936	-0.7741221	0.39526945	-0.6703632	-0.028101282	0.22031134	-0.15291077	-0.0804353	-0.16265666	-0.6312465	0.72382045	-0.22609408	0.123241276	0.001382629	0.97541696	0.5096237	-0.042310107	0.9999574	0.5650113	-0.16402112	-0.2245299	-0.60091406	0.4527624	-0.9042939	0.32732624	-0.6494237	0.667114	0.88477707	-0.55691797	-0.31676835	0.06980361	-0.24302264	0.22479737	0.9627941	-0.28104058	0.1959512	0.52620727	-0.7363831	-0.6782011	0.54603034	0.1421045	0.20683119	0.99999857	-0.98928654	0.808997	-0.80898654	-0.5871574	-0.23374411	0.4140566	-0.6832714	-0.81590235	-0.96533275	-0.9990593	-0.4092117	-0.39195362	0.24557841	0.51180124	0.06487872	0.2352334	-0.81144464	-0.42508942	0.15177482	-0.40343216	0.20283352	-0.9998046	-0.25913867	0.16748242	-0.18519357	0.81573	-0.53637373	0.21178249	-0.04340765	-0.4078989	-0.66693145	0.14684054	0.420807	-0.045426298	-0.39932275	0.5903319	0.07952658	0.1128151	0.6993301	0.48622185	0.349429	0.31413212	-0.22867656	0.5142643	-0.68327993	0.77456623	-0.66259634	0.26615012	0.19006607	-0.5186007	-0.1319464	0.24067396	-0.98838735	0.19679284	-0.18039463	0.6330534	-0.4181423	0.22925583	0.69004387	-0.75587785	0.99927706	0.21383107	0.27411988	0.69294924	-0.10203383	0.117128424	0.10259209	-0.9071748	0.3363602	0.6386558	0.9428927	0.63119036	0.12229761	0.14898932	0.29872906	0.750132	-0.6958751	-0.20376563	-1	0.5998119	0.17258044	0.41542614	-0.65245336	-0.24911557	-0.7308023	-0.1329801	-0.2535728	0.008574108	0.027805563	-0.14682649	-0.37587774	0.21875453	-0.79382056	0.5808063	0.41189408	0.055686522	0.4541232	0.061370317	0.4485987	0.027655577	-0.013838632	0.6852502	0.110341504	0.94095385	0.88305634	-0.24409197	-0.457957	0.28915858	-0.25860038	-0.5892326	-0.37922803	-0.45912433	-0.18207575	0.021826312	-0.51348746	0.77474105	0.03401476	0.20611851	0.7420131	0.9999985	0.6053974	-0.9779503	0.29780835	0.9962899	0.22518149	0.11054213	-0.9999326	0.5521382	-0.66787195	-0.21761948	0.001777226	-0.049386233	-0.09806751	-0.28358212	-0.832348	-0.55710334	0.30773026	-0.33458325	0.3136949	0.33897442	0.27322972	-0.99966735	1	0.81310076	-0.6799039	0.59505963	0.75900006	-0.02178675	0.039366666	0.77435875	0.49295995	-0.63943356	0.1103558	-0.34351817	-0.35960245	0.27208164	-0.1737753	0.1944446	-0.51434976	0.037887745	0.98678833	-0.99391353	-0.30090523	-0.47879833	-0.25202784	0.40584952	-0.03261289	-0.3317361	0.2771167	0.4736093	0.5510902	-0.5731387	0.60797673	0.42640218	0.16896199	-0.45619866	0.49359387	0.019648485	-0.081925765	0.07829472	0.75803113	0.1687614	0.17606415	-0.41134635	-0.56334764	-0.99966645	0.34078667	0.054595035	0.65327144	0.273307	0.09279088	0.03899462	-0.9712908	0.29813984	-0.60676664	-0.524906	0.9996231	0.45063764	0.27937937	-0.2841077	0.67072004	-0.20361553	0.99977326	-0.092646815	-0.51150244	-0.050998	0.6811836	-0.10438937	-0.37129954	-0.99981505	-0.08752932	-0.026718425	0.744798	0.8142204	0.20688465
264	0	Nc1nc(N)nc(NC2CC2)n1	0.14533181	0.7779603	0.23805846	0.1756247	0.14116621	-0.2709162	-0.6021207	-0.034182787	0.51316273	-0.09250514	0.3315691	-0.4097264	0.40711495	0.46042004	-0.3360479	0.3370851	-0.30810276	0.291164	-0.48376438	-0.20607917	0.6534513	-0.5247161	0.4462367	0.26432747	-0.10023346	0.25979015	0.12839329	0.48082775	-0.017611772	0.19215247	-0.2034708	0.39973325	-0.58309865	-0.0930044	-0.029042935	-0.07599555	-0.38009068	-0.7116603	0.1433538	-0.7503945	-0.9008102	0.1700474	-0.35689652	-0.70927095	0.1975309	-0.99492395	0.6621849	-0.003857526	-0.49078202	-0.7507961	0.15719204	0.500963	-0.1257741	-0.546195	-0.58636236	-0.004222942	-0.2896584	0.92964464	0.18842436	-0.21161596	0.094945796	-0.27271336	-0.40772027	-0.5640079	0.22330704	0.17920658	0.72017616	-0.21098106	0.05651931	-0.47130767	-0.9684662	-0.9998623	0.13396497	-0.12877956	-0.56140023	0.5457273	-0.12769517	-0.48669457	0.3111083	-0.9945476	-0.7234811	0.39966756	-0.7954343	-0.14765713	0.5513797	0.8293147	0.3462271	-0.25344506	-0.0946463	-0.12702385	0.026894944	0.14024062	0.33246145	0.11695795	0.9978628	-0.33855337	-0.9170281	-0.05193739	0.12640405	-0.046852954	-0.20395036	-0.62368727	0.22955348	0.5029369	0.86190313	-0.98732877	-0.17365424	-0.42719284	-0.9999472	0.05304877	-0.6097752	-0.43917707	-0.5385864	0.2836771	-0.037739407	-0.6372015	0.22682124	0.19292253	0.9996326	0.1437142	-0.33598828	-0.5424317	0.42830005	0.15561314	-0.33701095	-0.6086901	-0.43446216	0.5235628	-0.358906	0.7490677	-0.61083287	-0.20997438	-0.19697037	0.13175103	-0.52040213	0.2327352	-0.76746327	0.1254455	0.44468072	0.5336346	-0.9999376	0.117972724	0.6851381	-0.5280354	0.058548782	-0.2221553	0.08647179	-0.825539	0.9888375	0.16048217	0.42097625	0.4476588	-0.6512971	-0.23490477	-0.02559569	0.22824049	0.42774248	0.9987133	-0.033721413	0.744934	-0.9947543	-0.0862175	0.045614526	-0.049208235	-0.53712523	0.07931715	-0.10312281	-0.23581542	-0.02932094	-0.5242026	-0.25472656	0.32712203	0.54538924	-0.6507638	-0.10534448	0.54666936	0.56600964	0.59127533	-0.8139532	-0.021049082	0.44621426	-0.98534614	-0.39004546	-0.07104533	-0.52609634	-0.40470168	0.5819243	0.3770609	-0.23152858	0.774223	0.9848938	0.39327052	0.2679831	-0.024778377	-0.21680582	-0.2566806	0.027805941	0.5315913	-0.31850645	-0.40135616	0.1959598	0.23481002	-0.42531088	-0.14901464	-0.021647334	-0.1137458	0.061721213	0.13145705	0.83555883	-0.9725853	0.38677365	-0.09219642	-0.16515586	-0.21058074	0.5989838	-0.18250445	0.27354938	-0.60392296	-0.29867202	0.4355301	0.06549641	-0.44746467	0.7748815	0.5842	0.9999138	0.36506847	-0.041096892	0.51140016	0.36185068	-0.135762	-0.1979375	0.26236024	0.007310591	0.06908834	0.47927523	-0.036224604	-0.4967326	0.615852	-0.022850635	0.64460206	0.8942488	0.18486035	-0.31246775	0.3000935	0.08019439	0.026018908	-0.0610363	0.7968857	0.044644516	0.30127293	-0.74055594	-0.9748211	0.48215246	-0.04253539	-0.009978897	-0.02011305	-0.19016859	0.24286859	0.058522947	-0.61654234	-0.10581374	0.3941405	0.5400426	-0.02091168	0.3945265	0.1320624	-0.5436437	-0.02215001	-0.9978973	0.31807598	0.24172524	0.34556076	-0.2921069	0.5601509	0.093416035	0.9055553	0.21593009	0.6647682	0.79989314	0.58413935	0.2396536	0.9997602	0.014492725	0.5945515	0.15187864	0.21109623	-0.3387251	-0.9905581	-0.97542894	-0.18454233	0.57647663	0.99971586	-0.3161633	0.39698762	0.4619606	0.28502256	0.9999545	0.44795272	0.3199801	-0.19642375	-0.03712843	0.64109325	-0.5126152	-0.011328566	0.91723716	0.95036584	0.99341625	0.42301175	0.059689395	-0.11722237	-0.21089937	0.08084241	0.81924295	-0.30881953	0.017854951	-0.059531663	0.3400437	-0.010730631	0.9996437	0.6415821	0.18142909	-0.2542117	0.35433745	-0.582864	0.1659964	-0.57882506	0.6570966	0.45664856	-0.015653329	-0.2763718	0.35791487	-0.63523227	-0.7221504	-0.22090375	-0.14760631	-0.97871435	0.61478776	-0.48325077	-0.2724377	-0.19891153	0.20371549	-0.37285575	-0.045894444	0.55807364	0.29444304	-0.55954593	0.3448427	0.12104809	0.40569866	0.8696819	-0.99259144	-0.21640193	0.27510422	-0.46054152	-0.23235779	0.1569827	-0.13467479	0.99310225	0.17942773	0.7419668	-0.03626033	-0.29357833	0.59289473	-0.0803701	0.7692543	-0.17086649	0.12547787	0.22827843	-0.7658989	0.62013716	0.016986784	-0.10221669	0.3533893	0.10870442	0.25081834	0.9986601	0.39544335	-0.5215359	0.17396006	-0.024716342	-0.071053736	-0.31044444	-0.18097603	0.21002385	-0.3924701	-0.13311301	-0.63685477	-0.32316002	-0.46372926	0.59031993	-0.1414588	0.4596984	0.33250794	0.65339714	0.30292332	0.13689521	0.4691603	0.8725298	0.21045057	0.88592714	0.7425758	0.27388695	0.4501588	0.18464904	-0.29532224	0.59496856	0.48845845	0.43473864	-0.059681144	-0.23446417	0.7707439	0.4074644	-0.304138	0.39886302	0.4624012	-0.36908895	-0.64975023	0.33230245	-0.97862333	0.2481204	0.99631095	0.14497136	-0.017323725	-0.7579847	-0.47147906	0.39313906	0.007320645	-0.07830574	-0.50908655	-0.3595059	-0.1005768	0.9073286	-0.22616987	-0.5080808	-0.90578395	0.025526747	-0.07391495	0.62129235	-0.9999749	0.98449606	-0.99483883	0.22683035	0.381785	0.2878361	0.33384937	-0.090459354	-0.5472111	0.31571147	0.13554807	-0.021276643	0.33645466	-0.45438433	0.54158944	-0.034406926	0.5831127	0.38763174	-0.14768514	-0.98900133	-0.9999687	-0.4656859	-0.4777536	0.41984722	-0.49806413	0.045131233	0.6907088	0.6149193	0.6969861	-0.18803829	0.357496	0.2887097	-0.39274538	0.83677536	0.07153046	0.7612344	-0.27315667	-0.3643966	0.1239698	-0.4707014	-0.018467184	0.25840297	-0.5214606	0.9383301	0.39509898	-0.093940556	0.16716307	0.38555613	-0.2501416	0.5758988	-0.01529758	-0.09194913	-0.34948036	-0.48208666	-0.05684128	-0.677124	-0.02660683	-0.29452077	-0.07529359	-0.57727355	-0.45168588	0.99994946	0.100086965	0.0837288	0.56417465	0.53107363	0.50422174	-0.047235172	-0.35470444	0.000264429	-0.95550764	-0.76388913	-0.8128471	0.10403596
265	1	Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1	0.33214	0.09368061	0.6000084	0.19287103	-0.3193681	0.30796343	0.18582049	-0.51079416	-0.073173836	-0.46655175	0.4447775	-0.541217	0.06878927	0.16195957	0.62101185	0.5710613	-0.17965254	-0.65102834	0.55796605	-0.68552107	0.5961275	0.12970693	0.65300256	0.12642704	-0.48171884	-0.11417983	-0.41620576	0.65828586	0.15595944	-0.042667527	-0.1766776	-0.41397113	-0.3194568	0.36495075	0.17723672	-0.6881091	-0.29777652	-0.24494936	0.97254676	0.120072134	0.82345456	-0.26869634	-0.56536597	-0.67593926	-0.34742913	-0.95863354	-0.4670924	-0.17878081	-0.7859933	0.12838815	0.07002266	0.43955088	0.48388076	0.2238751	-0.03919079	-0.29676762	-0.016510248	0.34538805	-0.023019088	0.01706725	-0.26119798	-0.12105431	-0.6653054	0.069902174	0.05736173	-0.3746313	-0.057473365	-0.7935585	0.12750155	-0.65271205	-0.9523139	-0.9999959	0.42262864	0.15771805	-0.57790875	0.65750617	-0.03293239	0.36955538	0.5909476	-0.9942897	-0.8877993	0.5275334	-0.9416009	-0.5636315	-0.33894962	0.9641538	0.31335732	-0.42471012	0.12873988	0.19482982	-0.41670388	-0.05951934	0.70505106	0.35303327	0.99966645	-0.29653963	-0.9779298	-0.35304803	-0.47942775	-0.09621389	-0.3576244	-0.3680493	-0.6634481	0.5411436	-0.7342283	-0.932245	-0.056119498	-0.000499763	-0.9999993	0.083187744	-0.10807141	-0.09915496	-0.51379013	0.47952837	0.2121354	0.43979535	0.29410645	-0.3354746	0.9992185	-0.6804826	-0.46948364	0.1267952	0.45330316	-0.04857662	0.727723	0.56417763	-0.33996257	0.30481952	0.23212884	-0.07983083	-0.47358048	-0.589535	-0.5243278	-0.10083841	-0.21714845	0.99070704	-0.56836355	0.63652843	-0.5144053	0.25296652	-0.99998075	-0.19063182	0.20543927	-0.66377896	0.5543911	0.6218787	0.24451086	-0.5104521	0.4518068	-0.012058861	0.19207212	0.018761348	-0.6502767	-0.7538341	-0.015235719	0.6362436	0.16259179	0.96484476	-0.28605112	-0.4539443	-0.986172	0.7216552	0.21095814	-0.06492325	0.34222513	0.345779	-0.7431027	0.26074797	0.25521067	-0.03749419	-0.34797713	0.25222307	-0.35877556	0.3643702	-0.6928275	0.5376003	0.23430778	0.55024713	-0.48533997	-0.15738465	0.3990577	-0.9990146	-0.5977084	-0.008032055	0.83851016	0.004652923	-0.34874195	0.45751953	-0.05617654	0.22832294	0.9126152	0.777436	0.19589244	-0.23960757	-0.05316982	-0.60349935	-0.037789673	0.8530123	-0.5051244	-0.6518378	-0.815064	0.2555282	-0.65161765	-0.23926064	-0.3255336	-0.30966067	0.5332511	0.79112345	0.5774833	-0.99893725	-0.2989214	-0.6157776	0.2802221	0.32138214	0.21788816	0.33354762	0.13414384	0.5049055	-0.21454988	0.0915886	-0.2812134	0.3145565	0.9662055	0.10543543	1	0.41254324	-0.30609822	0.24583803	0.5694216	-0.01490893	-0.5107992	-0.2279101	-0.2476796	0.18664896	-0.65992844	0.003216594	-0.78490204	0.444328	-0.16751607	0.14292143	0.6622395	-0.24860375	-0.45589438	0.18656147	-0.7519346	0.2825079	0.061074205	0.15513746	0.46267426	-0.2592946	-0.5961392	-0.9731143	-0.30631962	-0.15571377	-0.016614588	0.2521288	0.6191619	-0.08325052	-0.18421464	0.6350276	0.54489243	-0.0919502	-0.11486672	0.23631828	-0.18605407	0.18713006	-0.40957454	-0.2617575	-0.9962316	0.51916236	0.047131807	0.9944059	0.5934372	-0.33871242	-0.27328742	0.7724296	0.6170202	0.6999721	0.4938103	0.12313995	0.28406453	0.998447	0.4360182	-0.663763	-0.46756342	-0.34586057	-0.36107987	-0.9931959	-0.9989728	-0.32072535	0.6123888	0.9968703	-0.20305069	0.6454386	0.24291085	0.06102873	0.99998605	0.9078233	-0.29915413	-0.09715724	-0.6016392	0.6340937	0.19487168	0.23963395	0.64534444	0.7877374	0.6131549	-0.4718429	-0.2457634	0.01616008	-0.03238723	0.19522609	0.68150395	-0.86892265	-0.7936036	-0.55079895	0.16997309	-0.34802896	0.99999803	0.28143862	0.59055614	-0.3405733	-0.16470432	0.45759857	-0.12274814	-0.42997783	-0.9224137	0.9920383	-0.50378597	-0.13678157	-0.031133166	-0.82906836	-0.6328896	0.019922668	-0.11675082	-0.99932885	-0.6825904	-0.01950519	-0.2665664	-0.16964664	0.11050684	-0.71775824	0.002702408	-0.18834475	0.5074984	0.3487263	0.28784165	-0.047871742	0.18784863	0.4263242	-0.92794365	-0.12725644	-0.18292642	0.28001162	-0.16236031	0.043766234	-0.03594489	0.99857616	-0.022670198	0.99352527	-0.8057038	0.39427385	0.83783054	0.2116378	0.89543563	0.1540645	0.20087306	0.070061296	0.44812155	0.17715374	-0.13541338	0.27333814	0.47267434	-0.51791805	-0.00543458	0.99778616	0.054231603	0.29242152	0.23054075	0.20762601	-0.008822719	-0.2591986	-0.06319959	-0.19325493	-0.28150707	0.07016385	-0.039193157	-0.59075624	-0.5197567	0.21107024	0.39003307	0.08989013	0.4027385	0.5863453	-0.48661113	-0.6553972	-0.16298664	0.9290677	0.47373867	0.86438274	0.97467935	-0.6680674	-0.5595935	-0.036990594	-0.013453373	0.18209627	-0.25846133	-0.72353566	0.043817405	-0.060643695	0.015773352	0.17176543	0.3559442	0.42018282	-0.031501118	-0.13542767	-0.9997052	0.2314592	-0.93383086	0.08347841	0.99910957	-0.3435096	-0.17178649	-0.050998464	-0.475089	-0.022124475	0.11494249	0.002149355	-0.15753895	0.09833619	-0.69507533	0.97791797	0.26946327	-0.69375396	-0.5590091	0.063840926	0.4906185	-0.124108635	-0.9999548	0.9963073	-0.9688384	-0.5060054	-0.22167227	0.9366131	-0.5690746	0.36098096	-0.3339607	0.054032736	-0.26639852	0.60865164	0.26818717	-0.008781453	0.19474483	0.018937102	0.59692144	-0.487767	-0.25363156	-0.85535544	-0.999916	-0.74687356	-0.26191103	-0.31484768	-0.5666319	-0.046740487	0.9887867	0.66316867	-0.816412	-0.18576065	0.16227862	-0.643346	-0.561038	0.95585644	-0.00132025	0.42774862	0.15439005	0.42668787	-0.14730881	-0.21580681	-0.15673938	0.48411432	0.17224418	0.97608	-0.90326005	0.51529646	0.051734418	0.044929832	0.16452529	-0.06673557	0.04823438	-0.095191844	-0.7104762	0.47114184	-0.53108007	0.73273534	0.62875414	-0.19050728	0.41019118	0.424569	0.09093157	0.99998647	-0.08134504	0.28089774	-0.2141163	-0.3389637	0.47630486	-0.10075735	-0.9882646	-0.83045036	-0.67407966	-0.7877716	-0.25586677	0.70755994
266	0	OCC(O)C(O)C(O)C(O)CO	-0.8844894	-0.20723198	-0.058405902	0.26216835	0.5462524	0.031370725	-0.16680884	-0.4724267	-0.7936284	-0.24786432	0.007675999	-0.047458213	-0.42607725	0.093931094	0.8273672	0.85603964	-0.66517526	0.017173212	0.111963935	-0.32915208	0.021187762	-0.8904801	0.71856004	-0.13170858	0.16984056	0.3283499	-0.004719814	0.36185798	0.81666154	0.48108882	-0.12948023	0.06934222	-0.15893632	0.08595645	0.63927466	-0.75900424	0.14897034	0.467309	0.40147063	-0.0796382	0.66903687	-0.5087149	0.4786281	-0.6718943	-0.005880457	-0.99517226	0.40547094	0.19487178	-0.40064985	0.6195839	-0.18499003	-0.058397878	-0.579287	-0.19689694	-0.12523451	0.24349727	0.003909113	0.8872121	0.13156004	-0.19607615	-0.078454465	-0.41297132	-0.47454366	-0.23806044	-0.018025167	-0.038682424	-0.2919296	-0.7879317	-0.47640085	-0.16080552	-0.7661864	-0.9999966	0.36270747	0.9577754	-0.5860481	0.4307171	-0.40232497	0.27132487	-0.039696228	-0.96420884	-0.99567634	0.22113779	-0.17255433	-0.50762385	0.2974155	0.9955309	-0.06015387	-0.28222448	-0.07609865	0.17237559	-0.2959583	0.6560941	0.12761608	0.07304301	0.9947517	0.29265526	-0.9859504	-0.49031714	-0.099376	-0.42604753	-0.7004255	0.2029955	-0.45260072	-0.66159236	0.749662	-0.11944513	0.59249157	0.54876757	-1	-0.7500952	-0.15401872	-0.2701814	-0.85798496	-0.08771815	0.29051188	0.67555255	-0.14030686	0.17881627	0.99955285	-0.14630148	-0.39282498	0.0639112	0.35683876	0.004713107	0.47106946	0.60809875	-0.600281	-0.11586455	-0.06725722	-0.6117514	0.7431226	-0.6717032	-0.47144368	0.21650879	-0.4393188	0.9990519	-0.347599	0.591122	-0.5396457	0.25765577	0.9999098	-0.20782751	0.7473092	-0.058321897	0.80127	0.004725719	0.5448459	-0.6671739	0.9556193	-0.28190333	0.053072575	-0.51778543	-0.022528226	-0.51637775	0.19055723	-0.72461253	0.50199616	0.9972601	-0.6841308	0.8989628	-0.99325967	0.25912043	0.44481158	-0.19364351	0.84197676	0.23765701	-0.56535333	0.65986866	-0.30470422	-0.40467444	-0.34444416	-0.71384376	0.2848679	0.40840307	-0.52426493	-0.8550801	-0.17989269	0.19115032	-0.5199456	-0.13399875	-0.07293967	-0.99455667	-0.42676917	-0.64515173	0.7914915	-0.06122362	-0.598222	-0.16791157	-0.4796635	0.7742977	0.93910134	0.28342646	-0.28490254	0.11498402	-0.21173115	-0.5690948	0.25502628	0.9671144	-0.7591175	-0.48781607	-0.8018322	0.58027637	0.1933797	-0.6957281	0.7731233	-0.45626125	0.63411933	0.95101243	0.23192464	-0.99455005	-0.405064	-0.24765736	0.52362096	0.3551358	0.2705515	-0.38427335	-0.3405912	0.5686976	-0.38494334	-0.33723718	-0.28957647	0.22190604	0.9234128	0.2712589	1	-0.5822931	-0.044280652	-0.49263218	0.27659842	0.25460178	-0.365418	-0.6372477	-0.43634146	0.06677688	-0.47931257	-0.3047581	-0.3102565	0.43120697	-0.3601165	0.3334301	0.6070446	0.3580567	0.001003143	-0.33901405	-0.9152115	0.14174925	-0.32897037	0.3667752	0.2742423	-0.7462507	-0.76868325	-0.99986756	-0.61304945	0.53281796	-0.14719136	0.27733564	0.32820588	0.30705965	0.41146356	0.605907	-0.38654184	-0.3340526	0.53097314	-0.44275498	-0.2493589	0.34136412	-0.52075446	0.65837216	-0.99908274	0.63899785	-0.6643139	0.8873069	0.8013342	0.3765133	-0.502909	0.8972155	0.259768	0.82612914	0.58434194	0.122779	-0.2473169	0.99867284	-0.23518397	-0.17683886	-0.47261688	-0.39877915	-0.88691664	-0.99988985	-0.9999148	-0.30687907	0.45202348	0.999454	-0.37565917	0.733753	0.26108974	-0.31478694	-0.9997404	0.9709839	0.022153175	-0.14274698	-0.29063854	-0.36573786	0.18117586	0.42662433	-0.30529338	0.12677151	0.98963195	-0.05801037	0.10059833	0.3081771	0.18006337	-0.4893643	0.44013777	0.032751705	-0.5654621	0.42263353	-0.38484663	-0.48224625	1	0.6190643	-0.4219148	0.2815432	0.40120316	0.7052008	-0.7619027	-0.45264202	-0.6032432	0.9784171	-0.28667232	-0.4842222	0.11706545	-0.13950759	-0.8255598	0.61417025	-0.040121034	-0.9994904	-0.24762587	-0.53940356	-0.4828896	-0.4753382	-0.3295638	-0.08785327	0.4405302	-0.065606	0.43761075	-0.4964218	-0.32781836	0.16456628	0.11831085	0.9300782	-0.9409473	-0.8197623	0.493729	0.20167306	0.059637506	-0.15025322	-0.33930507	0.99947923	-0.056203272	0.9941715	-0.2196812	0.7283009	0.8177942	0.045031928	0.92131865	-0.2779891	0.002274053	0.8049525	0.1714349	-0.47830677	0.4430916	0.51293707	-0.10636319	0.6968474	0.33116663	1	0.61476696	-0.44576725	-0.072967276	-0.7779359	-0.7767877	0.37568063	-0.6971505	0.39812905	0.35570076	-0.68731004	0.000158621	-0.22417197	0.1823715	0.1676463	0.008632056	0.51658124	0.13365927	0.27830046	-0.24329214	-0.9615272	-0.46415576	0.96053123	0.2544505	0.9498559	0.846396	0.28703824	-0.65669715	-0.070932895	0.050133757	0.3656246	0.116199836	-0.8131217	-0.43155584	0.5233474	-0.5632705	0.26898992	-0.11729705	0.049977534	0.80041885	0.016800903	-1	-0.22071624	-0.9626059	0.44263208	0.9993171	-0.7390834	-0.2105422	0.9656454	-0.18195255	0.901752	-0.4687709	-0.26030934	-0.65386015	0.041083045	0.19722241	0.9128303	0.08246028	-0.5272627	-0.7761469	-0.6964959	0.3821551	0.3670404	-0.99987465	-1	-0.9959847	-0.34143415	0.2523437	0.942587	-0.22780286	-0.84158003	-0.47402227	0.4724597	-0.31003553	0.55030644	-0.049797993	-0.3747778	0.10327784	-0.06897786	0.3827415	-0.12886393	-0.6853899	-0.9872306	-0.9998568	-0.6891463	-0.28692678	-0.59081984	0.22937799	-0.5329117	0.95099014	0.59342057	-0.90621907	0.03160264	0.4190645	-0.7456022	-0.06799182	-0.9597348	0.32532853	-0.5952323	0.16761617	0.7721775	-0.1471343	-0.9783658	-0.42033657	0.8125289	-0.23835608	0.9882694	-0.9855038	0.19540185	-0.7829392	0.3944309	0.68194497	-0.38855273	0.43269333	0.6683797	-0.7776735	0.2361889	-0.36747885	-0.63998103	-0.21576865	-0.2556123	0.8113182	0.33920094	0.6097418	0.9999383	-0.8099478	-0.665577	-0.48163962	-0.46951112	-0.35309848	0.04028401	-0.8062989	-0.61442393	-0.26652485	-0.8552019	0.2768347	-0.43232626
267	0	CCN(CC)C(=O)c1cccc(C)c1	-0.89605576	-0.17947616	0.20422785	0.36157614	0.145462	-0.30809575	-0.19225232	-0.55054855	0.20670104	0.084652476	-0.79325074	-0.3751867	-0.051744726	-0.63687754	-0.07672206	-0.02055349	0.17070049	-0.016216991	0.13638213	-0.43103856	0.0780655	-0.7436479	0.10977588	-0.34918845	-0.55969566	0.6928169	0.239345	0.14785202	-0.28194574	0.13525525	0.06546006	-0.2510101	-0.28039232	-0.71688277	-0.17934811	-0.53913003	0.21830451	0.74226946	0.67805517	-0.7693297	-0.99943334	-0.4364141	-0.407306	0.100626715	0.4844713	-0.9951962	0.28300297	0.508401	0.9483004	0.089656584	0.3558693	-0.72166187	0.37642556	0.099440694	-0.89673954	0.077179015	-0.43895662	0.8780431	-0.25165623	0.32344443	-0.21691968	-0.4768523	0.08550746	-0.51328486	0.4796638	0.6005707	-0.2462276	0.669821	-0.003111142	-0.20725758	0.33338082	-0.99186176	0.5728035	0.43347013	0.47050992	0.28962472	-0.33863264	0.2920886	0.3514562	-0.9997331	0.07635116	0.12005004	-0.86246216	-0.29047656	0.29542276	-0.003279607	0.008153062	-0.34134784	0.17231366	0.4332928	0.22805217	-0.08553632	0.35402304	-0.1700037	0.9136024	-0.19374335	0.3466917	0.23511398	0.27547345	-0.19936894	-0.042026374	0.23046923	-0.006268728	0.11587118	0.6614348	0.16643952	0.274655	0.18072361	0.9941956	-0.43246284	0.60341126	0.35858646	-0.26597726	-0.5116433	-0.22262453	0.33010757	-0.044253606	0.6125682	0.9993186	0.04482183	0.009289209	-0.35937554	-0.44061595	0.27911535	-0.16733116	0.42929438	-0.2433715	0.35657415	-0.17416973	0.9994788	-0.042360153	0.58824694	-0.4281805	-0.5793964	-0.36439836	-0.95131457	0.7355456	0.14368452	-0.7676475	-0.6099559	-0.99112713	0.37607306	0.98550004	0.105692	-0.3275997	-0.039444625	0.16283518	0.019165933	0.9825084	-0.5289883	-0.49256518	-0.025293583	-0.21049541	-0.03454842	-0.5530027	0.001276638	-0.38413355	0.997395	-0.3962938	-0.94976515	-0.9884378	0.30631584	-0.43403572	-0.278584	0.45862788	-0.17669274	0.33340183	0.2925029	-0.49930745	0.3005173	-0.34287357	-0.36518356	0.07900875	0.012665499	-0.56216013	-0.9764099	-0.7670435	-0.011858107	-0.03696557	-0.2625982	0.53858066	-0.26306388	0.18017775	-0.25220117	-0.91049486	-0.4906155	-0.19463944	-0.04900923	0.26637337	-0.46634445	-0.07705036	-0.10886274	0.69985276	0.25471187	0.27179456	-0.26786798	-0.6787755	-0.9102476	0.6100299	0.2722428	-0.09793309	-0.16500188	0.19220553	-0.1613971	0.12454244	0.000941567	0.07553413	-0.12734532	-0.27380666	-0.9872957	0.35879567	-0.50238556	0.38909826	-0.020605939	0.3095415	0.43088964	-0.4115888	-0.24157314	0.55282986	0.028567232	0.33157006	-0.3473777	-0.506253	0.03144414	-0.8868097	0.26877648	-0.29177678	-0.47355857	-0.10630786	-0.6103676	-0.28367618	0.2012374	0.4890603	-0.023832457	-0.43400645	-0.40307838	-0.1129176	-0.38391647	-0.53122693	-0.058238696	0.86254054	0.36128572	0.15522249	-0.55982566	0.08509148	-0.40890917	-0.2798899	-0.25659144	-0.1113198	-0.45694605	0.47980103	-0.9984032	0.29165524	0.073276095	0.60269654	0.5105833	-0.644893	-0.29740116	0.34647396	0.26400346	0.13026391	-0.064132735	-0.70852745	-0.14404027	0.33364308	0.39510888	0.26177347	0.104523405	0.5126316	0.046833746	-0.119840376	-0.6538069	-0.255302	0.36016932	-0.112650566	-0.7267382	0.6016098	-0.7623682	-0.7691132	0.2313132	0.3548222	0.9997388	-0.55482984	-0.34757504	-0.32768333	0.13160142	-0.41619697	0.5568663	0.97113144	-0.21753748	0.031749535	0.9993399	0.3218919	0.79220706	0.26439083	-0.30434272	0.99675703	-0.9573602	0.29439673	-0.396222	-0.2470287	0.064576164	-0.22077928	-0.2740191	-0.5314386	-0.45851746	0.9766069	0.09739473	0.45259812	-0.32654467	-0.5921921	-0.15008043	-0.1661241	-0.45486864	0.757491	-0.5194204	-0.3418249	-0.3041033	-0.9999891	0.34655583	-0.14605814	0.6974448	-0.27127743	-0.3136403	-0.3748981	-0.045787778	0.18407755	-0.95251113	-0.41573617	0.34153458	-0.62094086	-0.020318743	-0.15156135	-0.14259695	-0.4092802	-0.06329362	-0.000736294	-0.37141415	0.07782884	0.061070275	0.10578435	0.1296144	0.5908947	0.8104174	-0.13914847	0.21348293	-0.009872124	0.2617179	-0.001100761	0.8492935	-0.99727947	0.30915445	0.00652661	0.030362327	0.39124876	-0.46990618	-0.20739824	0.9993961	-0.70932776	-0.6529111	-0.092528686	-0.073169194	-0.42602456	-0.35913852	-0.7579559	-0.22370873	0.095682055	-0.4906665	-0.36296108	-0.021380564	0.17485476	-0.1758803	-0.28522047	0.9318166	-0.09968629	1	0.16394544	0.064065896	-0.08351645	-0.23533198	-0.761806	0.0991412	-0.08004463	0.23860818	0.27095076	0.23606879	0.131339	0.18933515	0.3712479	0.5500217	-0.17268994	0.23684904	0.3183973	0.03238305	0.21371256	-0.72629696	0.16027655	-0.5621848	0.7155148	-0.17191626	-0.8729582	0.13109854	0.11726349	0.13047609	0.21789101	-0.5197474	-0.5622106	-0.5499723	-0.6160251	-0.31603715	0.33654648	0.18849313	-0.41901717	0.31504843	-0.103560366	0.43649182	0.99999994	-0.23014404	-0.97644764	0.1808744	0.9998439	0.27746773	-0.83151037	-0.9999683	-0.4131921	0.22900976	0.50070035	-0.22230619	0.1764989	0.4680896	0.30631185	0.5651945	0.10900974	-0.19505818	-0.002173843	0.14604379	0.40387312	0.46331555	-0.9999826	-0.99974453	-0.9813029	0.5945083	0.6261227	-0.28419128	-0.16117391	-0.42004117	-0.8946156	0.16537331	0.24082775	0.14416416	-0.6653208	-0.06775448	0.32026488	-0.027386755	0.3746102	-0.044119474	-0.22008659	-0.96728605	-0.99996173	-0.19115134	0.4588528	-0.52502835	-0.10838357	-0.24879652	-0.98943186	-0.3346305	0.37593442	-0.000105411	-0.35496	0.5240271	0.45120612	0.94493115	-0.006131698	0.93887347	0.5338782	-0.012252504	0.043439567	-0.5677037	0.34709722	0.7604225	-0.006601234	-0.26245242	0.81959057	0.10269913	-0.26006842	-0.5304838	-0.049242374	-0.3194246	0.20741452	0.49236488	0.21959148	-0.13016824	-0.17000748	-0.296252	-0.26991528	-0.17797747	-0.28116643	-0.29880762	0.026413552	0.9997088	-0.035399064	0.23108155	-0.04359526	0.065301254	-0.18853013	-0.08691539	-0.100348	-0.16926287	-0.18560164	0.18961526	0.79907167	0.2989145
268	0	CC(Cl)(Cl)C(=O)O	-0.63068765	-0.16699362	-0.935019	0.29966983	-0.52291876	-0.4761418	-0.3530963	-0.30892977	0.03386899	-0.5680351	-0.4109703	-0.1710607	-0.5600402	0.07091743	0.4171396	-0.38793868	-0.5130501	-0.24592781	0.27572924	0.09133681	0.55015767	-0.86380595	0.31527537	-0.5163765	-0.0700693	0.16333035	0.10047555	0.034567464	0.47561687	-0.004322906	0.42885873	0.90700454	0.4113468	-0.23437804	0.271071	-0.2982234	0.19082402	0.6915231	-0.89921194	-0.81810355	-0.9936567	-0.43150815	0.14368284	0.16067174	-0.08246165	-0.99620515	-0.112400815	0.39777866	0.994666	-0.39306325	0.08100383	0.63868195	-0.3305174	-0.000112473	-0.9428732	-0.16631433	-0.4488292	0.9626201	0.15190919	-0.2805086	-0.0704256	-0.6880047	0.41481337	0.37676567	0.17180488	0.5629002	0.44011298	0.20886545	-0.06760781	-0.14074928	0.4147707	-0.9925368	0.05779676	0.86641794	-0.046765648	0.46708164	0.2150181	-0.16937509	-0.03962873	-0.99985194	-0.64981	0.33400553	0.16712438	-0.3482507	0.52284235	0.9205233	0.76877034	0.21505885	-0.54847413	-0.22877705	0.4634414	0.7072111	0.26487035	0.36284328	0.94687235	-0.3459894	-0.6976937	-0.24500337	0.53848517	-0.5284773	0.6082916	-0.32396704	0.4912274	-0.93099946	0.9902648	0.3312199	0.52870125	0.30274257	-0.8837215	0.23276104	-0.25799367	-0.16365162	0.010170831	-0.53880215	-0.02168475	0.34773526	0.024010867	0.06098149	0.9989961	-0.15925103	0.33516568	0.17748879	-0.28319922	0.20794535	-0.061855417	0.05161442	-0.28869075	-0.15418248	-0.52569675	0.99539506	-0.17379424	-0.56013507	0.5405805	-0.018574318	0.5494122	-0.28305873	-0.19438209	-0.3583911	-0.30080813	-0.11529626	0.9988408	-0.18887316	0.9828107	0.1174902	-0.6245494	0.6379818	0.590829	0.34528494	0.99738485	0.4420134	-0.21545056	-0.52435285	-0.40255123	0.008396343	-0.47075346	-0.39283958	0.060719907	0.99944097	-0.37885118	-0.88843656	-0.98719734	-0.23784973	-0.19725041	0.6075324	0.04824058	0.07597494	0.7876334	0.562185	-0.1145172	-0.04711888	-0.89685017	-0.22509418	-0.41441315	-0.15926643	0.53436506	-0.9689373	-0.7720684	0.0625876	0.16050074	-0.09176615	0.1153889	-0.8793481	0.19853772	-0.21675055	-0.875979	0.010628559	-0.003002679	0.49721187	-0.001682671	0.22565962	0.5453179	0.46173027	-0.33945993	0.2997825	0.34798405	-0.5039824	0.4990277	-0.076208554	-0.48240018	0.19653691	-0.77993447	-0.13106023	-0.5847591	-0.63934934	0.45387492	-0.06874305	0.27024877	0.70622164	0.06383855	0.3210991	-0.4802348	0.022519285	-0.031389352	-0.25551543	0.09075217	0.32822263	-0.085239634	0.1671831	0.0366762	0.086947136	0.14647079	-0.38111883	0.37872183	-0.0675934	0.993837	-0.33819738	-0.16014422	0.3915555	0.5318699	-0.3855037	-0.3062586	-0.3800849	0.336002	-0.4475738	0.40868825	-0.7620174	-0.04519004	0.47839546	-0.41719732	-0.18373528	0.8702733	0.613852	-0.024475247	-0.6785247	-0.123542406	-0.2179856	0.30880135	0.010239839	-0.5274292	-0.019589985	0.47146124	-0.9995902	-0.6279999	-0.10775107	-0.33697492	-0.38091967	-0.389834	-0.0435038	0.07146099	-0.35232532	-0.5770523	0.58596444	0.3582822	-0.41891208	-0.34524062	0.044719715	0.059501376	0.51704544	0.8612252	0.17641826	-0.45987952	-0.8155754	0.26300833	0.011170916	0.21018623	0.75139165	0.10177262	-0.77525306	-0.33054656	-0.42617178	-0.15140711	0.9986417	0.018188637	0.6684903	0.23167796	0.063323975	-0.7607685	-0.68976074	-0.15214315	-0.29568818	-0.054514058	0.9994585	0.05899974	0.75944364	0.18153618	-0.25481585	-0.9941361	-0.4997214	0.33489218	-0.10460114	0.21414381	-0.12979318	0.11987704	0.033865873	-0.24414614	0.08080925	0.99967796	0.40204978	-0.5276713	-0.075417235	-0.09750896	-0.17227343	-0.37467504	-0.31035984	0.16389279	-0.3801865	-0.000295497	0.017977437	-0.9806406	-0.17441948	-0.3024561	0.3920784	0.5753093	-0.3492883	-0.4156457	-0.45567366	0.39585137	-0.9591874	0.2732096	0.30332434	0.37509426	-0.006217377	-0.003007421	0.011377684	0.6477586	-0.19780621	0.072999336	0.02012334	-0.7539756	0.072606474	0.4895536	-0.80052984	-0.10133656	0.38037845	-0.3368451	0.4092507	0.21663693	0.11959117	0.09124456	0.981985	-0.990715	0.16778055	-0.048958004	-0.21623318	-0.021963503	-0.3422995	0.09888283	0.9297979	-0.41057804	-0.023552572	0.09202802	-0.098124065	-0.046634056	0.28310335	-0.30800536	0.4224355	0.6352824	-0.06115421	-0.15219656	0.1403238	0.26104254	0.031520672	0.212162	0.9711128	0.52720946	1	-0.08320254	-0.15225871	0.13306336	-0.7184826	-0.97462696	-0.08320906	0.24187095	0.053562827	0.3711945	0.007061672	0.2670595	0.43881848	-0.081268705	0.17886381	-0.20071329	-0.52905583	-0.17932837	0.10720063	-0.10813596	-0.39349738	0.11352995	0.62290335	0.7953944	0.5158032	-0.88584095	0.2324138	0.014871839	-0.46989673	-0.306257	-0.10742424	-0.72137105	0.44311014	-0.6058362	-0.01949886	0.6678904	0.6315912	0.1389274	0.43655607	0.6070942	0.15901111	0.99993545	0.033882063	-0.8851809	-0.035881586	0.98875725	-0.04996511	-0.41157585	-0.9965886	-0.26788345	0.789093	0.57805973	-0.000427186	-0.46306655	0.23080724	0.046481565	0.74435073	-0.22948357	0.147641	0.024892211	-0.22502115	-0.21192648	-0.06679153	-0.9999129	-1.0000001	-0.9984475	-0.1541988	-0.1119436	0.15657409	0.4374293	-0.43294144	-0.833771	0.45292732	0.3253824	-0.06159906	-0.32456544	0.000821918	0.37957624	-0.008569624	-0.01292293	-0.020185977	-0.13957311	-0.99707204	-0.9997864	-0.22477381	0.0518916	0.075239226	0.38066345	-0.09829514	-0.9130382	-0.48606527	-0.09033466	-0.025609652	0.37453637	0.2038493	0.60975385	-0.96822363	0.5811594	0.9586484	-0.34877324	-0.49937153	-0.27235216	-0.6819434	-0.4232294	0.047346674	-0.42083287	0.61143947	-0.8662312	-0.07373558	-0.15336373	-0.2722624	-0.03909427	0.53585017	-0.17595726	0.377686	0.18082325	-0.042379837	-0.037902646	-0.99184585	0.20044029	0.14789733	0.11093507	0.30607793	0.3436309	0.9997539	0.034547318	-0.37612104	-0.13130453	0.03236813	0.30155155	0.48865202	0.9332498	-0.2212993	-0.003637674	0.37205568	0.8670581	-0.066806465
269	0	CN(C)NC(=O)CCC(=O)O	-0.7339419	0.1675321	-0.7077542	0.08431324	0.009321358	-0.28331894	0.27946883	0.3127329	-0.19230653	0.6775351	-0.40306494	-0.08877519	0.09134263	-0.28955647	-0.06927356	0.7278769	-0.051308863	-0.30578932	-0.43118075	0.30426472	0.42327338	-0.85726976	0.26805383	-0.104149565	0.16999963	-0.023728201	0.24388762	0.10745339	-0.23527297	0.52968895	-0.040489886	0.52026397	-0.010958784	-0.30652592	-0.0262465	-0.3643008	-0.43541828	0.49133042	-0.274628	-0.081546225	-0.9895015	-0.030657658	0.041690066	0.03532284	0.106751	-0.9964206	0.32732126	0.062439922	0.6967545	-0.20055889	0.48654383	-0.48800564	-0.09289066	0.045563117	-0.34567878	0.11371624	0.71314377	0.95897824	-0.6141622	0.46125537	-0.49171716	-0.66948414	0.3470237	-0.23836312	0.435251	-0.40294534	0.55047953	-0.4992118	0.02920249	-0.29055712	-0.7830757	-0.99987614	0.3767702	0.8398903	-0.4668872	0.50096077	-0.16665128	0.054631084	0.045425013	-0.99998075	-0.59159666	-0.65673083	-0.08384197	-0.6916786	0.437963	0.96904266	0.7347228	-0.05287506	-0.034505032	0.055170383	0.24289477	-0.061904423	0.25177976	-0.35225752	0.99907887	-0.3193266	-0.89954007	-0.24307376	0.5271894	-0.2430685	-0.009998078	0.3343566	0.007678861	-0.31943014	0.9430152	-0.1831424	0.29286453	-0.40578035	-0.9999048	-0.007315933	0.049936198	-0.15373693	-0.17131445	-0.5694326	0.3043679	0.625207	0.175265	0.24784793	0.9993319	0.37603903	-0.2749995	-0.53215647	0.26151353	-0.4625323	-0.26203752	-0.36031163	-0.07693179	-0.3212942	0.07230057	0.92587596	-0.1610756	-0.36364442	0.6855048	0.21707982	-0.32631582	-0.7451389	0.1285392	-0.44671002	-0.56142205	0.5003683	0.99881345	0.3804639	0.8628715	0.32602945	-0.18661007	0.2473649	0.21802498	0.08847226	0.99328977	0.3114507	-0.41190425	0.7290107	-0.06981094	0.12099026	-0.2233531	0.027115965	0.28345916	0.9989206	0.05014801	0.25983626	-0.9921844	0.349289	0.15775439	0.30789798	-0.4972033	-0.13949594	-0.38739267	0.44328982	0.003042545	-0.07600202	-0.52028507	-0.2959241	0.18409438	0.034071207	0.24376743	-0.9477854	-0.26439065	0.19494437	-0.19005558	-0.4138704	-0.21318509	-0.9903063	0.61505604	-0.61803836	-0.75572324	-0.53855014	-0.33166894	-0.21434094	0.027913002	0.29989815	0.51692027	-0.27829382	-0.21432242	-0.25954434	0.089123055	-0.5391414	0.12092614	-0.5265383	-0.5404302	-0.714062	-0.48337647	-0.6133893	-0.5007639	-0.38944894	-0.19774921	0.25094292	0.03999144	0.65174854	-0.08328999	-0.96047896	-0.29072407	-0.021750148	0.013335224	0.007506601	0.48674121	0.38898408	-0.4022223	0.10480033	-0.061822824	0.026569087	-0.06903119	-0.75992304	0.12485224	-0.19361109	0.99367505	0.27786398	-0.56656593	0.2853514	-0.1872728	-0.27726552	0.32814535	0.049791656	0.28598237	0.24306232	0.2309492	0.17460227	-0.60923094	0.28515372	0.052548826	-0.37540308	0.7769357	0.065424904	-0.11225583	-0.7707942	-0.6155653	-0.1955679	-0.31835148	0.46090254	-0.066088855	-0.61456984	0.45103845	-0.99987674	-0.62189764	-0.14237496	0.13278057	0.19855715	-0.32959506	0.31123993	0.3326396	-0.42833444	0.06566206	-0.10609408	-0.21761055	-0.13280705	-0.23409088	0.54111063	0.00067481	0.1388963	0.6554126	-0.38507637	0.01588715	-0.16833428	0.00515279	0.033437192	-0.000462014	-0.08024453	0.087380536	0.39753997	-0.21956849	0.28372753	-0.61623687	0.9994914	0.028422317	-0.17237799	-0.054546848	0.044414397	-0.38912365	-0.9739165	-0.97268945	0.17480618	0.41380808	0.99959135	0.40967408	0.48412892	0.52958363	0.21756461	-0.9974505	0.39204875	0.5168107	-0.20306566	-0.6319314	-0.37983847	0.22032958	-0.57154256	0.3102816	0.26158327	0.9967162	-0.28318045	0.36246052	-0.22971511	-0.1759019	0.22967355	-0.45479673	-0.7179473	-0.575066	0.07415391	-0.025904164	0.14331266	0.95490915	-0.2537528	-0.21441719	-0.09620269	-0.10627418	0.20084071	0.23853566	0.5031726	-0.32722127	-0.6679685	-0.119307995	-0.21130553	0.46955693	0.5992747	0.5093683	0.28377262	0.28838912	-0.97530603	-0.44580644	0.2842645	-0.3878361	0.28400084	0.7250564	0.010738673	-0.4966904	0.70561814	0.04507436	-0.24809602	0.61476827	-0.19253756	0.6537376	0.9463449	-0.9936892	0.028314222	0.1713036	0.44152784	0.040622886	-0.41310993	-0.15559746	0.9983913	-0.57473767	-0.20268823	-0.2386402	-0.011556933	-0.5239672	0.8531924	0.46619922	-0.59547305	0.26670963	-0.17349693	-0.19227143	-0.07499238	0.18404695	-0.6042586	-0.51948416	0.8886849	-0.083510615	1	-0.06922664	-0.28853005	0.080431305	-0.74809784	-0.867615	-0.13883036	0.37690067	0.31543437	0.37937644	-0.228659	0.48609582	-0.36051476	-0.28359	0.013780038	-0.6277049	-0.30309534	-0.1255414	-0.115343206	0.21696611	-0.6908218	0.37966263	0.7929	-0.21948421	0.88889134	0.26850456	-0.5744729	0.44106755	0.021058442	-0.53096974	-0.21714239	-0.6528651	-0.1132792	0.08411313	-0.23152164	0.30070767	-0.10347614	-0.074339956	-0.08112011	-0.2870592	0.04769457	0.921854	0.25593945	-0.8326634	-0.27765933	0.9995693	0.10649665	0.21044774	-0.96435994	-0.19470443	0.3094783	-0.54469734	-0.2878465	-0.37863642	0.059081737	-0.085704304	0.93210524	-0.00035413	-0.16752364	-0.034339968	0.007249703	-0.20507756	0.3965914	-0.99990046	-1	-0.9947668	-0.2012543	-0.22979863	0.22204247	-0.042353537	0.053389367	-0.5770522	-0.3923268	0.38361242	0.230907	0.029835228	-0.11560471	0.35871944	0.047349088	-0.2850596	0.095168844	0.17059624	-0.99405503	-0.99988157	0.40690568	0.17173441	0.35447195	0.218911	0.26940614	-0.14344752	-0.4898504	0.15162028	-0.02802954	0.4010389	0.30600977	0.65486103	-0.8622728	0.66891587	0.92259955	0.35339713	-0.8572595	-0.66878057	-0.6987198	0.47001374	0.16894126	0.22109628	0.9105707	-0.071542434	0.13479997	0.099537425	-0.48423585	-0.36422953	0.40326396	0.51705843	0.42065495	0.13672853	0.17185505	-0.08090614	-0.8875952	-0.40291607	-0.5113467	0.10426099	-0.29579064	0.013757623	0.9999584	-0.2405956	-0.6185865	0.10800962	-0.52464694	-0.017041259	0.23309802	0.12726279	0.40770045	-0.22883753	-0.39599305	0.70561093	0.11180187
270	0	Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1	-0.020217052	0.056891583	0.3863371	-0.1789937	0.36659828	-0.030740164	-0.7070299	-0.59982646	0.08693834	0.045356404	-0.4286261	-0.53991556	-0.36883867	-0.5532733	0.1584934	0.7032403	-0.027732288	0.30778894	-0.5519792	-0.6499113	0.5625644	-0.39019856	0.6002154	0.07433936	-0.08980516	0.36170742	0.035460472	0.5902055	-0.14880027	-0.33230576	-0.10590655	-0.5327139	-0.4734458	-0.038902268	0.16524544	-0.071844675	-0.76525867	0.53490824	0.9809654	-0.67256737	-0.83363545	-0.19810928	-0.4743856	-0.45750016	0.21154568	-0.9724817	0.45129046	-0.21824658	0.70717365	-0.34944442	-0.1198727	-0.03352231	-0.38876703	-0.005706074	-0.7601095	-0.19354919	-0.59085876	0.43888742	0.39709422	0.020762391	-0.100576624	-0.2294664	0.36517644	-0.3242928	0.11461618	0.5976922	-0.14178273	0.44873777	-0.15486869	0.45478666	0.08437169	-0.9971259	0.5413631	-0.31444737	-0.05943776	0.40727344	0.17289655	-0.54771817	0.027635664	-0.987699	-0.9011514	0.057164937	-0.64653134	-0.42933476	-0.27007067	-0.19154866	0.10462902	-0.3024951	-0.32995737	-0.33431956	-0.09084384	-0.27228656	0.06814795	-0.58068466	0.98745346	-0.25823045	-0.119474985	-0.007954928	0.29243392	0.17675325	-0.118906245	-0.66676366	-0.13101542	0.6676231	-0.634739	-0.6468123	-0.46346584	0.46327406	-0.99851394	0.64555526	-0.3792707	-0.35686544	-0.6861478	-0.07153984	-0.44838876	-0.42878547	0.29468432	0.38407364	0.9991225	-0.37665012	-0.1324245	-0.53594923	-0.33946458	0.12194475	-0.39998126	0.11193668	-0.31230086	-0.26825303	-0.096524894	0.996785	-0.20613405	0.35892513	0.114624284	0.18598747	0.022148663	0.39756644	0.385071	0.62488645	-0.8465793	-0.43564332	-0.99980515	0.18872882	0.76318234	-0.24619919	0.59872943	0.105654985	-0.13887262	-0.6324684	0.80622023	-0.24556556	-0.53035414	-0.78068715	-0.3398607	-0.64934003	-0.015806755	0.36928096	0.12179762	0.96738577	-0.51953775	-0.26149142	-0.9817842	0.3428197	0.41880998	-0.14898778	-0.22986123	0.5289447	0.1782626	-0.22614835	-0.033642676	-0.1250151	-0.61522543	0.050630603	0.56733096	-0.6848895	0.13384601	-0.9498165	-0.5975367	0.043655284	-0.37158388	-0.2441717	0.3583264	-0.9956399	-0.01325688	0.47651473	-0.09032653	-0.29265434	0.7047989	-0.3425458	0.43054113	-0.2625662	0.78755337	-0.4292531	0.26749882	-0.04217129	-0.13282114	0.27399755	-0.13671415	0.51389885	-0.10159329	-0.22822407	-0.18999042	-0.58223146	-0.5950734	0.30416545	0.3498814	-0.2039113	0.30513424	-0.036743067	-0.18708868	-0.9991549	-0.024880532	-0.086132795	-0.28483292	-0.24799325	0.028762879	-0.2168477	0.302419	0.2865838	-0.0664692	0.2462538	0.24986042	-0.3930003	-0.43095255	0.44033292	0.99997014	0.43705508	0.2536086	0.25524944	0.38340944	-0.46710747	-0.25456065	-0.20525233	0.3423861	0.011593138	-0.33652395	-0.37234068	-0.7096692	0.024367722	0.31954652	0.53122944	0.8122851	0.32391542	0.84912765	-0.025024522	0.6698699	0.18478894	0.16351777	0.034799207	-0.30219498	-0.47664115	-0.22023155	-0.9703141	-0.06898183	0.7929402	-0.1812194	-0.23416696	0.39903486	0.4199044	0.67792845	0.1688607	-0.39741662	0.5888987	-0.026897214	-0.629648	0.5846286	0.3262804	0.4486675	-0.237071	-0.997587	0.58951694	0.18647283	0.16084681	0.11140395	-0.083838604	-0.07822926	0.91215986	0.14821917	0.3670876	-0.021385903	0.5699746	0.25157332	0.99959326	-0.16163689	0.24433228	0.022788797	-0.21052659	-0.34225094	-0.672544	-0.83285946	-0.10939669	0.4595658	0.9973433	-0.35272712	0.6550039	0.3258679	0.23203959	0.99994886	-0.82781184	0.50555235	-0.17533664	-0.6602018	0.55123943	-0.84514976	-0.005518607	0.036475074	-0.7685927	0.6319637	-0.31125206	0.634232	-0.2415409	0.13122499	0.5424535	-0.017689168	-0.7251514	-0.83965397	-0.13714023	0.5401409	-0.14374797	0.91098386	-0.28725955	0.2834773	-0.0435415	-0.015381145	-0.38110322	-0.14302915	-0.059655685	0.48748	-0.6755801	0.22952335	0.13111717	0.45549074	-0.2453318	-0.03452643	0.0296286	0.06770416	-0.7106672	-0.2661032	0.15336214	-0.32027385	0.002418971	-0.038339667	0.057999965	-0.51361084	0.55541986	-0.13330077	-0.12951168	0.07598974	-0.46271035	-0.59101534	0.11454696	-0.98907316	-0.18395962	-0.12395429	-0.58639294	-0.20015834	0.36089373	-0.10578753	0.99958044	0.4926955	0.58102936	-0.059277236	0.1828302	0.5251896	-0.14064968	-0.48530984	0.21688439	-0.2869807	-0.40720275	0.17080697	0.501679	0.102123804	0.19485673	0.6782591	0.79019547	0.5897901	0.9993	-0.22013655	-0.31940556	-0.20547327	0.6679374	-0.5608323	-0.26356864	-0.60389405	-0.86093265	-0.29830685	-0.28011477	-0.13917384	-0.45985416	0.25151962	0.76566774	0.17019904	-0.3227155	0.6023358	0.35357764	-0.07801015	-0.11849609	-0.31540376	0.47458267	0.6771698	0.6808848	0.38503847	0.30869812	0.31011042	0.3952946	-0.000132458	-0.38734588	-0.26846945	-0.20666306	-0.29266924	-0.007992482	0.54341906	0.42358348	-0.5256291	0.5032638	0.071279444	-0.001727151	0.9736306	0.03052852	-0.97708917	0.043818418	0.9997493	-0.23866214	-0.6053483	-0.9610136	-0.29951295	0.37375984	0.7024267	-0.21342464	-0.5530931	-0.17169145	-0.5881115	0.7534436	0.10086844	-0.32963413	-0.38183984	-0.28319743	-0.46126828	-0.3335951	-0.9999951	0.98544025	-0.96555376	-0.10879555	-0.7104071	-0.21626504	0.23457615	-0.15095209	-0.78686905	-0.026821151	-0.6253968	0.25858974	-0.8963647	0.23546977	0.31517312	-0.42565408	0.5430174	0.36088568	-0.056835037	-0.77749634	-0.9999702	-0.36332712	0.31004435	-0.09007342	-0.4875578	-0.2562417	-0.21245793	0.67863953	0.24785988	0.46804416	0.015930451	-0.008156509	-0.40663314	0.971788	0.21841677	0.3650402	0.28861988	-0.28984737	-0.12092169	-0.59313804	-0.76347435	0.46751	-0.04589189	0.6636216	-0.34979066	0.35635278	-0.10706806	-0.43491685	-0.1840698	-0.2423268	0.06582017	0.63480765	0.048180286	0.45806044	0.5679334	0.73792005	0.1735383	-0.22347192	0.24559394	-0.5093796	0.42776474	0.9998238	0.3182218	0.13204816	-0.57318157	-0.08902495	0.35535672	0.02202702	-0.8961128	-0.5114574	-0.21891487	-0.35129648	-0.07837826	0.16865109
271	1	CN1CSC(=S)N(C)C1	-0.2328164	-0.31637242	0.24282365	-0.10254823	-0.036200393	-0.115328215	-0.3224146	-0.6730439	-0.81414485	-0.329109	-0.20816581	-0.34882098	0.54318035	-0.204311	0.19277577	0.375905	-0.735228	0.2590904	0.16638008	0.5582513	-0.27535266	-0.8326798	-0.035937972	0.34153235	0.14004602	-0.19917367	-0.37288308	0.065589815	-0.58497185	0.1382594	0.11336252	-0.19996242	0.5787934	-0.19415653	-0.31495804	0.30682322	-0.4410402	-0.13552974	-0.6270309	-0.8876082	-0.9899384	-0.76774603	0.3685182	0.18518785	-0.12559429	-0.9963436	-0.03730335	-0.3436262	0.9909509	-0.2804954	-0.16034517	-0.3421414	-0.51205814	-0.5368242	-0.61321545	0.05135452	-0.15156223	0.9605727	-0.42488098	0.35442343	-0.26712933	-0.7077693	0.6082719	-0.24459466	0.27730542	0.2731575	0.12905215	-0.1982532	0.14677052	-0.06260863	0.5801428	-0.9992681	-0.014622957	0.78550094	0.009148778	-0.40925187	0.30588514	-0.7091853	0.59555995	-0.99986655	-0.1397646	0.16871734	-0.26146537	-0.13320127	-0.53514796	0.93522197	0.58409095	-0.7426747	0.5265958	-0.25729173	-0.11936203	-0.015012459	0.35122812	-0.59929776	0.9663961	0.41549137	-0.8411802	-0.08430191	-0.35160837	-0.36703715	-0.700786	0.5002399	0.12963061	-0.47523898	0.96881473	-0.17526469	-0.26064715	-0.11664812	0.98394656	0.5291164	-0.21014287	-0.21112682	-0.14177574	-0.5376766	0.11155968	0.34945685	-0.1746138	0.16303203	0.99960864	-0.15991153	0.119156905	-0.23155206	-0.05714863	-0.5491941	0.0706561	-0.31841075	0.22822376	-0.15625334	0.20858917	0.91330683	-0.19509	0.020669771	0.4723445	-0.35103995	0.36798915	-0.88279516	-0.2912085	-0.17030132	0.031739492	-0.48038268	-0.99415594	0.26297554	0.98364514	0.14491825	-0.59742117	0.645086	0.6120123	-0.5433	0.99440306	-0.39554796	-0.034036253	-0.48211324	-0.18225172	0.13573644	-0.4001982	-0.046778806	0.34962103	0.99970853	0.19509327	-0.95208293	-0.99205065	-0.21969232	0.071682155	0.018477302	0.59437287	-0.22158574	0.4420999	0.000411823	0.21297985	0.4382328	-0.67908424	-0.65385526	0.7335058	0.43797404	-0.4017602	-0.8953759	-0.42265463	-0.33862454	-0.660632	-0.18486542	-0.038571812	-0.21235421	-0.2654133	0.5685144	-0.82872903	-0.39342275	0.052744225	0.6810097	-0.2901779	-0.21974203	0.74558014	-0.12341053	0.18760873	0.7232726	0.39187545	0.50978506	-0.29703042	-0.8882487	-0.05652074	-0.13883428	-0.5802766	-0.31361586	-0.31959397	-0.55958253	-0.64301014	-0.002891574	0.19286223	0.15272674	-0.042282145	-0.7214986	-0.45299748	-0.33585864	-0.6752465	0.77827275	0.8271769	0.376663	-0.5318378	-0.5065739	0.08954239	0.25271928	-0.64849085	-0.094222695	-0.46189752	-0.3837084	-0.9659789	0.121110395	-0.09312303	-0.3847719	-0.31927848	-0.37184137	-0.13954951	-0.6578229	0.5506316	-0.33435	0.36284816	-0.4933202	-0.28457004	0.15431893	0.6807484	0.3562449	0.72417325	0.08052403	-0.1599419	0.24093583	-0.46336734	-0.38270202	0.65312755	0.17847656	-0.40506703	-0.19762467	0.101426184	-0.9976696	-0.32658413	0.38647503	-0.30477887	0.24299578	0.3577725	0.62565166	0.16722532	-0.24372558	-0.04795718	-0.70198816	0.07730341	-0.20173344	-0.55622536	0.115647934	-0.12562937	-0.13749546	0.31530392	0.56761867	0.40089312	0.8879088	-0.37602767	0.53972346	0.17202564	0.017460164	0.50067765	-0.6217171	-0.67738485	0.7028139	-0.12997499	0.99955237	0.3701119	-0.0750352	0.11623851	-0.59422004	-0.6832993	0.058977257	0.91575146	-0.52540374	0.5916887	0.9997985	0.47379288	0.7323849	0.7012024	0.111470304	0.99611795	0.10369012	0.46886447	-0.108422	-0.29519033	0.4702856	0.88059914	0.23874083	-0.23645131	0.18314923	0.9993676	0.48479486	-0.56603235	-0.46930304	0.48656672	0.5421908	-0.035991706	-0.015112153	0.7981514	-0.1684574	0.11874266	0.3939881	-0.9999547	-0.036127683	-0.15005244	-0.4655717	0.11230088	0.56110036	0.43724078	-0.23476487	-0.89179367	0.18900245	0.041161172	0.23298834	0.09550107	0.106975526	0.6039204	0.06169562	-0.12463253	-0.8553452	-0.7120707	-0.35773373	-0.33987823	-0.2567989	-0.2346248	-0.15438998	-0.28355575	-0.047240924	-0.042448223	0.060432356	-0.33989865	0.1734922	0.07273488	0.97644156	-0.9932081	-0.7016061	0.24122737	0.6153337	0.023173768	-0.44066882	-0.27432787	0.98547643	-0.6733119	-0.38512787	0.32249665	0.7474077	-0.031620145	-0.66494596	0.5843198	-0.53411436	-0.07416323	0.46146622	-0.25763598	0.13196413	-0.2828612	-0.1436558	-0.36602455	0.7958907	0.07854429	1	0.022218853	0.5583642	-0.20503981	-0.48656154	-0.893919	0.5381934	0.34980226	0.3751088	-0.34806108	-0.064643644	-0.157012	0.28229812	0.1056259	-0.7529891	-0.17499894	0.19782293	-0.32579157	0.36605787	-0.59706265	-0.051340774	0.5169035	0.4556219	0.7487882	-0.40875202	-0.7642809	-0.714383	0.2732854	0.41653478	0.21142524	-0.08723977	-0.7497871	0.10257672	0.8596075	-0.6079582	0.57068056	0.61297095	-0.21878874	-0.15100622	-0.49694583	0.5714019	0.9999999	-0.248445	-0.53408515	0.13286415	0.99840355	0.43897408	-0.15663792	-0.99991363	0.2640953	-0.02151198	0.38791743	-0.44247663	-0.50212365	-0.39676932	-0.26014346	0.9500347	-0.022069955	-0.39261812	-0.3826606	0.29247388	0.14073387	0.42847732	-0.99997205	-0.99864715	-0.9974733	-0.3432651	0.26870883	-0.41019598	-0.20174068	0.5762559	-0.4266659	0.74396557	0.7586416	0.30465704	0.10392229	0.18749106	0.15828931	-0.40121257	-0.18810765	0.096628845	-0.5627734	-0.9960711	-0.9999186	0.49430665	0.41877678	0.01681258	0.7054633	-0.06971652	-0.9267079	-0.70249355	0.286462	-0.057598513	0.40430433	-0.4231705	0.431702	-0.4353829	-0.19756484	0.749275	-0.0982452	-0.09826479	-0.04712299	-0.31193927	-0.31512383	0.28662357	-0.61506164	0.60059524	-0.97379273	-0.11387779	0.08219169	-0.4308165	0.14334786	0.36098686	0.6909448	-0.75465447	0.58257675	0.5056784	-0.1532976	-0.9760412	-0.25420612	0.36739987	0.27534232	-0.6456951	0.37294388	0.9999438	0.021781683	0.55410284	0.09169874	0.16149847	-0.5128756	0.4553363	0.6675222	0.16037348	-0.00196126	-0.117594555	0.16007353	0.08082606
272	0	CCNc1nc(N)nc(Cl)n1	0.35690096	0.5002166	0.21471263	0.3326868	-0.54780215	0.08849854	-0.58010006	0.02319536	-0.2773991	-0.07034591	-0.30198997	-0.5398663	0.04426863	-0.17448768	0.29688767	-0.23758808	-0.18900096	0.20448416	0.18141893	0.06485431	0.69842815	-0.63059384	0.6709943	0.5155369	-0.22797191	0.3460929	0.2007575	0.41676715	-0.40795106	-0.3414165	0.019787224	0.42637432	-0.3298332	-0.31439504	0.052299716	-0.3854247	-0.041092973	-0.35304254	-0.1689444	-0.90050507	-0.8729507	0.34540424	-0.1481949	-0.23564819	0.1306638	-0.99559695	0.698446	0.4723929	0.37748608	0.21428347	0.08413954	0.436189	-0.25742283	-0.5684145	-0.8610525	0.15540998	-0.57541263	0.9628803	-0.24737571	-0.24820194	0.070847064	-0.2699089	-0.2558062	-0.10627555	0.2198645	0.6823333	0.13660578	-0.21689975	0.13902797	-0.5425168	-0.93465894	-0.99950117	0.46595037	-0.2758019	-0.31759524	0.23810565	-0.67553127	-0.16055372	-0.4569517	-0.99877346	-0.56000865	0.36796212	-0.89062583	0.24259125	0.53825736	0.8444902	0.5669117	-0.014808651	0.115728	-0.4578797	0.064139485	0.21527652	0.38342878	0.17554839	0.9952217	-0.43382448	-0.829082	-0.22811408	0.5724361	-0.011228185	0.375767	-0.56621844	0.22059587	-0.6463509	0.94	-0.9857311	-0.08468228	-0.28918955	-0.9950549	0.33970845	0.40926248	0.071959265	-0.6591364	0.386698	0.31945026	-0.13345085	-0.18050455	0.3917603	0.9995238	0.17181462	-0.37069103	-0.4526475	0.6678761	0.54533523	-0.24191415	-0.38964146	-0.38742763	0.007286639	-0.5892548	0.93971354	-0.5774513	-0.11524577	-0.046628535	0.21727303	0.34012175	-0.3467741	-0.48129	0.005373601	-0.258617	0.2561579	-0.98726207	0.05138275	0.88941383	0.24440533	-0.3509705	-0.14476813	0.014957934	-0.5520158	0.9951581	-0.026483072	0.20092121	-0.0815245	-0.7140503	-0.5030175	-0.51289874	0.40820175	0.49181965	0.9992656	-0.19462937	0.38053644	-0.9930357	0.15753931	-0.4717071	-0.09234792	-0.43548995	0.4161477	0.36185795	-0.46425804	-0.72205156	-0.2600708	-0.47321424	0.3749975	0.43813062	-0.6255474	-0.07702325	0.6346009	-0.71684414	0.5790974	-0.873693	0.56315345	0.5179456	-0.9470492	0.15989116	0.18243891	-0.6782162	0.032304697	0.91483134	0.54624724	-0.46630138	0.12115639	0.98046005	0.6610011	0.53302085	0.11582158	0.22247246	0.52379614	-0.002377939	-0.1919122	-0.64596075	0.032079138	-0.1967524	-0.03804034	-0.30699733	-0.40984637	-0.1260781	-0.22779892	-0.054268204	-0.17074941	0.6861436	-0.8689182	0.3574014	-0.07647112	-0.18287696	0.18271881	0.55547935	-0.29632887	-0.34155777	-0.40137503	0.15245073	0.080244154	0.13396734	-0.7018296	0.7584504	0.6030312	0.98552525	0.000920925	-0.019181648	0.24083295	0.15573005	-0.19639643	0.080742806	-0.28269166	-0.15628777	-0.24744621	0.2773713	-0.23502858	-0.6945829	0.10570155	0.09438722	0.54741895	0.9528946	0.21843463	-0.41968128	0.091296665	0.06708694	-0.5585777	0.3447322	0.2277145	-0.3823496	0.061943855	-0.72453225	-0.9987193	0.099985465	-0.51062	-0.24503572	0.060570452	0.16672853	-0.008730746	-0.015853614	-0.4656937	-0.22655524	0.18406786	-0.26374856	-0.25773686	0.059568606	0.13685393	-0.16253924	0.33820838	-0.98150086	0.3476071	0.40962553	0.35063002	-0.4387796	-0.10550562	-0.022543572	-0.5545452	0.51382023	0.80325204	0.6556218	0.8161895	0.18234046	0.9995333	0.022563463	0.3982759	-0.053648934	0.3555898	-0.22164172	-0.9645112	-0.9278679	-0.26312518	0.5607877	0.99969035	-0.392442	0.88590026	0.55995905	0.24580546	0.9952665	-0.061666362	0.142778	0.18298349	0.21019073	0.41227877	-0.25802124	0.08902201	0.9201355	0.91999406	0.9978045	0.58980215	-0.56307036	0.009322151	-0.12528673	0.16181712	0.28934652	-0.39614514	0.4862052	0.17761296	0.26188385	0.2898138	0.9129815	0.32585138	-0.19579402	0.24510528	0.3580456	-0.6833033	-0.4233663	-0.46196073	0.47206974	0.015706453	0.0402017	-0.22323439	0.33417347	-0.349639	-0.1407535	-0.6709218	-0.24797685	-0.91260207	0.20181994	-0.39392373	-0.38019705	-0.11188763	0.2922684	-0.42910612	0.13006721	0.4736531	0.31803817	-0.34315562	0.34660727	0.08818176	0.24397314	0.9449042	-0.99416023	-0.37783265	0.25329295	-0.49480304	-0.24926141	0.034334857	0.011944413	0.99376285	-0.15397191	0.44034767	0.06771282	-0.28989112	0.05607882	0.001784449	0.52451545	-0.39161116	0.33451918	0.30818048	-0.65379304	0.3082022	-0.40799865	-0.21476221	0.30052036	0.32176965	0.12861261	1	0.69340235	-0.029675705	-0.045991942	0.12612617	-0.68351054	-0.12799169	-0.22327258	0.28528637	0.10541424	-0.17438251	-0.5988668	-0.48068687	-0.4569294	0.66853076	0.096226014	-0.26111037	-0.26160458	0.3645679	-0.004612849	-0.37928882	0.62997746	0.4473487	0.72314656	0.8098544	0.3440819	0.32076815	-0.54613954	0.2424461	-0.35213643	0.12224897	0.29973748	0.5210641	0.22394349	-0.45120716	0.78791153	0.6092371	0.09263352	0.7258698	0.48360366	0.16531628	0.955326	0.4648358	-0.9490097	0.015185604	0.99474865	0.18722121	-0.73327196	-0.9768436	-0.3673786	0.5102735	0.63512725	0.04068494	-0.041363765	0.5943726	-0.038429424	0.8697156	-0.18022577	0.20875902	-0.5131112	0.002441513	0.4798128	0.5282391	-0.9999502	-0.9993295	-0.9976651	0.60937136	0.36958516	-0.07749876	0.15039615	0.31745765	-0.7304321	0.047483984	0.14695199	0.037114386	0.34613937	-0.3437812	0.38541916	-0.604434	0.19171023	0.21375877	-0.20403166	-0.99045706	-0.9999	-0.43241605	-0.24604802	0.33277765	0.06058394	-0.20544024	0.047652483	0.25887993	0.62221557	-0.25860584	0.3867233	-0.039690096	-0.15567143	0.83654916	0.027184298	0.75009096	-0.47667485	-0.16412662	-0.4286933	-0.35733745	-0.034534607	0.2698225	-0.75449175	0.904178	-0.23971067	-0.052846972	-0.31869552	0.33688146	-0.45701376	0.26378366	-0.48736823	0.62133664	-0.0556757	-0.40676165	-0.010471728	-0.9136687	-0.24108765	-0.42384025	-0.098050736	-0.15722148	-0.37041748	0.9999729	0.03313005	0.3990438	0.082891576	0.79809093	0.41225845	0.14290911	0.29792038	0.058658693	-0.96630824	-0.5732285	-0.7403605	-0.15276162
273	0	CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC	0.97708523	-0.017173821	-0.044897575	-0.05490504	0.07737454	0.43663815	-0.28456464	-0.4681908	0.619763	-0.4371531	-0.83863467	-0.21105993	0.3183832	0.07650516	-0.540726	-0.60211307	0.52397585	-0.09139033	0.43392158	0.39438835	-0.112639554	0.23205519	0.22249901	-0.16651852	-0.22444141	0.114652336	-0.31532323	-0.79923654	0.5309357	0.23006696	0.60451484	-0.5581877	0.22093144	-0.46417105	0.7333077	-0.34568626	-0.26776457	0.28250375	0.99978113	0.4565454	-0.81935567	-0.66117525	-0.3396102	0.3750798	-0.10627779	0.49965945	-0.41171214	-0.6727219	0.99963933	0.4094987	-0.22836962	0.20261185	-0.6148421	-0.58301526	-0.43626535	-0.3862632	0.6203793	-0.65149987	0.44488677	0.42490706	-0.47060978	0.55496424	0.61851573	-0.34067416	-0.11227144	0.7127088	-0.78111297	0.26697856	0.7230424	-0.2024873	0.38798508	0.8314159	-0.23328938	0.19333889	0.6909131	-0.19748366	-0.84658337	0.15589347	-0.19688378	-0.99994075	0.22779478	-0.022920407	-0.8386887	-0.109460205	0.38022333	-0.9874745	-0.6349017	-0.069379255	-0.3385265	0.85507715	0.44257665	-0.5389861	-0.46131983	-0.07483962	0.997184	-0.13867235	0.62690675	0.7354259	-0.12305644	0.12414812	0.27091044	0.57381135	0.004478002	0.90941936	-0.9991122	-0.64808017	-0.60479945	-0.12144606	0.9929011	0.09908345	0.2680073	-0.51040846	-0.4118729	-0.44974053	0.16402113	0.15844437	0.11459544	0.7253512	0.85679054	-0.2536474	0.3315479	-0.14151518	-0.47106016	-0.2245514	-0.38698405	-0.13014047	0.1207731	0.22743861	0.917964	0.9999903	0.54203993	0.45983547	0.046355397	0.26388207	-0.42681918	-0.97695726	-0.3550722	-0.2105496	-0.6947115	0.068210535	-0.9704261	0.4355434	0.6534102	-0.2662749	-0.22522667	-0.24519603	0.025804952	-0.62851244	-0.99359185	-0.3190914	-0.863079	-0.9713355	0.7027216	0.003496779	-0.4162743	0.5475011	-0.7916464	-0.8826909	-0.8808474	-0.96034324	0.17090245	-0.824393	0.07867249	0.67432886	0.4425015	0.14784148	0.36158046	-0.32144967	0.16414617	0.7856831	0.68038356	0.21044692	0.5413386	-0.76119775	-0.2593946	-0.95386916	-0.40894756	-0.094980195	-0.30952054	-0.110206276	0.8368369	-0.93023294	0.13262203	-0.051333796	0.34084892	-0.2828347	0.09926196	0.689669	-0.36878112	-0.14685096	-0.9139517	-0.49409112	-0.061195534	0.4960618	0.27806687	0.20058258	-0.21008092	-0.87593514	0.4812332	0.7455678	0.6422493	-0.707086	0.9130545	0.0938564	0.007746355	-0.7295763	0.40910643	-0.45657933	-0.18886511	-0.9999856	0.11815158	0.1898661	0.08322488	-0.5061823	0.31757554	-0.17095417	-0.79836696	-0.34828302	0.5175702	-0.23130135	0.06665372	0.003473951	-0.2636325	-0.5517924	-0.9917897	0.013857872	0.48412785	-0.24935114	0.08322771	-0.359127	-0.3961953	0.5983143	0.10645389	-0.07455726	0.3820648	0.46399263	-0.5419817	-0.4078375	-0.36304453	0.36418146	0.95753115	0.787477	0.123815686	-0.057450984	-0.8443362	-0.6486489	-0.6101034	0.012900247	-0.6009476	0.43951544	0.5342793	-0.9968716	-0.7306094	0.86271334	0.04934062	-0.6308446	0.308347	0.22043502	-0.12914221	-0.45153418	-0.27779856	-0.12594171	0.29309586	-0.6816615	-0.36101642	0.8677985	-0.2136128	-0.6792795	0.9431329	-0.42548522	0.24683428	0.9797036	-0.8090028	-0.3307576	-0.017651778	-0.8843389	0.6960313	-0.50828046	-0.17762832	0.8269642	0.7607948	0.97405714	0.086560324	-0.5911225	-0.34570575	0.5654206	-0.013568935	0.95586574	0.75127214	-0.28761992	0.8341932	0.2993253	-0.31199455	0.6664704	-0.19746172	-0.45123717	0.98780334	-0.99907255	-0.32435945	-0.2609612	0.12344048	0.53147256	-0.48373812	0.41614687	-0.6318927	-0.90542686	-0.99660504	-0.26658398	0.5633841	0.77397937	-0.027899114	-0.45365694	0.5209664	-0.20086426	0.18762565	-0.6822102	0.1639803	-0.8042009	-0.99993056	-0.48108405	-0.18047003	0.76515573	0.2326709	-0.9099701	0.15176687	-0.5702999	-0.16976915	-0.9520601	-0.18761142	-0.44336262	-0.54041535	0.59472376	-0.47352576	0.6928218	-0.14983264	0.9758052	0.83784693	-0.4547915	0.89867544	-0.31662115	-0.7676497	0.4863557	-0.031457637	0.6473676	0.27203646	-0.3617301	-0.06861546	0.28547856	-0.14941365	-0.9599918	-0.7084425	0.81400394	0.49767777	-0.43252245	0.81481475	-0.2776067	0.16799809	0.99967164	-0.00021647	-0.55178416	0.2270158	-0.38290393	0.21703728	-0.18308069	-0.84623694	-0.23795247	-0.7719925	-0.16881481	0.5201925	-0.13020097	-0.7171097	-0.19742694	-0.4851432	-0.17158265	-0.14308466	0.9999999	-0.1415118	0.41576076	-0.58384675	0.25339648	0.45501405	-0.09942389	0.014142967	0.0452188	0.7096015	-0.22721946	0.074334845	0.41019624	-0.49886885	-0.07829423	0.47296953	0.21307467	0.17383838	0.48451123	0.6518364	-0.97879153	-0.5317217	-0.9241351	-0.7163327	-0.52572125	0.70837724	0.456172	0.016691612	0.07405413	0.49460107	-0.29344803	0.53558385	0.29217815	-0.6680307	-0.18234907	-0.5593932	-0.2664055	-0.26149523	-0.6894422	0.4992614	-0.7334743	1	-0.008388903	-0.98370546	-0.15188082	0.99428946	-0.8973436	0.194521	-0.9999566	0.044012666	-0.9593798	0.21844247	-0.4975697	0.8206929	0.51965725	0.15929024	-0.9804094	0.45335048	0.5616993	-0.14702544	0.21513815	0.12874801	-0.6117415	-0.9992586	-0.99063444	0.40191606	0.82748413	0.46951684	-0.20588684	0.67014945	-0.43863025	0.8237652	-0.589539	-0.039357435	0.5818724	-0.47367057	-0.13521612	-0.47666985	0.48003566	0.6432931	-0.18981047	-0.74402547	0.94727397	-0.99689364	0.06365752	-0.087370306	0.22189485	0.5191727	-0.34719214	-0.915422	0.739122	0.4856636	-0.70753515	-0.6182095	0.69305503	0.17099689	0.83100086	-0.14945562	-0.98888993	0.77860445	0.21987836	0.32033575	-0.12528741	-0.21240197	0.67783093	-0.8704039	-0.6891899	-0.9953884	0.47284347	-0.0990366	0.2746353	-0.1626259	-0.31566268	0.19709578	-0.09165613	-0.3312049	0.38365775	-0.54808766	0.99964654	-0.44649044	-0.5872085	-0.040248703	0.7113196	0.017994218	0.99993765	0.5925772	-0.9351561	0.4055116	-0.29511788	-0.09856914	-0.09549516	-0.9995513	-0.07758239	0.36907268	-0.29809856	-0.04256865	-0.19839899
274	0	O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1	0.90199405	0.62235117	-0.49033386	0.3107029	0.37746635	-0.6406725	-0.2187367	-0.22103235	0.3929553	-0.22451554	0.10572896	-0.12613043	-0.3180966	-0.5550219	0.082662985	0.7489179	0.58100146	0.62704825	0.19419849	-0.05422362	0.28213236	-0.6725625	-0.36617544	-0.21093106	0.48173025	0.3261157	-0.187292	0.503438	0.008659147	0.22729598	0.058290403	-0.7125439	-0.30999336	-0.6971555	0.6391812	-0.47538614	0.34342965	0.7150922	0.9965004	-0.573503	-0.91731656	0.022057382	-0.030513698	-0.5705395	-0.7657602	-0.5457091	-0.54786277	-0.08912089	0.9970673	0.19530082	0.054195378	-0.07338804	0.19438587	-0.13495058	-0.092813	-0.16658342	0.74605227	0.3763569	0.21313414	-0.07587668	0.14660564	-0.48866844	0.15590465	-0.14329867	-0.7151288	0.42019528	0.22431326	0.04692646	0.3460787	0.2106841	0.39387384	-0.98379236	0.046696335	0.32186848	0.4757018	0.3582307	-0.46990454	0.60733765	-0.45571497	-0.9994888	0.25193423	0.47263312	-0.7869796	-0.18207665	0.64927596	-0.42987674	0.13797233	-0.06831159	0.13376904	-0.13046156	-0.16438982	-0.3373887	-0.5915904	0.29795685	0.99958456	0.16350344	-0.41267532	-0.0696875	-0.30461317	-0.012596214	-0.40245622	0.15522707	-0.029306674	0.9983033	-0.9694655	-0.8574975	0.19170554	0.42910376	0.9915908	0.61276317	0.21911068	0.369579	0.22592399	0.0726983	-0.74008906	0.22104558	0.6197198	0.8687145	0.9850716	0.37542662	0.0662051	-0.1498054	0.32691342	0.45751667	-0.5034839	0.03479139	-0.22981684	0.48337293	0.10609046	0.9974684	-0.027686184	0.116131365	0.16200648	-0.47599635	0.1099453	-0.92850155	-0.16018179	-0.28202644	0.09062745	0.13584587	-0.9998304	-0.40308803	0.59804815	-0.12569742	0.46729523	0.054960947	0.283273	-0.61946243	-0.80210936	0.07183652	0.42706838	-0.65759045	-0.18023072	0.17313738	-0.2944182	0.31557566	0.42257538	0.6787452	0.27476498	-0.9520634	-0.80111396	0.43962532	-0.032572478	-0.003501226	0.20872067	0.6459223	-0.7189148	0.5624541	-0.2554125	0.18797125	0.67019546	0.020310044	0.21385711	0.21115683	-0.28083614	-0.92540693	-0.3338873	0.44604707	-0.22908178	-0.3777887	0.60018694	-0.9776206	0.4134581	-0.29689404	-0.1710136	0.447596	0.2792468	0.2043434	-0.58181155	0.30561346	-0.77577937	-0.4715736	0.1174524	-0.32157746	-0.047933422	0.01234603	-0.2833542	-0.87495136	0.5712441	0.04284346	-0.12942992	-0.42092046	-0.5502399	0.5628044	0.44005263	0.055218343	0.5924557	-0.7272713	0.15719281	-0.9999137	0.5379694	0.10648682	0.1388962	-0.2784741	-0.15596873	-0.15255861	-0.6111773	-0.49432507	0.61396027	-0.11578811	-0.44191384	0.44079798	0.11097353	-0.184098	-0.991233	-0.23542811	0.08856236	-0.27636492	0.2838598	0.2019358	-0.28859642	0.35902715	0.52548754	0.36146316	-0.06517559	0.182714	-0.31277728	0.12272492	0.03229602	0.6899943	0.8568092	-0.38186452	-0.033254642	-0.32953322	0.16711724	-0.18131755	0.09298264	-0.28835994	0.38455263	0.27401674	0.63918805	-0.9645406	0.37289646	0.2774604	0.7440191	0.5918693	0.27318212	0.8794135	0.14222969	0.14585423	0.64353603	0.5752365	0.06532312	-0.017286446	0.33988237	0.4499156	-0.3121026	0.47448194	0.8593987	-0.3372592	0.15774307	0.51799536	0.18839875	-0.47753245	-0.07011474	0.8850761	-0.5960689	-0.001064144	-0.18413849	0.53601545	-0.30150038	0.99806535	-0.17702885	-0.32537955	-0.49201196	-0.08817788	0.38149634	0.6424561	0.6296454	-0.6634742	-0.20862143	0.975368	0.009039068	-0.9188729	-0.5213356	0.6209853	0.99991626	-0.8603953	0.36890665	0.2501749	-0.595185	0.43262166	0.13789594	-0.088821605	-0.7042597	-0.6427408	-0.87874043	-0.45258132	0.92485017	-0.14826857	-0.21091977	0.072471045	0.16576377	-0.13779028	-0.21861057	-0.19542639	-0.12816994	-0.030808581	-0.99995023	-0.36281657	-0.5862756	0.5862691	-0.14397193	-0.7184498	0.50022453	-0.3768599	-0.3168237	-0.45073506	0.65346235	0.25051028	-0.36005715	0.6298022	-0.43792865	0.061315827	0.20491496	-0.3839377	-0.53707993	0.18875259	-0.7870002	-0.15934293	-0.3951961	0.2637924	-0.5456791	0.95022947	0.0795835	-0.092839696	0.24596728	0.13790078	-0.5156455	-0.56195796	-0.9674499	0.7395764	0.20406224	0.74743843	0.43699405	-0.22735055	0.4459886	0.9995541	0.38361093	0.7069971	-0.6319079	0.43497875	0.81119806	-0.4060349	-0.39976707	0.5705413	-0.16265576	-0.82442635	0.21517757	0.09846162	-0.31103465	0.43874344	-0.7634849	0.46616468	-0.39107636	0.99468017	-0.5008259	0.49327335	-0.25281784	-0.8271398	-0.039136875	-0.20608841	0.88408655	-0.2733997	0.47839642	0.1576922	0.23695649	0.3782225	-0.10631209	0.08127839	-0.028867826	-0.5562772	0.018522069	-0.33594778	-0.006164685	-0.85101455	0.30994776	0.5768397	-0.9527078	0.20081003	0.8257301	0.0747385	0.31137466	-0.2360905	0.24140546	0.075408936	-0.5336375	0.03681321	0.0786196	-0.037561353	-0.5974034	-0.58138144	-0.58650887	-0.42119366	-0.5372159	-0.45359215	0.9999999	-0.2299974	-0.9648007	0.10095096	0.9989392	-0.46991885	-0.10296825	-0.99991375	0.09411206	-0.9643409	-0.80818504	0.008462699	-0.5210626	0.26183984	-0.26921672	0.7108044	0.076602004	0.3949284	-0.3101435	-0.1582636	0.017518086	-0.2918749	-0.99995834	0.9592533	-0.23153165	-0.1327921	-0.28381017	0.31413797	-0.4544911	-0.17079198	0.85316163	0.3213687	-0.026991513	0.67831016	-0.6810635	-0.002463578	0.41131032	0.7096612	0.37455252	-0.29217368	-0.32750157	0.22077842	-0.9996565	-0.24962676	-0.18010573	-0.3935997	-0.55758417	-0.1692961	-0.63011616	0.28281602	0.021770146	-0.0680634	-0.45578444	-0.24871878	0.47101778	0.88446486	0.009521567	-0.17256297	0.2290019	0.24164756	-0.26924828	0.39817616	-0.6103563	-0.14675267	0.3156543	0.35557413	-0.8869312	-0.032084785	0.059437446	-0.052852497	-0.13249806	0.16549945	0.3380707	0.05713158	-0.37923366	-0.004946981	-0.24341641	0.99390393	0.746375	-0.4058135	0.4178256	-0.010191234	-0.13601837	0.99997455	0.7097217	-0.057436835	-0.05198586	-0.4594071	-0.44424403	-0.073415555	-0.9875627	0.0572914	0.29657072	-0.5857047	0.1314465	-0.001070857
275	0	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	0.9791723	-0.21694176	-0.3712136	0.4083536	-0.05891384	0.49969396	-0.31326488	-0.71572083	0.64116734	-0.3495806	-0.8680542	0.058095127	0.29228166	0.026905937	-0.38904834	0.05309425	0.69733524	-0.1829434	0.18623579	0.30863845	-0.07334307	0.07695656	-0.2384412	0.50291413	-0.15952443	0.35374242	-0.24350871	-0.81000394	0.35771778	0.20513514	0.65726185	-0.14483899	0.33499178	-0.20808509	0.8015199	-0.46301416	-0.054956984	0.5463339	0.99969256	-0.061041586	-0.7751116	-0.508716	-0.22502239	0.12067664	-0.39593336	0.40837714	-0.37365642	-0.36243856	0.9996748	0.26666215	0.5981642	0.057247337	-0.020671448	-0.45961666	-0.34193802	-0.3801799	0.9294926	-0.41306716	0.56422305	0.32710102	-0.33407652	0.689185	0.37784594	-0.090658635	0.53938377	0.827142	-0.4803412	-0.045228127	0.8390227	0.15631686	0.64717615	0.8575565	-0.05138827	0.05037307	0.8887453	0.14925478	-0.7184724	0.44885942	-0.35711902	-0.99984586	0.29961413	0.15403704	-0.7781605	-0.5233677	0.3385155	-0.9904381	-0.5867047	0.5406471	-0.42725185	0.28866896	0.09862677	-0.7280832	0.26734784	0.16159856	0.9986399	-0.37387952	0.7160163	0.48938635	-0.08148534	-0.29502586	0.5791867	-0.01822277	0.26366687	0.96662414	-0.9985516	-0.6820256	0.3522043	-0.33505642	0.9975638	0.468927	0.11515563	-0.2760788	0.049626395	0.014754963	0.3294644	0.27526733	-0.13859114	-0.10338526	0.87158734	0.21251905	0.56712025	-0.04327051	0.03246946	0.025403522	-0.2680744	-0.3380398	-0.047709804	-0.018344201	0.496671	0.99998873	0.6264348	0.72896206	0.10876733	0.09478143	-0.3425059	-0.935848	0.05359782	-0.17255975	-0.3826944	0.09947456	-0.9706797	-0.03144367	0.68376774	-0.62863106	-0.5913104	0.34517774	0.16599625	-0.7055578	-0.9888221	-0.27447253	-0.7710504	-0.96083266	0.5895856	0.33218935	-0.3449068	0.04747357	-0.3626647	-0.77838135	-0.84219915	-0.9600434	-0.036927424	-0.6590823	0.3190902	0.5592986	-0.08576267	-0.3276042	-0.73776895	-0.37433207	-0.14178471	0.41771942	0.6564444	0.11616869	0.566454	-0.3354558	0.4868268	-0.960347	-0.14981622	0.15379465	-0.34720254	0.45586932	0.6827739	-0.9624192	0.37698963	0.14883737	-0.15508702	-0.27455184	0.2582505	0.6008382	-0.21534978	0.65958405	-0.8946503	0.033675082	0.13913257	0.4634337	0.16530333	-0.25347957	0.073510624	-0.9037547	0.7104227	0.6977749	0.4620155	-0.8251674	0.40010905	0.6298226	-0.42591506	-0.41564664	0.04990949	-0.5323715	0.029414853	-0.9999911	-0.44157004	0.1285086	-0.13399352	-0.62608486	0.060907952	-0.58783585	-0.6623299	0.21530716	0.3088568	0.12227091	0.08850178	0.6013122	-0.56390446	-0.41861874	-0.9875269	0.18729536	0.71834004	-0.21947259	0.18858682	0.20266566	-0.6137383	0.6992261	0.32799128	-0.29034573	0.4271759	0.117128305	-0.48704532	-0.20768079	0.50026315	0.6616099	0.9441714	0.045860704	0.36597165	-0.30075014	-0.6972941	-0.7265986	-0.64148915	0.2870427	-0.36300227	0.14776978	0.41855538	-0.99667954	-0.3669443	0.5034802	0.11843983	-0.5061326	-0.18912563	0.23202993	0.3267094	-0.4299762	-0.28353217	-0.08108743	0.44715613	-0.773447	-0.42886084	0.7571343	0.3734154	-0.9385932	0.8824042	-0.44798136	0.33419234	0.8595947	-0.65096456	-0.43928584	-0.20993784	-0.85956395	0.42843372	-0.36294252	-0.18802492	0.88377726	-0.14333853	0.98195416	-0.22532628	-0.19709729	-0.23357204	0.41536403	0.33963165	0.96175367	0.6943241	-0.05866832	-0.10426169	0.5517464	-0.24006897	0.42285946	0.48675716	0.6039169	0.9923739	-0.99930876	-0.60318756	-0.12789477	-0.21901093	0.28542593	-0.39220172	0.5752982	-0.347709	-0.94558156	-0.9950644	0.25835267	0.48363647	0.63183725	-0.034095705	-0.4743108	0.11984047	0.019177895	-0.049216554	-0.23411626	-0.4988394	-0.74108756	-0.9999661	-0.31440863	-0.3865178	0.83683485	0.18868735	-0.9544571	0.4291413	-0.41794893	0.20117559	-0.9489151	0.69626516	0.5284407	-0.08978074	0.80878824	0.031928193	-0.011303234	0.66635305	0.98187715	0.61270237	0.25214347	0.92931485	-0.30401397	-0.38620654	0.69122183	-0.21455003	0.7935445	0.38806576	-0.5378976	-0.007730714	0.14482018	-0.5171221	-0.9494267	-0.8371575	0.6796349	-0.033229817	-0.6312627	0.81113017	-0.1575606	0.32915533	0.9996239	-0.14792897	-0.26501802	0.11422852	-0.28854352	0.4900647	-0.30387607	-0.7802656	0.23797555	-0.83822435	-0.8074812	-0.035356455	-0.24675924	-0.62142503	-0.33900946	-0.6624284	-0.052018132	-0.5831333	0.99999976	-0.32717612	0.59251994	-0.47553855	0.3306025	0.4695848	-0.17443296	0.21279022	-0.21082307	0.5809917	-0.38101554	0.05935665	-0.05284228	-0.36789927	0.30831608	0.29283604	-0.51041424	0.087654464	-0.29688498	0.22730069	-0.9899485	-0.22534792	-0.8108996	-0.8553457	-0.17521036	0.67763937	0.33567023	-0.24931487	0.12638462	0.23076163	-0.7174662	0.50275433	0.31158668	-0.2032342	-0.050053008	-0.53525656	-0.12330309	-0.60520864	-0.4049536	0.17123595	-0.80478483	0.9999999	0.122003965	-0.98189914	-0.23022436	0.991949	-0.87382466	-0.45268643	-0.9999661	-0.4706658	-0.97906995	-0.13945945	0.022252243	0.61546427	0.36761162	0.5070789	-0.98158145	0.25152898	0.24392916	-0.39009067	-0.049257576	-0.25906196	-0.68462545	-0.9993415	-0.9927455	0.40969062	0.83730704	0.40258738	-0.15381934	0.5050332	-0.43611348	0.94759005	-0.6498463	0.11917706	0.7748524	-0.5970655	-0.33146363	-0.41211325	0.008077335	0.7708198	-0.0290823	-0.40173525	0.9091836	-0.9964144	-0.4098893	-0.44686213	0.65882534	-0.13637432	0.23966019	-0.9287723	0.6795781	0.2642629	-0.3124347	-0.37436673	0.54104435	0.37264508	0.8662858	0.018133461	-0.99454874	0.8009145	-0.123349585	-0.29617018	-0.061880913	0.35140082	0.098910704	-0.8868395	-0.47928256	-0.99862766	0.6178807	0.19024085	0.10050925	-0.4263717	-0.47588336	-0.23819771	-0.5801396	-0.54582053	0.426021	-0.30079216	0.99961334	-0.6145723	-0.36868617	0.020935263	0.67293155	-0.07202771	0.9999234	0.5903993	-0.80803716	0.2962192	0.24039966	-0.3830346	-0.40690085	-0.9995676	-0.28854352	0.51748306	-0.55145395	-0.02812831	0.17651902
276	1	CC(=O)CC(C)(C)O	-0.28257543	-0.1258734	-0.8041863	0.35771945	0.21494429	0.02228083	-0.1361696	-0.09529688	-0.019821417	-0.6661707	-0.23127505	0.071049035	-0.3300606	0.56141055	0.08247647	-0.2399443	0.32821086	-0.45324132	0.6089834	-0.5752714	0.38504523	-0.8870092	-0.11964194	-0.11800914	-0.050648954	0.13994193	-0.1037191	-0.08702685	0.05275639	-0.34696466	-0.41950732	0.78196025	0.6643798	0.22396475	-0.059080947	0.07417764	0.17188095	0.6621835	-0.8155769	-0.73138463	-0.98607653	-0.39169356	0.059806753	-0.18037915	0.5895169	-0.99648076	0.5978271	-0.077437304	0.99668163	-0.113322355	0.37815398	0.2181729	-0.4733318	0.3186016	-0.9281284	-0.21770176	0.13744245	0.95977217	0.23280047	0.20294054	-0.67934245	-0.6779243	0.13929725	0.24195208	0.33361346	-0.28264308	0.84434247	0.28064457	-0.5276864	0.3068123	0.9139044	-0.99893016	0.42921045	0.8405802	0.12941113	0.7380071	0.25904062	0.09533505	-0.1665339	-0.9998985	-0.5589748	-0.3072912	-0.00803289	-0.50483745	0.3017962	0.92473763	0.12027422	-0.61134565	0.2650782	0.27087775	0.20860067	0.7218569	0.19663288	-0.35097218	0.8992159	-0.003102218	-0.46674836	-0.24474886	0.33449098	-0.3792852	0.3211014	-0.001490588	0.15029672	-0.89302754	0.9825569	0.047073632	0.19948234	-0.17335829	-0.7233612	0.16445264	0.098381564	0.105548956	0.046655808	-0.4984829	0.19216925	0.19256712	0.48659208	-0.59751487	0.99892646	0.1099453	-0.057214417	0.27488744	-0.41460484	-0.27249524	0.028403623	-0.07483026	-0.023116566	0.18376862	-0.4620428	0.9952941	0.4770337	-0.32897827	0.21145177	0.023634315	-0.43692255	0.3974101	-0.27669814	0.2795583	-0.38412517	-0.17689332	0.99931985	0.3942229	0.9786567	0.4424594	-0.3848575	-0.100134484	0.5266457	0.21933721	0.99553555	0.452756	-0.23794578	-0.7765596	-0.19503921	0.37503234	0.10390148	-0.07496346	0.31186116	0.99938166	-0.5508033	-0.926485	-0.992367	-0.3490555	0.03484894	0.23247288	0.014528823	-0.12024547	0.5698176	0.40568557	-0.23224176	0.002095113	-0.8495909	0.49985906	0.39733124	-0.2782118	0.21652025	-0.9701104	-0.78171825	0.16438596	-0.5907175	-0.067066155	0.06545816	-0.79321104	0.070484444	-0.35272887	-0.79438955	0.11252006	-0.22360307	0.5363274	-0.2064554	-0.41234604	0.15720297	0.61581814	-0.13413492	0.7356786	0.36511394	-0.35295486	-0.13661754	-0.6294738	-0.51179004	-0.3090754	0.100026324	-0.14609107	-0.3975444	0.016120845	0.5873415	-0.22629075	0.110642515	0.18096028	-0.08485349	-0.08375975	0.014732893	0.17963113	-0.07108178	-0.46499345	0.34466848	0.21897826	0.017845023	0.014867344	-0.035879914	0.17018671	-0.45395976	-0.038515083	0.32257852	-0.145514	0.992298	0.11405201	-0.43258125	-0.012035029	-0.36681455	-0.5939323	0.37165615	-0.37257144	0.28561756	-0.68726647	-0.20446979	-0.25899127	-0.48671472	0.35422167	-0.5579159	-0.019614462	0.924648	0.4614542	-0.455127	-0.05913033	-0.70284706	0.020621957	-0.33758742	-0.000268254	0.42371982	0.18585104	-0.13309196	-0.99967873	0.2421822	0.37461594	-0.25220293	0.102912314	-0.72246677	0.060963582	-0.15245967	-0.34575754	-0.37286815	0.56960297	0.18759568	-0.16317314	0.036341194	0.08416355	0.6413517	0.36872098	0.42406067	-0.052630402	-0.67906016	-0.3454265	0.11693294	0.12002271	0.38096744	-0.19178408	0.32722157	-0.1639297	0.19385557	-0.31767458	-0.03331809	0.9992185	-0.25752813	0.09373859	-0.31702313	-0.17141642	-0.46630532	-0.68406725	0.072288595	-0.4148627	0.11251304	0.9993651	0.09451524	0.82276255	0.2290648	-0.3289241	-0.998601	-0.4261057	0.23585941	-0.36589783	0.42789504	-0.11572356	-0.25396305	-0.228005	-0.4298585	-0.33454978	0.99940544	-0.23787811	-0.16165538	-0.38498646	-0.3438768	-0.028219733	0.12788638	-0.24299854	0.44037643	-0.17257556	0.36093125	-0.15897113	-0.9857811	0.064129606	-0.18888506	-0.22070651	0.19633974	-0.37379748	-0.044057116	0.10594779	0.35667497	-0.8376975	0.015649106	-0.5092358	0.1350891	-0.10206844	0.07291727	-0.04450084	0.54731005	-0.66554666	-0.25763682	0.15548417	-0.527254	-0.17019333	0.75131226	-0.29337043	0.4802464	0.49045625	-0.26693156	0.6000724	-0.025283331	0.22274396	0.6092404	0.9753813	-0.9928592	-0.054357674	-0.2732332	0.25609085	-0.20082702	0.116236866	0.06027418	0.98039716	-0.38368347	0.14288487	-0.31552827	0.6639136	-0.23956986	-0.4414429	-0.41072488	0.1653995	0.17901535	-0.3235212	0.43687266	-0.38305345	0.39044932	-0.033148073	0.24475753	0.95512366	-0.034014177	1	-0.027498055	-0.48561448	0.19432	-0.5203836	-0.9254152	-0.011086393	0.3420736	0.14937621	0.5829314	-0.060317006	0.16962603	0.29420015	0.18996203	0.09520686	-0.037666094	0.14635983	-0.5796299	-0.09806379	-0.3265267	-0.63241345	0.29637903	0.82244176	0.6509521	0.4881298	-0.8518078	0.27154568	0.3241607	-0.8234091	-0.33644903	0.33873737	-0.7161991	-0.36997664	-0.52465534	-0.6311494	0.4851707	0.7994815	0.043494515	0.32513404	0.6277434	0.19728908	0.99992293	0.42272905	-0.79899395	-0.44466335	0.9865228	-0.097044736	0.086041965	-0.9970117	0.3063537	0.5871788	0.0100392	0.4319312	-0.14370646	-0.12311357	-0.21835706	0.8331952	-0.000135951	-0.36279023	-0.22229335	-0.5881361	-0.24791145	0.043866087	-0.99987745	-1	-0.9967815	-0.7951389	-0.17314391	0.60362834	0.4322569	-0.2731629	-0.5926494	0.56719416	0.16341117	-0.25643048	0.060845885	-0.09622647	0.5346951	0.33409283	0.31529	-0.091305025	-0.19307679	-0.9952854	-0.9998793	-0.29911232	-0.6475772	0.57249755	0.080809966	0.11943268	-0.87380105	-0.22772723	-0.42581674	0.33154723	0.036057062	0.30138418	0.5144668	-0.8923876	-0.19579141	0.8973536	0.29162633	0.41153497	-0.051922604	-0.5115177	0.19567019	0.31805074	-0.11864391	0.80645597	-0.5998736	-0.074743465	-0.35677314	0.38531473	0.17011602	0.32592887	0.095134564	0.29809076	0.23729502	-0.45229205	0.15629618	-0.9829585	0.4399961	-0.20296548	0.064463496	0.09466797	0.6165532	0.99952847	-0.33263573	0.3736282	-0.31707186	0.13179919	0.25090402	0.00980152	0.847679	0.10498872	-0.6550051	-0.061055545	0.91183066	0.35401145
277	0	C=CCOC(=O)c1ccccc1C(=O)OCC=C	0.98089385	-0.3532291	-0.08835418	-0.07431309	-0.027741352	-0.03724847	-0.106947176	-0.5239685	-0.2666435	0.23042867	0.5170591	-0.38177344	0.21185784	-0.26358905	-0.59743375	-0.12288266	0.56293905	0.42711988	0.29776612	0.48939708	0.24409197	-0.5645768	-0.22379598	-0.000889767	-0.62663746	0.6140014	0.1889721	-0.27674705	-0.24376176	0.5239447	0.6491302	-0.47697356	0.13490456	0.025328053	0.64276016	-0.10109091	-0.089315325	0.31578746	0.9897626	-0.21497151	-0.9412681	-0.4779986	0.28846708	-0.332599	-0.29287246	-0.9275525	-0.34771374	-0.5138168	0.9973033	0.48763612	-0.31555894	0.025630321	-0.36165875	-0.18538027	-0.29357266	0.0863116	0.33182874	0.5115585	0.6423159	0.060593575	0.21119007	0.53313226	-0.10890154	-0.46920872	0.15382466	0.6013148	-0.33774987	-0.6128156	0.46171838	-0.23391947	0.6917675	-0.99118257	0.37053153	0.017897727	0.25254163	0.08115608	-0.6914639	-0.121064596	-0.16889103	-0.9999682	0.091369264	0.146772	-0.7871668	0.03318149	0.115951486	0.29412305	0.009662931	0.23046331	-0.5259781	0.43952852	-0.060186144	-0.459503	-0.3583144	-0.0129663	0.999502	-0.45441747	-0.006339567	-0.36539543	-0.20000449	0.39154655	-0.010176387	0.27064264	0.14004552	0.088978805	-0.81522465	-0.85567105	0.17058125	0.12272074	0.9953931	0.47405648	-0.121904865	-0.12350628	-0.5432761	0.03175204	0.2309678	0.375573	-0.022716567	0.027589932	0.9973671	-0.23765837	0.5272777	-0.6062261	0.21426138	0.08867622	-0.21488413	-0.14829428	-0.38880542	-0.47204715	0.2115433	0.9953614	-0.18214916	0.09390173	-0.002000709	-0.34816474	0.16682896	-0.96744543	0.38151816	-0.15053973	-0.5242054	-0.38958228	-0.9889117	-0.1676625	0.8074671	0.66026884	0.41852483	0.64019805	0.1628888	-0.5069097	0.06897096	-0.37528637	-0.59404075	-0.91958076	0.2558575	-0.25842723	-0.45733154	0.059805986	-0.42947075	0.94303095	-0.714747	-0.89718604	-0.9640555	-0.43930387	-0.5009146	0.5146011	-0.30304578	0.41368872	-0.32536715	0.758683	0.06158619	0.7596167	-0.40312496	-0.15139067	0.50111955	-0.41126302	0.61846733	-0.93011856	-0.40766567	0.061543982	-0.32099622	-0.08076423	0.4308401	-0.99216664	0.43763572	-0.33941224	-0.2274766	-0.5670686	0.45867857	0.17596832	0.19779958	-0.26422516	-0.011419139	-0.27256313	0.10514419	-0.4957104	0.51397943	-0.28636086	0.35637122	-0.9529207	0.32523048	0.12693518	0.28358328	-0.07600734	0.55412775	0.60403836	-0.07103308	0.37723884	0.659461	0.25994644	0.005718306	-0.9998615	-0.37074068	-0.35944232	0.116245046	0.19507973	-0.5624987	0.49128413	0.5009703	-0.09873649	0.3859984	-0.005346426	0.10411219	0.12848991	-0.13733095	-0.5070325	-0.9873187	-0.50896835	0.017010184	-0.40938532	0.012872229	0.4226508	-0.22057039	0.65237314	0.16708504	-0.3479729	0.52949107	-0.028464599	-0.90092707	-0.17821313	0.18880954	0.5478743	0.92721754	0.38104934	0.3884718	-0.5923114	-0.047146518	-0.6925844	-0.2519185	0.5939452	-0.016586512	0.006342503	0.47982395	-0.9974743	-0.42675143	-0.07878527	0.329963	-0.21547036	0.4918432	0.4673812	-0.57014054	-0.16404085	0.16649075	-0.10338288	0.24143282	-0.18664631	-0.6275891	0.7398108	0.1524429	0.066581845	0.8243386	0.15434541	0.4075222	0.8413443	-0.41362736	-0.709462	-0.26111168	-0.87414455	0.5521204	-0.15988106	-0.14221345	0.86010695	-0.11322202	0.99828404	-0.24140446	-0.55002964	-0.01858719	0.4150524	-0.10500991	0.12241601	0.71373874	-0.54026455	0.503178	0.99297047	-0.004399528	0.9305427	0.26837167	-0.22089353	0.99598247	-0.87397796	-0.31332812	-0.7791938	-0.20698434	0.60619575	-0.3129419	0.49458006	-0.5734772	-0.81129843	0.3539801	-0.51943225	0.06325447	0.2359754	0.022839824	-0.25727066	0.07662552	-0.17298745	-0.6087878	0.09450655	-0.46883526	-0.45999253	-0.99989796	0.07268631	-0.09880057	0.58765984	0.17456524	-0.26934895	0.48874813	0.23254576	-0.23852138	-0.72571474	0.6579075	-0.038470224	-0.16531774	0.54919446	-0.38297707	-0.35445786	0.599627	-0.66324186	0.8036582	0.089175284	0.115834594	-0.7128154	0.6193943	0.3008957	-0.46111074	0.8757448	0.111245364	-0.29764247	0.018193616	0.17190853	-0.77181864	0.3915538	-0.9789569	0.61770296	-0.26695192	-0.77741975	0.72812456	-0.2717939	0.3205385	0.99930155	0.37853217	0.45045376	0.1160377	-0.03061261	0.5126854	-0.6824891	-0.37767324	-0.14650548	-0.6290261	-0.06786711	0.14686511	-0.028749969	-0.69553995	-0.13096933	0.104194045	0.6743523	-0.486896	1	0.05363075	0.73552024	-0.18896869	0.12443314	-0.8355057	-0.59049225	-0.5204045	-0.28861177	0.7501067	-0.31054235	0.06760278	-0.07136824	0.39793906	0.5075153	0.53956455	0.13584675	-0.34090832	-0.6969415	-0.23822428	-0.9453059	0.14262025	-0.28736693	0.14058203	0.17201664	0.5183193	0.34660608	0.29264286	-0.12387086	-0.40937063	-0.709498	0.22977675	0.56767064	0.29178613	-0.19365321	-0.73926044	-0.11991312	-0.44124174	-0.3442192	-0.263584	-0.48746532	0.99999976	-0.3635212	-0.9810205	-0.15182829	0.9991671	-0.7077308	0.7901246	-0.9998921	-0.18880707	-0.6892011	0.21997675	-0.6631254	0.17514619	0.30957103	0.21883446	0.2863428	0.59179074	0.8167424	-0.051217984	-0.036891855	0.08159312	-0.6994701	-0.999908	-0.997403	-0.957315	0.540375	-0.3706963	-0.119532175	0.49492553	-0.064699635	-0.5034346	-0.47028258	-0.22798777	0.41514546	-0.81976974	0.3686718	0.1578269	0.09874095	0.5526824	-0.049301375	-0.52551055	-0.683368	-0.99977607	-0.2364733	-0.39512607	0.24859644	0.032722745	-0.3548177	-0.554086	0.61479443	0.42605922	0.08704949	-0.19947515	0.4965398	0.16578402	0.91632557	0.32165587	-0.2945695	0.14913388	-0.32262772	0.46150887	0.112998135	0.13218044	-0.042179704	-0.14073248	0.5397709	-0.9631976	0.6223023	-0.21008812	-0.3085057	-0.46211797	-0.005569975	-0.20190412	0.44778755	-0.27957234	-0.046685643	0.37803295	0.9152622	-0.42584977	-0.5437835	-0.19024867	0.3487777	-0.40301806	0.99983716	0.42010775	-0.8040405	-0.06292236	-0.45975932	0.5745487	-0.12757508	-0.98079664	0.113077655	-0.091491245	-0.3971662	0.012337251	0.19614123
278	0	CCCCOC(=O)c1ccccc1C(=O)OCCCC	0.98557955	-0.25308818	-0.05758174	-0.1269416	-0.11532806	-0.03126003	-0.34763303	-0.5172713	-0.09507734	0.18436831	-0.60319954	-0.31454566	-0.03638597	-0.10706028	-0.58619773	-0.010265728	0.5567033	-0.018576344	-0.028054314	0.15482837	0.28166553	-0.39258462	-0.15656199	0.26975757	-0.31236696	0.48754457	0.18018846	-0.5390098	0.0692874	0.4282718	0.5186035	-0.3556118	0.057291828	-0.25371322	0.8315061	-0.6885962	0.12078738	0.18228903	0.9922393	-0.20307139	-0.96551013	-0.38164917	0.2840555	0.20578411	-0.36534595	-0.8794835	-0.35605997	-0.17305428	0.9989764	0.44227	-0.0870159	-0.10514217	-0.012367908	0.06738566	-0.4436831	-0.17467265	0.76923054	0.5808637	0.58812296	0.45027888	0.16618623	0.67051727	-0.17152177	-0.3672302	0.6499179	0.7739761	-0.18306378	-0.4481106	0.5487995	-0.3263071	0.8258529	-0.9130175	0.48842663	0.004474468	0.5483401	0.25665435	-0.6643595	0.08954922	-0.2699914	-0.9999379	0.16748455	0.43214592	-0.8800089	-0.21196276	0.19390664	-0.6114229	-0.09371652	0.4700166	-0.446876	0.537327	0.1423517	-0.47281152	-0.15144806	0.193181	0.9988652	-0.36340323	0.15144712	-0.119890116	0.046721615	0.35124645	-0.20839101	-0.007269034	0.040786408	0.32919943	-0.86366653	-0.876515	0.26689744	-0.47122374	0.9977051	0.3796604	-0.279541	-0.65078735	-0.47999164	-0.13932309	0.28463364	0.60950345	-0.4984625	0.24361251	0.9958314	-0.4157786	0.7008892	-0.13624452	0.2006202	-0.12521577	-0.10185419	-0.18447962	-0.19162737	-0.7185162	0.06276008	0.99938977	-0.031712994	0.4488432	0.32880628	0.091512024	-0.39570493	-0.972724	0.27830002	-0.09282918	-0.5907349	-0.10882289	-0.98653924	0.09297787	0.8323146	-0.113840096	-0.30417684	0.2263541	0.36132857	-0.3994333	-0.11389896	0.060593348	-0.6529439	-0.9494071	0.41794634	-0.1730455	-0.44899747	0.16520573	-0.4591128	0.89646465	-0.83472794	-0.95995575	-0.93019915	-0.6160305	-0.39980307	0.41366196	-0.47430995	-0.042699188	-0.6232506	0.30381477	0.045211427	0.6166467	0.18215138	-0.10874677	0.60882837	-0.3311819	0.4159068	-0.9648595	-0.32886472	-0.02113995	-0.4910485	-0.08036304	0.6550698	-0.9895551	0.6295154	-0.39096168	-0.48709595	-0.41444847	0.3441653	0.16209194	0.21096025	-0.16116132	-0.2892555	-0.40881738	-0.102891795	0.30795398	0.4920865	-0.042253688	0.40895122	-0.88097876	0.44786167	0.47012654	-0.012272151	-0.45359078	0.5795996	0.60376614	-0.3903688	0.012718136	0.56779236	-0.10393992	0.11830593	-0.9999165	-0.36691335	-0.2824299	0.21728297	-0.44479764	-0.09771397	-0.052931342	-0.4911383	0.12169792	0.35815752	-0.2233964	0.3546477	0.3764342	-0.22010998	-0.72128767	-0.9918971	-0.39128885	0.51289046	-0.46089214	-0.23572896	0.21360517	-0.60982573	0.56433934	0.36395097	-0.32279354	0.42647374	0.18550861	-0.55290234	0.10411545	0.18936357	0.41433814	0.9269232	0.15369172	0.5576099	-0.5986607	-0.14208671	-0.69515395	-0.5773288	0.41553983	-0.3782353	0.20176496	0.47967336	-0.9978968	-0.3212591	0.76740384	0.034296725	-0.50299555	-0.14289492	0.49065146	-0.022411836	-0.37719002	-0.25013933	-0.019930582	0.53851753	-0.144364	-0.6058129	0.7568647	0.13315539	-0.16965786	0.7837995	-0.030905025	0.18760046	0.77508557	-0.6173928	-0.6721897	0.024249509	-0.89171547	0.4907727	-0.04469685	-0.34847894	0.8145153	-0.43280506	0.9980501	0.05231437	-0.43204463	-0.20781441	0.63329715	0.19983885	0.6122706	0.69874525	-0.29061288	0.5921385	0.98878485	-0.43507484	0.912253	0.13116646	0.109561	0.9933648	-0.9700446	-0.26421738	-0.24350229	-0.29500833	0.5698862	-0.2990655	0.43263933	-0.33822212	-0.813438	-0.07863346	-0.12367982	0.35801715	0.74985254	-0.086451195	-0.3251246	0.2610765	-0.027425917	-0.5074849	-0.15929295	-0.5647955	-0.72664994	-0.99996525	-0.63360226	-0.5038212	0.5755787	0.2969956	-0.86628824	0.5677352	-0.2944933	0.095567465	-0.85827756	0.41867504	0.20196262	0.10690987	0.5853333	-0.123336144	-0.30153808	0.4008478	0.24433398	0.76827866	0.20218936	0.7930222	-0.56199074	0.15770873	0.3950649	-0.37581354	0.8284323	0.31742528	-0.3609021	0.043773156	0.49798584	-0.54089046	-0.05968822	-0.9762924	0.7478182	0.3115325	-0.6394509	0.6442446	-0.2754824	0.5321087	0.9995302	0.520828	0.13503313	0.29391026	-0.19261286	0.4801678	-0.41095167	-0.5821048	0.28734618	-0.8049389	-0.49570355	0.26384372	0.36724442	-0.6269769	-0.17137684	-0.21898243	0.603138	-0.008202947	1	0.13345344	0.59364533	0.009284209	0.18641967	-0.42107773	-0.441676	-0.44565812	-0.40468457	0.70304525	-0.34098515	0.37177214	0.2631215	0.163543	0.62568647	0.2585692	0.15573591	0.017588336	-0.43740505	0.07951466	-0.9250501	-0.097152516	-0.50560606	0.14460647	0.3263066	0.40339917	0.3253486	0.12202775	-0.027437279	-0.17065997	-0.64220095	0.45966086	0.50086534	0.31111565	0.043616507	-0.65320987	-0.116965994	-0.40285578	0.10248	0.27776742	-0.55581486	1	-0.61775094	-0.9822011	-0.080104835	0.99880695	-0.751887	0.3339359	-0.9999502	-0.41205406	-0.8904135	0.4038843	-0.46931413	0.29232374	0.46956185	0.39976227	-0.38554037	0.60509956	0.66917026	-0.05135485	0.06255859	-0.006075444	-0.689494	-0.9998841	-0.99827075	-0.919464	0.65787476	0.3373007	-0.32626036	0.21933	-0.14248927	0.09093825	-0.43143812	-0.30551875	0.38284516	-0.8161043	-0.079966925	-0.026731512	-0.5449531	0.7036816	-0.10452691	-0.5633239	-0.54971945	-0.99969536	-0.12415889	-0.48942196	0.16423646	0.3196221	0.033184227	-0.7823615	0.70867145	0.43626633	-0.12192003	-0.36939308	0.5750984	-0.17226452	0.93041706	0.4484264	-0.8278159	0.58346176	0.19222528	0.085308984	0.08087885	0.33179682	0.24902478	-0.573699	0.3286234	-0.9725263	0.432838	-0.31639686	-0.2873103	-0.30408952	-0.14962327	-0.119657576	0.14622921	-0.33978945	0.20994952	0.24009782	0.9635707	-0.2717939	-0.46871468	-0.042923402	0.553009	-0.2018076	0.999877	0.33319122	-0.76254416	0.25529328	0.06588254	0.116824366	-0.3998259	-0.98360556	-0.46861607	0.010616452	-0.47972202	0.045773223	0.06480513
279	0	CCCCOC(=O)CCCCC(=O)OCCCC	0.9751712	0.07323672	-0.36857662	-0.4260397	-0.008943681	0.14697832	-0.53203815	0.007534405	-0.26353273	0.44547057	-0.5526557	-0.20301273	-0.68148607	-0.16507913	-0.045355625	0.21038964	0.65243345	-0.28313866	-0.03669449	-0.110951774	0.47530353	-0.61063707	-0.5021031	0.08015734	-0.26609328	0.33367035	-0.3620062	-0.39457467	0.15843311	0.5566832	0.19203447	0.10757776	0.6220156	-0.27959725	0.8213988	-0.67604464	0.15778705	0.29133514	0.9491057	-0.030802371	-0.94877356	0.42518118	0.27098244	0.34378013	0.08264155	-0.9416651	0.05974027	-0.18195769	0.99905276	-0.4821272	0.29915902	-0.1365849	-0.08991749	0.3687957	-0.4259833	-0.4865341	0.96246845	0.8667114	0.476996	0.48108822	-0.4442338	0.21328157	-0.51020133	0.3177769	0.6149871	0.52574843	0.15107146	-0.706117	0.4352474	-0.54039705	0.8125964	-0.9529734	0.06477457	0.7803026	0.36398175	0.46061394	-0.19410916	0.2614373	-0.06961	-0.99997616	0.29144725	0.27045044	-0.40617618	-0.17713659	0.26389965	-0.18110906	-0.23563118	0.43501326	-0.055665385	0.06216721	0.041688725	0.08802461	-0.25675595	-0.2974975	0.99793136	-0.39291388	0.061433025	-0.1784479	0.35639164	0.5025126	-0.034740545	0.17027433	0.10602807	0.6839493	-0.38396797	-0.8247867	-0.007896475	-0.15868737	0.9953165	0.57093096	-0.49193114	-0.60701853	-0.088231176	-0.04715409	-0.12325199	0.55018824	-0.35023978	0.44658455	0.99561334	0.41728657	0.26221415	0.48169133	0.32254815	0.117420726	-0.42991117	-0.0334774	0.21021537	-0.56247586	0.30671665	0.9988941	-0.06443731	0.40329844	0.56659645	-0.45007417	-0.16966565	-0.9720611	-0.2973271	-0.5057484	-0.22678967	-0.08738805	0.9993371	0.31121776	0.8238298	-0.18347281	-0.5079688	0.089573465	0.41807958	-0.5309142	0.5387184	0.79305845	-0.51500463	-0.9564233	0.6625453	0.22615656	-0.40155613	0.17528352	-0.23885562	0.97225857	-0.6619003	-0.9619973	-0.94498575	-0.8655283	-0.15484634	0.090184465	-0.47708833	-0.31275877	-0.74285334	-0.060851075	0.21071468	0.011781285	0.3982315	-0.1910722	0.4600676	-0.25074697	0.4814615	-0.96678096	-0.24350357	0.24012867	-0.75213385	-0.3321148	0.48870528	-0.9899034	0.7873169	-0.17476292	-0.7414462	-0.29425532	0.2602488	0.34643814	-0.11378608	0.4351576	-0.81453884	-0.16642384	-0.17639919	0.15868138	0.19302414	0.33539218	0.4438434	-0.8786204	0.010609588	0.2802875	-0.10138739	-0.7821259	0.45559287	0.37864476	-0.34797797	-0.28778574	0.25879896	-0.38441133	0.010238895	-0.9997645	-0.29796097	-0.24905154	0.19173202	-0.52065873	-0.14345607	-0.28454962	-0.62449646	-0.10866391	0.31634685	-0.27623227	-0.02121619	0.2834185	0.049083617	-0.2643597	-0.9843705	-0.17826992	0.2909318	-0.29197308	-0.2592336	-0.12737513	-0.3956996	0.108704515	0.3452555	0.04694796	0.6285177	0.21868259	-0.2396472	0.019372221	0.41345438	0.67912036	0.91050565	0.31817567	0.67431444	-0.46132243	-0.8760892	-0.48013094	-0.38527793	0.04961211	-0.2114163	0.19473913	0.48836392	-0.99980956	0.42760748	0.7837541	-0.17522801	-0.17448372	0.013984795	0.5587282	0.2563649	-0.5431369	-0.21440764	0.2874158	0.41358572	-0.3134626	-0.44920412	0.7818978	0.052069277	0.08548584	0.77372175	-0.56111103	0.069687404	0.7798792	-0.750663	-0.41712964	0.1419689	-0.80792695	0.43954918	-0.042875823	-0.15278275	0.766875	-0.5853438	0.9986351	-0.24324828	-0.084401354	-0.38368365	0.59535825	0.39839217	0.6839027	0.6875157	-0.32477483	0.31156614	0.9962207	-0.5927211	0.33817652	0.24160817	0.6807046	-0.9964218	-0.95790297	-0.4650985	0.063056804	-0.40009084	0.121736936	-0.05531204	0.25764143	-0.3989203	-0.8498236	0.5037751	-0.3020798	0.58501285	0.7398582	-0.34178135	0.41734597	0.027723785	-0.2734068	-0.4170107	0.35126638	-0.3589398	-0.6290261	-0.99992836	-0.76296407	-0.46627137	0.14574464	0.13046053	-0.79347193	0.7768372	0.004526839	-0.252378	-0.6875836	0.35075733	0.12521772	0.50705063	0.53823817	-0.010932628	-0.27167377	0.029453453	0.04265865	0.64665496	0.29079312	0.76141703	-0.5915995	0.28469244	0.37062886	-0.42692718	0.80538076	-0.017108185	-0.49891505	-0.001753634	0.41423503	0.09839434	0.469112	-0.9860175	0.54451823	0.48518232	-0.50146854	0.18395293	0.104090355	0.2072077	0.9996905	0.26432604	0.004652293	-0.095567144	0.26118958	0.64059496	-0.12520419	-0.09756591	0.012161465	-0.80193967	-0.50078046	0.33057776	0.4365786	-0.3449586	-0.05100643	-0.8325186	0.6068379	0.16325279	1	-0.18260047	0.41376585	0.18568711	-0.28446868	-0.26846045	-0.6178168	0.7167435	-0.12363364	0.55476433	-0.63072795	0.5320673	-0.37220436	-0.3705376	-0.033078313	-0.27153805	0.37344292	-0.08051987	-0.4852904	-0.4055847	-0.9632265	0.5905987	-0.30308127	-0.6800978	0.66287225	0.43279245	-0.31905314	-0.26978815	-0.4241417	-0.5675238	-0.54924214	0.3378385	0.23372397	0.19375123	0.036835875	-0.64038116	-0.38223827	-0.1948221	-0.42601457	0.031992327	-0.36793387	0.99999976	-0.34795243	-0.8061423	0.1863285	0.99661946	-0.31144863	0.61809576	-0.999932	-0.39750007	-0.9351294	-0.7822192	-0.3242513	-0.13238178	0.46028298	0.35644406	-0.366522	0.7206663	0.39398262	-0.006709984	0.24137014	-0.13193153	-0.3054021	-0.99982625	-0.99999994	-0.92121214	-0.000260804	0.2141936	-0.2219165	0.28074506	0.20895272	0.8548772	-0.3542825	-0.008004896	0.4467162	-0.086929485	0.03948573	0.17765078	0.25621775	0.40749407	-0.58949244	-0.44972843	-0.83164775	-0.9995297	-0.06527649	-0.6753309	0.63828385	0.6290584	-0.024722409	-0.74020475	0.47992748	0.45718053	0.19850636	-0.02426588	0.5090143	0.090706706	-0.8806576	0.34244725	-0.9539883	0.41295344	0.1499569	0.19939964	0.25707754	0.2921393	-0.06594844	-0.4308654	0.650701	-0.98880315	0.7765956	-0.3430744	0.34020385	-0.29472575	0.15190676	0.41775694	-0.52488023	-0.4249951	0.33024788	0.029261287	0.8850942	-0.3508305	-0.85769165	0.26316616	-0.10602901	0.09021323	0.9999912	0.33049262	-0.77272016	-0.021817878	-0.053748127	-0.211452	-0.4220161	-0.9817001	-0.30947495	0.059442107	-0.5744133	0.21333054	-0.40124315
280	0	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	0.9587944	0.03346419	-0.53483325	-0.16981578	0.1393978	0.115868576	-0.5576983	0.35482493	-0.22631364	0.5485741	-0.6959174	0.048575908	-0.6218507	-0.1437048	-0.09784546	0.40984404	0.6406235	-0.39496112	-0.3026497	-0.3123582	0.35119107	-0.32292002	-0.5987343	0.110875465	-0.020186711	0.5759522	-0.094419174	-0.36075646	0.21170127	0.5461565	0.14387856	0.058945592	0.6477633	-0.32566416	0.7450943	-0.73967457	0.18926942	0.44089606	0.9935597	0.10477421	-0.85175514	0.5582563	0.085099734	0.32407847	-0.029733751	-0.71450496	0.1149798	-0.23187293	0.9987411	-0.5938289	0.15694225	-0.07163332	-0.013241379	0.43029878	-0.4117239	-0.4155103	0.98109305	0.6290144	0.34216657	0.51350135	-0.55917305	0.33159804	-0.37362325	0.53259575	0.71886075	0.37788162	-0.2473707	-0.5581183	0.6486119	-0.4259553	0.76110035	-0.50333637	-0.18703322	0.7903489	0.6101594	0.59453964	-0.04908931	0.17320055	-0.011530926	-0.9999696	0.4357349	0.22524303	-0.41553134	-0.27709457	0.4052818	-0.8165973	-0.38122416	0.632913	-0.28360024	-0.06511409	0.031874567	-0.13972187	-0.065347366	0.27472225	0.9978483	-0.4673242	0.5926518	-0.13112597	0.23037288	0.3679174	0.22911185	0.16702794	0.358556	0.93416715	-0.9360602	-0.706901	-0.026421456	-0.028436268	0.9935083	0.4236076	-0.16920923	-0.55207497	0.29367626	0.10658211	-0.13705824	0.5682062	-0.3120071	0.54796225	0.98499787	0.5817784	0.3439479	0.5975708	0.33214492	0.33239445	-0.42056465	-0.12802812	0.5069791	-0.3100775	0.24022263	0.9998358	-0.25864643	0.4798177	0.6711461	-0.40025514	0.02782854	-0.96851194	-0.24795882	-0.4187255	-0.12880085	-0.115884684	0.9991464	0.52526796	0.76922905	-0.1577932	-0.44946957	0.29318228	0.14097053	-0.44121087	-0.53543115	0.7596826	-0.443402	-0.93996876	0.8211805	0.08291795	-0.5393841	-0.06050225	-0.5187071	0.7323482	-0.6642892	-0.9598845	-0.810625	-0.93990505	-0.17276555	-0.12693521	-0.42541975	-0.12508427	-0.85347164	-0.30765304	-0.020068718	-0.22164366	0.500518	-0.31186447	0.30204368	-0.34506163	0.44957143	-0.9618004	-0.2031106	0.38613686	-0.7102437	-0.30408886	0.39123392	-0.98318917	0.7845107	0.045178287	-0.64867026	-0.03536515	0.4675295	0.46231616	-0.3430829	0.49667183	-0.8939148	-0.16837533	-0.34731624	0.2119218	-0.2133722	0.44510916	0.4377334	-0.898989	0.09744749	0.34814152	0.008408215	-0.80138284	0.30214798	0.47623733	-0.32488915	-0.032308355	0.16264422	-0.67000157	0.1655687	-0.9999475	-0.025277307	-0.1798819	0.217123	-0.6307192	-0.20113325	-0.45848203	-0.73861647	-0.26014346	0.12218736	-0.1412671	-0.16174322	0.14594975	-0.3209519	-0.3334086	-0.97803307	-0.18339044	0.23260456	-0.55784935	-0.17280474	0.05807634	-0.2837026	-0.026393473	0.39993787	0.13739732	0.4692715	0.30435756	-0.24199653	0.17518112	0.2542294	0.58101	0.9235194	0.40314803	0.8163819	-0.12857859	-0.9416386	-0.46693912	-0.099243544	0.08517106	0.013242165	0.22501855	0.4500307	-0.99975866	0.4646246	0.7960181	-0.035274807	-0.001872388	0.004632879	0.481419	0.20986111	-0.5329776	-0.179848	0.4503764	0.031953007	-0.39209262	-0.4111535	0.70162845	-0.031382892	-0.25306502	0.8678569	-0.6551073	-0.09345991	0.9124495	-0.8498141	-0.38924196	0.46692157	-0.71365917	0.3829268	-0.13550986	-0.110818155	0.68659	-0.60318184	0.9970822	-0.3869837	0.04708483	-0.5113905	0.5471234	0.6450832	0.8779767	0.56025404	0.035962254	0.3126835	0.97914886	-0.4440686	-0.2736135	0.12663342	0.8438275	-0.9932947	-0.9940755	-0.46277717	-0.06357317	-0.32088277	-0.034946956	-0.24893582	0.18927473	-0.30838126	-0.91049814	-0.77815723	-0.08473507	0.4463455	0.8270492	-0.25546136	0.54324263	-0.23620087	-0.23987927	-0.21259558	0.2759441	-0.21004671	-0.7539496	-0.9998853	-0.6906484	-0.501094	-0.16229798	0.094738565	-0.8890909	0.77597797	-0.08196783	-0.058908332	-0.7945791	0.4659349	0.14995284	0.45888525	0.6940215	-0.028839407	-0.23405421	0.175317	0.7812719	0.60807705	0.12340255	0.8354082	-0.55027306	0.33916575	0.3910991	-0.29084414	0.8107012	-0.34101987	-0.20065448	0.14633927	0.18748382	-0.10879708	-0.36349967	-0.9708913	0.5935452	0.51904154	-0.67864835	0.12777933	0.17681532	0.13315962	0.999703	-0.042303354	-0.0623817	-0.13804658	0.03329995	0.69579256	-0.03454636	-0.3497664	-0.012242202	-0.84164083	-0.72481006	0.24060783	0.4443176	-0.51926655	0.037333544	-0.9012867	0.32570276	0.05215772	1	0.1080363	0.34972274	0.21770291	-0.20640162	0.24020097	-0.4322322	0.7940642	0.2152336	0.4956836	-0.69826055	0.57572263	-0.4906885	-0.51446605	-0.08481594	-0.62366927	0.13179508	-0.08644104	-0.45155275	-0.3936737	-0.9885622	0.40069637	-0.4953921	-0.86895674	0.43783528	0.5995299	-0.46029508	-0.49199316	-0.46350285	-0.5939681	-0.7441492	0.45222896	0.12439771	0.11280925	0.1792473	-0.58001804	-0.5485053	-0.06838122	-0.52147365	0.29518288	-0.1715958	0.9999998	-0.18280189	-0.79404426	0.14555272	0.9917842	-0.39791602	0.7544873	-0.99994767	-0.41422036	-0.97210556	-0.8453639	-0.4335382	-0.30513138	0.2690147	0.445242	-0.8675742	0.7452486	0.16137516	0.023857601	-0.027247889	-0.12987365	-0.4556995	-0.9998217	-0.9999999	-0.5911234	-0.004571987	0.08416299	-0.028650187	0.3535579	0.09324515	0.95910084	-0.12764154	0.008204036	0.06239959	-0.003041444	-0.23895997	0.023355376	0.3053755	0.28548983	-0.5491901	-0.38545635	-0.11393226	-0.99918216	-0.3309281	-0.7477866	0.70214885	0.6583618	-0.09995233	-0.8347481	0.33057445	0.19428854	-0.09340006	-0.1600568	0.59550595	0.13877577	-0.88798994	0.37215012	-0.9937341	0.41039202	0.30868033	0.1483738	0.32252026	0.4932708	-0.11945627	-0.16070293	0.41184774	-0.99642706	0.6813741	-0.25105762	0.47576565	-0.3648255	-0.17982319	-0.015241246	-0.8330832	-0.54142773	0.5107096	0.10391148	0.9924563	-0.11702144	-0.7986002	0.206468	-0.056957502	-0.0946284	0.99999285	0.6852958	-0.8293222	0.14382218	0.1384231	-0.44806963	-0.22825739	-0.99790454	0.07258395	0.21103269	-0.5784498	0.3822926	-0.38942146
281	0	COc1c(Cl)ccc(Cl)c1C(=O)O	-0.753402	-0.1175976	-0.75145	0.15215687	-0.38865295	-0.3535066	0.29451978	-0.30143258	0.15597178	0.16847174	-0.33853537	-0.19557871	0.40032414	-0.4973597	-0.20657805	-0.39300796	-0.32250693	0.1301599	-0.17697896	0.01085312	0.4672757	-0.7451475	0.6863924	0.25655457	0.14948155	0.100823104	0.50673103	-0.12304257	-0.14236934	-0.14704686	0.3378936	0.6719393	-0.4181405	-0.35921517	-0.11157433	-0.6788301	0.46933597	-0.35969839	0.61361676	-0.78658193	-0.99643284	-0.4572148	-0.21865712	0.019229848	-0.17178068	-0.99171805	-0.43476993	0.13447833	0.80875665	0.53529614	-0.4550766	0.14221294	0.39336333	0.19892408	-0.929154	-0.0403115	-0.72370195	0.8798347	0.11295887	0.31425413	0.36512426	0.49668467	0.57129437	-0.007787383	0.46707156	0.57875735	-0.046638638	0.33489648	0.25350395	-0.30821195	-0.51021224	-0.9683591	0.2994086	-0.2844589	0.25882033	0.44196188	-0.5403031	-0.30338657	-0.22689188	-0.9992286	-0.25971222	-0.35354462	-0.90492743	-0.41618994	0.3502601	0.14636962	0.37997335	0.5346833	-0.5177104	-0.12178664	0.24423365	-0.06379139	0.37605488	-0.1964296	0.98665756	-0.41882962	0.1754773	-0.05835195	0.56704324	-0.28535053	0.83219486	0.069887646	-0.06850131	-0.85761374	0.81128055	-0.5064495	0.56527823	0.3361392	-0.9204142	-0.14946315	-0.10443661	-0.011023421	-0.4913802	-0.29964033	0.416841	0.56694806	0.47638085	0.19584617	0.99960405	-0.40971696	0.2577414	0.10833182	-0.4541841	0.3780398	-0.28593102	-0.069806	0.14799923	0.13632669	-0.64437836	0.99912333	-0.39227527	-0.62168556	0.70294195	0.4905593	0.58785963	-0.9446332	0.8520747	-0.107615285	-0.7850829	-0.050369877	-0.9911583	-0.3338337	0.97895896	0.38870686	-0.24558648	0.27869266	0.18996905	0.20988256	0.9884191	-0.6741628	-0.19879362	-0.50860554	-0.48393193	0.17424047	-0.6149458	-0.47957242	-0.63189626	0.9981361	-0.8318821	-0.85372716	-0.99035734	-0.1552516	0.05207232	0.36778092	0.34371936	0.28740713	0.02086063	0.4092782	-0.29598227	0.4892685	-0.84511656	-0.30353212	-0.26264244	0.029604597	0.64528024	-0.97590715	-0.81046695	0.10644138	-0.13107209	0.10371512	0.005976246	-0.9265531	-0.10181004	-0.4746647	-0.75126374	-0.4192042	0.050465614	0.3009213	-0.06462331	-0.24216086	0.9049714	0.2558157	0.40935123	0.096615925	-0.3575745	0.49832404	0.35729122	-0.29799318	-0.47923338	0.35504702	-0.008281025	0.650221	-0.45350534	-0.51428	0.07053925	0.5275686	0.37176168	0.4313969	0.24519177	-0.9832815	-0.35201335	0.0969253	0.16424723	-0.07254421	0.11332119	0.36954352	0.15781291	0.028016107	0.007421556	0.27535626	0.10344604	-0.42754117	-0.47002918	-0.56053334	0.9944306	0.13598959	0.14702001	0.27237695	-0.09509827	0.17814487	-0.36229527	-0.020455604	0.4204411	-0.6339148	0.15940288	-0.65156186	0.39754832	-0.28978345	-0.65607244	-0.47254902	0.9051858	0.6936503	0.053944103	-0.55068827	0.5902563	0.18647051	0.14335313	0.34706038	-0.48555076	-0.62279093	0.30719668	-0.9986996	-0.37403226	-0.2983747	-0.01591253	-0.5009846	0.13634746	-0.36401552	-0.2866841	-0.26880816	-0.26551983	0.5936566	0.55872244	-0.3546119	0.1327541	-0.1167159	-0.36909357	0.04368622	0.54075396	-0.31522888	0.26940262	-0.5825223	0.36138877	-0.041112605	0.45966703	-0.16527514	-0.103702486	0.035466302	-0.23444721	0.36478734	0.14330812	0.99933046	-0.13282506	0.42629457	0.16679244	0.36992568	-0.16592903	-0.33377758	0.2341072	-0.21021359	-0.2644057	0.9992841	0.1865517	0.92654103	-0.20785132	-0.24674593	0.9976796	-0.9413242	0.073093995	0.37264377	0.2786575	0.114173494	-0.5777316	0.12779354	-0.12279627	-0.45541644	0.9885448	0.60449475	-0.68190193	0.50011146	0.14470504	-0.42847875	-0.13212475	-0.27583292	-0.09844028	-0.39364666	-0.29317835	-0.54790974	-0.97419846	0.2033297	-0.11783185	0.50338477	0.3814301	-0.7138087	-0.26851568	-0.047534633	0.42981207	-0.9771336	0.032154474	0.199233	0.1216982	-0.16657782	-0.3765267	-0.3129478	-0.38109568	-0.14071229	0.12890759	0.40559092	-0.4928488	0.5098568	0.37471813	-0.5969033	-0.034869235	0.11240825	-0.28269997	0.1544568	-0.22482347	0.25266433	0.26303244	0.87440884	-0.9946375	0.09179858	-0.30942664	-0.45099053	0.33645117	0.26462215	-0.2032433	0.99773437	-0.264862	-0.24217309	0.47837988	-0.19896296	0.024230048	0.29414096	-0.7052716	-0.6328358	0.38862577	-0.04310681	-0.27722555	-0.14237855	-0.18396665	0.113636136	0.73896694	0.8958695	-0.05588609	1	0.13483064	-0.20374107	0.07515416	-0.51936615	-0.92237943	-0.3187882	-0.49061957	-0.17624371	-0.55760837	-0.21815774	-0.17279331	0.16988349	-0.24334905	0.81088597	-0.19938059	-0.1561838	-0.25616813	0.07194065	0.33106887	-0.66364294	0.5649961	0.33895513	0.90803283	0.43522805	-0.6683213	0.055467132	0.13421075	-0.2449504	-0.13597651	-0.020454189	-0.027476659	-0.34761474	-0.66875434	0.10382956	0.24618673	0.37619978	0.21480723	-0.3302794	0.65299106	0.0740965	0.99996775	-0.35865358	-0.9777707	0.13574235	0.9987898	0.101104684	-0.048920225	-0.9983977	-0.18177834	0.72408277	0.6747752	-0.36620563	-0.20185342	-0.51433706	0.47245005	0.22855014	0.09431544	-0.285044	-0.23530258	-0.4995993	0.19928907	-0.26607645	-0.9999786	-0.9991669	-0.99699724	-0.20007747	0.07004111	-0.13373704	-0.02241425	-0.774325	-0.90252876	0.4048718	-0.32907164	-0.039640658	-0.90674984	-0.19456598	-0.4743265	-0.07161115	-0.11556086	-0.80500257	-0.13671415	-0.9735214	-0.99993926	-0.35736242	0.43568218	-0.53849995	0.12637654	0.529801	-0.93084615	0.4457952	0.2033518	-0.36306635	0.3391257	0.028039765	0.22300386	0.92432314	0.63561517	0.8669841	-0.40924767	-0.41845357	-0.24947768	-0.5314684	0.04757496	0.20931767	0.056018066	0.15594535	0.71577144	0.15158552	-0.5030838	-0.17974618	0.10779227	0.08556387	-0.7758786	0.71314067	0.09597341	0.22407071	0.39411443	-0.46714884	-0.41122916	0.04968678	-0.045241497	0.20988382	0.04486845	0.99926835	0.4960495	-0.063494615	-0.11644251	0.58561236	0.074755765	0.5164556	0.014201601	-0.48660076	0.5189537	0.5816358	0.80767685	0.05333116
282	0	O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl	-0.55347836	-0.5225353	-0.5761131	-0.19393998	-0.4957662	-0.09071706	-0.11609458	0.29042453	0.3892384	-0.23657827	-0.714233	-0.39328283	0.0661339	-0.5825568	-0.56509405	-0.057937954	0.32157832	0.076569386	0.39955947	0.025775256	0.047045983	-0.75029236	0.26948652	0.2992318	0.00526851	0.74456614	0.3444681	0.17228922	0.18599097	-0.5818711	-0.20032081	0.08291001	-0.22549361	0.17340916	-0.14477956	-0.5412716	0.5326956	0.5873235	0.97958606	-0.81741256	-0.9852457	0.000723833	0.035541702	0.09672727	-0.3806163	-0.9465041	0.10023571	-0.24775021	0.71553373	-0.23109108	-0.11563465	0.29243225	0.18008304	-0.42716494	-0.85861236	0.3863575	-0.46132514	0.530934	0.5601984	0.037880443	0.14531896	0.6722111	-0.27460384	-0.3703584	-0.36033818	0.087676875	0.10048301	0.4367962	-0.058496237	0.5399065	-0.93206173	-0.95906776	0.53678876	-0.7013896	0.14800617	0.2193993	0.2245146	-0.07296742	-0.009175762	-0.9991479	0.13713202	-0.35963905	-0.93282473	0.06811093	0.0980371	-0.7755811	0.0806463	-0.46503043	-0.6253342	0.497342	-0.18298009	0.21695374	0.08029787	0.66550773	0.9845725	0.05349436	0.18479498	0.027472354	-0.25796962	-0.6545796	0.89646953	-0.2138546	0.1046898	0.792468	-0.69460416	-0.261117	0.36855853	0.7098656	-0.8692313	-0.5015235	-0.26983017	0.13061526	-0.2550716	-0.12034845	-0.24359262	0.30304685	0.83505327	0.08264304	0.99825364	-0.14619835	-0.19735259	0.42082575	0.063028045	-0.021598337	-0.28546226	-0.32913786	0.11856396	-0.21252072	-0.09848827	0.99980855	0.065652415	0.39849135	0.7992269	-0.47545618	-0.13274603	-0.9736675	0.16824023	0.5223581	-0.5634263	0.4296271	-0.99986655	-0.2932715	0.9046917	0.1550547	0.24480452	-0.1240111	0.4637225	0.2307044	0.7603159	0.4700061	-0.31610665	0.48393655	-0.21645632	-0.31196398	-0.5834642	0.3953373	-0.4657253	0.955931	-0.57636076	0.27912986	-0.9600244	0.025779715	-0.29099908	0.3501656	-0.06997173	-0.012846433	0.082799196	0.6226668	-0.6857413	0.66472566	-0.2469628	-0.1685472	-0.4430036	0.32605067	0.54097444	-0.96373415	-0.7388514	0.24999996	0.005028838	0.40842196	-0.43844235	-0.95128256	-0.15945327	-0.28601617	-0.5887212	-0.6684627	0.026496705	0.098245725	0.20206645	-0.19584496	0.26834238	-0.35914353	0.5360685	-0.11854692	0.32929984	0.43366337	0.5487171	-0.44467276	0.46613264	0.24552621	0.21731614	0.029620066	-0.5400631	0.31499314	0.76235527	-0.34625953	0.43867633	-0.47671893	0.41071185	-0.9991421	0.08714311	0.46261013	0.4180125	0.07387436	0.3293599	0.003371893	0.09470882	-0.6265743	0.48861083	-0.16446976	-0.30220592	0.5145492	-0.75054926	-0.15976168	-0.9532334	-0.06866301	0.24568477	-0.068092	-0.017741866	0.44912985	0.36140615	-0.17748162	-0.18947126	-0.6928238	0.2192428	-0.3906791	0.22254953	-0.059278365	-0.53738546	-0.74202037	0.13980739	-0.20953688	-0.27491525	0.30634615	0.6756906	0.13263881	-0.22279277	-0.18165259	0.5735407	-0.042979326	-0.2668359	-0.97951525	-0.7601593	0.5501778	0.03068424	-0.3129853	-0.050844926	0.5896978	-0.6469607	-0.29479408	0.027280947	0.11167112	-0.13512762	-0.5035895	0.772878	0.3833875	-0.4843898	0.16270584	0.7864956	0.4833535	0.016464762	0.7597802	0.4449813	0.13214771	0.43423468	0.76933277	-0.2574583	0.21436949	0.030440953	0.08440883	0.07710886	0.9993152	-0.29935056	0.28865862	0.3641873	0.44735077	-0.48274097	0.08227772	0.32635164	-0.021371383	0.002938996	0.9952433	-0.710993	0.6972679	0.55731374	0.3749085	0.99992615	-0.9757957	-0.06340041	-0.26659116	0.72208494	0.054548156	-0.54760116	0.4203305	-0.046060637	-0.6211986	0.1907792	0.02597458	0.22693558	0.03218371	-0.19236097	-0.6910875	0.23563859	0.54527664	-0.33490354	-0.16379568	0.42023623	-0.27664536	-0.9845807	0.2651911	-0.060808055	0.36483893	-0.5120118	-0.7052444	-0.21957234	-0.06578402	0.35966673	-0.92037123	0.40509725	-0.5278373	0.41016245	0.27797267	-0.16271332	-0.020009348	0.76750416	0.06225678	0.24013898	0.16085446	-0.08937008	0.5386918	0.38187355	-0.31428963	-0.24927175	0.552664	0.6299613	-0.427714	-0.42407754	0.6680729	-0.39697346	-0.12658839	-0.9897916	-0.16110408	0.014119389	-0.29264647	0.23155913	-0.24089552	-0.913231	0.9997867	0.40101784	0.21104075	0.54662615	0.13775495	0.34788337	0.3285069	-0.8224084	0.12633461	0.3202621	-0.5246004	-0.13263465	-0.041168623	-0.20771402	-0.41358432	0.32632053	0.6671837	0.19950894	0.99959385	-0.12740664	-0.696082	0.30585146	0.3434819	-0.34477058	0.19105618	-0.3071005	-0.5205144	0.49034816	-0.16422899	0.3101286	-0.6373574	-0.0881531	0.6549605	-0.4724704	0.30040938	-0.7574932	-0.068348534	0.33270094	-0.39035395	0.46996394	-0.086124726	-0.24170305	0.2714974	-0.078980096	-0.012282635	0.508628	0.029382924	-0.46836236	-0.1117542	-0.31501874	0.35190833	-0.16484816	0.8234038	0.31959686	0.46401298	0.46855906	0.4829932	0.5518474	0.3960305	0.9999833	0.023138383	-0.9876564	0.22690818	0.9994729	-0.7843896	0.38435674	-0.9993968	0.18417701	0.2264869	0.13462442	-0.58634794	-0.25826234	-0.10137816	0.5243362	-0.030304195	0.30757213	0.33910686	0.21679923	-0.354471	0.69976884	-0.18045388	-0.9999924	0.9828627	-0.91743267	0.5122869	-0.18496731	-0.2719402	-0.4535198	-0.043383222	-0.74985737	-0.15259342	-0.06949637	-0.3069506	-0.87653726	-0.05983507	0.42036685	0.35553357	-0.47324303	-0.19091086	-0.50688654	-0.5530851	-0.99991924	-0.369344	-0.27278793	0.15528724	-0.5154085	0.7847763	-0.9157459	0.19920968	0.52431756	-0.38589984	0.006781384	0.160467	0.09773185	0.9596701	-0.41468155	0.83606285	-0.016352864	0.24621685	-0.032497257	-0.1508248	0.082636416	-0.08262726	0.5650951	-0.48589063	0.82276577	0.63152	0.08882788	0.10024524	0.22106741	-0.1454225	0.049827624	0.6551336	-0.17270103	0.009953184	-0.18693623	0.92076063	-0.57918125	-0.34835276	-0.41627643	-0.3965679	0.056090947	0.99987155	0.74825555	0.6139356	0.023120137	-0.23519675	-0.6050803	0.5363306	-0.91104674	-0.13314503	0.29562664	0.39703047	0.6423417	0.018895524
283	0	CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12	-0.1732043	-0.112754226	-0.649748	0.45749623	-0.67029464	0.59495157	-0.36098194	-0.004775646	-0.34175232	0.0293045	-0.080759905	-0.3772079	0.25531453	-0.106232956	0.122497685	-0.71867704	-0.39400384	0.49583423	-0.3555777	-0.062145438	0.5541406	0.34120217	-0.45276988	0.50626296	0.101759546	-0.6146128	0.7554744	0.23724912	-0.47289857	-0.60149604	-0.31865233	-0.3354068	-0.47629952	-0.49553287	0.38683182	0.5486217	0.04908724	-0.4532497	0.9995605	-0.20970686	-0.5901565	0.26991862	0.50043917	-0.2766401	-0.023661742	0.21719372	0.6884856	0.03846333	0.19280356	0.44643143	-0.5458988	0.001714448	-0.061234925	-0.34701583	0.18715021	0.050776277	-0.776561	-0.85535115	-0.05240514	0.065761924	0.1583763	0.6512783	0.3871245	0.6234123	-0.46722025	0.18532707	0.1535786	-0.50217986	-0.75123835	-0.48572886	-0.9926326	-0.9863599	0.5467251	-0.9421972	-0.31130597	-0.46349293	-0.5289743	-0.10739519	0.23222151	-0.9997785	0.23448038	0.45205894	-0.97802734	0.18578385	0.34711045	-0.7782127	0.21700603	0.50181055	-0.26222458	-0.1068844	-0.7640315	-0.2157191	0.05333729	-0.5016577	0.9999156	-0.4139629	-0.07541114	0.68301874	-0.3592054	0.15951139	0.10158504	-0.39878178	0.5742302	0.81899035	-0.996911	-0.99440324	-0.5801108	0.06043572	-0.94655645	-0.11206558	-0.09468445	-0.39114717	-0.42790335	0.16166058	0.51323456	-0.6825808	0.68081343	-0.5994953	0.9807012	-0.31282803	-0.3452419	-0.2520897	0.017265264	0.5897695	-0.33914196	-0.7731354	-0.24892451	-0.464201	-0.59357285	0.99693716	-0.41408613	-0.23217557	0.4556569	-0.3949797	0.72779673	-0.99624705	0.059263043	-0.36231157	-0.17329691	-0.031083586	-0.9999897	-0.26941183	-0.21615674	-0.37090436	-0.671277	0.15692255	0.50026494	-0.13660975	-0.9637718	0.22449926	0.28968546	0.105953775	-0.88148105	-0.33577916	0.4128836	0.001366432	0.2715394	-0.39755818	-0.5841171	0.01785042	-0.5842958	-0.62119967	-0.50047165	0.4613541	-0.1843495	-0.3745619	-0.23299088	-0.21161675	-0.5329393	0.6137989	0.09899941	-0.21994182	0.24039726	-0.3172881	0.12283031	0.6248016	-0.62936294	0.8965455	-0.73962224	0.46820357	0.6250063	-0.99144745	0.06600943	-0.4919827	0.48327085	-0.36811963	0.4724037	-0.21773179	0.034980047	-0.2504389	0.7328163	0.029875536	0.51869655	-0.1098451	-0.38534468	0.3424904	-0.13647136	-0.8352335	0.0338784	0.707462	0.010308488	0.44002205	0.25372097	0.30838293	0.41297448	-0.43486142	0.6819927	-0.12978871	0.11082793	-0.99987495	0.10842382	0.17843482	-0.52447116	0.43494385	-0.4733874	0.064150654	-0.28426537	-0.45115957	0.4141492	-0.61658615	0.20594443	-0.31395158	0.59079665	0.36945155	-0.9842561	-0.16037811	0.14045784	0.85702276	-0.62519795	0.10620005	-0.37750307	0.061139353	-0.53260225	0.21342376	0.004479761	0.080836065	-0.07967123	0.38500187	-0.36811975	-0.50182056	0.89190644	-0.35320023	0.2034574	0.24907863	0.50020653	-0.22699995	0.079074755	0.39978695	-0.68150777	0.10478802	0.3530755	-0.6988191	-0.33765307	0.72693413	-0.5882614	-0.3564616	-0.25967643	0.16738722	-0.63797283	0.5104429	-0.27389127	0.6005656	0.38785896	-0.15278831	0.6744924	-0.32353568	-0.48867387	0.617021	0.93040246	-0.18908261	0.6661009	0.9976754	-0.04320516	-0.047985908	0.07635279	-0.6934455	0.10617062	0.68280596	0.42321834	0.49757376	0.2971641	0.99261266	-0.69350404	0.46090603	-0.52113867	-0.14848885	0.5877433	-0.1059768	-0.86989135	0.029909162	0.05889415	0.8247108	-0.5557447	0.5734382	0.46077695	0.28433466	0.99999785	-0.8675831	-0.18898739	0.646394	0.79928225	0.3155769	-0.45602962	0.7473434	0.88803554	0.8740894	-0.977476	0.08303717	0.49059424	-0.14940946	0.60450745	0.41453382	0.17823842	-0.057598747	-0.80351585	0.5463995	0.83288634	-0.80454624	-0.95705104	0.58830625	-0.047944862	0.43225703	0.1843817	-0.6656276	0.33654082	-0.81375855	0.03836102	-0.6766474	0.64588875	0.49429345	0.2310693	-0.24881516	0.13255762	-0.789323	0.23350361	-0.23736094	0.62411416	0.13147455	-0.35990644	0.3580752	-0.07414565	-0.23961195	0.4034645	0.16842146	0.6361786	-0.7060733	0.3137948	0.280188	0.21912311	-0.9213345	-0.7946773	-0.5182122	0.6106021	-0.50230527	-0.735593	-0.14360642	0.057657756	0.99984705	0.6799955	-0.17012316	0.532343	-0.06947596	-0.25230387	0.5443266	-0.12038508	-0.22733508	0.51700795	0.48735455	0.39940906	0.22803645	-0.15268075	0.11138282	0.38696218	-0.78025436	0.1348478	-0.99608636	0.52615654	-0.08357165	0.2074879	0.52673393	0.16762365	-0.2879974	-0.6343891	-0.07231187	0.14843915	-0.34573776	0.14223668	-0.44861564	0.09762105	0.71814644	0.56306946	0.056527663	0.2410153	-0.50972164	0.53999895	-0.2964869	0.7556631	0.18458484	-0.013648666	0.5737135	0.9764621	0.14201584	-0.39652535	-0.19631235	0.32868344	0.34155503	0.022046711	0.62274295	-0.35504168	-0.18161495	0.37517616	-0.20579058	0.5438684	-0.21473613	0.22376238	0.020336237	0.9999545	-0.19209342	-0.98254836	0.29796058	0.9991112	-0.26775235	-0.3779677	-0.9990817	-0.5301317	-0.7427218	0.42207643	0.11040678	0.2095114	0.53176326	0.58766526	0.585561	-0.25904143	0.418816	-0.5487356	-0.40781507	0.55660844	-0.30618316	-0.99998057	0.99999976	-0.0804242	0.77178675	-0.1545515	-0.6597922	0.720704	-0.1785357	-0.84663194	-0.65653205	-0.63725173	0.4996487	-0.016252505	-0.21893217	0.11047448	0.29767254	-0.649698	-0.052354343	-0.70392066	0.68068963	-0.99974066	-0.2567598	0.24494067	-0.07362927	0.15042073	-0.47151944	0.4751292	0.88079786	0.5733641	-0.51634383	0.6068661	-0.18079026	-0.4143326	0.9664411	0.12990597	0.84827965	-0.5258378	-0.27563256	-0.41326204	0.07679326	-0.31306776	0.3292622	-0.2822083	0.35441476	-0.6229547	0.23455006	-0.3961156	0.15305297	0.19430386	-0.18278214	0.47221625	0.7033996	0.15589851	-0.28218898	-0.37067544	0.996947	0.6819851	0.003754531	-0.18839072	-0.06381461	0.10158298	0.999839	0.059831593	0.43182427	0.5435934	0.25933397	-0.23694137	0.35275742	-0.99557334	0.1600423	-0.17004369	0.22524405	-0.3628388	0.286636
284	1	OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl	-0.8011714	-0.6855552	-0.12116082	0.21661104	0.036424298	-0.7695857	-0.8761562	-0.18288459	0.60289824	-0.6608673	-0.70395964	0.36578456	-0.05988442	-0.39210373	0.4456043	-0.64958453	-0.61434656	0.45289287	-0.45991227	-0.07765392	0.52126896	-0.3054839	0.55187947	-0.12375581	0.03897211	0.75992054	0.17224249	0.73552513	0.92110854	-0.5104014	0.23980421	-0.11726319	-0.05814754	0.77208996	0.4923847	0.034039654	0.07906336	0.7491583	0.9966028	-0.91658306	-0.81283575	0.4166476	-0.092164375	-0.17474666	0.47715986	-0.8700208	0.22010045	0.09393662	0.97747314	-0.18446606	-0.13654223	0.25722227	-0.4061778	-0.5231098	-0.9521781	0.16475011	-0.7524485	-0.11102354	-0.048895057	0.03845818	0.3213877	-0.26221746	0.6720422	-0.18477912	0.33642253	0.8995308	-0.67345315	0.4331969	0.16295326	0.26563072	-0.20109162	0.3235663	0.5568986	0.22108692	0.9550479	-0.8460417	0.33976996	-0.16872281	-0.36737916	-0.99567986	-0.57836694	0.21244414	-0.7578758	-0.13149276	0.21195489	-0.9570012	-0.05295655	0.008224446	-0.7537631	0.023340616	0.10825123	0.18084991	0.48489845	0.3341899	0.7285873	0.079386376	0.79561466	0.10193706	-0.010242059	-0.66098416	0.35772356	-0.10355261	0.5476609	0.75081366	-0.9790954	0.553777	-0.42252553	0.6525721	-0.9290982	-0.560212	-0.1221978	0.12599047	-0.57258224	-0.4798554	-0.29763818	0.63206106	0.11404777	0.5434712	0.9971514	-0.414934	-0.36597133	-0.02556666	-0.1878615	0.063068956	-0.36095423	0.34616935	0.5699346	-0.5885816	-0.85383636	0.9999892	-0.3751635	-0.004657882	0.8207364	-0.031244956	0.583665	-0.6573967	0.5353259	0.78754157	-0.5603567	-0.4399377	-0.9999508	-0.22551468	0.99078184	0.005563881	0.68302053	0.3495773	0.20542505	0.09530025	-0.43897086	-0.4138872	-0.13779178	-0.48488703	0.23302248	-0.32494545	-0.55327	-0.050085023	-0.16376281	0.71764654	-0.921436	0.146828	-0.9019745	-0.3702978	0.046801887	-0.12728047	0.749973	0.32653823	0.07023131	0.5633273	-0.40037185	-0.6555899	-0.6534509	0.38961807	-0.32499185	0.22861959	0.22666933	-0.97969294	-0.75273854	0.25415704	0.21762252	0.3318806	0.046875793	0.8069489	0.17049715	0.3621852	-0.054149825	0.07127608	0.6630799	0.50137305	0.24747041	-0.6929028	-0.422652	0.07679433	-0.3091251	0.3460974	-0.5735052	-0.04251104	0.7053893	-0.4143017	0.6797443	0.7201489	-0.53081435	0.026170507	-0.86875814	0.42109877	0.100634605	0.003119209	0.6221229	-0.029116157	0.025429234	-0.99971795	-0.44095683	0.7576571	-0.11093828	0.17540306	-0.16866317	-0.1091329	-0.55758923	-0.1901816	-0.17858107	0.38935384	0.39327747	-0.3851441	-0.4548699	-0.5760474	0.9853238	-0.5898311	0.15722872	0.11864853	0.46477854	0.7119678	-0.2910589	-0.34399393	0.679911	-0.76182663	0.47971064	-0.2893752	-0.6183162	-0.12957945	-0.76992947	0.24669681	0.85949755	0.071712025	-0.17854528	-0.62179226	0.5825749	-0.23255491	0.22904916	-0.31146872	-0.19848602	-0.16328537	-0.300992	-0.9834282	-0.6309901	0.52201253	0.09836771	-0.5330931	0.32068685	0.29800412	0.6425382	0.09424129	-0.5453604	0.38035443	0.13218306	-0.4295998	0.21135439	0.02154241	-0.23818913	0.3404088	-0.2229097	0.42664874	-0.7162476	0.9623367	-0.121345	0.39171988	-0.17062055	0.95711094	0.10103622	-0.7052877	0.1713885	-0.7759703	0.7502778	0.9985173	0.06724582	0.48576882	-0.017713312	0.23343527	-0.76632595	0.8208205	-0.10021374	-0.716874	0.12145495	0.9738376	-0.24327071	0.5981354	0.27638575	-0.7288928	0.9999763	-0.9990839	0.6580516	0.001802614	-0.054592837	-0.62832105	-0.48696506	0.46236748	-0.246054	-0.90327454	-0.41514194	0.58061063	0.5460342	0.37516543	0.53432095	-0.568956	0.06960234	-0.19009185	0.9227038	-0.6434002	-0.41688824	0.046766575	-0.8492126	0.28818613	-0.7698203	0.12727188	0.55383456	-0.6188176	-0.7309773	-0.65774655	0.71468204	-0.9767401	0.13323995	0.28852782	-0.43803066	-0.5171684	0.27590278	-0.56798804	-0.011278226	0.9723161	-0.32619312	0.40844965	-0.54092586	0.60621434	-0.6427104	-0.87878126	0.07249086	-0.26125693	-0.16480955	0.15383285	-0.44052297	0.17046684	-0.703789	-0.4336086	-0.9737799	-0.24107297	-0.4845077	-0.16759959	0.24295303	0.028168874	-0.3575627	0.9997079	-0.1310142	-0.067010514	-0.68321574	-0.60285896	0.01578303	0.535626	-0.9501358	-0.35368505	0.5664594	0.26705495	-0.22908577	-0.10616285	-0.40938342	0.6902209	0.73318654	0.5135552	0.5167844	0.9894653	0.30463126	-0.22640172	-0.3454113	0.44108805	-0.6674443	0.6279982	-0.65421975	-0.58948404	-0.6549763	0.3221077	0.29162362	0.22622027	0.25410724	0.5141975	0.21562602	0.41501606	-0.22274834	0.49600282	0.21009873	-0.50749165	-0.5238322	-0.7499739	0.87309796	-0.9252813	-0.88511014	0.37802088	-0.4561645	0.5170972	-0.15245414	-0.69338185	-0.74272263	-0.41504928	-0.5426236	0.45584962	0.6778912	0.661919	0.36766347	0.8085206	0.334137	0.48164728	0.99953175	-0.3146997	-0.99084425	0.7374467	0.9982936	-0.8822835	-0.84565485	-0.99511695	0.16770154	0.45284557	0.6055059	-0.32126537	-0.46843255	0.49195918	-0.27602398	-0.8703857	-0.47909388	0.27804357	-0.38428047	-0.52736187	-0.10299825	-0.015196458	-0.9999967	0.9937018	-0.8662561	-0.026246417	-0.47890428	-0.27498415	0.4801673	-0.9250804	-0.8325203	0.41120654	-0.14499521	0.16389677	-0.9093561	0.14205438	0.33523613	-0.42139676	-0.008426399	-0.015197421	-0.4075102	0.26523226	-0.9999462	0.057599045	-0.22126722	-0.52354234	0.14562176	0.20328651	-0.9975511	-0.5086423	-0.54203564	-0.0347999	-0.14985587	-0.20348826	-0.46848258	0.9554561	-0.52452195	0.33682656	-0.13986471	0.42100278	0.47294936	-0.7858089	-0.6131805	0.13508914	-0.45482424	-0.9003059	-0.9336669	-0.19889337	-0.08016037	0.18113342	0.24365087	-0.36674348	-0.27305135	0.76251584	-0.75060034	-0.24098858	0.48829126	0.953732	-0.08951078	-0.1306487	0.07969863	0.45787737	0.35167405	0.99730396	0.91112053	-0.38819185	0.090156995	0.3065372	0.132669	0.43716803	-0.97619516	-0.40452242	0.82096195	0.6755873	0.5463873	0.50019497
285	0	COP(=O)(OC)OC(C)=CC(=O)N(C)C	0.7822996	-0.25530222	-0.94701666	-0.36226076	0.23838532	-0.38196185	-0.8463371	-0.1633188	-0.64455897	0.7019061	0.54895467	-0.41952923	-0.14893976	-0.047254875	-0.092241205	-0.11916119	-0.4850526	-0.054584265	-0.9695237	0.5094857	0.34804183	-0.38548076	0.06460054	-0.048813798	-0.50131565	0.4775858	0.040709555	0.51949394	-0.20633395	-0.044122323	0.26971754	-0.16417658	-0.06337505	-0.35562402	0.3434394	-0.077436455	-0.086195566	0.2768847	0.97156924	0.3754177	-0.9641776	-0.004609717	-0.69616735	0.6603702	0.26502243	-0.96604127	0.007120878	0.34308636	0.99307674	0.43747732	0.27033582	-0.34495625	-0.3001943	0.3367156	-0.535323	0.04502146	-0.2843737	0.5629443	-0.46884584	0.62826127	0.4343928	0.45003182	-0.75518024	-0.024866465	-0.8770572	0.1453289	0.60471	-0.256436	-0.2655979	-0.1450189	0.08390424	-0.9991944	-0.12679067	0.80779773	-0.42544162	-0.46622524	-0.6099102	-0.25048557	-0.3115126	-0.9999811	0.6345518	-0.13167128	-0.3474232	-0.7370946	0.62733144	0.79269654	-0.24682724	-0.6248905	0.027910754	-0.100911796	0.74143875	0.43029812	-0.40185732	-0.600794	0.9994026	0.10888281	-0.56071776	0.422093	-0.5869077	0.27333093	0.15392022	0.13713728	0.21831624	-0.3170002	-0.4687224	-0.8903352	0.47346798	0.73564816	0.987107	-0.21528664	0.050447352	-0.34646323	-0.40199962	-0.38638258	0.4276408	-0.07392793	0.00933859	0.27275544	0.9991206	-0.09558153	-0.20975035	0.32914287	0.622664	0.39889416	-0.4184667	-0.16914883	0.4009041	0.7645846	-0.056527574	0.97349113	0.042978324	-0.39805672	-0.2454187	-0.51430774	-0.49391204	-0.9925084	-0.09015378	-0.57576656	-0.55103683	-0.44201577	0.99722415	0.15219598	0.78025186	-0.08651546	-0.14018361	-0.017314037	0.21272708	0.10063747	0.4729254	0.25727805	0.85752565	-0.7815786	-0.29542124	-0.48693684	-0.4347554	0.11326836	0.5416339	0.98453367	-0.7598401	-0.9834913	-0.9713673	-0.46503666	-0.5157416	0.7003454	-0.46417287	-0.22723126	-0.31458637	0.37663352	-0.5424891	-0.20293608	0.03277076	-0.24432755	0.5498938	-0.3517432	-0.112169266	-0.7238531	-0.5203669	0.57802993	-0.38279983	-0.24828333	-0.017821768	-0.99596983	-0.0599454	-0.42966184	-0.07205662	-0.38689744	0.2089039	0.040052768	0.44342265	-0.38146532	0.0854655	-0.44939458	-0.73061424	-0.6962641	0.30754635	-0.13363563	-0.16190773	-0.8954351	-0.40397534	-0.56965005	-0.11243993	-0.23000033	0.11062791	-0.4230536	-0.3104632	0.45320773	0.37050492	0.092674345	0.033762954	-0.99955046	0.034332138	0.1540922	0.10579923	0.25436383	0.28135175	0.5004057	-0.18678018	0.40229848	-0.2385299	0.41339055	-0.2794516	0.05758199	0.23730315	0.057068944	-0.9928249	0.2207838	0.1231075	-0.17519552	-0.29421085	0.14722884	-0.4191895	0.11909202	-0.34075898	0.020845888	-0.70855266	-0.10377184	-0.0751305	0.14848432	-0.4330646	-0.13617899	0.6967644	0.059122007	-0.14779514	-0.4426402	-0.7592704	-0.012866218	-0.36306038	0.22763132	0.047427114	0.03049768	0.64420426	-0.9998897	0.39447692	-0.22728711	-0.3231369	-0.24579504	-0.4239146	-0.24287793	-0.13061605	-0.2735249	-0.38439888	0.12983494	0.6252992	0.51360816	0.20411101	0.36631975	-0.54951763	0.7858489	0.950015	0.2700405	0.6018328	0.99720705	0.6424585	0.7313855	0.6930451	-0.9552783	0.76369506	0.082141906	0.44383544	0.24091516	0.117035784	0.9992548	-0.8752862	-0.6076386	-0.4273114	-0.15245306	-0.2027303	0.5529689	0.7183451	-0.8410981	0.027234627	0.99844337	0.5876453	0.699666	-0.12184783	-0.24688184	-0.9963434	-0.49837133	0.8251407	-0.025384126	-0.2919224	0.3552584	-0.49915794	-0.15686284	-0.43480515	0.45708218	0.8834313	-0.26958278	0.013070905	-0.31178048	-0.007111198	0.53408587	-0.59674525	-0.6316774	-0.7481118	0.11333399	0.003934862	0.14676072	-0.9999446	0.6718168	0.36943793	-0.55772316	0.012462411	0.22536492	0.7987407	0.2310219	-0.67754674	-0.16958046	-0.39327416	0.16125838	0.33210456	-0.039295793	0.60422254	0.55745065	0.027405776	-0.8837709	0.15147752	-0.39047974	-0.63406473	-0.09194911	0.16244942	0.3105564	-0.3839614	0.5292367	-0.14220881	-0.35714087	0.07018534	-0.06876609	0.18870157	0.5681759	-0.9794612	0.34704167	0.5857663	-0.40841395	-0.3386562	-0.33615065	-0.43094233	0.9998674	0.40130526	0.1314634	-0.08655927	0.20727983	-0.64743406	0.49433917	0.02538019	-0.5622488	0.08739638	0.6454135	-0.25995502	0.059851155	0.53225756	0.1426312	0.38413322	0.39463672	-0.47269297	1	-0.7663086	0.31728542	0.17662397	-0.016249873	-0.793049	0.009040431	0.27908245	0.3931066	0.2607835	-0.47376058	0.16313137	-0.5069408	0.0000567	0.33340997	-0.34006447	0.1268098	-0.13521285	0.39732766	0.4329672	-0.98308146	0.35308477	0.41140926	0.09192408	0.4651309	0.6917098	-0.401425	0.56543285	-0.16923904	-0.609481	0.36431867	-0.52169853	0.08572381	-0.3014384	-0.5054114	-0.64325964	-0.108489424	0.5743455	-0.28556073	-0.03730689	0.7600735	0.9999999	-0.48415777	-0.81019264	-0.3367594	0.9997346	0.63730437	-0.06172671	-0.9999494	-0.26090035	-0.53420293	0.11021626	-0.36794052	-0.4122697	-0.64583963	-0.46021995	0.916034	-0.63388944	-0.47901076	-0.53968567	-0.5887571	0.3855828	0.60776013	-0.99997646	-0.9999998	-0.98617077	-0.57918733	-0.008430883	-0.4917804	-0.31122366	0.5188143	-0.52686757	0.47929034	0.39316627	0.14802356	-0.36115032	-0.06790185	-0.06622024	0.17403921	0.3743973	0.052502934	-0.17818536	-0.93248093	-0.99990237	0.39547598	0.25025734	0.03602658	-0.07071269	0.19710056	0.22248124	0.38234276	0.51510864	0.7409578	0.58500177	-0.5437578	0.2647267	-0.85832465	0.3279411	0.56519634	-0.6338282	-0.12576434	-0.07731782	0.6033632	0.35929602	0.25436366	-0.023491625	0.9195325	-0.9726202	-0.054903157	-0.16201286	0.452824	-0.06800578	-0.26599982	0.07040537	0.7219446	-0.03209784	0.5907488	0.6823891	0.6309494	-0.43787327	0.5129486	0.07279337	0.15602255	-0.5592145	0.999924	0.6085695	-0.44835663	-0.16248246	0.5836312	-0.53170013	-0.00404926	-0.95864975	0.68905884	-0.25126374	-0.45211065	0.2456391	0.237157
286	1	CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1	-0.04778939	0.09715902	-0.5087981	-0.0000475	0.76107	-0.74178815	-0.7297519	0.639821	0.47847903	0.061609045	-0.28260562	0.48178115	-0.11471357	-0.30389664	-0.38747588	-0.33350843	-0.041292973	-0.06576651	0.120684855	0.05042085	0.38400948	-0.48697624	0.19402191	-0.37041074	0.7665743	0.6225229	-0.3079373	0.13693199	0.8245781	0.38831258	-0.14673299	0.07908418	-0.4617104	0.3688247	-0.37709296	0.41206956	0.33971047	0.6678603	0.9948331	-0.8584014	-0.95304894	-0.2339976	-0.17514513	0.31768435	-0.41697845	-0.86917365	-0.41971263	-0.03645808	0.9979197	-0.18294902	0.46007064	-0.103218436	-0.17819867	0.6213004	-0.8900389	0.60507715	-0.6416818	0.40200394	0.19160257	-0.48102155	0.24611099	-0.54716694	0.73251534	0.24217136	-0.60989213	0.17527036	0.16241208	0.30958202	-0.3394912	-0.14894083	0.8388771	-0.26231033	-0.36200103	0.43096453	0.87368613	-0.5323082	-0.3164218	0.16263723	-0.8381187	-0.99690646	0.11789299	0.19068898	-0.5869625	-0.28171203	0.3984922	-0.92956126	-0.51380575	-0.25959885	0.62714636	0.6332437	0.24795455	0.585095	-0.03732387	-0.12575662	0.90219367	-0.21988866	0.7178314	0.6018538	0.22344519	-0.5530687	-0.17926537	-0.24079552	0.4808644	0.9302473	-0.93929464	-0.082760595	0.030379796	0.18064122	0.9883785	-0.57887167	0.61577314	0.24637273	-0.17912465	-0.02254998	-0.40474555	0.10429853	0.24027522	0.49402103	0.99562764	-0.006299259	0.71417505	-0.59195787	0.09093861	-0.016982082	-0.15477292	0.27742252	-0.26706293	-0.4768584	-0.24028488	0.99993145	-0.2776776	0.21637863	0.38338155	-0.011250909	0.70923406	-0.96646184	0.34276262	0.4407787	-0.52102125	-0.17147005	-0.9998926	0.40029302	0.9853297	0.005686921	-0.019177796	0.70072097	0.2435293	-0.57198256	-0.4362227	0.5803924	0.58945596	-0.74253005	0.35817495	-0.21667139	0.18662266	0.31984028	0.44090787	0.8593306	-0.5785767	-0.9231665	-0.9038247	0.061112978	-0.29621986	0.38246912	0.21049716	0.170006	0.55034935	0.48536333	-0.12335587	0.3144191	-0.23355342	-0.72551954	0.1241695	0.5895073	-0.3197767	-0.9434227	-0.539652	0.77236485	-0.38216838	-0.31400764	0.71035546	0.5546171	0.27304223	-0.1747562	0.2193573	0.12989634	0.57915	-0.68822914	-0.16275826	-0.53496605	-0.63756377	-0.001548844	0.50992215	0.41612136	0.19700037	-0.49611604	-0.4708418	-0.5421704	0.5200292	-0.38410467	-0.25659797	-0.6098509	-0.24315563	-0.001284859	-0.03168457	-0.58476377	0.47346583	-0.56874126	0.34364283	-0.9998052	-0.29175004	-0.3660516	0.14017111	0.03742928	0.24506257	0.009368461	0.10050747	-0.23346224	0.1875176	0.23453936	0.23066872	0.3310327	0.29133323	-0.38235384	-0.97811186	-0.24796754	0.19517049	-0.35461056	0.71115214	0.3892784	-0.15863119	0.32779962	0.4574308	-0.54919326	0.67873824	-0.22885725	0.12860554	0.7918095	-0.08595767	0.10956077	0.8026835	-0.14300753	-0.47618502	-0.50915843	0.14564766	-0.18091133	-0.009583381	-0.16502811	-0.13938195	0.28523526	0.024784354	-0.9739775	-0.21931846	0.4854284	0.71122617	0.15429448	-0.5802211	0.66973877	0.23445944	-0.33719975	-0.115409665	0.4855069	0.12010548	-0.4179398	-0.17305052	0.1952119	0.016587097	0.07125816	0.5862155	0.2193402	-0.51022243	0.97812414	0.34486112	-0.16286118	-0.3090239	-0.07319954	-0.67964596	-0.44002625	-0.15958428	-0.5167244	-0.10208277	0.99894536	0.19694303	0.028168136	-0.54548085	-0.057667717	0.09062183	0.8990337	0.90440375	-0.79389614	-0.27616188	0.9890268	0.000984713	-0.32956666	-0.22253418	-0.76571524	0.9999415	-0.99693817	0.5674597	0.203365	-0.67355627	-0.30365857	0.18392372	-0.8103823	-0.030300759	-0.7745743	-0.16393894	-0.7474524	0.869362	0.17588861	-0.036680803	-0.1211889	0.1877774	0.008356103	0.9283644	-0.60803056	-0.29143232	-0.2731424	-0.9998908	0.39226294	-0.5580273	0.31525207	0.6914635	-0.52605295	-0.25854963	-0.21557511	0.22605729	-0.89314646	0.20610426	0.30557242	0.20207152	0.6163205	0.49452785	0.63081527	0.63471246	0.92057824	-0.5830029	0.7309521	-0.5162695	-0.15268151	-0.5410675	0.12123046	0.6521974	0.5495947	-0.5339281	0.26871026	-0.18366332	0.17868277	-0.18515837	-0.21236356	-0.9807703	0.6256277	0.20853998	0.6344952	0.4232024	-0.34035248	0.25236246	0.9998163	0.18943219	-0.45438218	-0.23000368	0.27793685	-0.27668196	-0.31052667	-0.94854623	0.73656696	-0.07099859	-0.004356282	-0.08888245	0.3456467	0.04709328	0.4622188	0.21220693	0.5782583	0.45735458	0.99689996	-0.008251268	-0.0669387	-0.33663678	-0.51511866	-0.6769836	-0.57366437	0.48618856	-0.3760917	0.27932113	0.18066916	0.5149885	0.69588166	-0.083605595	0.3002771	-0.21394195	-0.38146344	-0.036195487	0.40534866	0.54614866	-0.7312214	-0.67721957	-0.3172718	-0.46156797	-0.58231	-0.87217194	0.6278525	0.5724481	-0.14238633	-0.24088478	-0.5647832	-0.6777912	-0.45059872	-0.119151264	0.05116593	-0.2703591	0.62870723	-0.12295629	0.28684905	-0.23366235	-0.22291167	0.99999976	-0.1091	-0.99268585	-0.07775096	0.9994514	-0.7442811	-0.39415157	-0.9999374	0.52763975	-0.65547734	0.021140516	0.06279375	-0.22359562	0.24085107	-0.51319236	-0.55239415	-0.8798918	-0.07882237	-0.5123329	-0.46661043	-0.41546732	-0.22550502	-0.99997103	0.98417836	-0.82515436	-0.33162144	-0.27519318	-0.1751479	-0.26549748	-0.4153952	0.3950021	0.23349714	0.20472091	0.2633844	-0.66060483	-0.57806927	0.40268013	0.22777084	-0.43901926	0.37623498	-0.5478841	-0.15136601	-0.99987745	0.19826393	-0.46820405	-0.43615246	-0.067040145	-0.38428083	-0.9949438	0.05260976	-0.033659637	0.06613479	0.23571274	-0.61991787	0.5468307	0.9373764	-0.32049903	0.15214308	-0.3100612	0.19931783	-0.36977157	-0.615409	-0.22226733	-0.006556028	-0.39096454	-0.64488584	-0.99373186	-0.39950377	-0.18984321	-0.51088256	-0.2329621	-0.59355307	-0.19541718	0.6424921	0.36905912	0.08340417	-0.6642003	0.9599214	0.41024667	0.37779817	0.35271743	-0.3177638	0.27056706	0.9995829	0.69020015	-0.31757367	0.11683354	-0.19433492	-0.12983885	-0.38545978	-0.9673594	-0.050468687	0.4243164	0.23359267	0.36256272	-0.24046232
287	0	CCOC(=O)CCC(=O)OCC	0.98149806	0.31537613	-0.53905207	0.25988013	0.34085098	0.46639174	-0.20418127	-0.03594222	-0.5504086	0.5229895	-0.1565838	0.17805487	-0.6879733	-0.18969983	0.15314957	0.3215749	0.39006466	-0.035655133	0.19165796	-0.05799851	0.584128	-0.8260402	-0.03634354	-0.27146533	-0.64958197	-0.67047	0.13872282	0.04106336	-0.6272662	0.2502175	0.39442265	-0.024426732	0.3700051	-0.36357236	0.2978647	-0.8451358	0.0508837	0.505725	-0.25711197	-0.43488464	-0.9970689	0.05206023	0.058141474	0.26870304	0.23207055	-0.9941931	0.35949755	0.19133742	0.9971582	0.15553151	0.23070423	-0.04358077	0.1615586	0.69819117	-0.7483824	-0.64392006	0.73729163	0.966675	0.4883011	-0.075759895	-0.29305956	-0.31439453	-0.32070354	0.17787017	0.3199615	0.39357898	0.33216506	-0.5008059	0.022075942	0.036654882	0.68339086	-0.9996547	0.13250142	0.8439901	-0.31888744	0.83491033	-0.22495073	0.29290703	-0.0444003	-0.9999908	0.4143309	-0.30159336	-0.44473118	-0.6717596	0.6629729	0.91615635	0.48355523	0.04473211	-0.1430464	0.056422114	0.14524658	-0.2786029	0.12959655	-0.36533856	0.9934183	-0.1714391	-0.42815095	-0.25220856	0.7728891	0.19648461	0.06396031	-0.1819892	-0.51892495	-0.33319467	0.9318324	-0.9008007	0.28511965	-0.44900954	0.9923698	0.73499936	-0.006331664	-0.01436999	-0.3805357	0.14409946	0.13492927	0.4798593	0.09112258	0.017949866	0.99883854	0.60491806	0.307358	-0.022926517	-0.20713837	-0.06083457	-0.4566399	0.1291163	-0.48225284	-0.12192018	0.27097595	0.97512525	0.26437733	0.3470277	0.1028561	-0.6097173	-0.57449025	-0.9466957	-0.063721135	-0.37875226	-0.5473705	-0.22266227	0.99978995	-0.18955614	0.84912944	-0.12457175	-0.3060838	-0.42838198	-0.06988621	-0.10351926	0.99154866	0.79518867	0.009663884	-0.7776837	-0.10816592	0.15278925	-0.31374744	-0.34758118	-0.04735651	0.9984551	-0.63455987	-0.95721066	-0.99136096	-0.42171088	0.15457097	0.18960293	-0.4593191	0.12529652	-0.60387915	0.24482307	-0.018372402	-0.02628999	0.1564315	0.35412553	0.42022172	-0.30114114	0.28386387	-0.9571209	-0.530717	0.11318708	-0.66308165	0.114472404	0.1848224	-0.9948821	0.7677983	0.08412421	-0.89631623	0.24366708	0.17452191	0.5363738	0.112707436	0.13449088	-0.32263422	0.35606626	0.5862222	0.30877376	0.002366408	0.41299152	-0.20595667	-0.9494984	0.038936898	-0.062609114	-0.5235063	-0.48724025	0.1295748	-0.2783915	-0.15623541	-0.20432627	0.016488295	-0.09887883	-0.19498928	-0.9632354	-0.40732768	0.37039408	-0.6254072	-0.48080337	-0.40774095	-0.08996523	-0.65392673	0.10885111	0.5293669	0.090640515	-0.31951758	0.010829516	0.5146722	0.068698816	-0.946238	0.30245668	-0.14199859	-0.014675416	-0.002166262	0.1298284	-0.3915809	0.28955665	0.08250047	0.5452366	-0.33823362	-0.006918264	-0.32738948	0.039263714	-0.12474169	0.21597518	0.88040364	-0.22837518	0.30681401	0.00549045	-0.5548779	-0.18373251	-0.21892975	0.29844058	-0.39243722	0.18579501	0.23114793	-0.9998593	0.09412211	0.25740063	-0.71562093	0.14538224	-0.29755962	0.38972205	-0.24247064	-0.19813369	-0.005053216	-0.1848276	0.5955309	-0.33485758	-0.35588866	0.69283384	0.104784876	0.6536343	0.7986415	0.004052795	-0.15532044	-0.49242195	-0.40337673	-0.27689904	0.2340022	-0.82517374	0.5155317	0.27955064	-0.004273342	0.77880156	-0.5947493	0.99895024	-0.16615257	-0.17887576	0.034348425	0.001717294	-0.39596686	-0.2205653	0.89826906	-0.21189012	0.32808658	0.9992929	-0.5411919	0.6721187	0.49478728	0.39316902	-0.99867296	0.07939165	0.48330486	-0.28129056	-0.29466978	0.46109897	-0.07983102	0.32537696	-0.2600069	-0.1841077	0.99494797	-0.37268797	0.21326393	0.19258027	0.27462772	0.35197443	-0.49498138	-0.5927105	-0.6979117	0.5246745	-0.4840839	-0.29132292	-0.9999775	-0.22369237	-0.4279613	-0.48615462	-0.36575678	-0.7177528	0.37119463	-0.21073607	0.047688324	-0.7993562	0.015882792	-0.018322589	0.434308	0.4257386	0.30898705	-0.36894637	0.18464479	-0.9391424	-0.19384061	0.2696852	-0.052273814	-0.16663592	0.77328926	0.2595983	0.03803848	0.7798706	0.53710747	-0.2002414	-0.18395191	-0.002163611	0.32981893	0.91669035	-0.9923663	-0.06935029	0.084692605	0.02841517	-0.2027794	-0.13515916	0.13583905	0.99689496	-0.24033678	-0.20445399	-0.06247354	0.38454667	0.14191468	0.32890424	0.2592142	0.11486932	-0.35584223	-0.22545747	-0.14728053	-0.070637904	-0.10895146	-0.26935473	-0.55254126	0.8939099	0.3235327	1	0.38613704	0.5247002	0.051283278	-0.7984466	-0.81804734	-0.2949054	0.5614331	0.09871345	0.60829127	-0.64426243	0.78247887	-0.12002462	-0.61699927	0.14194945	-0.08712122	0.103128865	-0.41447818	-0.20430204	-0.17226298	-0.7435803	0.48879978	0.3220717	-0.1194366	0.8531476	0.28127092	-0.2591436	-0.22157817	-0.09600973	0.01465113	0.045611236	-0.30438402	0.35374963	-0.22711468	-0.15209053	-0.7855378	-0.015216617	-0.10503603	-0.073647074	0.44509107	-0.10887295	0.9999999	-0.26460788	-0.744918	-0.5558724	0.9971811	0.05905719	-0.26541227	-0.99994177	-0.20029283	-0.5859678	-0.5824169	-0.068921655	0.16383494	0.42801073	0.09177886	0.9410005	0.60024905	0.3502949	0.10898219	-0.13313723	0.4166182	0.16432425	-0.99970466	-1	-0.9929285	0.20181811	0.36707297	-0.4818624	0.18562588	0.67200446	-0.42466903	-0.008140605	-0.18757492	-0.01822847	-0.10150047	0.34031054	0.4755123	-0.4588109	0.41574466	0.004089317	-0.29936233	-0.99026316	-0.9997199	-0.3898805	0.4334905	0.5774671	0.5420292	-0.14824034	-0.2796261	0.19517475	0.57024515	0.23551914	0.021958558	0.42030662	0.13599521	-0.8437295	0.1493127	0.71588314	0.078524254	-0.15800425	0.04952272	0.385343	0.2538871	0.10431272	-0.39405534	0.89604616	-0.22496147	0.16631997	-0.16300474	0.5172214	-0.06450629	0.33948445	0.25837004	0.104556516	-0.23368685	-0.20127425	0.27808064	-0.7913061	0.33015028	-0.6364083	0.13206969	-0.34245265	0.55756193	0.9998478	0.14314733	-0.5790614	-0.4384349	-0.42574373	-0.18755591	-0.49215725	-0.050361596	-0.31602433	-0.51316273	-0.67247295	0.78631526	-0.64453346
288	0	COCCOCCO	-0.39414775	0.22108553	-0.33385578	0.4250274	0.10319725	0.17479274	-0.029937327	0.12518056	-0.79962444	-0.0252144	0.081484884	-0.12318552	-0.20563407	-0.2582265	0.41406986	0.5954645	0.28427672	0.54592896	0.30082974	-0.19485673	0.101391286	-0.85310274	0.097989455	0.17304745	0.35994676	-0.05671448	-0.2823455	-0.28745073	-0.22826263	0.21101144	-0.22368652	0.36591992	0.5012258	-0.2269341	-0.22504902	-0.5330377	-0.28634903	0.6769103	-0.9586944	-0.864445	-0.97853965	-0.59950924	0.53991884	-0.51847064	-0.41638154	-0.98605037	0.27887762	0.39851728	0.87876946	0.64437765	0.5476923	-0.4915255	-0.30947512	0.098510265	-0.6651327	0.14200047	0.9018098	0.9694759	-0.045884356	-0.257092	-0.15041435	-0.22784054	0.28312352	-0.13444367	-0.32917377	-0.12108777	-0.201856	-0.68263686	0.0636642	-0.5038741	0.22432697	-0.99982387	-0.015410663	0.8478602	-0.3690825	0.6416211	-0.4098893	0.33064848	0.4783262	-0.998995	-0.22223607	0.01926848	-0.40903324	-0.46633637	0.39263618	0.97848296	0.40487352	0.38657323	0.08384092	-0.36419347	0.010077153	-0.38234466	-0.35363418	-0.27148613	0.95058215	-0.14423415	-0.5807722	-0.2806921	0.33086097	-0.43462044	-0.028401885	-0.124192126	-0.33042216	-0.7702323	0.9922564	-0.43119976	0.6056496	0.11077167	-0.7728014	0.5261203	0.5113365	-0.16473638	0.48191103	0.11283162	-0.032893527	0.19473173	0.3967308	0.4161599	0.9915885	0.50176	0.33379537	-0.22817484	0.37328997	0.25410452	-0.10502492	0.48961756	-0.37295654	-0.253467	-0.06069926	0.9367962	0.21858175	-0.55311865	0.25684917	0.14815637	-0.12415045	0.15025777	-0.43926135	-0.4163978	0.43707746	0.083507665	0.9994824	-0.37503114	0.9306145	0.25710833	-0.08604124	0.56822443	0.49445978	-0.3991809	0.9954859	0.46613264	0.51610833	-0.25760964	-0.3370546	-0.349084	-0.11610381	-0.43132535	0.014243377	0.99761033	0.423338	-0.66689974	-0.9784881	0.09049731	0.11837845	0.47659183	0.25489086	0.53801405	-0.3841533	0.8638901	-0.47445667	0.31535518	-0.30952716	0.18665408	0.13571306	-0.33888453	-0.23144749	-0.9238942	-0.30691457	-0.3179176	-0.6107674	-0.4688528	0.06973661	-0.4834959	0.02152555	0.23246855	-0.8852534	0.20295084	0.4273541	0.47741544	0.036676653	0.75416946	0.19949578	0.2308749	-0.6331106	-0.4912878	0.15032434	-0.31238243	-0.08820829	-0.7803122	-0.14487348	-0.009433468	-0.6946007	-0.49351403	-0.30753028	0.19026266	0.408047	0.20005566	0.10471291	-0.124286555	-0.4959167	0.8375981	-0.34314102	0.042324957	0.35201833	-0.3016855	0.04621342	0.44931614	-0.6346736	-0.04045161	0.2722182	0.2060276	-0.48202422	0.14021413	0.6082932	0.46692523	0.9954163	-0.44218704	0.30146024	-0.5179893	-0.27616927	0.111317456	0.5364361	-0.4769507	0.47334474	-0.1001864	0.6489094	-0.62298435	-0.45303315	-0.3900134	-0.11649267	0.12494815	0.84493554	-0.29610434	-0.62642765	-0.05011404	0.10685926	-0.3710185	0.13909097	0.2991022	-0.289054	0.51861584	0.26808017	-0.9986754	0.25103176	-0.08404077	0.2217307	0.35828406	-0.03293682	-0.20826893	-0.17579256	-0.115613446	-0.06753064	0.22007447	0.5186183	0.43232524	-0.42758176	-0.22151645	-0.40997007	0.47165528	-0.62521785	-0.07100346	0.116903074	-0.92973477	0.20366754	0.22030279	-0.21857941	-0.07094272	0.056647077	0.10607745	-0.3453221	0.8085453	-0.49372393	0.9945532	-0.3196205	0.64984655	-0.5897361	0.7874223	-0.24913973	-0.7767853	0.24424262	-0.1657675	0.3047708	0.99678266	-0.14810207	0.765259	0.110205434	0.34978485	-0.9981569	0.41836977	0.3465005	-0.33819228	-0.50973547	0.23026781	0.76670533	0.27379623	-0.4696925	0.4243061	0.9987929	-0.22850952	-0.13446583	0.29631412	0.11445493	0.43907368	0.64382523	0.07712235	0.68025935	0.54152334	-0.14511187	-0.5193111	-0.95534354	-0.072877556	-0.58071023	0.15838069	-0.051287927	-0.6253088	0.20013322	-0.15790042	-0.24546407	-0.12514716	0.38609433	0.22292997	-0.22598523	0.3175931	0.0832515	0.3005949	0.18795204	-0.9151343	-0.3015781	-0.30106676	-0.58537626	-0.66151905	0.32644024	-0.19303721	-0.07223729	0.8779323	0.46573767	-0.2988546	0.1309903	0.30423063	0.71663713	0.9777803	-0.9755289	0.45369843	-0.26510537	0.2688544	0.1227249	0.27370948	0.090425715	0.53860897	0.095458545	0.26973948	-0.45528	0.03346617	0.35831004	-0.16895482	0.55542874	-0.14071195	-0.10137213	-0.836609	0.43168575	-0.23018351	0.40700677	0.07042594	-0.55427307	0.8661964	-0.19703116	1	0.16129905	-0.15154251	0.036840823	-0.5882552	-0.8111206	-0.014196602	0.67400736	0.4100381	0.4111367	-0.7008938	-0.26393434	-0.43158993	-0.59332216	-0.3764129	0.16471042	0.14790532	-0.010954795	-0.46732095	-0.4855513	-0.46097854	0.7298885	0.8918719	0.3525254	0.8020169	-0.6292826	0.13928041	-0.42279378	-0.39656553	-0.16172978	-0.08679621	0.2984261	0.06538397	0.4389195	-0.13246183	-0.51467335	0.4878973	-0.17444214	-0.41355172	0.3265958	-0.82189375	0.9996651	-0.35470545	-0.7400508	-0.3664811	0.8993978	0.35323665	0.4777858	-0.99599075	0.3720457	-0.19760752	-0.7252056	0.052193727	-0.5789418	0.042079493	0.16285597	0.9737861	-0.4296634	-0.16995524	-0.29814637	-0.23203202	-0.057928827	-0.12038934	-0.99802756	-1.0000001	-0.9892959	-0.70686173	-0.11664804	0.40332088	0.163711	0.1616169	0.42213938	0.37674192	0.7526513	0.31492785	-0.22286513	-0.1767593	0.40961087	0.41488582	0.16080412	-0.12616695	-0.6790639	-0.99209756	-0.99859375	-0.008339635	-0.22760093	-0.20066404	0.011774629	0.35656258	-0.74604553	-0.27789792	-0.5075145	0.089104086	-0.10662737	-0.37406772	0.082806595	-0.902548	0.5067025	0.8955558	0.45841566	0.81390494	-0.045650043	-0.43730512	-0.36446327	0.2591484	-0.024988063	0.93503714	-0.32182515	0.6570671	-0.5806114	0.48303002	-0.058923367	-0.4070347	0.5763616	-0.36666822	-0.1214867	0.45821348	0.13809729	-0.99080247	0.48155	-0.5841692	0.3491525	0.2768881	0.057585407	0.9985569	-0.5265574	-0.43319383	-0.38225064	0.17006478	-0.22059911	0.2649668	0.9481299	-0.042126555	-0.4237339	-0.61602634	0.66810983	0.023095433
289	1	CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1	-0.66072017	0.35678682	-0.024463093	-0.35491836	0.8312213	-0.19661537	-0.43777636	-0.14961703	-0.091949865	-0.36762807	-0.8583532	-0.19036229	-0.26566717	-0.8523406	0.3291642	0.46237987	-0.516105	-0.12788986	0.32550806	0.084628515	0.30672145	-0.4903363	0.38066873	-0.30431855	-0.13016312	0.024242828	0.28171158	-0.051147304	0.832621	-0.24206361	-0.051835567	-0.27862996	-0.3759813	0.040662825	-0.5888897	-0.6922467	0.43959936	0.72317195	0.9961232	-0.7396222	-0.57654196	-0.3350459	-0.11960033	-0.21680467	0.28276134	-0.82218945	-0.05547651	-0.48231828	0.99212366	0.5268986	0.037116963	0.18789299	0.14642604	0.34259266	-0.86959547	0.21968587	-0.48386776	0.34333667	-0.06137436	0.17511855	-0.2749334	-0.42980653	0.2546925	-0.60663074	-0.77084583	0.14673978	-0.71442205	0.59112436	-0.03051737	-0.20039068	0.7146568	-0.09855911	0.2083466	-0.2349195	0.83592075	-0.07248798	-0.032087203	-0.034270562	-0.70677125	-0.9944242	-0.8796265	0.33278966	-0.80050373	0.241411	0.70784014	-0.8961308	-0.18351735	0.09098217	0.10458853	-0.6373006	0.48185536	0.34506375	0.060594637	-0.09178482	0.703926	0.24099927	0.7392633	-0.052305944	0.35378116	0.19748102	-0.1283986	0.394835	-0.41283092	0.8605461	-0.96591437	0.28717625	0.006661249	0.08146889	-0.99938476	-0.537943	-0.29083633	-0.04263575	-0.30234718	-0.106470875	-0.16497183	0.50734305	-0.6549475	0.7108229	0.995051	0.30290955	-0.43189976	-0.048322298	-0.52164805	0.12176718	-0.7779306	0.1791623	0.05124263	0.11666802	0.21706426	0.99992114	0.07553657	0.23163228	-0.5194651	0.41761753	-0.28483567	-0.76071525	0.66340613	0.86631775	-0.8034877	-0.324328	-0.99982363	0.6304931	0.98035854	-0.7474201	0.4142762	-0.6838527	-0.22197957	0.17296465	-0.65173024	0.29365927	0.081395514	-0.93477637	0.71309215	0.19452836	0.16640188	0.046584114	0.35589007	0.68673265	-0.8250857	-0.45077056	-0.9454621	-0.042951778	-0.12807111	0.08406548	-0.066726066	0.4759066	0.8182882	-0.41064578	0.2215336	-0.5488367	-0.015009005	-0.12931389	0.27670038	0.270505	-0.3424563	-0.9343183	-0.8174193	-0.06886618	-0.30726662	-0.8324073	0.39943787	0.14833166	-0.2742105	0.47188938	0.2721668	-0.17541161	-0.44717625	-0.15154743	-0.5489932	-0.15570416	0.06379777	-0.20889592	-0.000502586	0.1140835	-0.09819298	-0.50908494	-0.59196866	0.60813516	0.45022756	0.366669	0.04252456	0.045007966	0.14182968	0.025613103	0.364068	-0.38655677	-0.07773656	-0.36616063	0.23107593	-0.99978983	0.40690264	-0.16131943	0.2584477	0.11755405	0.20631726	-0.03613436	-0.17402348	-0.027924905	-0.474652	-0.2668057	0.1671599	-0.000645902	-0.5474201	-0.61561686	0.999923	-0.11275014	0.3829567	0.5680628	0.40864727	-0.10126022	-0.67463976	-0.7153937	0.51710063	0.030904531	0.29157367	0.09423417	0.4789011	-0.6182622	-0.01862886	0.4467528	0.778092	0.6061432	0.6721732	-0.30369022	0.21729137	0.5284492	0.2826738	-0.3793012	0.12391849	-0.7214808	-0.35992664	-0.97341114	-0.32039496	0.50298315	0.5455924	-0.44541332	-0.44362333	-0.3428012	0.2466884	-0.03874385	-0.33206013	0.56650126	-0.6405718	-0.28410044	0.4412192	0.43188033	0.001563103	0.42396447	-0.70206267	-0.04507762	-0.27789623	0.99550694	-0.09095636	-0.27731898	0.27659228	-0.59529674	-0.39527074	-0.29674515	-0.28294513	0.098942034	0.23365037	0.9985338	-0.5060019	0.07793868	0.2479539	-0.15554096	0.3545668	0.03524124	-0.6012955	-0.022706095	0.17173672	0.9770473	0.035697635	0.46297088	-0.64062005	-0.87997365	0.9999456	-0.9976683	-0.18622342	0.37228805	-0.011868834	-0.023032278	-0.62694424	-0.05298844	-0.09823831	-0.965261	-0.56398183	0.45539823	0.3047675	-0.16780291	-0.5372818	-0.007367685	0.3348448	-0.37814426	0.8273881	-0.6865971	-0.001618007	0.030695789	0.9734285	0.16820751	0.077807166	0.025034713	0.71279967	-0.7667906	-0.28349778	-0.6372719	0.5373223	-0.893512	0.34833586	-0.4276414	0.48893726	-0.49695387	-0.056529682	0.20670956	-0.5882435	0.9252018	0.06728672	0.38308293	0.34784964	0.013746706	-0.68076646	0.4807413	0.4426443	0.35939977	-0.06571672	0.18706599	-0.62632734	-0.2658326	0.2750236	-0.1591731	-0.9708546	-0.06277273	0.22133128	0.41993234	-0.05290191	0.24878134	0.25600228	0.9998022	-0.07301367	0.5360241	0.20178519	-0.5218899	-0.54285395	0.6255005	-0.9572751	0.34594178	0.10473803	0.001427754	-0.41678613	0.8498919	0.17278847	0.69037896	0.5329662	0.4833161	0.5880124	0.9976026	0.23246795	0.5745	-0.047445852	0.54682255	-0.7719964	-0.3614653	-0.24104404	-0.65215427	-0.4433732	0.09992518	0.6561702	0.44948155	0.10460455	0.6391209	-0.71902704	0.7537797	-0.20757736	-0.2660439	-0.26195535	-0.7870633	-0.5396133	-0.87960416	0.49503368	-0.39926326	-0.77427745	-0.09654164	-0.22521754	-0.32195416	-0.46508023	-0.043153696	-0.65521896	-0.7437846	-0.12668344	-0.3017536	0.07085476	0.7155662	0.21847095	0.029743504	0.5079457	-0.50792706	0.8090495	0.5500901	-0.9626201	0.39571533	0.9990785	-0.031502187	-0.4880959	-0.9749214	0.55566525	0.28830382	0.645813	0.066956915	-0.2432259	0.66268796	-0.7321827	-0.86021835	-0.37250787	0.046310727	-0.12516083	0.2314	0.45789775	-0.009057631	-0.99997294	0.97863734	-0.79677624	-0.35140643	0.7402529	0.45971587	-0.21013471	-0.8431964	-0.403776	0.28436407	-0.24200483	-0.05524086	-0.862484	0.27798277	-0.43975687	-0.15522626	0.44254926	-0.44022182	0.19300139	-0.12888807	-0.99988747	-0.4416998	-0.4437227	-0.13640523	0.7771414	-0.5233017	-0.9845746	-0.37374339	-0.74550545	0.31465346	-0.7140728	0.21322516	0.05637993	0.9475214	-0.4188064	-0.7144066	0.36518627	0.81997555	0.32100165	-0.9341862	-0.57411283	-0.6049791	-0.41571876	-0.5283284	-0.9950446	-0.06775669	-0.27272472	-0.30071917	-0.14923503	-0.612993	-0.35398743	0.70501304	-0.040032234	-0.06453598	0.3200965	0.9741242	0.20547423	-0.1924909	0.3745708	0.04294575	-0.14041741	0.9996436	0.74831647	-0.2029234	-0.073702194	0.76619273	0.2757186	0.03879501	-0.98785543	0.07245163	0.706694	-0.3911714	0.06586436	-0.4898225
290	0	CC1COC(Cn2cncn2)(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)O1	-0.11286157	-0.53701115	0.18946607	-0.29385468	0.08706326	-0.43755916	-0.7467537	-0.22451712	-0.3291291	-0.13665573	0.38578358	0.3726663	0.07703368	-0.024562195	-0.04589762	0.01206963	0.19614328	-0.72074074	0.020094646	0.16872111	0.01762565	0.49847364	-0.30276987	0.030897165	-0.031075025	-0.8707011	0.1860446	-0.22846758	0.192367	-0.104857825	0.18368118	-0.55947185	-0.017542342	0.2069326	0.5292219	0.19104195	-0.5903272	-0.06971901	0.9994322	-0.8621515	0.30466676	0.8338564	-0.20037626	0.6329262	-0.019441135	0.53256243	-0.25541598	0.19083574	0.842257	-0.48565075	0.7593534	0.32199988	-0.43744153	0.65302914	-0.02848431	0.5795559	-0.39520434	-0.7156269	0.31344905	0.047853224	-0.37564147	0.117804326	0.60995096	-0.034130137	-0.23746091	0.108497255	-0.06107641	0.53247553	-0.46197715	-0.1985432	-0.7922002	-0.70432216	0.32873264	-0.62976164	0.4508282	-0.20704013	0.16601054	0.11317916	-0.48787782	-0.99772775	0.74439025	-0.4431272	-0.9707017	0.13976507	-0.4810752	-0.885726	0.17759985	-0.1821181	-0.3193148	-0.17948115	0.31399336	-0.119255446	0.6125859	0.3946966	0.9979376	-0.41715482	0.54112124	-0.3473517	-0.0864421	-0.16920482	0.1591803	-0.3249772	-0.30718553	0.98119944	-0.9984999	-0.96508926	0.076351024	0.32642448	0.95742565	0.69050705	0.7340426	-0.23276778	0.49483842	0.24012938	0.13617268	0.42573065	-0.79782456	0.63118	0.932919	-0.08093681	-0.35181367	-0.22950885	-0.33910555	-0.081669144	-0.5454305	-0.5326615	0.2830456	-0.74630666	0.047899716	0.99877846	0.060003676	-0.16955242	0.5647531	0.649723	0.14796901	-0.99406433	-0.58354336	0.15589216	0.4670795	-0.6665989	-0.99999917	-0.3383839	0.5263162	-0.28108838	-0.16753334	0.3767878	-0.04590423	-0.25255683	-0.9902589	-0.29715455	0.71705824	-0.8910157	-0.30583847	0.5477027	-0.24523436	0.10516599	0.40879795	-0.7067938	-0.30171996	-0.9619621	-0.41626552	-0.86691374	-0.47234765	-0.28890377	0.5252612	0.7533715	-0.050673768	0.13334274	-0.28815338	0.096098	0.25408337	-0.18887007	-0.21644513	-0.15522584	0.46214902	-0.2893747	-0.4186116	-0.13245927	-0.87401724	-0.3552599	0.4594254	-0.6171417	-0.6564244	0.41522652	0.69320554	-0.4796181	-0.1358978	0.8004742	-0.46036372	-0.21996447	-0.26403895	-0.16516614	-0.19971658	0.02054229	-0.40709776	0.6578542	0.18960124	-0.78174514	-0.19128582	0.512315	-0.38703233	-0.5566388	-0.26678884	-0.21743508	0.7315119	-0.09468518	0.5720285	-0.48916507	-0.51240027	-0.9998913	-0.5759503	-0.20627275	-0.22950512	-0.1320909	0.14800188	-0.4160631	-0.10235981	0.3576991	-0.3391371	-0.6332923	-0.6836813	-0.34408498	0.7372017	0.359393	-0.95204026	0.06485495	0.28655708	0.59023255	0.6642407	0.6511477	0.13960926	-0.67881644	0.4991174	0.4303918	0.863659	-0.29610726	0.09937958	-0.6320315	-0.05827333	0.096550055	0.95442855	0.04333192	-0.50996375	-0.2816579	0.73301345	-0.5221875	0.75372094	0.18604094	0.6806024	0.7366976	-0.09187732	0.018413741	0.24483216	0.36964104	-0.4127876	-0.36307323	0.66455436	0.3911685	-0.02492257	-0.16759978	0.060115643	-0.8042099	-0.106945515	-0.1734399	0.45353252	-0.020027488	0.64630497	-0.23760489	0.91430527	0.33247903	0.14364837	0.9986596	-0.48009574	-0.21874742	-0.085981466	0.38513312	-0.04749587	-0.6257894	0.61824584	-0.00270255	0.78144926	0.98995817	0.37737662	0.5076327	-0.25437877	0.5892682	0.5265067	0.9013515	0.7535758	-0.02153826	0.5311951	0.57936764	0.3082088	-0.002689206	-0.5317539	-0.30479705	0.9999999	-0.98119086	0.34102246	0.22202592	-0.13368183	0.056199785	-0.16676639	0.12611069	0.6913797	0.38716894	-0.9943497	-0.1553155	0.8304963	-0.05629126	-0.093533695	0.54196215	-0.27958748	0.16355301	0.7323165	-0.6989604	0.24965759	-0.64248353	-0.9999474	-0.05963077	-0.34277153	-0.7096537	0.11265509	-0.68662024	0.024047175	-0.40901712	-0.5632981	0.4107213	0.16670017	0.007884217	0.026497649	-0.6416727	0.44353807	-0.15931956	0.23525687	0.7128798	0.41429088	0.6861263	-0.4144867	0.44719994	-0.7873817	-0.5358365	0.2714852	-0.007693243	0.17037287	-0.75802964	-0.8424211	0.57727706	-0.5639148	-0.914744	-0.76916784	-0.26682863	0.6404712	-0.07948371	-0.077141285	0.5433362	0.85945696	0.99894935	-0.09108041	-0.010288156	-0.30096245	0.76481104	0.084826544	0.37943074	-0.79914176	-0.1989636	-0.339497	-0.3754141	0.32444307	-0.4500085	-0.41933942	0.60063505	0.077525005	-0.80228746	0.44801667	-0.9999998	-0.07942524	-0.29544088	0.17622009	0.38037017	0.5653381	0.053090602	0.032661036	0.5531992	-0.2360625	0.40218332	0.385417	0.26037213	0.1266202	-0.14872038	0.09022574	-0.13525765	-0.27605203	0.37774268	0.4875951	0.59643483	0.24307564	-0.31674376	0.39310253	-0.43321362	0.84039783	0.6196175	-0.38700214	0.79762316	0.09334151	-0.51707995	-0.8292418	0.10759878	0.5817285	0.31603336	-0.57469016	0.44402888	-0.13147618	0.30893636	0.47328183	-0.50580597	0.99999964	-0.33330724	-0.9503771	-0.45091677	0.9967562	-0.6660241	0.3408055	-0.9999195	0.730217	-0.89680785	0.07839507	0.25122076	-0.064032055	-0.2501125	-0.39610118	0.18644844	0.118287385	0.05838411	0.49837336	-0.16313744	-0.2741593	-0.24163558	-0.9999622	1	0.43675235	-0.67339325	0.27445948	-0.033055164	0.18362352	0.004728437	0.043866146	-0.29227197	-0.38827112	0.5208909	-0.8007926	-0.5709879	-0.6382488	0.116936006	0.4031904	0.10409307	-0.72855026	0.885559	-0.9994132	0.85990155	-0.6112544	-0.15479068	0.25639662	0.36980218	-0.7166889	0.5086684	0.033124194	-0.11514252	-0.2358774	-0.39672482	0.7430487	0.97250295	0.29795685	0.50641096	0.1867954	0.45877102	0.03454487	0.45227647	-0.3118571	-0.52170235	-0.10738208	-0.1173884	-0.9609322	0.47907206	0.1359235	0.1277026	0.25161526	-0.3694773	0.027094353	-0.033267558	-0.74596393	0.14826478	0.33403707	0.99870145	-0.33713973	0.10412914	-0.10804528	0.4135566	0.42885613	0.999805	0.53949946	0.028465806	0.11418561	-0.3477723	0.22655056	0.17715834	-0.9978296	-0.20102872	-0.00196777	0.03391484	-0.33772972	0.04726286
291	0	Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C	-0.6287469	0.15651742	-0.11234975	-0.40762874	0.2976323	-0.27719018	0.012956193	-0.30631685	-0.3482809	0.43468374	-0.6841546	0.037876315	-0.020832289	-0.54345113	-0.72255296	0.54800063	0.09051071	0.5535263	-0.70680565	0.763511	-0.6588983	-0.82436067	0.17798023	0.43422124	0.09502302	0.043230068	0.5233811	0.7852887	0.6005385	0.1817134	-0.13334028	-0.17804651	-0.32449606	-0.5141815	-0.1851379	0.43957785	-0.825749	-0.029478438	0.9869774	-0.892398	-0.9806694	0.18800241	-0.29982436	-0.7713297	0.7998183	-0.9513586	-0.05517941	0.2434781	0.99619305	0.04530037	-0.1440527	-0.05079488	0.12829241	0.001721746	-0.9264942	0.59173447	-0.6479552	0.36103356	-0.86234176	-0.41851714	0.011834219	0.06714604	0.7688178	-0.6199595	0.15584484	0.60317063	-0.28546014	-0.081953794	0.000703938	0.5809063	0.79420877	-0.8383689	0.5697774	-0.79771316	0.6200623	-0.55733037	-0.03254565	0.24473064	-0.28965417	-0.998195	-0.12891877	-0.43503818	-0.92332107	-0.2825157	-0.6030752	-0.7903723	-0.46710658	0.42682803	-0.34004566	0.47470388	-0.48613617	-0.2673178	-0.34580797	0.000171468	0.82879496	0.2907789	0.3329466	-0.47857255	0.37598506	-0.411753	-0.022198815	0.29481363	-0.09867403	0.8742056	-0.89876413	0.23091824	0.5355101	0.10168887	0.9900656	-0.66927004	-0.35815385	0.29699278	0.74278766	0.04582608	-0.41415596	0.8026914	-0.47060475	-0.11399875	0.99770635	0.027391592	0.019691152	-0.42548823	0.001811867	0.22469549	0.075014375	0.070182905	0.07586224	-0.34974858	-0.7227447	0.99985534	-0.61501914	0.17373694	0.22838093	0.009379177	0.7851434	-0.96689796	-0.263733	0.45076057	-0.8275381	-0.46413392	-0.99999005	0.24555624	0.9872766	0.031213125	-0.01727015	0.14561996	0.17379238	0.21193284	-0.17293859	0.110380925	-0.06692398	-0.8371435	0.33915728	0.23913601	-0.08258788	-0.5278567	0.23880835	0.9271979	0.11589275	-0.9184864	-0.97274345	-0.15718801	-0.5600108	0.45092988	0.5937935	-0.19928473	0.6560807	-0.52717626	0.2602467	0.40853292	-0.83233106	-0.018557552	0.1507442	0.68327445	-0.09926894	-0.8301243	-0.61290145	-0.000341201	-0.249926	-0.7897195	0.20383385	0.6948036	0.64134896	-0.07589989	-0.65300775	-0.7161112	0.4860235	-0.32048804	-0.2230418	0.26423636	-0.18598464	0.5176229	-0.14548407	0.6167665	0.30247578	0.432102	-0.6448172	-0.20701241	0.79551405	-0.52521074	0.36662933	0.13816941	-0.75943536	-0.51564974	0.7458416	0.4450993	0.30973187	0.6479804	0.49432942	-0.9996392	-0.008523901	0.1676938	0.38650212	0.4897981	0.40858996	-0.30586833	-0.006550936	-0.23506132	0.112217404	0.4820211	0.04473512	-0.5409353	-0.4272338	-0.49736318	-0.97834617	-0.11158506	-0.40018272	-0.6026009	0.11044064	0.45742697	0.3291483	0.25052914	0.7593775	0.18720616	0.39418775	0.41670907	-0.5912958	0.5121527	-0.11434896	-0.02911074	-0.9767979	0.16994695	0.21133061	0.33354813	0.5678614	-0.6515869	0.113562584	0.50153255	0.5618484	0.21216388	0.061046835	-0.7735951	-0.4148047	0.699585	0.1834066	0.41392404	-0.66872597	0.68192965	0.017297065	-0.74926895	0.64377165	0.22842273	0.08413409	-0.61181486	-0.38073733	-0.077720545	0.057589974	-0.22392485	0.9790786	-0.41301566	0.0542357	0.9556179	-0.15856113	0.68504584	0.5854591	0.04865706	0.63135254	-0.49886006	-0.28635135	-0.065253995	0.4431224	0.99966204	0.59612465	-0.14158246	0.15442422	-0.011381785	-0.38923433	0.8913657	0.9629327	-0.04042516	0.2881212	0.9918697	0.2939083	0.40008292	0.03848137	0.6205705	0.9999978	-0.9927067	0.53820217	-0.69179183	0.16658494	0.30446234	-0.37351805	-0.19661707	0.16526046	-0.73116	0.32682425	0.120391086	0.3328276	0.19972154	-0.3195771	-0.02494315	0.40117303	-0.2823402	0.94094694	-0.5740132	0.4860121	-0.31637454	-0.9999714	0.43981278	0.39723578	0.516201	-0.02399896	0.38860857	-0.7391515	-0.2665487	0.039825097	-0.9220766	-0.20953862	0.3459381	-0.026041845	-0.31359434	0.5669736	-0.14914997	0.022853928	0.78845125	-0.694234	-0.35933274	-0.8550116	0.6231885	-0.010254464	0.2774888	0.55405265	0.07350073	0.096376926	0.18803109	0.20986237	-0.3739099	-0.03614778	0.1021422	-0.9911713	0.7021754	0.06079192	-0.14474194	-0.028633248	-0.39965743	-0.18954304	0.99990374	-0.6223898	-0.16063671	-0.41552925	-0.6220372	-0.50493056	-0.2962288	-0.8549523	-0.41584083	0.09327825	-0.1890928	-0.5677757	-0.6533309	0.4318496	-0.4084137	0.6752094	0.34564167	-0.27290475	-0.98629695	0.3870984	0.12740065	0.19206122	0.19723442	-0.81240857	-0.2577833	-0.2900852	-0.75651366	-0.33577886	0.017827498	0.05291809	0.17729114	0.22765842	0.5332203	0.38487485	-0.13034464	0.15147312	-0.111901	-0.23015606	0.13450155	-0.43792278	-0.31649065	0.77407813	-0.70213544	-0.8875968	-0.11413473	0.25713816	0.20435996	-0.19531502	-0.21191896	-0.41056022	-0.5781454	-0.2458964	-0.37978846	0.54997134	0.11365119	0.14421383	-0.6046851	-0.21566957	0.7310992	0.99999976	0.42837372	-0.9798523	0.64001054	0.9992893	0.51881033	0.25607276	-0.9999472	-0.5957633	-0.28067654	0.56266123	-0.03892459	-0.58617914	0.38144824	-0.58362705	-0.08448826	-0.3665773	-0.31559873	-0.19299653	0.35930392	0.69324976	-0.002376191	-0.99999714	0.9999989	-0.87957954	-0.18133931	-0.30315384	-0.44458154	-0.584212	-0.7520421	-0.7489041	0.6993171	-0.062462177	-0.26022652	-0.88990355	-0.04729819	0.35519665	0.10341239	-0.40455705	0.5088685	-0.4979511	-0.54996765	-0.9999718	0.27962044	-0.34576896	-0.5359411	0.19824724	-0.64855146	-0.9955584	-0.44795495	-0.47030827	-0.3164008	0.043425746	-0.1499697	0.02288784	0.9747575	0.19810848	0.5819901	-0.20609394	0.7301854	0.3177891	-0.56498545	0.5754468	0.22565882	0.01485364	-0.52188647	-0.99623084	0.65884364	0.41004208	0.49842516	0.059191577	0.34340733	-0.43979952	0.7402392	0.7870389	-0.33792466	0.45813864	0.91390467	-0.1276527	-0.27675438	0.108578086	-0.39867464	-0.23895407	0.9998757	0.7507136	-0.06634991	0.33737907	0.4075561	-0.28747338	-0.3792938	-0.97322017	0.16169085	0.9426358	-0.29151008	0.70629114	0.44774738
292	0	COc1ccc(-n2nc(C(F)F)cc2-c2ccc(S(C)=O)cc2)cc1	-0.6793464	-0.41813716	-0.36772645	-0.24601632	0.18649352	0.46652573	0.6818207	0.42392853	-0.1393506	-0.019245084	-0.2720857	-0.4087406	0.18549056	0.017678473	0.45120588	-0.26964664	-0.29180905	0.09571839	-0.68707603	-0.38048384	-0.014642269	0.33310848	0.23840451	0.37532532	0.44036213	-0.1428913	0.60638696	-0.16087174	-0.028771937	-0.6469559	-0.21043961	0.08465475	-0.5093123	0.45694026	-0.13787697	0.5251619	-0.78654104	0.6493341	0.9990413	-0.67161816	-0.93577784	-0.044670727	0.19144993	-0.17884584	0.53225994	-0.006501836	0.33336	-0.11746274	0.86394525	0.23319973	-0.26145086	-0.019445999	-0.1508854	0.006255142	-0.55125993	0.04173754	-0.68187755	-0.65613735	-0.23977354	-0.29839897	-0.14590819	0.33100277	0.5791438	-0.7044592	-0.3050858	0.56608725	0.24002902	0.037300028	-0.54105145	0.48241392	-0.67396045	-0.8800158	0.08522229	-0.8782042	0.8001093	-0.6462433	-0.28829423	-0.03347775	-0.39367312	-0.9985529	0.3695688	-0.32860744	-0.93843573	-0.106161624	0.13508329	-0.90142316	-0.2762538	0.3313329	-0.43471074	-0.41046706	-0.28358826	0.46782312	-0.28046843	0.39653212	0.9860096	0.15387066	0.852574	-0.5772365	-0.5930301	0.13943905	-0.42680064	-0.30187753	0.15890718	0.9062525	-0.9963347	-0.69782794	0.059993222	0.47342113	0.9814624	-0.11305476	0.45058635	0.13199902	0.55346346	0.32406405	0.46757165	0.054718323	0.0992302	0.4689327	0.979785	-0.33171532	-0.45630842	0.3170807	-0.37868515	0.54942685	-0.21718812	0.49001917	0.43836123	-0.657941	-0.47038105	0.9996601	-0.38874945	0.25326547	0.59715044	-0.36788833	-0.14824502	-0.99247015	-0.19098952	0.006786007	-0.4870594	-0.60216117	-0.9999958	-0.2513583	0.7648633	-0.05130529	0.48897335	-0.449911	-0.18223652	-0.9266805	-0.9423895	0.445721	-0.06661176	-0.459291	-0.021388106	0.5034806	0.18491851	0.23765482	-0.31864196	-0.31708178	-0.6801355	-0.82750714	-0.6067656	0.79135877	-0.14634132	0.1522535	-0.41799662	0.035069406	-0.7647199	0.1265913	-0.44888714	0.020763595	-0.17550865	-0.43870506	-0.15487081	-0.51700354	0.15931875	-0.6642881	-0.40025756	-0.5287771	-0.13345116	0.49021462	-0.26176482	-0.72724795	-0.85885876	-0.14926086	-0.015530022	-0.06443676	0.3171501	0.05363691	0.06615822	-0.01743956	-0.043025833	0.059910882	-0.4906647	0.0931773	0.3732447	0.5965746	-0.60119426	-0.90052426	0.7133489	-0.23925987	-0.40477097	-0.3200798	0.012774732	-0.01592746	0.33620796	0.45862466	-0.79960495	-0.1746177	-0.61364156	-0.99983424	0.34441507	0.0646194	0.35580122	-0.036581818	-0.49165562	-0.012042478	-0.34020662	0.6450743	0.31084993	0.04140033	0.033268586	-0.3127027	0.30317926	-0.2507041	-0.96114457	-0.10501444	0.23776913	0.74392873	0.31750008	0.49783432	-0.1454399	-0.17411873	0.71064967	-0.020721655	0.19899121	0.10042384	-0.6158493	0.21871817	-0.27418676	-0.32198593	0.8278208	-0.29488316	0.41124362	-0.43753922	0.3178035	-0.025900764	0.12739062	-0.57014567	-0.09758056	0.33549204	0.07577219	-0.80024004	0.5296138	0.00515133	0.07043307	0.20839874	-0.5229663	0.40750435	-0.050205436	-0.3537636	0.32245767	-0.57071906	0.6270631	-0.29598102	0.06570783	-0.6690748	0.74703217	0.48984057	0.9522257	0.19287977	0.39320168	0.9931669	0.2673681	0.115123756	0.266858	-0.777648	0.24701229	-0.6108436	-0.2013973	-0.21541515	0.20597413	0.9959135	-0.36213103	0.01584862	-0.13796498	0.27277088	-0.2300508	0.9351491	0.9529795	0.19620554	0.59578943	0.86655635	-0.46794608	0.6987168	0.2926895	0.08694507	0.99999833	-0.9915357	-0.09883204	-0.22616525	-0.16538005	-0.6798706	-0.4556846	-0.28945506	0.89735967	0.55458117	-0.98010004	0.42179763	0.52068174	0.18743202	0.5338261	0.35175392	0.45484376	-0.8255803	0.37499124	-0.6216419	0.10072654	0.092896685	-0.9999609	0.28057808	-0.001494146	-0.490569	0.6135364	-0.17042638	0.13903762	0.078943014	0.081515685	-0.8669147	-0.4300455	-0.13145757	0.395277	0.6347986	-0.014241064	0.062991746	-0.08985317	0.5477462	-0.379008	0.31509146	-0.629013	-0.20342302	-0.29342377	0.8617805	0.43299088	-0.21248427	0.061118927	-0.002713323	0.28053954	-0.20322686	-0.62391967	-0.81396145	-0.88144284	0.2103026	-0.027214687	-0.40725207	0.21938753	0.46731117	0.8681444	0.99981445	0.4707973	-0.27831498	-0.21712781	-0.22051094	0.07135348	0.45735997	-0.7653473	-0.8407317	0.31998768	-0.255496	-0.22195865	-0.49131683	0.49267992	0.17038646	0.70345795	-0.58181727	-0.18531038	-0.9908203	-0.10194904	0.25399187	-0.20187214	0.26939943	-0.4638575	0.48352495	-0.22855984	-0.7406976	-0.47076318	0.3792612	0.27266487	0.005744263	0.03343908	0.61052835	0.5423637	-0.54531956	0.5844662	0.5436174	0.6631399	0.11264061	-0.29679275	-0.25905153	0.60657984	-0.42392227	0.4324353	0.67041034	0.21227486	0.21001112	-0.13377792	-0.095644794	-0.4204235	-0.7675361	0.47649017	-0.34388903	0.23124912	-0.42166764	-0.006715835	0.60843706	-0.36626717	0.23707448	0.99999976	0.16680682	-0.9710779	0.4345056	0.9995045	-0.16977273	0.058611363	-0.99985266	0.41432163	-0.5745183	0.38787365	0.4954016	-0.12592179	-0.094186574	0.2810771	-0.34887907	0.42058095	-0.60963184	-0.18517967	-0.0354298	0.07300085	-0.15114939	-0.9999741	0.9999996	-0.028725265	-0.22724079	-0.30105498	-0.692039	0.34944326	-0.6183614	-0.78563416	-0.28590414	-0.24579784	-0.32888144	-0.8367803	0.029706234	-0.33200964	-0.27557302	0.38739356	-0.5209835	0.40385935	0.7505615	-0.99977493	-0.5234916	0.42069173	0.25029993	-0.19756319	-0.4095018	-0.92116743	0.544514	0.037444245	0.3716428	0.045424256	-0.2884891	-0.6176326	0.97422975	-0.32898194	0.84096444	0.54163826	0.35241508	0.034419723	-0.27420288	0.30047596	0.14380433	0.028537769	-0.018043667	0.09140758	0.24394517	0.3622939	-0.34144464	0.29631072	-0.54698694	-0.59953403	0.5965995	-0.25172397	-0.025613762	0.22048691	0.99576056	0.12735423	0.053041518	-0.22579391	0.1249021	0.2245463	0.998893	-0.19245335	-0.05521438	-0.3085944	0.3151813	0.3749109	0.25113872	-0.9960171	-0.09854105	0.7228241	-0.4936278	0.101460636	0.16957083
293	0	CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC	0.98158175	-0.062350735	-0.35687277	0.39477935	0.14739344	0.30738857	-0.12816466	-0.71744263	0.3078916	-0.56338185	-0.8298822	-0.22439322	0.36054292	0.18714683	-0.42498407	-0.013555667	0.5939458	0.05374654	0.121177666	0.36366394	0.23693301	-0.2722431	-0.05220717	0.5573653	-0.13392186	0.42630413	0.097404875	-0.5326882	-0.062943265	0.33153567	0.57684	-0.078412324	0.17974265	-0.15908676	0.6889766	-0.57319546	-0.19210733	0.5291352	0.99872047	-0.12578428	-0.89972055	-0.565857	-0.096235536	-0.03636601	-0.15808533	-0.40788764	-0.45406193	-0.045180768	0.9994982	0.35056412	0.26921514	-0.01645614	0.41160443	-0.19300891	-0.3796094	-0.34036934	0.90465254	0.11783575	0.6299751	0.32760888	-0.048088286	0.5760522	0.084036134	-0.364747	0.5782254	0.8584393	-0.37892964	-0.09738946	0.708289	-0.06640821	0.73982686	0.032365248	0.005388103	-0.0169943	0.7359921	0.4243639	-0.6930839	0.5470861	-0.38589332	-0.99988925	0.1729386	0.12949696	-0.74063087	-0.4484368	0.49197042	-0.9426259	-0.53624016	0.5510209	-0.41092613	0.41793513	0.0490307	-0.6926138	0.11696718	-0.02232955	0.99872595	-0.27262998	0.47225112	0.25250712	-0.000446811	0.02158344	0.4541756	0.13317657	-0.29770073	0.86917096	-0.98870975	-0.7763191	0.4788004	-0.41905802	0.99714357	0.4232149	-0.24089769	-0.47357962	-0.30528247	-0.08963785	0.36106107	0.3166344	-0.120723516	-0.35899115	0.9775281	0.013409573	0.6042492	-0.31965876	0.3090873	-0.22834001	-0.22905628	-0.2746891	-0.019865023	-0.16310094	0.17044741	0.9999462	0.11596231	0.71796054	0.096351124	-0.030975776	-0.2727251	-0.94498354	0.079256974	0.063635185	-0.4479207	-0.017734816	-0.98766893	0.11179757	0.78707755	-0.58348054	-0.29947737	0.30189228	-0.15691216	-0.8121712	-0.9031758	0.001944342	-0.8467232	-0.960703	0.61762613	0.39361444	-0.11516531	-0.08198362	-0.36325556	0.20544845	-0.83422506	-0.95693773	-0.68103755	-0.5368851	-0.1637572	0.580979	-0.22012363	-0.25310588	-0.7809871	0.005147307	-0.2872488	0.48311064	0.4891232	-0.10460843	0.63587964	-0.11272741	0.4323933	-0.9645417	-0.06856034	0.21917346	-0.37509894	0.35512823	0.65851015	-0.9823101	0.44802493	-0.17521697	-0.33331478	-0.30011767	0.34167376	0.52998066	0.061505966	0.44458675	-0.7681547	-0.12083009	0.050360914	0.2617675	0.23928691	-0.2858094	0.27180517	-0.9141031	0.7159629	0.6902921	0.16545542	-0.716016	0.5769764	0.57505894	-0.4284053	-0.2002718	0.34034488	-0.38993606	0.07274005	-0.9999811	-0.5147143	-0.20899284	-0.20699264	-0.6438406	-0.18747523	-0.42237338	-0.6136733	0.12918447	0.23287298	-0.22659075	0.2221438	0.78088224	-0.36151725	-0.4103564	-0.9926919	0.3126215	0.21203896	-0.37035865	0.19214891	-0.02831605	-0.58115786	0.743297	0.33599263	-0.14977142	0.2620256	0.39649197	-0.38546446	-0.18208134	0.22913946	0.56522137	0.93107295	-0.068853125	0.5492708	-0.5265203	-0.4924784	-0.78431296	-0.5707367	0.24009706	-0.4735107	-0.025917644	0.5326215	-0.9971247	-0.21736933	0.6265971	0.07497947	-0.35652956	-0.33934367	0.02930096	0.3046659	-0.5353199	0.14343932	-0.21014233	0.284112	-0.4303178	-0.4837269	0.7726359	0.17025635	-0.889664	0.78495157	-0.44353265	0.13351756	0.8422148	-0.5389466	-0.58126915	-0.100232325	-0.90378106	0.45534623	-0.14641546	-0.20609324	0.8566234	-0.21569265	0.9941262	-0.2106644	-0.24483223	-0.14324947	0.36506438	0.5128839	0.86654675	0.7069612	-0.08142798	0.14907296	0.9263927	-0.50949043	0.7662929	0.57758343	0.25260097	0.9927783	-0.99683744	-0.27137536	-0.019362671	-0.43805158	0.53441215	-0.30733085	0.71323085	-0.34693733	-0.9278744	-0.921534	0.08688782	0.3952384	0.47796342	-0.04803525	-0.44117934	0.1824191	0.10349062	-0.2799652	-0.29537097	-0.61338097	-0.6920621	-0.99995035	-0.23031698	-0.42037988	0.7505535	0.09851354	-0.9534132	0.5113156	-0.47677985	0.1248711	-0.90853596	0.5662459	0.34757775	0.09654529	0.8376836	0.3222748	0.06540359	0.60430646	0.88470477	0.7620417	0.42966416	0.91753894	-0.30427864	0.06044813	0.694514	-0.24688071	0.777524	0.49130094	-0.3750179	-0.17221856	0.47047788	-0.45065007	-0.75094515	-0.9424943	0.7299173	0.18036318	-0.552335	0.8276572	-0.002001094	0.46310464	0.9996288	0.14453463	0.01304532	0.10184557	-0.14443575	0.5973417	-0.43780604	-0.73616713	0.07252599	-0.71619916	-0.6926324	0.05343936	0.007349413	-0.65634197	-0.24611472	-0.44659838	0.27759385	-0.39693263	1	-0.2212693	0.51945305	-0.20742767	0.27043048	-0.061584726	-0.049081083	-0.26672554	-0.07882659	0.62279415	-0.36837614	0.16683353	0.14485277	-0.16559388	0.5295666	0.4552621	-0.31194955	-0.1397158	-0.21504687	0.01218275	-0.97770983	-0.24074617	-0.7709267	-0.603906	0.022440666	0.535945	-0.002662783	-0.11349011	-0.093908764	0.028222118	-0.50085723	0.48856622	0.2235963	0.15629038	-0.034727972	-0.6594737	0.122530974	-0.5142673	-0.19735065	0.42771786	-0.83662295	0.9999999	-0.40491435	-0.9763524	-0.038295392	0.99728096	-0.8177218	-0.4180788	-0.9999379	-0.45781025	-0.9554589	0.08508052	-0.015824122	0.72080946	0.53235185	0.117688924	-0.90764195	0.4572497	0.30021697	-0.34043646	0.007711389	-0.020252727	-0.82844096	-0.99970895	-0.99633795	-0.4886432	0.7271858	0.4097186	-0.24112539	0.52661633	-0.31339815	0.82302535	-0.5909562	-0.106330566	0.7648486	-0.7129057	-0.2691958	-0.1365462	-0.17551579	0.7662037	0.012646913	-0.32430664	0.4408195	-0.9989872	-0.12726675	-0.3022758	0.55971634	-0.25517416	0.61143273	-0.8834272	0.67592764	0.35445127	-0.24732229	-0.19785456	0.5060685	0.35036248	0.9300705	0.2463379	-0.9684467	0.78992367	-0.1024038	-0.37093297	0.07379818	0.44221988	0.26897115	-0.8138641	-0.098046966	-0.9950052	0.29409152	-0.05115735	0.102494344	-0.31114656	-0.06345797	-0.2059076	-0.13321143	-0.4989486	0.48822173	0.029585637	0.9967983	-0.35219583	-0.4142017	-0.014963168	0.6346414	-0.37155023	0.99994063	0.66749865	-0.7475635	-0.29779002	0.08278456	-0.005718383	-0.3081108	-0.9981406	-0.48845872	0.29244685	-0.49962756	-0.06295588	0.069171526
294	0	CC(C)COC(=O)CCCCC(=O)OCC(C)C	0.98269886	0.15096395	-0.28534064	-0.11383185	0.3100221	0.03278851	-0.047426652	-0.0598339	-0.111577235	0.10879596	-0.46251488	-0.5592637	-0.32415614	0.54027677	-0.33726424	-0.25031093	0.3315139	-0.4552693	0.3368411	0.022325862	0.42840216	-0.69572014	-0.13859269	0.23803183	-0.19750053	0.2611543	-0.26294282	-0.18964991	0.029777894	0.8081321	0.001684253	0.14473216	0.611736	-0.06721096	0.72885364	0.5083523	0.034391504	0.5837571	0.971328	-0.15955268	-0.9649205	0.02647972	0.6653561	0.09599102	0.3637244	-0.9021089	0.4290701	-0.5991579	0.9994489	-0.8095054	0.17629704	0.075269416	-0.60218495	0.38390884	-0.3484208	-0.70430475	0.91687226	0.72885185	0.15288363	0.6070152	-0.30996218	-0.6002824	0.11374671	0.1274274	0.15365584	0.31431738	0.79618955	-0.71765506	0.45272937	-0.56894237	0.6660877	-0.940677	-0.02604236	0.8255339	0.34167567	0.3334712	-0.5780609	-0.113815024	0.26310164	-0.99998397	0.0831867	-0.34639663	-0.30129406	-0.3076729	0.23831207	-0.20128185	-0.1404013	-0.13998213	-0.21154734	0.18629451	0.103840224	-0.08512225	0.38660857	-0.08650497	0.9963645	-0.16583894	-0.32220355	0.18220773	0.2479256	0.31258002	0.52458596	0.40176296	-0.41176784	0.7620385	-0.6533564	-0.8201182	-0.15738784	0.23816974	0.99524146	0.7362831	-0.5798371	-0.34151652	-0.10416307	-0.38280457	-0.06584661	0.41574574	0.055669766	0.48509628	0.9960272	0.36683133	0.028893087	0.34445205	0.001898074	0.26284462	-0.49511155	-0.14271306	0.2777313	-0.5536709	0.38273525	0.9992556	0.050885912	-0.03298901	0.66221815	-0.33266848	-0.2107778	-0.9693145	-0.49577624	-0.59743726	-0.15020853	-0.010298783	0.99947166	0.6783783	0.8329895	0.36911532	-0.66017044	0.56579685	0.19623473	-0.7962139	0.21344528	0.68089825	-0.6142042	-0.95849663	0.62362045	0.7372269	-0.119045645	-0.28587905	-0.11710868	0.95774233	-0.6290961	-0.95586944	-0.9179871	-0.5525748	0.17720509	0.02736583	-0.31609866	-0.58592343	-0.007505574	0.68123055	-0.15737084	-0.30792683	0.24326262	-0.32454428	0.40378106	-0.5458034	0.3388735	-0.97169495	-0.08496626	0.4705627	-0.7087583	0.002604102	0.1463487	-0.9880878	0.5163313	0.16094494	-0.648621	-0.43803385	0.18263455	0.58197963	-0.06710903	-0.052278835	-0.80670273	-0.3380384	-0.30523115	0.55145663	-0.45562655	0.66709334	0.37449813	-0.888628	-0.101794735	0.3845399	0.18000397	-0.80414295	-0.03451819	0.1512659	0.2500728	-0.23922423	0.4879434	-0.117357716	0.010450119	-0.99978894	-0.49790737	0.18589477	-0.44563824	-0.16389388	-0.1497193	-0.27563247	-0.45421073	0.19931863	0.27255768	-0.6465582	-0.1461453	0.21694483	0.018010432	-0.20545056	-0.9945629	0.15019178	-0.50848234	-0.8292728	-0.45794716	0.227921	-0.5855486	0.5760094	0.22108418	0.020952342	0.45051917	-0.011122511	-0.19610085	0.08021438	0.4423468	0.60820496	0.9272907	0.25142473	0.576227	-0.5754578	-0.88924444	-0.6288374	-0.028132765	0.06549503	-0.2813993	-0.15292203	0.408863	-0.9998145	0.49792323	0.67660785	0.001724133	-0.21021163	-0.15202479	0.55205864	0.4298866	-0.7493235	0.010233748	0.020929003	0.25997564	-0.653528	-0.34823987	0.8205009	0.071551725	0.056783203	0.9169044	-0.5437206	0.24853909	0.8460434	-0.44388545	0.21383783	0.21565877	-0.6518663	0.22940041	-0.38143814	-0.07623369	-0.3940742	0.33401433	0.9987385	-0.14662528	0.041245297	-0.092226855	0.6097006	0.03731902	0.73303473	0.72660804	-0.56828123	0.23267017	0.9956554	-0.38936058	0.14928347	0.4762986	0.62083054	-0.9973827	-0.96380424	0.048255667	0.116480485	-0.036954865	-0.06407967	-0.11321828	-0.5167086	-0.35655022	-0.72523165	0.17164312	-0.6984457	0.6496523	0.71672827	-0.49012116	0.3357215	-0.05298193	-0.3753016	-0.27140915	0.31068224	-0.1762224	-0.57256943	-0.9999654	-0.58755803	-0.63345283	0.06486361	0.06203145	-0.5033387	0.6629464	0.38686612	-0.32243717	-0.77707565	0.41277814	-0.22180226	0.34728777	0.6328019	0.39036578	-0.2652586	-0.13970557	0.17580713	0.1985184	0.5261419	0.09548578	-0.34037796	-0.14547364	0.49976987	-0.44701627	0.6807762	-0.33239904	-0.19446559	0.0394237	0.13485299	0.23729342	0.1614272	-0.9786524	0.7235419	0.13903582	-0.113603026	0.2427366	-0.08191171	0.3446702	0.9995318	-0.17778307	-0.23308346	-0.13509488	0.5027558	0.3887882	-0.32803163	-0.15471388	0.4823282	-0.42730123	-0.2689403	0.20336135	0.037946597	-0.0397698	0.2249241	-0.8029069	0.546119	0.009937638	1	-0.49355525	0.18593077	-0.16024461	-0.87792027	-0.47894523	-0.3609354	0.7466098	-0.049923755	-0.041669354	-0.5774042	0.5422966	-0.6544857	-0.32305372	-0.10725366	0.034459464	0.38617036	-0.21403044	0.46868345	-0.4130973	-0.9690566	0.41203457	-0.031712275	-0.7824117	0.5516396	0.3660693	-0.53221464	-0.3605397	-0.12882516	-0.6367443	-0.49759263	-0.33052495	-0.21517809	-0.3652959	-0.4772451	-0.6635316	-0.2213737	0.13928017	-0.2105522	-0.53099847	-0.34143084	0.9999999	-0.14735943	-0.8153262	-0.06657922	0.99862105	-0.5971044	0.7365405	-0.999911	-0.059220083	-0.90132856	-0.8289211	-0.2794948	-0.5143999	0.19192666	0.49184462	-0.33035412	0.63205314	0.6821223	-0.46515077	0.36628097	0.3964988	-0.66471153	-0.9998706	-1	-0.8780262	-0.42624664	0.21296616	0.029604038	0.39426422	-0.2419901	0.81675506	-0.39699945	-0.66564566	0.32735035	0.24824242	0.000567723	-0.0509577	0.52942145	0.32926893	-0.42797703	-0.21986765	-0.7390992	-0.9996932	0.2554117	-0.6097082	0.28562763	-0.11592008	-0.022653777	-0.7477837	0.4938234	0.6411927	0.27330807	0.26908028	0.51767606	0.20279676	-0.9117605	0.25656688	-0.7472422	0.42270973	-0.15992972	0.09189374	0.20634137	0.68933916	0.5592798	-0.1564322	0.5280756	-0.97345537	0.8011838	0.2596948	0.3235926	0.35145754	-0.1321679	0.582929	-0.0825637	-0.26852083	0.6137386	-0.33303967	0.9403379	-0.010406495	-0.72588354	0.4568977	-0.1675657	0.16322498	0.999995	0.541357	-0.72870934	-0.20657256	-0.09722477	-0.12467609	-0.4086197	-0.9875283	-0.2893032	-0.12523314	-0.5429314	0.32952458	-0.43386644
295	1	CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C	0.98846495	-0.19267279	0.17632371	0.16678244	0.26442915	-0.09924043	0.10060821	-0.5796921	-0.0905896	-0.16225141	-0.41621706	-0.6016909	0.3650297	0.56122106	-0.76004153	-0.43959308	0.07845958	-0.23616531	0.41828611	0.3001492	0.082710944	-0.50198805	0.2964888	0.17242473	-0.31715864	0.4986105	0.09921219	-0.50645536	0.036179963	0.7328792	0.4271956	-0.24114445	0.18365219	-0.08719111	0.7722535	0.5378467	-0.1789836	0.46168944	0.9937716	-0.31169465	-0.97897035	-0.6441274	0.5741496	-0.014236655	-0.10155865	-0.82023144	-0.17868645	-0.7016766	0.9988337	-0.047091242	-0.17103192	-0.046393413	-0.5702143	-0.013346385	-0.33314475	-0.3616136	0.28013766	0.26470375	0.41574383	0.54889363	0.23074742	-0.087630615	0.6119976	-0.6187082	0.13024606	0.62356365	0.5702197	-0.35280302	0.4237321	-0.3627203	0.55433106	-0.9340106	0.15365022	0.19835413	0.43005517	0.16824302	-0.86864775	-0.31621113	0.03566696	-0.9999612	0.010642952	-0.15686938	-0.83671534	-0.3235217	0.08802642	-0.5184043	-0.15078531	-0.18332465	-0.5456985	0.7701813	0.10128211	-0.50547343	0.4346614	0.3900971	0.998378	-0.12752987	-0.15541315	0.30109978	-0.05893422	0.3107012	0.458662	0.33857623	-0.46401593	0.381968	-0.92365986	-0.87059474	0.06542865	-0.08669559	0.9967537	0.53637034	-0.080944926	-0.46245632	-0.49854016	-0.45487788	0.4374739	0.41799402	-0.16220884	0.44446003	0.99625486	-0.44872418	0.6085469	-0.30405116	-0.08754593	0.107905194	-0.18317139	-0.25207782	-0.105166785	-0.71389306	0.32957244	0.99932534	0.210119	-0.08025988	0.36422867	0.22020422	-0.48494044	-0.96762335	0.017846161	-0.18996763	-0.59310424	-0.048719686	-0.9837705	0.5593651	0.8305798	0.4418499	-0.55223465	0.71696454	0.020128833	-0.58174074	-0.35289162	-0.26512992	-0.6498214	-0.9487103	0.2357382	0.56808144	-0.2803278	-0.24289656	-0.4733944	0.8494465	-0.8076492	-0.9578113	-0.89712405	0.06850377	0.012189457	0.51981443	-0.22889006	-0.5231718	0.171866	0.8367601	-0.36091864	0.5955006	-0.002258967	-0.1920836	0.6769895	-0.637066	0.08564338	-0.97184336	-0.19616657	0.30337384	-0.40988597	0.09897197	0.531456	-0.98904556	0.20398127	-0.093530186	-0.39497742	-0.53679293	0.34426504	0.350614	0.3065521	-0.52848643	-0.2895187	-0.49320415	-0.23838931	0.6865302	-0.030481217	0.48303187	0.29320952	-0.86951524	0.32978907	0.5482577	0.28553626	-0.34614253	0.25370023	0.26902637	0.17320956	-0.101176396	0.68410885	0.30279452	0.05708061	-0.9999143	-0.3920693	0.052202288	-0.32626346	-0.16086656	-0.046838194	-0.001405823	-0.27999613	0.35219458	0.42971745	-0.69315434	0.16963595	0.3019164	-0.2545958	-0.763921	-0.9923812	-0.08030647	-0.06381783	-0.8306296	-0.3435281	0.5279164	-0.6613681	0.79788464	0.16041414	-0.34100774	0.22350286	-0.053136285	-0.5442327	0.093710184	0.044375308	0.34990895	0.93651944	0.21285023	0.45226884	-0.7052536	-0.047991116	-0.749749	-0.27219003	0.46680322	-0.35449913	0.08024896	0.41994122	-0.9978371	-0.2546234	0.64470136	0.32621726	-0.61319786	-0.26097667	0.51841974	0.33644563	-0.5846751	0.15286036	-0.35098535	0.41936347	-0.45971313	-0.5516333	0.7761192	0.105031475	-0.14723851	0.91843575	-0.002097589	0.32722446	0.74112463	-0.28386998	-0.2307835	-0.023005348	-0.7326518	0.3625342	-0.44452012	-0.2688852	-0.0689319	0.5646213	0.9981862	0.06550196	-0.37437356	0.03621762	0.63135016	-0.16631009	0.6035655	0.77174217	-0.59288174	0.67738694	0.98825896	-0.32702586	0.89999	0.37720916	-0.19811489	0.9934533	-0.966319	0.26401532	-0.33945793	-0.010237105	0.53221005	-0.3395171	-0.24435452	-0.5007812	-0.56975335	-0.3864632	-0.6114805	0.42104462	0.6619089	-0.13894746	-0.32680777	0.19316114	-0.3353433	-0.42947942	-0.33661732	-0.3107898	-0.6786254	-0.99997824	-0.3643871	-0.58884406	0.47919255	0.198106	-0.5475622	0.31804657	0.17701265	-0.033436954	-0.8685234	0.5909744	-0.27387443	-0.17631517	0.7148682	0.24899869	-0.31062725	0.19164035	0.13322768	0.40562117	0.3204731	-0.054434367	-0.30930725	-0.23154838	0.5801007	-0.4818445	0.7620522	0.06514246	-0.06599361	0.10456155	0.18971027	-0.38538092	-0.26966235	-0.962991	0.8605121	0.068319656	-0.35036027	0.7470906	-0.41506374	0.6679878	0.99914014	0.2069972	-0.20638849	0.33712807	0.11061448	0.0371185	-0.6144262	-0.5957313	0.63942397	-0.41695827	-0.30677247	0.25534314	-0.16209114	-0.4278097	0.18345287	-0.006386681	0.52489316	-0.069565594	1	-0.42912772	0.4051591	-0.4324641	-0.56959516	-0.6443252	-0.18160939	-0.35078657	-0.16535348	0.27278715	-0.29292127	0.2962785	-0.0312229	0.014699881	0.4839435	0.43459475	0.16086164	-0.30523634	0.4751716	0.18279956	-0.9179468	-0.20747095	-0.2738214	-0.082117125	0.08458099	0.37396538	0.13136643	0.15323989	0.21538655	-0.24533562	-0.525507	-0.15722008	0.17695144	-0.15774214	-0.49648863	-0.63928175	0.1789104	0.015632674	0.28405762	-0.29032725	-0.56861246	0.99999994	-0.44287768	-0.9852409	-0.25947556	0.9995272	-0.8908639	0.5352177	-0.99993074	-0.09526385	-0.7820966	0.22977895	-0.40256095	-0.08979842	0.20105071	0.5133003	-0.22582403	0.49558946	0.84392637	-0.5100189	0.12501916	0.42387596	-0.82819545	-0.99991834	-0.99682605	-0.8756316	0.116210744	0.2512167	-0.09592023	0.38607398	-0.43542367	-0.20998167	-0.34257957	-0.764035	0.24547637	-0.71015704	-0.12771349	-0.15943354	-0.17772686	0.6406106	0.17274903	-0.4857536	-0.3739044	-0.9998052	0.25689682	-0.3568187	-0.24160068	-0.52801526	0.08995173	-0.7790953	0.7165056	0.6537595	-0.23534825	0.06883542	0.6703029	0.062793136	0.92287904	0.2913177	-0.09575413	0.48448882	-0.27208096	0.2050563	-0.012391483	0.63267374	0.74983406	-0.27366802	0.1809072	-0.88702935	0.48735017	0.30643028	-0.32981288	0.19794063	-0.36335167	0.13427769	0.53955215	-0.3055931	0.48033422	-0.044396296	0.97763723	0.15037724	-0.29884154	0.048237555	0.52365977	-0.2418892	0.9999432	0.4387628	-0.78409946	-0.025354031	-0.24116367	0.19837928	-0.17180297	-0.9877786	-0.5059601	0.001406391	-0.41608748	0.22569908	0.09583843
296	0	CNC(=O)CSP(=S)(OC)OC	0.8586752	0.7122127	-0.67366326	-0.1390138	-0.3600613	0.15763706	-0.92591166	-0.16929437	-0.77152914	-0.004119057	0.09172262	-0.6755983	0.40635857	-0.027923342	-0.16871497	-0.1139106	-0.43630332	-0.021953508	0.25676736	0.4148224	0.21196766	-0.56913674	-0.55521995	-0.12715629	-0.24332406	-0.4153147	-0.042121626	-0.6760052	-0.3396503	-0.104866214	-0.45035455	-0.6315554	-0.14481908	-0.3120211	0.57457507	-0.6845965	-0.17035149	0.2610063	0.5206701	-0.6739806	-0.9735255	-0.3605276	0.80891025	0.5433271	0.18609065	-0.98768336	-0.044736918	0.21038741	0.9857219	0.35096166	-0.13328099	-0.6415673	-0.50319654	0.4900588	-0.68174654	0.27909315	-0.2690499	0.8948545	-0.42048818	-0.32740527	0.23157817	-0.1028138	0.5686231	0.24793029	0.20105825	0.19508882	-0.30459324	-0.5127828	0.18638833	0.09368811	-0.18486622	-0.9994655	-0.36623278	0.8537437	-0.31872675	-0.6459344	-0.123700164	-0.741896	0.889864	-0.99995315	0.41993266	-0.49936828	-0.5719288	0.032036066	-0.09205719	0.89912987	-0.03943	-0.39074436	0.31021622	-0.42436036	0.34955245	0.45127764	0.28603244	-0.78297776	0.9961589	-0.30707115	-0.79505616	0.46794397	0.20600921	-0.41740015	-0.5396976	0.10527155	-0.20445721	-0.57077324	0.7694612	-0.9213219	0.01728837	-0.39116803	-0.9231933	0.6456149	0.6459907	-0.25027403	-0.70185834	-0.70266116	0.120132245	-0.5823624	-0.43598858	-0.19159196	0.99945635	-0.36405227	0.5452787	-0.15167531	0.10889404	-0.02660686	-0.3816027	-0.40165985	-0.33788705	-0.4119555	0.043107815	0.8972568	0.48068735	-0.14139114	0.1681723	-0.2890024	0.30297118	-0.9296134	-0.7109049	0.15262493	-0.39410877	-0.051029965	0.99805844	0.061512783	0.8497719	-0.042253252	0.15738885	-0.16070226	0.22033828	0.33640525	0.9523715	0.32078704	0.16110618	-0.19108263	-0.66960126	-0.0943644	-0.19930458	0.08806618	0.24487804	0.9984211	-0.62320846	0.21082915	-0.9854762	0.12507352	0.36882696	0.48430696	0.8664255	0.12110422	-0.19531825	0.44140592	-0.34648314	-0.108312815	-0.66578156	0.4894881	-0.37609127	-0.18843202	0.40823907	-0.66669613	-0.73420155	0.27062047	-0.6605309	-0.56549644	-0.6529482	-0.98839897	0.30595666	0.4731301	-0.30683532	-0.31803155	-0.217022	0.23920535	0.05323772	0.4166038	0.16726185	0.4173937	0.16909033	0.3091932	-0.47142103	0.54537195	-0.005007141	-0.94823563	-0.53311324	-0.2647865	-0.2950228	-0.0808571	0.31207073	0.03262813	-0.45296833	0.17077857	0.41266373	0.050338507	0.06970481	-0.99412453	-0.4796708	0.4210097	-0.6237552	0.45606282	0.02715958	0.74398154	-0.21437289	0.38140982	-0.3653627	0.67402065	-0.82525504	0.014558989	0.096633345	-0.04207807	-0.9731273	0.07994675	-0.04876789	0.48575342	0.012398159	0.23340139	-0.81213635	-0.5895514	0.11672991	0.055545043	0.24108249	0.3694395	-0.029285327	-0.10517723	0.040142544	0.8078754	0.65859646	-0.30491593	-0.083657704	0.5091227	-0.37769872	-0.15823898	0.5262849	0.080641784	0.06172248	-0.019795416	0.66086966	-0.99982065	-0.5836672	0.20207861	-0.31604072	-0.47377878	-0.19940867	0.07190133	-0.3216983	-0.14274196	-0.6124285	-0.743768	-0.07862042	0.33759224	-0.6860238	0.43112093	-0.19485326	0.6178269	-0.11775475	0.1808663	0.64888424	0.9805963	-0.32404616	0.7117849	0.41058245	-0.95053643	-0.078804225	0.41543832	0.6198062	0.7449043	-0.35572898	0.99879885	-0.63063735	-0.23066561	-0.541997	-0.62828815	-0.45623872	-0.71354425	-0.9350835	-0.7201258	-0.24278882	0.999549	0.55897707	0.89167637	0.6460916	-0.094023585	-0.9960495	0.2909979	0.5492271	-0.4992725	-0.52598786	0.6074102	0.3149354	0.6394124	-0.26591375	0.52807486	0.99368954	0.4348929	-0.073620014	0.6753628	0.38229835	0.75728554	-0.55178237	0.24317941	-0.44359347	0.2720838	0.015705403	-0.23695408	-0.9183531	0.18657611	0.04663384	-0.3062023	-0.18842107	-0.48732358	0.6531125	-0.5284969	-0.5649138	-0.25369328	0.24325472	-0.2936097	0.14049034	-0.19073054	-0.5376943	0.626835	-0.2901442	-0.9436606	0.10788102	-0.36193994	-0.2895411	-0.06447577	0.040149245	-0.14604333	-0.6787781	0.57935405	0.59788823	-0.006431327	0.41805315	0.352406	0.5365053	0.87717044	-0.9816481	-0.6583488	-0.3043735	0.69145846	-0.023942774	-0.06375621	0.02374934	0.9998509	0.247523	0.32748342	0.5276159	0.42034748	0.46523866	-0.38598666	0.24997677	-0.16468957	0.104638785	0.26170993	0.061474346	0.07036678	0.33075503	0.2070035	-0.37283757	0.7554884	0.40191332	1	-0.20143844	0.5980368	-0.18004043	-0.32910377	-0.73442185	0.73134875	0.6308113	0.49456123	0.78141314	-0.40362933	0.010197361	-0.08828397	0.07626676	0.32418773	-0.3175973	0.105154514	-0.10036055	0.04071758	-0.5188777	-0.90873945	0.1355193	0.2933362	0.09855454	-0.23484632	0.5586422	0.23365584	0.35143852	-0.020488912	0.5653899	0.5679959	-0.49133912	0.49313742	0.5173233	-0.6852389	-0.8429215	0.6651416	0.50543714	-0.08045514	-0.19967212	-0.12171075	0.9999001	-0.41510785	-0.8577083	-0.55920756	0.99861866	0.28692737	0.51432353	-0.998413	0.44695032	-0.14333555	0.06371298	-0.10754177	-0.597261	-0.41242266	-0.6613269	0.9681581	-0.11396423	-0.17079906	-0.09475805	-0.1428861	0.45550203	0.32580167	-0.9999275	-1	-0.9966788	-0.7333582	0.3724223	-0.8071713	-0.3576193	0.56292033	-0.74033046	0.5842545	0.75342464	0.088403024	0.029920282	0.127565	0.76160485	0.24380513	0.58000255	-0.2983058	-0.6660522	-0.9876467	-0.99973905	0.35748982	0.30511647	0.6904117	0.18810096	0.26048538	-0.058467995	0.14437403	0.20985806	0.20288779	0.4238735	-0.7369663	0.6292209	-0.8908703	-0.44456092	0.6825981	0.20024355	-0.6121794	0.17702413	-0.077754445	-0.10293071	0.32324725	-0.6127871	0.9263188	-0.98924243	-0.05563198	0.6405032	-0.609939	-0.17958312	0.21383929	-0.13833171	0.4426526	0.41224575	0.8417813	0.40483335	-0.6145562	-0.5400818	0.6237023	-0.5541589	-0.75028497	-0.021922039	0.99996805	0.2757888	0.74813724	-0.23845425	-0.5167637	-0.20494433	0.6102409	-0.61779857	0.28771716	0.06989087	-0.17712393	0.19725049	0.4114584
297	0	COc1ccc(C(=CC(=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC	-0.506387	-0.5205569	0.13900596	-0.46517295	0.29332623	-0.39341652	0.30432048	-0.44789475	0.09998304	0.49332407	-0.49914923	-0.37975103	-0.19448227	-0.4989494	0.24761707	0.05006319	-0.035744023	-0.14473507	-0.40980065	0.040725082	0.034128454	0.1037702	0.215824	-0.6250552	0.424336	-0.74059397	0.18113464	0.27456704	-0.44998184	-0.6316436	-0.16310823	-0.83736926	0.058802467	0.5710433	-0.18173021	0.13101202	-0.31725946	0.7340094	0.99960274	-0.35276377	-0.91228986	0.04517965	0.016760474	-0.42235336	-0.2880045	0.15592651	-0.000245466	0.30151716	0.9578676	0.42780828	-0.39818683	-0.26692793	-0.13146327	-0.020654824	-0.35743684	-0.39063603	-0.4502488	-0.73308885	-0.30930695	-0.14776808	0.5321358	0.6665105	0.00891892	0.10981069	-0.22842422	0.46602258	-0.037424833	-0.02513856	0.0444453	0.58373713	-0.6579598	-0.9595646	0.5790954	0.16264194	0.75121355	-0.6218412	0.1735938	0.47630325	0.1759397	-0.9997921	0.68591297	0.16781221	-0.8332305	0.059981953	0.29769325	-0.6979643	0.29612684	0.16885875	-0.48803356	-0.5542486	-0.016812554	-0.4398992	0.6944386	-0.72806096	0.99743927	0.29663903	0.64054877	0.30311343	0.64634293	0.22577067	0.1934103	0.029281635	-0.68227804	0.9489862	-0.99820846	-0.545482	-0.2896633	-0.17485568	0.97510934	-0.472499	-0.088923976	0.39482844	-0.53292227	-0.23709448	-0.4840352	0.45753995	-0.022238892	0.5858562	0.94789094	0.24189153	-0.6071345	-0.07362678	0.38567874	0.110108584	-0.4087018	0.5819442	0.3563948	0.18554208	-0.27543768	0.9994609	0.20034975	0.3081418	-0.4410199	-0.04545227	-0.20345083	-0.9969862	0.6604723	-0.2917431	-0.59429	-0.72765756	-0.9999938	-0.25675973	0.68366146	0.3032758	0.73206973	0.048441477	-0.66958135	-0.35362324	-0.9868327	-0.15675727	0.80066127	-0.13984936	-0.30368617	-0.06127356	-0.5682253	0.15119568	0.13120875	-0.6989826	-0.87647194	-0.9268912	-0.4431638	0.48794702	0.010288416	-0.25489634	-0.39700007	0.1474252	-0.6434103	0.2989683	0.7786483	-0.23592809	0.05846267	0.688542	-0.56711817	-0.525959	-0.31475797	-0.8871824	0.28343678	0.12138183	0.15763055	-0.10285836	-0.20631264	-0.8039941	0.15212528	-0.4853412	0.23940448	-0.7865727	0.03146523	-0.50051457	0.77146775	0.57821375	-0.64672935	-0.12331194	-0.09883301	0.5062682	0.1937434	0.068207644	-0.4088812	-0.9029282	0.49330541	0.5548227	-0.6780134	-0.031418167	-0.08159478	0.23461004	-0.37997708	0.26419833	0.48134905	-0.3106773	0.007128106	-0.9999488	0.15165716	0.101819195	-0.23208188	0.464098	-0.76073533	0.039166763	0.5364824	0.19372897	0.28540963	-0.1274208	0.05898864	0.07743024	-0.8740294	-0.40811753	-0.98630106	0.13358197	0.31396058	0.05306074	0.041230876	0.36514753	0.17010257	-0.000422951	0.66069806	0.1908402	0.2839815	-0.7675314	0.34986398	-0.6908052	0.18288408	0.019343872	0.8009538	-0.57502013	0.80330175	0.09614333	0.5604689	-0.44688237	-0.07894746	0.29884297	0.3200378	-0.4636734	0.49352458	-0.7249962	-0.61587256	-0.7641309	0.7097929	-0.23750943	0.2811121	-0.5519003	-0.020151842	-0.22137438	-0.39970896	0.52793527	0.43463424	-0.46218133	-0.22958007	0.42281836	-0.3968388	0.2973744	0.9478823	0.61869127	-0.16352564	0.9726241	-0.36132127	0.3644975	-0.67288136	-0.794075	0.6022018	-0.23444654	-0.302211	0.46606737	-0.10620414	0.9883521	-0.6734712	-0.5798584	0.34155357	0.47366345	0.41886386	0.9113243	0.7542253	-0.43500414	0.32132867	0.5882926	0.24228941	0.48108485	-0.35450763	-0.81225497	0.99999875	-0.9841763	0.306093	-0.15102127	-0.53047436	0.04230429	-0.13116744	0.16388692	-0.52077866	-0.8057692	-0.99284947	0.233092	0.8768579	-0.39862764	-0.30374062	0.29542077	-0.03952341	-0.066364504	0.4876339	-0.38483402	-0.23712139	-0.23395519	-0.99992627	0.36690798	-0.40071937	-0.019308342	0.22106819	-0.5180895	0.2652456	-0.42265996	0.39398706	-0.7748901	0.69186074	-0.17721343	-0.32472983	-0.20983931	0.25895256	-0.4501547	-0.250626	0.24310769	-0.6808275	0.33787903	-0.04916446	0.72597367	0.41604853	-0.30865952	0.12190639	0.542819	0.3901454	0.14076489	-0.28731123	-0.395568	-0.16436024	-0.9134041	-0.7976059	0.39963633	-0.21345226	-0.00944222	-0.16614276	0.09909887	0.22431564	0.9997319	-0.52853197	0.000202423	-0.07219696	0.029397564	-0.39078125	0.28052872	-0.8175219	0.17475949	-0.003820311	-0.62213427	-0.57536286	-0.09112779	0.24042915	0.48892048	0.32119006	-0.44325873	-0.24010071	-0.9850568	-0.58794826	0.4070098	0.58319974	0.5302021	-0.04296395	-0.6586404	-0.16658445	-0.37485465	-0.30236313	0.15160832	0.5634841	-0.22153024	-0.42515528	-0.052598007	0.22898407	0.6117169	-0.11789696	-0.33713534	-0.07282535	-0.41342935	-0.18531165	-0.6010304	0.23583269	-0.114847824	0.67858994	-0.075839296	0.60192966	0.040661953	-0.073839396	-0.64101386	-0.6582836	-0.4787624	0.11511522	-0.7231398	-0.4461331	0.27956977	0.5967487	0.02296158	-0.54251766	-0.43635505	0.9999998	0.17242193	-0.91535234	0.3883577	0.9982046	0.3462629	0.076740526	-0.99990416	0.28482696	-0.80062306	0.2523944	0.021404842	-0.40643668	-0.3112298	-0.020143332	0.10639593	-0.38034624	-0.23464838	-0.4592866	-0.47794482	0.6133774	0.18628697	-0.9999242	0.9999995	0.39365676	-0.69681317	0.055265747	-0.7754814	0.42793566	-0.34410763	-0.85625565	0.22673516	-0.32776317	-0.23027106	-0.70168895	0.37375706	-0.09508481	0.30821928	0.2723431	-0.042874243	-0.3072848	0.9164663	-0.99926484	0.63155496	0.37194395	-0.094966315	0.60535574	0.38256526	-0.8517648	0.10461619	-0.58583796	0.30915886	0.23510161	-0.036121015	-0.27889284	0.95823276	-0.07229224	0.70681715	0.007644491	0.50606084	0.44174668	-0.45274162	-0.7081579	0.012978567	-0.2644352	-0.31273797	0.006685277	-0.2683858	0.05194554	0.3818937	0.2020918	-0.6290544	0.5577017	0.2345835	-0.10474483	-0.038865052	0.80643	0.99901885	0.13875999	-0.45951432	0.4812226	-0.48283985	0.30285397	0.9989172	0.49950212	-0.007702052	0.019334408	0.09625939	-0.07249995	-0.24381778	-0.9979768	-0.059553504	0.77101433	0.001641114	0.51490843	-0.15580115
298	0	COC(=O)CCCCC(=O)OC	0.95358187	0.24263312	-0.7927643	-0.23502177	-0.30395976	0.21701185	0.13822153	-0.003858436	0.10052747	0.16869022	0.39965054	0.0681438	-0.10236857	-0.24839242	-0.14840907	0.60503113	0.6207904	-0.21597157	-0.15465365	-0.012968998	0.45885983	-0.79563946	0.0698247	-0.046006653	-0.17658174	-0.6807199	0.13703673	-0.29613042	-0.65591097	0.11277362	0.24677813	0.28457135	0.57818514	0.103282675	0.40829137	-0.76044977	0.19646816	0.6332518	-0.22011515	-0.34602284	-0.99196273	-0.20683481	-0.14139706	-0.033144232	0.22706997	-0.9941684	0.28728706	0.3182537	0.9921793	0.30821416	0.24980554	0.14655176	-0.24723649	0.6058405	-0.82984805	-0.15334749	0.772299	0.962461	0.06438574	0.040677086	-0.2477493	-0.25466496	-0.0720155	0.37630713	0.5108965	0.10606321	0.27816266	-0.5483661	0.12053071	-0.17370383	0.7635378	-0.99957687	-0.23515053	0.8472359	-0.2895112	0.83213735	-0.65640366	0.045621008	0.38858995	-0.9999918	0.4085913	-0.53877145	-0.25612482	-0.5381488	0.056808442	0.9159336	-0.047471665	-0.21111757	-0.23832129	-0.66097885	0.1883693	0.17834426	0.4207309	-0.28702036	0.9935264	-0.18650167	-0.16557302	0.002778204	0.009632788	-0.049533747	0.21500994	-0.2637731	-0.3150975	-0.19573708	0.93662226	-0.8636451	0.686635	-0.1313907	0.98429	0.7649883	-0.35282475	0.036652688	0.17424396	0.02574016	-0.32543316	-0.28196177	0.0954059	-0.2251637	0.9987238	0.43123382	0.2488275	0.21486816	-0.11147605	0.10203033	-0.5162527	-0.03779164	-0.5716465	0.53048295	0.2607504	0.9812677	0.08267017	0.46778303	0.2671382	-0.35739556	-0.32179835	-0.9290889	-0.39818987	-0.3577256	-0.47658846	-0.14744404	0.9994917	-0.4007225	0.8638546	0.20433307	-0.3008662	-0.3500962	0.5717086	-0.2445368	0.99071425	0.7002091	0.02251126	-0.7063998	-0.029369447	0.101223774	-0.51388943	-0.11493257	0.03680723	0.9987296	-0.35622877	-0.8769602	-0.99048436	-0.11676924	0.54682904	-0.08204699	-0.18609107	0.0725983	-0.7584881	0.13129854	-0.175846	-0.30528829	-0.21156056	0.60769904	0.009161979	0.041797765	0.83730763	-0.972134	-0.4982984	-0.11120562	-0.5831676	-0.23508152	-0.46230727	-0.9957318	0.4284978	0.34394455	-0.86061245	-0.05049393	-0.13693805	0.20652704	0.23827566	0.4769966	-0.27535987	0.25863683	0.46498197	-0.01541173	-0.4527049	0.36493295	0.11177442	-0.95171326	0.002900836	-0.20574057	0.028014356	-0.62425464	-0.27150777	0.09271664	0.19473203	0.19498667	0.23340984	-0.06950428	0.006759045	-0.97148496	-0.40295652	0.12832071	-0.1236728	-0.35870475	-0.26129186	0.23344225	-0.25268275	0.23051015	0.29197985	0.1691703	-0.7389353	0.21467404	0.44383264	0.012243014	-0.9430366	0.08436907	-0.33685595	-0.088006765	0.06548657	0.03223269	-0.38344756	-0.043068983	0.2842748	0.097330645	-0.30273083	-0.3342982	-0.5150471	-0.4061049	-0.15756473	0.448854	0.83969307	-0.052184343	0.15605143	0.096214846	-0.75820905	0.21642572	-0.10674939	0.38957182	0.4104394	-0.030461693	0.1351318	-0.99980634	0.20138013	0.4353337	-0.48881656	0.27775416	-0.7219175	0.26506922	0.33082962	-0.62392193	-0.10361148	-0.04167386	0.38312933	-0.2822659	-0.19238237	0.7277536	-0.047598563	0.61270833	0.7029983	-0.46323138	-0.16118507	-0.47118556	-0.20262901	0.106526874	0.101001784	-0.88719887	0.15484212	-0.06778782	0.2763437	0.7272217	-0.5217478	0.9991181	-0.53928393	0.3257053	0.014151934	0.0828216	-0.427681	-0.052827395	0.75691026	-0.1452799	-0.41989794	0.9994378	0.28505877	0.53154945	0.4994049	0.67195755	-0.9960267	-0.16923685	0.17599319	-0.21488188	0.035499286	-0.05623346	-0.09811224	0.57899565	-0.48649046	-0.258958	0.99326557	-0.17995325	-0.015979229	0.58870935	-0.5290664	0.40292	-0.14821051	-0.1505688	-0.79806805	0.5059553	-0.32757843	-0.17286943	-0.999929	-0.012730157	-0.2704895	-0.21472451	-0.4176734	-0.50349087	0.6495478	0.28618157	-0.40712917	-0.7237285	0.24817225	-0.020460295	0.53098756	0.52032596	-0.107488655	-0.32006338	0.34270886	-0.92906284	-0.041728754	0.019326225	-0.10408932	-0.12250087	0.7389178	0.037980076	-0.33823767	0.7832653	0.034007836	0.23108432	-0.05101165	0.03345716	0.7203864	0.950176	-0.99257946	0.29292387	-0.22349578	0.08379981	-0.20629679	-0.21317096	-0.35656276	0.9982036	-0.16100033	0.10450747	0.32756522	0.234247	0.20077452	0.3897916	0.17811549	-0.050846778	-0.18391155	-0.54079926	-0.110057905	-0.121997595	0.3034487	-0.39261624	-0.6896522	0.88759583	0.077819966	1	-0.25782374	0.6035075	0.1623488	-0.7266101	-0.834769	-0.14997743	0.8281668	-0.073379315	0.43164423	-0.7623366	0.71045035	-0.75174373	-0.44193134	0.024053002	-0.16053797	-0.13657832	-0.000479062	0.11678823	-0.4211866	-0.88263905	0.6251879	0.69763815	-0.25624847	0.826225	0.23035283	-0.61802685	0.06562043	-0.45865765	-0.07077641	0.010088915	-0.36127844	0.30083224	-0.43122667	-0.26885074	-0.7002154	-0.33452743	-0.31356382	-0.48980427	0.32563648	-0.430703	0.99999976	-0.0829316	-0.669459	-0.39861894	0.9984462	0.54639006	0.39761782	-0.999865	0.20602985	-0.46243882	-0.758678	-0.02680924	-0.64422953	-0.3381032	0.10514752	0.91197836	0.32958207	-0.5588365	-0.37461108	-0.6056512	0.100755714	-0.0399259	-0.9997079	-1	-0.9909175	-0.47071388	-0.18819305	-0.33351696	0.3274264	0.37961796	0.24312507	0.051681295	0.10373803	0.15049683	0.053029045	0.04544175	0.5653551	0.5926755	0.12942901	-0.6635815	-0.4690994	-0.9891907	-0.9996747	-0.4380911	0.11180834	0.50500023	-0.11263206	-0.13761625	-0.20749196	0.11520583	0.1777298	0.20584159	0.30949402	0.48843685	0.48542395	-0.87671506	-0.2859954	0.58103496	-0.18035042	-0.2454906	0.2622614	0.28461763	0.47240293	0.1278038	-0.14314033	0.92289	-0.38088197	0.54718363	0.3732648	0.34460407	-0.2598045	0.2764067	-0.020775586	-0.26377487	-0.26361677	0.26947898	0.58265036	-0.7509289	0.23789757	-0.5980831	-0.28512165	-0.33422408	0.036606174	0.9999705	0.3569203	0.002607883	0.10707535	-0.040208593	-0.091995254	-0.03376738	-0.15636614	-0.1298491	-0.27932888	-0.5752044	0.7737371	-0.44673178
299	0	COC(=O)CCCC(=O)OC	0.9574275	0.3313941	-0.79272145	-0.24771252	-0.33543026	0.20787278	-0.11418186	-0.18452337	-0.0883587	0.009857137	0.47513586	0.11601275	-0.15667538	-0.44028604	-0.12741084	0.5553739	0.58221495	-0.041330267	-0.08793243	-0.03690906	0.45679447	-0.81344885	-0.021787185	0.011283536	-0.5460805	-0.7554971	0.1616421	-0.2455993	-0.70431304	0.061266042	0.3527966	0.26898584	0.42805877	0.23228544	0.53042215	-0.8134154	0.2631741	0.64477783	-0.5200203	-0.33179873	-0.9943339	-0.25122193	-0.20904964	0.11390121	0.30441064	-0.9954694	0.53732526	0.42422777	0.99442375	0.38373196	0.15816623	0.017622344	-0.32101893	0.64654374	-0.83273274	-0.11433336	0.71219695	0.96848917	0.15022373	0.10741868	-0.2498928	-0.33913678	-0.14750181	0.22545728	0.38987583	0.038144577	0.42773125	-0.5444498	0.12297787	-0.08912873	0.7729926	-0.99981105	0.0721139	0.851692	-0.37701377	0.8165798	-0.68427885	-0.17003177	0.18155326	-0.99999106	0.36391994	-0.53105056	-0.23352022	-0.58172244	0.089744076	0.9568236	0.13535392	-0.022556473	-0.10380152	-0.64721686	0.26227796	0.114770524	0.45231083	-0.074284546	0.9930988	-0.18580098	-0.49464992	-0.2920649	0.19912033	-0.3631842	0.05613489	-0.34946552	-0.009425602	-0.4303626	0.96629894	-0.880178	0.7383289	-0.24132922	0.9825152	0.8222491	-0.22551787	-0.04258081	0.15548529	-0.05031295	-0.2982219	0.11690112	0.14609392	-0.1838481	0.998881	0.42045367	0.2570749	0.086645916	-0.5297993	-0.25012866	-0.3680624	-0.017576592	-0.63259596	0.36486366	0.21515973	0.96085215	0.19623037	0.3848754	0.31093448	0.012288602	-0.5211344	-0.90203685	-0.2711328	-0.37699166	-0.52254754	-0.20162785	0.99966776	-0.5684173	0.8627651	0.08843289	-0.36637247	-0.48541817	0.49583727	-0.076669164	0.9947838	0.59968805	0.26418895	-0.7205007	-0.3676682	-0.14269426	-0.36780033	0.114328235	0.12574443	0.99907887	-0.44049698	-0.9039544	-0.9919964	0.13851877	0.43378922	-0.035680715	-0.3946524	-0.025628118	-0.59081966	0.08516679	-0.22555345	-0.39645252	-0.35589898	0.6787451	-0.004184393	-0.14616224	0.77552944	-0.9672715	-0.5778126	-0.19484487	-0.62303644	-0.15248482	-0.42757735	-0.9960774	0.38711816	0.062847294	-0.8619841	-0.09710827	-0.33644402	0.32187366	0.16584095	0.32613954	-0.06427491	0.020594317	0.518196	0.16913871	-0.17716844	0.21300761	-0.114784144	-0.95728296	-0.050934803	-0.6389982	-0.18453366	-0.5816131	-0.37982264	0.17128238	0.12731236	-0.062668584	0.19403766	0.11309649	-0.022876889	-0.91963166	-0.6226671	0.2670856	-0.18668674	-0.40205455	-0.23237334	0.44923627	-0.4561527	0.31632054	0.42845035	0.34933054	-0.8086479	0.09623323	0.5416686	-0.25350833	-0.9180073	0.16063297	-0.2577093	0.070139155	-0.20347415	-0.07612419	-0.39008436	-0.12141993	0.33025578	0.14474364	-0.28154913	-0.2952203	-0.4323508	-0.4377744	-0.11031503	0.16001861	0.8449249	-0.118889995	-0.12533338	0.05323831	-0.63995546	0.51839155	-0.20721035	0.4518246	0.33559707	-0.002881994	0.10615251	-0.99980646	-0.07611933	0.26218563	-0.549651	0.26099026	-0.562436	0.3139632	0.026800709	-0.4671938	-0.20676443	-0.080280215	0.58855474	-0.32027566	-0.31633845	0.6345716	0.06723904	0.6946635	0.71228695	-0.13155372	0.044432037	-0.7425567	-0.21396662	-0.11378509	-0.12363075	-0.8552723	-0.06383355	0.000254355	0.30562583	0.7876875	-0.53275806	0.9990895	-0.44875288	0.029525882	-0.090683796	0.05145383	-0.5390892	-0.2530578	0.7868799	-0.07921148	-0.50281	0.99951714	0.43400744	0.6379048	0.5321792	0.5749359	-0.99747837	0.26916292	0.26320624	-0.2637076	-0.045191772	0.24822862	-0.08329271	0.49269703	-0.4225122	-0.10176346	0.9970591	-0.12622066	-0.027864391	0.5536454	-0.3826099	0.2642505	0.02791451	-0.1667835	-0.81301457	0.45378178	-0.5338846	-0.11308973	-0.9999404	-0.0066403	-0.40463045	-0.21883889	-0.4840467	-0.5147339	0.6125974	0.20367205	-0.31380025	-0.72886366	0.1594559	-0.12686166	0.32877457	0.3035708	-0.29927096	-0.07349322	0.37084788	-0.9575135	-0.24217954	0.14532542	-0.23972808	-0.13464475	0.6464923	-0.07959533	-0.18490537	0.771221	0.0465426	0.18896309	0.13855958	-0.058129255	0.47636	0.9577776	-0.99202234	0.27458978	-0.31689125	0.19940709	-0.14437959	-0.4857203	-0.17622404	0.99604666	-0.10619685	0.0000860	0.25554487	0.2567838	0.19055744	0.40511966	0.2105951	-0.060639415	-0.043046545	-0.41141167	-0.11188017	-0.005225939	0.23951726	-0.42208114	-0.58558154	0.9232384	0.34698233	1	-0.32057077	0.63651603	-0.029899579	-0.734273	-0.86809546	-0.016718	0.80529654	-0.32226577	0.46693566	-0.7066524	0.6397077	-0.5035164	-0.44735387	0.08162393	-0.054686617	-0.1608046	-0.080878295	0.018832158	-0.42353022	-0.77811384	0.69149226	0.7491733	-0.061616916	0.88749224	0.19285236	-0.5317877	0.25145692	-0.4288938	0.05174994	0.15844443	-0.32170346	0.40642452	-0.6753725	-0.38550347	-0.6906119	-0.42814994	-0.2599794	-0.40817183	0.20558968	-0.22092976	0.9999998	-0.16835056	-0.702635	-0.59469956	0.99764884	0.580228	0.25877497	-0.9998643	0.08915435	-0.3396746	-0.6446591	-0.20530024	-0.5722468	-0.42481208	0.07958372	0.9587868	0.35191378	-0.54447144	-0.28318673	-0.44740385	0.29263383	-0.112450525	-0.9997033	-1	-0.99404985	-0.3976516	-0.037531912	-0.30981073	0.31625083	0.41582406	-0.17821865	-0.13410574	0.083416246	0.1614198	0.026687251	0.23667456	0.6399961	0.24434458	0.12759466	-0.46511197	-0.60425717	-0.99320376	-0.9996907	-0.27262494	0.30714008	0.4505086	0.006832527	-0.34458223	-0.08145426	0.1080018	0.25852194	0.33876678	0.0560223	0.3875774	0.24420129	-0.87643766	-0.15926205	0.83930296	-0.20362863	-0.18663369	0.20673707	0.1866819	0.36805758	0.14684331	-0.30662626	0.93914753	-0.2672901	0.45548323	0.3851426	0.1199388	-0.2696895	0.18941216	-0.1435194	-0.16738237	-0.19556771	0.29122555	0.63136476	-0.8892826	0.10318126	-0.49831274	-0.102118425	-0.18415035	0.27275515	0.9999391	0.022033792	0.01623422	0.33907577	-0.07997889	-0.11527022	-0.14261535	0.32063782	0.055745114	-0.37227637	-0.62412405	0.8171765	-0.4606408
300	1	CCCCCOC(=O)c1ccccc1C(=O)OCCCCC	0.984048	0.14213748	-0.12560743	0.34343106	0.055681054	0.12641086	-0.15001182	-0.6583022	0.19112514	-0.32971442	-0.6768606	-0.30506513	0.16977373	0.098751076	-0.7061348	-0.058032416	0.568259	-0.10809701	-0.08638156	0.36760646	0.32589236	-0.31157517	-0.060848355	0.51015025	-0.28915912	0.32520688	0.09998134	-0.42614973	-0.13294287	0.19644551	0.60668063	-0.34098953	0.25112197	-0.13763209	0.76071507	-0.35340738	-0.12588	0.4414434	0.99725187	-0.09154227	-0.93760365	-0.6790958	0.08701111	-0.044239767	-0.12795354	-0.7018804	-0.350343	-0.029714685	0.9994835	0.34033293	0.26604885	-0.02771693	0.1868771	-0.13627745	-0.3959345	-0.27449512	0.842996	0.36298433	0.6293998	0.29265222	0.14534931	0.57159114	0.1227488	-0.43882263	0.5528818	0.8622966	-0.15673703	-0.46669495	0.7810544	-0.35681215	0.7893547	-0.5976939	0.4977438	0.00231273	0.7039069	0.4395005	-0.62388	0.35210916	-0.41605175	-0.99992657	0.13638216	0.13938117	-0.80571073	0.12714879	0.14333098	-0.8505023	-0.39027095	0.46337172	-0.36344054	0.4413605	-0.017767886	-0.46521842	0.023772478	0.035104606	0.99870783	-0.4560494	0.306491	-0.018075546	-0.29048598	0.23217188	-0.08677545	0.1300602	-0.28133124	0.6653198	-0.9637301	-0.82144886	0.5374663	-0.3800674	0.99783635	0.56042945	-0.2050015	-0.49865958	-0.38719085	-0.16343617	0.044931136	0.5391543	-0.35043377	-0.20234255	0.9900491	-0.17040443	0.73905534	-0.17550498	0.2552483	-0.25046322	-0.03761148	-0.06601225	-0.089691564	-0.45863098	-0.051016852	0.9998029	0.10461619	0.65916514	0.29945606	-0.19850373	-0.2360925	-0.9575301	0.20485893	-0.11206169	-0.40272608	-0.15583709	-0.98365337	0.3713015	0.8245986	-0.37911057	-0.22226231	0.35184866	0.23030446	-0.7809367	-0.70515734	0.04924457	-0.8341003	-0.95987326	0.4941134	0.31666002	-0.014306812	0.083471455	-0.449904	0.6918662	-0.82563883	-0.9645024	-0.84385616	-0.5771018	-0.4448574	0.48477072	-0.18800151	-0.017762976	-0.59289944	0.23331052	-0.25070307	0.54762876	0.40864176	0.053418573	0.6502347	-0.2982596	0.5446402	-0.96941894	-0.18650062	-0.11300286	-0.37787795	0.35102257	0.7540121	-0.9857519	0.5149045	-0.17539884	-0.49550128	-0.55293065	0.31358337	0.47563496	0.26807043	0.16318157	-0.63222754	-0.3926532	-0.061621524	0.4702035	0.35044393	-0.13171999	0.1491102	-0.91205186	0.6279609	0.7087182	0.2721935	-0.7075356	0.6397961	0.41250235	-0.32310134	-0.22139753	0.51757264	-0.2751628	0.03515225	-0.9999716	-0.52808034	-0.24603784	0.022951888	-0.4843091	-0.23386002	-0.18829396	-0.5470065	0.16046038	0.056988876	-0.12555356	0.505917	0.79957116	-0.23357925	-0.48820817	-0.99294937	0.102700144	0.27392533	-0.45836142	-0.10164891	-0.14464925	-0.5394565	0.6443404	0.3694068	-0.35474652	0.5581794	0.1951768	-0.45233923	-0.14138609	0.42955366	0.3724068	0.93903685	0.08729084	0.4539652	-0.47452694	-0.31757626	-0.73882526	-0.586546	0.26874003	-0.58956784	0.1124947	0.4348414	-0.9975717	-0.11017883	0.6521806	-0.026854213	-0.49363068	-0.48271978	0.401233	0.29894614	-0.48342806	-0.0566422	-0.32771763	0.5019158	-0.3662433	-0.5016724	0.83746266	-0.002234301	-0.7314527	0.79458433	-0.5555836	0.30469415	0.86762077	-0.57986784	-0.5822425	-0.23562479	-0.9008789	0.4496965	-0.25638875	-0.3333665	0.86260855	-0.10017831	0.9966571	-0.08736499	-0.3154344	-0.42815766	0.67383456	0.27844775	0.7428464	0.715103	-0.10585024	0.12051131	0.9705582	-0.24249339	0.8471497	0.6428173	0.25419098	0.98916733	-0.99111545	-0.38887015	0.013139478	-0.29914808	0.38596135	-0.21735595	0.64566314	-0.42925948	-0.89687586	-0.6820078	-0.050345823	0.36319008	0.63522077	-0.34862208	-0.46441114	0.32689965	0.054539546	-0.40652135	-0.2701536	-0.7514072	-0.57305706	-0.9999584	-0.35411087	-0.43192947	0.71306604	0.02526497	-0.9087628	0.40352187	-0.39030588	0.049239174	-0.877784	0.6177925	0.26901314	0.19720696	0.7190578	-0.008480554	-0.044191133	0.46051064	0.69198585	0.8221433	0.36776677	0.89675	-0.44634405	-0.19966957	0.5721494	-0.3953542	0.7656747	0.493469	-0.42659542	-0.1899713	0.6463316	-0.51585567	-0.48611578	-0.96527433	0.7293078	0.20905991	-0.39232522	0.796362	-0.28686005	0.26023772	0.9996403	0.28297007	0.074036516	0.14768867	-0.10826839	0.62515783	-0.27607226	-0.6972728	0.027907394	-0.794706	-0.5283725	0.09313123	0.07949399	-0.5968657	-0.06682554	-0.36445016	0.46765828	-0.17226985	1	-0.38276437	0.4682348	-0.17930259	0.22417296	-0.27577856	-0.17747144	-0.2273831	-0.29650357	0.6053531	-0.28690368	0.024573082	-0.08097987	-0.058882277	0.56385505	0.43472427	0.06659474	-0.24146456	-0.454093	0.05568925	-0.9615604	-0.19554904	-0.6097269	-0.3428321	0.13213897	0.4224232	0.1088423	0.12893559	-0.077175416	-0.047191277	-0.65144044	0.5022131	0.38860658	0.27079493	-0.3101394	-0.6591478	0.2351016	-0.24996415	-0.2513856	0.33701584	-0.7422452	0.99999994	-0.53995144	-0.9787439	-0.13641533	0.99842745	-0.7303969	-0.14500089	-0.9999418	-0.4572771	-0.9336618	0.35620546	-0.11442643	0.70356905	0.4256187	0.36646947	-0.73527825	0.49010423	0.38111907	-0.22710133	0.041853935	0.1558344	-0.78846836	-0.99980956	-0.9973148	-0.7791064	0.63280684	0.4209439	-0.24128252	0.32296318	-0.3533883	0.60452986	-0.52301806	-0.35153997	0.6374673	-0.73661226	-0.2559819	0.04646384	-0.18859124	0.6878446	-0.22607616	-0.3430575	-0.014119752	-0.99944925	-0.09565716	-0.42993864	0.42884493	-0.12601787	0.26334372	-0.84769887	0.72428215	0.14745954	-0.12389704	-0.16662186	0.6205754	0.1595318	0.9154203	0.2887918	-0.92619145	0.6382151	-0.04006815	-0.37763497	0.06739541	0.27859643	0.43626857	-0.79381907	0.112134375	-0.99165577	0.3777963	-0.18785854	-0.14361389	-0.27828923	-0.15604559	-0.111289345	0.05683295	-0.31847832	0.58046395	0.07080669	0.98989916	-0.45186323	-0.37990427	0.030569075	0.6194273	-0.47557998	0.99994683	0.5059447	-0.76813096	-0.26996648	0.19687219	0.34425107	-0.4139537	-0.9950561	-0.3166145	0.21675755	-0.54195625	-0.011418881	0.17594473
301	1	CN(C)CCOC(c1ccccc1)c1ccccc1	-0.337578	0.51641774	0.43100142	0.53526574	0.34432724	-0.5956952	-0.49066055	-0.44705847	0.0999638	-0.5538486	-0.6173679	-0.03684533	0.28101286	-0.7023152	-0.3637728	0.8232343	0.5137623	0.4198199	-0.25963026	0.51861304	-0.38913175	-0.6884423	0.3546946	-0.4836745	0.11932845	0.34569144	-0.100748956	-0.005865829	0.43458238	0.125058	0.59976864	-0.3502166	-0.37629214	0.40577102	-0.48415795	0.22313255	-0.34448943	0.8138854	0.9760494	-0.8830918	-0.98347	-0.46571445	0.33227578	-0.45659438	-0.36123952	-0.95420927	-0.532254	0.29925963	0.9700268	-0.089327484	0.2105069	-0.5143782	0.11922128	-0.24855882	-0.85994714	0.22670314	0.09172358	0.7310149	-0.23087955	0.31840068	0.33364603	-0.33250615	0.59538656	-0.35301867	-0.037834007	0.05539189	0.447998	0.11531929	-0.13044637	0.08120776	0.49767005	-0.93808633	0.44102487	0.31388745	0.8126393	-0.4795463	-0.47946078	-0.33658564	-0.25069785	-0.9969254	0.34256566	0.06785043	-0.8519563	-0.6148462	0.012163875	-0.67033935	-0.25108105	-0.5833659	-0.3918847	0.48448053	0.47285652	-0.544373	0.21298017	-0.14178085	0.9141369	-0.19686858	0.7048957	0.13698314	-0.23523986	-0.59898347	-0.011095829	-0.11657477	-0.28951582	0.8927389	-0.6910822	0.020492738	0.6117957	0.32263777	0.9914867	-0.2988327	0.6112482	0.37000617	0.23155954	-0.300037	-0.03420356	0.62802655	0.48214033	0.40360805	0.99697524	0.5093737	0.20024154	-0.71549815	0.5842971	0.14972854	0.20174322	0.38732475	-0.36354792	0.357145	-0.44245097	0.9996804	0.019777382	-0.2004972	-0.1535021	-0.10306541	0.30756715	-0.9596118	0.06108265	0.6317747	-0.52844167	-0.30915567	-0.9997571	0.18461423	0.9897518	0.15092354	0.44720927	0.55145293	0.06174159	-0.37834486	0.5666459	-0.5520262	-0.062972136	-0.7383146	0.06753474	0.47829112	-0.376211	-0.41631806	0.6907212	0.9635997	-0.19847178	-0.86532164	-0.9592075	0.52391225	-0.09891088	0.32811219	0.56033725	-0.23751678	-0.01895271	0.7961693	-0.36247092	-0.10777041	-0.19699277	-0.15010174	-0.07326054	0.40040043	-0.46195322	-0.9637411	-0.5316955	0.4851645	-0.33872202	-0.27606964	0.2564857	0.539218	0.19402848	-0.25538954	-0.41702813	-0.5529783	0.43442276	0.1577866	0.20928891	0.3249922	-0.060223706	-0.4477286	-0.19927353	0.6386119	0.10652	0.21150161	-0.14737557	-0.8793759	0.91019446	-0.14202525	-0.14291142	-0.28708708	-0.49989215	0.22845595	0.35303304	-0.41147125	0.5371391	-0.56129616	0.012443578	-0.99939907	0.4377981	0.29552853	0.3377168	0.55275834	0.55064654	0.25317392	-0.39768264	-0.14192453	0.15882586	0.4070094	-0.22791588	0.23737499	-0.6332767	-0.69728833	-0.9300044	0.4666757	-0.108993985	-0.2807238	0.105263084	-0.2201847	0.27975264	0.2694008	0.6341867	0.51727957	0.74534655	0.39760923	-0.17563993	0.12638184	0.33945188	0.34991863	0.83381134	-0.6374365	-0.1347316	-0.24637242	0.61400986	-0.33699223	-0.47027984	-0.14323851	0.46053898	0.09653195	-0.3733684	-0.96838844	-0.3228077	-0.022192731	0.78183436	0.35012287	-0.25447047	0.44260618	0.44271967	-0.54828984	0.36908308	-0.7781468	-0.53794193	-0.12503292	-0.51694435	0.27382824	-0.21201329	0.004008733	0.2572884	0.42222926	-0.18555294	0.5726071	-0.19101833	-0.29016033	-0.29830915	-0.29441214	-0.15501697	-0.33655357	-0.5769107	0.3329498	-0.5585239	0.999394	0.13402824	-0.5279405	-0.3741993	0.10052263	-0.115327194	0.8568992	0.97456366	-0.76349807	-0.03373745	0.99580336	0.3361074	0.67647326	0.34859288	-0.7747105	0.9998623	-0.9907315	0.17224288	0.005797958	-0.70608336	-0.30621395	0.33388594	-0.4104526	-0.10644065	-0.8027673	0.36630264	-0.58683187	0.79211146	-0.43310976	-0.5163568	-0.03834908	0.10384471	-0.18481793	0.90373355	-0.5308721	0.3439581	0.016512332	-0.9999516	0.31482506	-0.5826679	0.3727243	-0.24150403	-0.40791848	-0.37124878	0.21464725	-0.04780704	-0.82164615	0.62266856	0.4886793	-0.18266441	0.1168457	0.49086958	0.20731324	0.07469062	0.55051523	-0.61831206	0.6163205	-0.2067553	0.5906968	0.051351663	0.29797003	0.24077325	0.78843075	0.5616086	-0.27035943	-0.079228126	0.038209207	0.21819317	0.3485431	-0.99228793	0.76728535	0.13692361	0.8455823	0.55196637	-0.49521768	0.37660185	0.99961805	-0.06897619	-0.12534536	-0.15763654	-0.40500408	-0.3017786	-0.07473769	-0.84965104	-0.058118723	0.07583389	-0.7389521	-0.16544317	-0.033256475	-0.09999375	0.04147009	-0.17920977	0.7209614	-0.05300386	0.99812907	-0.17439705	-0.21331714	0.002720018	-0.027504258	-0.47198778	0.4352894	-0.027944531	-0.16673985	0.15661986	0.31446642	-0.15889417	0.6340019	0.25890565	0.07131488	-0.012256583	-0.09559207	0.12639587	-0.1485571	0.050534796	-0.5450915	-0.14749536	-0.46144062	0.2017211	-0.55120254	-0.9147096	0.10745017	-0.18763609	0.3207294	0.18701804	-0.25525805	-0.4145036	-0.8276646	0.3258285	0.37329403	0.030387405	-0.21024849	0.10159233	0.004595381	-0.36806747	-0.01277737	0.99999976	0.17517193	-0.969154	0.33363783	0.99947816	-0.5956929	-0.19802561	-0.99993914	0.28336397	-0.6765913	-0.13052408	-0.22393398	-0.31054044	0.2846631	-0.3056296	0.12548333	-0.783764	-0.10386884	-0.39030206	-0.29483235	0.43904167	-0.16193365	-0.99996877	0.96946675	-0.8886851	-0.01690211	-0.29341295	-0.28378704	-0.1210615	-0.71593034	-0.04993826	0.094894834	0.2294235	0.5778644	-0.77531826	-0.16681303	0.43576676	-0.12573142	-0.512013	0.33049604	-0.31097037	-0.50614494	-0.99988824	0.32515386	0.29639885	-0.56630653	0.06306427	0.69594055	-0.99439156	-0.5663676	-0.13574676	-0.27287763	-0.25334123	-0.6078466	0.74461156	0.94084173	0.542337	0.8124797	0.65223736	0.40965065	-0.20643535	-0.7694699	-0.33620527	0.6310834	0.5152903	-0.4887905	-0.69015807	0.26838887	0.5743163	-0.6808848	-0.060802348	-0.29921767	0.22824855	0.49050298	-0.19925617	0.09704924	-0.53215027	0.89571613	0.5108564	-0.09330751	0.21677811	-0.23473233	-0.03403984	0.9993199	0.47222915	-0.49930426	-0.29780823	-0.090213604	-0.36197406	0.41590497	-0.9132721	0.23745452	0.4467798	0.10160797	0.5130955	0.16261484
302	0	O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1	0.959303	-0.36782566	-0.55862606	0.29997918	0.2277725	-0.6580929	-0.63609105	-0.20895228	0.65858763	-0.18006615	0.056261428	-0.5121348	-0.34910426	-0.621849	-0.36391914	0.67274034	-0.0996273	0.7415636	-0.05959586	0.04435233	0.43198332	-0.5854324	0.21008858	-0.17422566	-0.55097437	0.82418656	-0.09482393	0.3236809	-0.11280246	0.51979303	0.4510391	-0.46510774	-0.40308037	-0.53473324	0.6086708	-0.48470592	-0.28539324	0.56877846	0.99810755	-0.52747875	-0.95136464	-0.1464564	0.22297569	0.08590718	-0.13147736	-0.40173453	-0.4171511	0.023057241	0.99822116	-0.32321325	0.45465815	0.10727586	0.42726997	-0.04070623	-0.3823859	-0.27646428	-0.41458336	-0.13757621	0.17266835	0.5044227	-0.040407687	-0.60920686	0.48974833	-0.42522165	0.2430979	0.28856614	0.07495674	0.023975786	0.07451411	0.15512398	0.8419124	-0.8079042	0.27282995	-0.6001308	0.630297	-0.02440651	-0.7322615	0.06353835	0.17925456	-0.9994439	0.08768025	-0.13141224	-0.658376	-0.46478742	-0.34904075	-0.8885755	-0.5346559	-0.31956777	-0.70088935	0.2048289	-0.2468913	0.3147186	-0.2982509	0.11948574	0.995062	-0.36393955	0.19299424	-0.16491781	-0.19880018	-0.13891686	0.01701303	0.33303303	-0.024852479	0.9883199	-0.98835915	-0.84562784	0.33814892	0.18953386	0.99577284	0.1328674	-0.4210162	-0.45884717	-0.13674296	-0.1362612	-0.36753184	0.56623924	-0.1612782	-0.060725026	0.9870686	-0.32761773	0.6529829	-0.097712286	-0.47190225	0.59589094	-0.3185255	-0.7667523	-0.4596065	-0.30665755	-0.16222914	0.9996547	-0.3703034	0.41181907	0.49288294	0.33556885	-0.29324853	-0.94033736	0.5003923	0.2891658	-0.38318634	-0.21900994	-0.99999356	-0.33513817	0.7397982	-0.010100043	0.21424758	0.20302762	0.4673293	0.22662455	-0.9302773	-0.35911864	-0.3375809	-0.9033142	0.14847462	0.24234547	-0.19523008	0.3523753	-0.33523723	0.21082659	-0.5000947	-0.9589426	-0.7804199	0.06700687	-0.535455	0.61725104	-0.2299005	0.1218163	-0.68834716	0.44121352	-0.37170073	0.33427843	0.07038752	-0.37434936	0.82349616	-0.119895674	0.26419058	-0.9714326	-0.6693465	0.11611279	-0.5488891	-0.000668142	0.64004356	-0.95375454	-0.43843177	-0.19489588	-0.20017062	-0.49751654	0.24931663	0.19292068	0.3646049	0.07725846	-0.16083561	-0.5176621	0.37425533	-0.24912943	-0.22236572	-0.38616797	0.059958264	-0.81152576	0.5955692	0.09314236	0.6180729	-0.21574995	0.047511443	0.46454436	0.32938227	-0.44002086	0.6186316	-0.3691519	0.17124617	-0.99990326	-0.22327259	-0.15132195	-0.17797565	-0.2887077	0.09658207	0.49650562	-0.53643036	-0.047731195	0.52886385	0.049725864	-0.021391723	0.14668956	-0.29034728	-0.48795116	-0.9932075	-0.09439483	0.22662097	-0.5597872	0.44949514	0.45785946	-0.37159455	0.7455607	0.23022225	-0.06915156	0.40312144	-0.11030855	-0.5808882	0.41862506	-0.760867	0.055249054	0.92236984	0.37462404	-0.024564918	-0.5119971	0.67781824	-0.5816276	0.030836308	0.3691315	0.18503754	-0.15967406	0.42501467	-0.7199229	-0.28985307	0.7478014	0.4486215	0.30456045	-0.48678437	0.8183656	0.17133772	-0.32411772	0.43492654	0.3789758	0.007483942	-0.3462249	0.14989926	0.7216443	0.4434113	0.14503616	0.77902913	-0.023937743	-0.2067223	0.73878634	-0.14058766	-0.12532645	0.44016725	0.7346714	0.50551933	0.041847564	-0.43832183	0.6649419	0.05318353	0.9978847	0.096052125	0.23407397	-0.55221933	0.39851996	-0.11966102	0.68095094	0.76353246	-0.7432348	0.47790727	0.9350041	-0.17440829	-0.5626343	-0.2518643	0.5914499	0.9999989	-0.9843088	-0.08627902	-0.3097003	-0.2878405	0.088246845	-0.586491	0.121134974	-0.5307663	-0.8089631	-0.9163904	-0.24985848	0.9093401	0.34100428	-0.34494522	-0.25917286	0.3020209	-0.45509395	0.087754786	-0.34965298	-0.69398695	-0.5890203	-0.9999631	0.13487522	-0.41954407	0.30873975	0.5382417	-0.62726885	0.10714632	-0.2478753	0.1385323	-0.88778746	0.061244983	-0.030430486	-0.3159408	0.19151738	-0.51050013	-0.6070081	0.22619976	0.6132749	0.26108298	0.14676844	-0.07823597	-0.3552952	0.30285552	0.30583948	-0.352701	0.807016	-0.18869692	-0.51315	0.25673348	0.3728972	-0.70282805	-0.8104982	-0.9500149	0.3726414	-0.43221876	-0.07224339	-0.036559526	-0.42080528	0.20191391	0.99962765	0.7586897	0.07727665	0.045157656	-0.087171055	0.7132921	-0.30077612	-0.8548729	-0.5355466	-0.8122741	-0.5965013	0.18026699	0.34712693	-0.6426986	-0.12916766	0.1149052	0.5329584	-0.22165005	-0.9918853	-0.17808905	-0.13588329	-0.32571405	-0.6146253	-0.436102	-0.558895	-0.08685373	-0.8027277	0.04711196	-0.6126075	0.3829222	-0.06545437	0.26234207	0.5913738	0.18016294	0.31970355	-0.53668475	0.20665954	-0.16418912	-0.2699488	-0.11593378	0.26225483	-0.4829891	-0.17031175	0.5525776	0.5021522	0.21957111	0.10703412	-0.6855441	-0.57051694	-0.1324921	0.076962516	-0.1615935	-0.14389533	-0.123888396	0.002504898	-0.4193195	-0.3243889	-0.21579133	-0.18261574	0.99999994	-0.11142481	-0.9637307	-0.100645006	0.9989473	-0.7037675	0.44595847	-0.999909	-0.21505289	-0.9129892	0.40670463	0.41059935	-0.098102994	0.33173043	-0.047574636	-0.14546688	0.4169174	0.1157016	-0.1708208	-0.2240138	0.39658013	-0.594891	-0.999982	0.99999934	-0.389058	-0.06984879	0.07226539	0.17198072	-0.094339974	-0.54525054	-0.37366676	-0.1664364	-0.5510571	-0.16764958	-0.9218163	-0.4692279	0.31710482	0.04872686	0.49842748	0.08278198	-0.6717987	0.48990795	-0.99984795	0.15746367	-0.23671941	-0.14695401	-0.64079094	-0.25308308	-0.87180215	0.6585592	0.58610237	0.3365849	-0.36942634	0.4066912	-0.38412288	0.97974473	0.5127097	0.078406975	0.09766621	0.22494872	0.40966251	0.17457923	0.17675866	0.21937653	-0.14811637	-0.23975123	-0.94824195	0.034846183	0.46334216	-0.49677372	-0.5808048	0.43981642	0.12556213	0.60090894	0.057343848	-0.05807614	-0.03365475	0.99657726	0.007744068	-0.43539312	-0.41021985	0.06945825	-0.16569762	0.9998713	0.7448936	-0.06224274	-0.102030225	-0.5055659	0.07149051	0.03548634	-0.98621935	0.03346376	0.46642348	-0.67484	-0.031104175	0.331448
303	0	c1ccc(Nc2ccccc2)cc1	-0.68263966	0.19122863	-0.29782495	0.66963017	-0.23172499	-0.3254975	-0.84775937	0.36732084	0.03868701	0.07717121	-0.7347498	-0.2483704	-0.061491445	-0.49502164	-0.08642977	0.61389786	-0.1565917	0.17134841	-0.005184177	-0.14962724	0.42415106	-0.8688869	0.20186459	0.3390068	0.4883644	0.6014806	-0.23710328	0.38002917	0.6039378	0.14469656	-0.245588	0.3429113	-0.6521295	0.57069594	-0.27776077	0.17746228	-0.4960736	0.7821368	0.04708945	-0.9801201	-0.9967776	-0.3086337	-0.20128247	-0.45707878	0.07212626	-0.99520385	-0.27491906	-0.2611475	0.9858836	-0.4630278	0.11646282	0.14671503	0.14750071	-0.2674753	-0.94966304	0.33116126	-0.60144377	0.9562772	0.26237497	0.068605654	-0.17642541	-0.2154309	0.6327122	-0.21072961	-0.033480696	0.043452244	0.010582246	0.5276916	-0.29748574	0.7398515	0.9262611	-0.8568584	0.3892405	-0.48358968	0.8203153	-0.41836065	-0.18128656	0.06648701	0.05134766	-0.974616	-0.7654574	0.36479378	-0.6457642	0.09426537	0.30278283	-0.691144	-0.12118281	-0.039997518	-0.19793981	-0.1275875	0.2586789	-0.2115065	0.17304607	0.036036294	-0.38611886	0.10728366	0.46667576	-0.10683783	0.27146035	-0.2444601	-0.28582996	-0.48038447	0.25648022	0.85747766	0.88540757	0.41573903	-0.18884563	0.7024314	-0.6122441	-0.13152178	-0.49259043	-0.13852894	0.5790495	-0.027750717	-0.55195457	0.5516723	0.28592965	0.35856894	0.9987224	0.082555026	0.045011375	0.10343668	-0.064912714	-0.08939761	-0.5534182	0.31723967	0.2530665	-0.5066535	-0.109692834	0.9998974	0.027588416	0.016037116	0.4368958	-0.49635318	0.24002156	-0.8081617	0.48072192	0.81627756	-0.49341238	0.7043822	-0.99966437	0.017110301	0.99649024	-0.47393972	0.61990994	-0.08059442	-0.38279557	-0.14296675	0.9899028	0.10198147	-0.29522043	0.4134525	0.29639152	-0.08966684	0.0502251	0.38252115	-0.035223104	0.99852073	0.15672354	0.35390475	-0.9919992	-0.3128297	-0.30897155	0.33317336	0.47072542	0.07005822	0.2853401	-0.001200012	0.14477679	-0.10862694	-0.52590436	-0.48829377	0.3271854	-0.1907129	-0.16356635	-0.97531796	-0.6709167	0.2257566	-0.41930234	-0.71339375	0.407806	0.8145384	-0.17220676	0.58047974	-0.96102166	-0.5886701	0.6679052	-0.01745331	-0.09914614	0.15976799	0.49680763	0.031733155	0.41801634	0.23290844	0.2385186	-0.35286087	0.1739062	-0.78873295	0.6598553	-0.45558715	0.18913612	-0.53683347	-0.81157124	0.23324965	0.47718439	-0.049318124	-0.24505341	-0.553836	0.29978862	-0.93791616	-0.26537108	0.15488158	0.08491349	-0.26144367	0.24236509	-0.25662884	-0.35414162	-0.039052404	0.001851055	0.6804933	-0.25590825	0.2167659	-0.6528445	0.09196655	-0.992825	0.55100137	-0.1374179	0.27691102	0.47567528	0.1258436	-0.13345613	-0.18804228	0.65848434	-0.46699405	0.11494053	-0.17828076	-0.63023067	0.4478924	0.19136319	0.08585164	0.87715906	-0.33280078	-0.33297095	-0.5336456	0.6085852	-0.26894316	0.11939219	-0.03467375	0.12496253	-0.13273658	-0.50615644	-0.95865357	-0.06804343	0.7293709	0.56406707	0.265693	-0.37457845	0.7645621	0.5443129	-0.4611302	-0.20951651	0.6158874	0.4000757	-0.49028906	0.37572807	0.10924848	0.09945718	-0.39041862	-0.6118269	0.694091	-0.37541807	-0.9102893	-0.16065258	0.16189942	-0.09163423	0.85401475	0.29359055	0.30293998	-0.42444098	0.35555065	-0.3460936	0.9997476	0.48470956	0.7497785	0.09097949	0.256434	-0.35882688	-0.17843154	0.47191238	0.21129231	0.40022427	0.9994505	0.2759308	-0.027588187	0.18393666	0.49630198	0.99982464	-0.99128	0.39357603	-0.2265432	-0.5360008	0.13613921	-0.30104056	-0.3297711	0.37883618	-0.76804656	0.9938575	0.51994777	0.5431006	-0.35532537	-0.41305098	0.28898555	0.47794303	0.26394877	0.9672998	-0.5247113	0.2064493	-0.015613575	-0.9856924	-0.08739061	-0.058247022	0.44252038	0.38084966	-0.5716091	-0.70733446	-0.42454898	0.52579963	-0.9297042	0.27336282	0.047771722	0.29714072	-0.24249186	0.07525007	0.15322492	0.334757	0.7729851	-0.3589526	0.3952525	-0.40101448	0.17949948	0.109632246	0.48508146	-0.27777407	0.7760163	0.4664704	0.17830576	-0.038440585	-0.06812149	-0.6136955	0.8724261	-0.9977263	0.06811011	-0.6602912	0.10467888	0.19499819	0.27386189	0.22916165	0.99731195	-0.36878434	-0.53777325	0.2376184	-0.48713446	0.6391109	-0.2991552	-0.89744407	-0.41179463	0.22476266	-0.78047717	-0.41894025	-0.13885345	-0.4538961	-0.16820695	0.23653321	0.9554218	0.23705123	0.99826217	0.030576333	-0.5261082	-0.5769704	-0.35539594	-0.8544211	-0.2793694	0.1679833	-0.6609953	-0.19758281	0.013698539	-0.000892971	0.19717823	0.06716523	0.6623192	-0.29330456	0.115618855	0.06792065	0.202299	-0.2093917	0.45268467	-0.389417	0.066262044	-0.05631811	-0.004515486	-0.9819328	-0.05897133	0.5653199	0.1478834	-0.28754297	-0.57719886	-0.15244505	-0.41343418	0.30511445	0.6373815	0.6588164	-0.048011515	-0.4475929	-0.23523983	0.31153795	-0.25947157	0.99997145	0.30095932	-0.98685557	-0.000371603	0.9994189	-0.3643924	-0.1774	-0.9987151	0.07062698	0.044482857	0.33585766	0.24252048	-0.34492308	-0.04412441	-0.13084173	-0.09573133	-0.3707945	-0.6629239	-0.26987585	0.11035706	0.5880809	-0.39603359	-0.99997777	0.98219174	-0.9817048	-0.019456722	0.15395136	-0.13606025	-0.3680319	-0.43137228	-0.60731846	0.49315292	0.34013638	-0.3438242	-0.87738276	-0.43126032	0.7256084	-0.30483142	0.42655903	0.33892438	-0.2521967	-0.9822665	-0.9999399	-0.36981493	-0.3416422	0.28168386	-0.28114906	-0.41839176	-0.9986428	-0.24462001	-0.1405214	-0.063690096	-0.2562056	-0.39875638	-0.31739852	0.9325973	0.2108147	0.6839227	-0.05198931	0.5036372	-0.018853918	-0.8976213	-0.4784765	0.013210943	-0.38920888	-0.4142803	-0.47338563	-0.71472865	0.2792579	-0.10269211	-0.46060148	-0.19825752	0.21392299	0.5192769	0.37096477	0.09298836	0.00341306	-0.7597836	-0.29563984	-0.24757025	-0.41962025	-0.58357656	0.2873448	0.99927473	0.5853603	0.32777748	-0.24728428	-0.41186428	0.302911	-0.35877633	0.45772818	0.23781016	0.039233357	-0.32878187	0.27840975	0.17903487
304	0	CCCOC(=O)c1ccc(C(=O)OCCC)nc1	0.9652398	-0.39527562	-0.04158833	0.06986123	0.048819646	-0.22564325	-0.25719547	-0.6072119	0.058871474	-0.08530013	-0.16209598	-0.45626405	-0.63839823	0.21911503	0.14981088	-0.099948026	0.35757735	0.28464678	0.28341842	-0.009300198	0.4404942	-0.05948944	-0.11129852	-0.2348634	-0.70040655	0.04881746	0.12767969	-0.35252693	-0.5976925	-0.009577765	-0.0373025	-0.1871321	-0.12250902	-0.37426314	0.63061327	-0.54507035	-0.42110068	0.1541982	0.96958536	-0.116082884	-0.97578126	0.30822778	-0.28836972	0.34898692	0.3024045	-0.9321161	0.1241557	-0.15130655	0.99769515	0.24230897	0.38492328	0.2206527	-0.005331672	0.20359208	-0.43231755	0.23549634	0.56262356	0.65004253	0.31443924	0.010805147	0.19915532	-0.20409237	-0.008589958	-0.56292665	0.27779365	0.8210575	-0.18216158	-0.5760141	0.19896317	-0.37834406	0.6618865	-0.9945685	0.7778967	-0.22721769	-0.25166038	0.29467243	-0.661532	0.18466899	0.13167568	-0.99993867	0.3334043	-0.10391682	-0.741609	-0.52780545	0.24739102	0.12730348	-0.1389579	0.44542554	-0.32017657	0.2369269	0.14185964	-0.662258	-0.07260411	0.30800405	0.99910665	-0.11948306	-0.5800687	-0.4856778	-0.15480101	0.39846975	-0.39086804	-0.24839154	-0.3809124	0.49021998	-0.6146878	-0.9694329	0.3368745	-0.64071614	0.99528503	0.7079396	0.13150722	-0.4272294	-0.5093	0.2913336	0.15918893	-0.07026955	-0.64707863	-0.2676325	0.9982221	0.13371664	0.5539365	0.112562336	-0.058880493	0.29371253	-0.08194092	-0.5809738	-0.6540694	-0.57192594	0.07501784	0.987953	-0.58376807	0.23537739	-0.13023339	0.2465399	-0.26338172	-0.95306355	-0.15090235	0.07286767	-0.44902697	-0.34076998	-0.99588394	0.12529762	0.6532913	-0.2722556	-0.66991884	-0.13170592	0.1219486	-0.06649302	0.46808386	0.17902738	0.19778356	-0.9505022	0.016043484	-0.24317989	0.020754276	0.27014226	-0.27407342	0.97278094	-0.45878875	-0.9703017	-0.96416277	-0.20895717	-0.39538664	0.53442824	-0.5164669	-0.006726944	-0.68046623	-0.25480056	-0.047405243	0.39334825	0.06277988	0.22600582	0.791677	-0.11622722	0.24233717	-0.8767779	-0.30787694	-0.65859824	-0.7587145	0.08113482	0.43570057	-0.99375904	0.5390592	0.09699778	-0.47223583	0.23428947	0.54649514	0.4209344	0.6192364	-0.12768589	0.11430603	0.30833054	-0.42323962	0.05273221	0.2987816	-0.34859264	0.068516076	-0.8743884	0.21220294	0.23969625	-0.17128108	-0.62927884	0.31419086	0.71548104	-0.2573815	-0.074237585	0.17434312	-0.18586652	0.29438317	-0.9994887	-0.4599	-0.5673971	0.18602104	-0.6556251	-0.42801103	0.40221778	-0.51882386	0.09351694	0.37212735	-0.2853891	-0.07983405	-0.08814467	0.4981301	-0.106336646	-0.99427634	-0.2706086	-0.029178381	0.003042931	0.17959951	0.3579528	-0.5435404	0.53291696	-0.47493294	0.000167124	-0.22186631	0.28167912	-0.19179875	-0.52262527	-0.011449428	0.67305505	0.84533703	-0.14086498	0.7718835	-0.4781947	-0.3481332	-0.3643972	-0.018668381	0.36178395	-0.38273856	0.28473097	0.34130672	-0.9982294	-0.27954432	0.7794055	0.113488756	0.006253388	-0.30063543	0.6678741	-0.24849059	-0.11598307	0.22300892	0.22861744	0.21691357	-0.14335331	0.033709597	0.67864984	-0.027325066	0.34460345	0.8159286	0.20057692	0.05339719	0.909041	-0.5232912	-0.6055527	-0.3525802	-0.8012239	0.46575585	0.0889243	-0.22357596	0.77934307	-0.24942029	0.9987858	0.08928249	-0.39715463	0.103505455	-0.17867357	0.3588802	0.123471424	0.89072573	-0.17064317	0.42092407	0.99676	-0.70451605	0.8469973	0.37285024	0.36637565	0.9964668	-0.762782	0.28389424	0.1846642	-0.17703044	0.5040101	-0.34354126	0.286067	-0.124180295	-0.511431	0.48492682	0.33831227	0.27973324	0.47007382	-0.24414326	0.21324988	-0.26700166	-0.012636044	-0.60167265	0.4750944	-0.7326885	-0.63002586	-0.9999847	-0.46287814	-0.3323841	0.18127197	0.3006226	-0.54210025	0.79022115	-0.09191737	0.13977751	-0.5065798	0.30008563	-0.12782806	0.02128642	0.45517468	-0.49305227	-0.4112302	0.44697335	-0.6278947	0.6325006	0.1370261	0.4980127	-0.3270214	0.40935954	0.39540917	-0.22730842	0.7468402	-0.32177526	-0.53609264	0.36210564	0.14422348	-0.384942	0.37391058	-0.9799735	0.6555828	0.004576296	-0.56961155	0.21399204	0.07506593	0.65988773	0.9990524	0.38516802	0.27616152	-0.03603247	0.07691924	0.35632434	-0.6830607	0.15670553	0.28725374	-0.39495152	-0.15839417	0.25826702	0.645148	-0.5828804	0.26162016	-0.4332727	0.33020663	0.6492559	1	0.28265646	0.6547387	0.6286678	-0.46542463	-0.3651609	-0.08029048	-0.44326007	0.058896977	0.6149722	0.3976091	0.70863384	0.25027794	-0.3807805	0.6990796	0.49113294	-0.054930788	0.26121768	-0.3110327	0.13080022	-0.75228745	-0.01697088	-0.19499025	0.24227163	0.55405086	0.7373859	0.1767323	0.23891044	-0.53304183	0.16562748	-0.74797875	0.19455495	0.6656269	-0.09019069	0.20875601	-0.5967753	-0.4454554	-0.5995203	-0.35808808	0.47771162	-0.6958096	0.9999998	-0.26117954	-0.95374805	0.20114306	0.9993301	-0.58958125	0.14131397	-0.99994105	-0.1722879	-0.9000119	0.41420326	-0.60397685	0.15476938	0.0996982	-0.31862783	0.66332674	0.66722566	0.66834176	-0.346475	0.3432433	0.081900135	-0.52983546	-0.9999212	-0.9967667	-0.95205253	0.67601985	-0.11492757	-0.08303498	0.75492954	0.26559648	-0.38010558	-0.53919065	-0.34850496	0.23133327	-0.40056875	0.33579174	0.05344882	-0.5986765	0.8702326	0.25150016	-0.4272696	-0.8331824	-0.9998366	0.383402	-0.6002586	0.32503447	0.3026731	0.008733325	-0.21566053	0.81621027	0.60451996	0.36625466	-0.46430752	0.48046646	-0.5887011	0.9575455	0.14149143	-0.3770542	0.33483237	0.12924987	-0.49390525	0.5660065	-0.002562323	-0.013936859	-0.3295296	0.7323271	-0.916988	-0.23601986	-0.15466039	-0.3258131	-0.19093013	0.29077998	0.26573497	0.4229197	-0.30401585	-0.22595169	0.1406067	0.8453046	0.4512627	-0.70908254	0.3981513	0.5867383	-0.14894466	0.99995536	0.32433125	-0.434497	-0.10419019	-0.40904123	-0.22112079	0.26913452	-0.96339667	-0.59584856	-0.537951	-0.65578455	-0.07712256	-0.34722236
305	0	CCOP(=S)(OCC)SCCSCC	0.9598125	0.1348341	-0.31810707	-0.05429966	0.66032636	0.5667936	-0.88855	0.13310714	-0.807823	0.5118728	-0.83893853	0.6732953	-0.5794572	-0.20140848	-0.050604343	-0.44458902	-0.73999316	0.18956329	0.40495285	-0.35656008	-0.060226656	0.03768658	-0.51855254	-0.0000249	-0.2807811	-0.3464481	-0.40185872	0.32626772	0.13064583	-0.27458608	0.2808403	-0.57514197	-0.09136529	-0.7191674	0.07890133	-0.6630917	-0.20348683	-0.3893883	0.81908566	-0.91069424	-0.98381495	-0.52989787	0.30290633	0.50283897	-0.6762515	-0.9782992	0.13220362	0.33471692	0.98425794	0.28971013	0.5266251	-0.57153034	0.35519156	0.092944086	-0.7577592	0.20019092	0.5858584	0.8690808	0.40559405	-0.062793285	0.19823247	0.6202339	0.15656511	0.042227708	-0.31084922	0.5573615	-0.535956	-0.023561105	0.37211618	0.6379351	0.38544574	-0.93083864	-0.26486734	0.8235646	0.19747593	-0.8966254	0.5564225	-0.4474417	-0.07486681	-0.9995991	0.7755273	-0.22429995	-0.089794375	0.023540432	0.7027073	-0.106582895	-0.062247742	0.6890592	0.34395036	0.03384411	0.5448723	-0.53156346	-0.3315857	-0.35582173	0.99203604	0.6036234	0.4587481	0.26316234	0.13794763	0.43109277	-0.45554155	-0.16327709	-0.32718718	-0.3123287	0.413143	-0.9232762	0.015419723	0.5348078	0.99166304	0.33332846	0.18456545	-0.07046547	-0.44653234	-0.25689685	-0.018896427	0.011616796	0.12138943	0.42333964	0.9986811	0.23769882	-0.6445266	0.28493127	0.60528326	0.6685937	-0.56881565	0.48480135	0.15777157	-0.4331568	-0.55837816	0.9985722	0.34003457	0.33226895	-0.22643007	-0.78612226	0.68994606	-0.9884007	-0.69433343	-0.032323644	-0.039031826	-0.02626314	0.9991666	-0.38576517	0.96405345	-0.7459194	0.3297698	-0.020088345	-0.64716476	-0.47835252	0.88379866	0.5399927	0.47080225	-0.83803993	-0.15873787	-0.46328154	-0.2666775	-0.6735555	-0.46227938	0.9959672	-0.85025215	-0.897251	-0.9487758	-0.8247373	-0.044127215	0.17761575	-0.7877466	-0.33814862	-0.5874427	0.56232303	0.299737	0.21236393	0.226297	0.107096486	0.42361727	0.28048164	-0.6166985	-0.80742085	-0.56562996	0.26954055	-0.8018988	0.5463691	0.39236993	-0.81137437	0.64452845	0.79135585	-0.5739945	0.2851646	0.7808241	0.666546	-0.42436185	0.52955264	-0.06715695	-0.011685327	0.4246367	0.49106008	-0.33896726	-0.07048198	-0.6594093	-0.9016637	0.52303815	0.49078336	-0.43254158	-0.18405697	0.20312706	-0.637091	-0.6198643	0.24666908	-0.29346448	-0.8985728	-0.19731566	-0.99770856	-0.47142732	0.652729	-0.7126732	0.5766733	0.31499392	0.00765985	-0.76936096	0.40440804	-0.46574497	0.6655353	-0.2210283	-0.60709673	-0.22754925	0.572573	-0.986791	0.08898372	0.5295197	-0.38053736	-0.076855585	0.8454014	-0.4838116	0.013684643	-0.6784537	0.21719442	0.20317848	0.0880295	0.14603189	-0.32548207	0.18584806	-0.034070764	0.87923443	-0.4948086	0.14413238	0.6985007	-0.34269422	-0.4311099	0.59484977	-0.61352074	-0.679161	0.21338294	0.4231128	-0.9998017	-0.42408705	-0.24938446	-0.23877713	-0.22002158	-0.18272926	0.16530451	-0.7105576	-0.26276228	-0.16992503	-0.12738125	0.7732087	0.52971894	-0.6870918	-0.2203333	-0.63571846	0.35367998	0.27936155	-0.31081346	0.53482103	0.9930569	-0.53588945	0.46496695	0.8228329	-0.89797884	0.22372654	-0.47962356	0.1164395	0.8396721	-0.405733	0.9963093	-0.69439614	-0.08087799	-0.8043079	-0.30733547	0.14837687	0.7974482	0.90783614	-0.7230597	0.6155968	0.9988276	0.29423028	0.8855076	0.7832687	0.45058197	-0.99710715	-0.90571415	0.43272766	0.5864174	-0.31285793	0.5798288	0.09813748	0.48833296	-0.54488075	0.116223335	0.97479177	0.7466625	-0.37857386	0.2934649	0.7755883	0.21886657	-0.52904636	-0.43342096	0.4056643	0.63897586	-0.3283812	0.2888253	-0.9999461	0.18785281	-0.16451958	-0.6394838	-0.30832726	-0.9013272	0.8060054	-0.86773854	-0.2574285	-0.6493873	-0.1425567	0.36233646	0.29541233	0.38042876	0.62764096	0.15199377	0.054624707	0.026422556	0.25842538	-0.4786011	-0.081217654	-0.51996726	-0.23545988	-0.10789601	-0.48947176	0.678171	0.50910646	-0.4343784	0.06304388	0.76747406	0.13392231	0.7720309	-0.9813136	-0.71138066	0.4869412	0.3913488	0.31686008	0.111755945	-0.003600096	0.99972814	-0.6671803	-0.033340085	0.58004636	-0.59721965	0.5884411	-0.75910443	0.08487125	0.030524524	0.12187002	0.29379368	-0.098413505	0.2760112	0.13435225	0.6553861	-0.20698012	0.4885117	-0.07788008	1	0.4735691	0.10781375	0.26273063	0.065750375	-0.5767835	0.3132554	0.105511725	0.57649666	0.60816324	0.33739704	-0.32449156	-0.041451417	-0.7797632	0.12576614	0.013008317	0.5172053	-0.5321433	-0.4858393	-0.5352969	-0.9561075	0.36434704	-0.5873056	0.073353216	-0.74967647	-0.35217264	0.5914082	0.05775382	0.46581274	0.75113964	0.20258841	0.6135037	0.027755521	0.4579089	-0.14112566	-0.8323887	0.6679382	-0.21494907	0.15424307	0.06666604	-0.14928402	0.9999999	-0.84093535	-0.5683802	-0.5388129	0.99759144	0.39646333	-0.07260067	-0.9999677	-0.22463875	-0.6892473	-0.16948251	-0.4257808	-0.047285024	0.049222283	-0.6389739	0.48376748	-0.33937532	0.6290037	-0.4899918	0.016156008	0.5636063	-0.012865309	-0.9996453	-1	-0.99224967	0.5579836	0.44698465	-0.6731072	-0.07331315	0.7597576	0.042515397	0.8845972	0.84938824	0.50474465	-0.11087728	-0.16929562	0.43734756	-0.25591615	0.6451199	0.07316427	0.15167686	-0.95505095	-0.9990458	-0.088007644	0.59289175	0.4991592	0.18567607	-0.54600185	-0.92206067	0.58595294	0.54168	-0.052323904	0.23038433	-0.7779268	-0.15971729	-0.8255273	0.050288297	-0.24421081	0.16384944	0.12270725	0.661596	0.08668808	-0.26661158	-0.14475258	-0.3397997	0.67826074	-0.9894874	-0.17134683	0.057450596	0.06149792	0.1079426	-0.055716194	0.18962933	-0.078298785	-0.026303194	0.32229885	0.51308155	-0.24559793	0.5104253	0.07646663	0.7055762	-0.25569496	-0.367556	0.9995982	0.6778547	-0.38884512	-0.5492965	0.47232416	0.003356639	-0.02377825	-0.8243619	-0.07637227	0.44021648	-0.40326586	-0.2815097	-0.20456985
306	0	CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C	0.60973173	0.41993967	-0.43416333	-0.7005237	0.20521636	0.022604499	0.05470659	-0.5709538	0.24138111	0.01696632	0.17264643	-0.112333365	0.114831954	0.7010204	-0.1950178	-0.92370415	-0.6494616	-0.49428052	-0.49708983	-0.2930056	-0.106169276	0.77789336	0.36548233	-0.22628964	-0.05386585	0.48950064	0.47664514	-0.7454012	0.21697445	-0.58164126	0.24729203	0.115496	-0.13332321	0.4714936	0.4936717	0.57968146	0.074657686	0.2417927	0.9996492	-0.015115398	-0.15984263	-0.34009895	0.3016054	-0.16895011	-0.3537948	0.29887092	0.6553223	0.16211098	0.9915826	0.78458834	-0.3736232	0.61265075	-0.7247099	0.2736473	-0.8186938	0.08714999	-0.6737567	-0.9266456	-0.6137067	-0.19929649	-0.487986	0.76852924	0.71035284	-0.57097155	0.6424739	0.84552985	0.69586694	-0.5510545	-0.015170278	-0.2703113	-0.57579434	-0.3733505	-0.31232587	-0.3738236	0.71648383	-0.9044022	-0.38179937	-0.8797052	0.38011357	-0.99987733	0.21003251	-0.625726	-0.92067695	0.49998143	-0.18752953	-0.8096125	0.2536593	-0.015509377	-0.058110047	0.542514	0.7594795	-0.13816576	0.49578568	-0.17900135	0.9961862	-0.08692161	0.60989755	0.35260212	-0.34919193	-0.013283849	0.024864012	-0.3951628	-0.14735718	-0.9053562	-0.99893945	-0.93482935	0.12250716	0.25375277	0.98415005	-0.31711397	-0.61987996	-0.21257211	-0.85884637	-0.47400558	0.40122193	0.427267	-0.09676949	-0.3912281	0.9895442	-0.8784586	0.30783308	0.5348301	-0.021999838	0.119508944	0.2712661	-0.29391176	-0.23258498	-0.07053997	-0.57612264	0.9997696	0.1896763	0.32459575	0.8164226	0.23464222	-0.2053744	-0.99347126	0.6782829	0.094874136	-0.88778484	-0.4926315	-0.9963304	-0.2449577	0.71572423	0.69495547	0.11890739	-0.4481996	-0.4818574	-0.24955346	-0.98667836	-0.6485779	-0.55993235	-0.6755653	0.33240202	0.2204274	-0.21650629	-0.7551761	-0.3930137	-0.6120651	-0.9778735	-0.9095098	-0.38255635	0.7345543	-0.3168226	0.3470468	-0.44155034	-0.15163116	-0.2674693	-0.5636109	0.30308965	-0.014190699	-0.7061666	0.013734706	-0.071962945	0.39237958	0.58343595	-0.5819007	-0.75316274	-0.71802735	-0.22735879	0.7018637	-0.61431575	-0.9574194	-0.7539949	-0.67858773	0.8103621	-0.38219503	0.64005804	0.5544677	-0.63009596	-0.8589215	0.73017055	0.02171598	0.63648695	0.58944094	-0.7486818	0.25517723	0.44810212	-0.85289836	0.44166318	0.09104287	0.57509696	0.368826	-0.47392848	-0.10440869	-0.7984743	0.003946317	-0.19383892	0.4975918	0.10422308	-0.99990714	-0.47813618	0.11869479	0.4196554	0.25115663	-0.53141135	-0.56978273	-0.027265843	-0.16767521	-0.3801041	0.469513	0.38989857	-0.43364412	0.17795943	-0.5376341	-0.97831017	-0.6733661	0.6724364	-0.08342709	-0.4203175	0.32584006	-0.57359785	-0.2028259	0.84030217	-0.17904575	-0.6252816	0.03719222	-0.20041256	-0.13057452	-0.4394312	-0.16903843	0.8933829	0.575947	0.79648936	0.15604451	-0.46085936	-0.6955288	-0.3903948	-0.7010538	0.42477405	-0.32955256	0.06586116	-0.9976229	-0.6239399	-0.45075256	-0.40509647	-0.8810087	-0.22674488	0.32678258	-0.028451359	-0.41233256	-0.16081491	-0.7516023	0.5185013	0.43150833	-0.29675072	-0.5001488	0.11361205	0.49464834	0.9767105	0.009616941	0.6065928	0.99891436	-0.015219063	0.26459575	0.11960752	-0.8525699	0.25533724	-0.2671011	0.18125913	-0.5245959	-0.21509579	0.9752982	-0.7619335	-0.3438975	0.53169805	0.6214963	-0.19946751	0.92976385	0.53658926	-0.83690923	-0.355557	0.6962713	0.2561792	0.98901135	0.43516362	-0.54177576	0.99853	-0.99292195	-0.10615701	0.13366102	0.50067973	0.29511464	-0.7114737	0.38528383	0.5684826	0.52421904	-0.9805538	0.8076533	-0.6389307	0.21269435	0.574588	-0.7163612	0.3833207	-0.6902961	-0.2909881	0.53664356	-0.560825	-0.0483757	-0.99991184	0.10596298	-0.54872817	-0.45137802	0.34999108	-0.46904153	0.5436585	0.13606763	0.25679803	-0.92615724	-0.43248376	-0.37935808	-0.26623487	0.7529982	-0.31318176	-0.521105	-0.32023218	0.78598994	0.11553982	-0.52204627	-0.33699507	-0.046557587	-0.76458335	0.8139955	0.21566148	-0.5712653	0.30224597	0.07563562	-0.22546472	0.21248041	-0.14508924	-0.85226315	-0.4869036	-0.5178034	-0.1519677	-0.20584276	0.41446728	0.3142994	0.054868624	0.99918705	-0.37785995	0.24509487	0.5694001	0.07537712	0.09133486	0.056661304	-0.80414796	-0.23933613	0.48052698	0.82987607	-0.003437463	0.0697959	0.10829401	0.35738707	0.83205396	-0.5582241	-0.08406941	0.99999994	-0.002879149	0.06518628	-0.5488521	0.2749616	-0.6391759	0.09537043	-0.80623686	-0.06259103	-0.3718014	0.684355	-0.5465346	0.6159409	-0.3690899	0.7639939	0.73021656	0.39690313	-0.21908376	-0.16525988	-0.26121938	-0.977043	-0.40442842	-0.6338978	0.9424721	-0.54384446	0.742621	-0.20972691	0.12570374	-0.24556775	0.40393817	0.14418451	0.059683368	-0.03559871	-0.42288804	-0.76073205	0.017994357	0.4417565	0.12225028	-0.22346686	-0.20908985	-0.17689063	0.99999964	-0.28200078	-0.9761299	-0.40106663	0.9969173	-0.70101476	0.7114763	-0.9999106	0.43694147	0.03610395	0.8230922	-0.12858455	-0.5041318	-0.6282452	0.660695	-0.8734852	0.47088274	0.089444615	-0.60553724	0.05853513	0.48258027	-0.44593313	-0.9999427	-0.9955674	-0.6666243	0.11438554	0.21179192	-0.679378	0.30227658	-0.48813343	-0.8327131	0.51684314	-0.45916072	-0.18713997	-0.6375208	-0.13541408	-0.61999774	-0.6624487	0.91109204	-0.59752613	0.000309788	0.86263853	-0.99952346	0.01122988	0.5569572	-0.31572863	-0.3137051	-0.087798774	-0.55975145	0.7303359	0.51251113	-0.28668502	-0.4438419	0.59862274	0.48010114	0.8895194	-0.36069202	-0.18296032	-0.39654547	-0.23788233	-0.23918025	0.59571284	0.7645406	0.16170967	-0.5783675	-0.13033353	-0.9915941	0.75124747	0.532115	-0.5633324	-0.5652854	0.37254477	-0.5679633	0.8600915	0.45735383	0.31209618	0.8761572	0.99795	0.14512551	-0.09648336	0.44076574	0.7073289	-0.15441018	0.99146223	0.5416703	-0.2984436	-0.13758457	0.61256254	-0.48790252	0.5253571	-0.999091	-0.65744853	0.6295755	0.82192963	0.32294488	-0.013913914
307	0	CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1	-0.8925486	-0.029612804	0.120966814	0.62762403	-0.22889502	-0.69479764	-0.34418243	-0.056679703	-0.59175414	-0.220776	-0.6424752	-0.22320662	-0.123373695	-0.43570453	0.48390123	-0.14029725	0.18462583	-0.27215776	0.030740146	0.37553766	0.4222999	-0.66967875	0.45494694	-0.11015862	-0.041861422	0.72483015	0.34294716	0.138985	0.08694434	0.07155868	0.32677203	0.6291883	0.3405413	-0.074521914	-0.07261963	0.21763065	-0.114360705	0.72034234	0.71755147	-0.9114905	-0.995642	-0.5507118	-0.47967872	0.15504993	0.5365484	-0.99375665	0.270538	0.05433579	0.77314955	-0.39682165	0.36429182	0.023941709	-0.042180624	-0.23092213	-0.7875308	0.39738694	-0.7059802	0.8889261	-0.12410371	0.50755227	0.19090608	-0.5187001	0.10368415	0.37731785	0.398097	0.43244115	0.47846395	0.5016081	0.48872933	0.03226767	-0.60012984	-0.9721197	0.38223878	0.100806445	0.5729409	0.09748605	-0.15797397	-0.29867902	0.61960304	-0.9989095	-0.56880075	-0.22975498	-0.79520893	0.30220306	-0.47913405	-0.30983552	0.42817447	-0.14473669	-0.3234857	-0.22542486	0.10599517	-0.10308651	0.582498	0.28756	0.9669551	-0.530886	0.13616318	0.27488226	0.3800483	-0.5951774	0.47731635	-0.30482703	0.6909642	0.5265328	0.5687512	0.04823416	0.47723174	0.28601706	-0.7156634	-0.117052324	-0.010293156	-0.2409137	-0.19133595	-0.36271772	0.19207183	0.13135579	0.5379566	0.6765454	0.9994638	-0.26647362	0.20880888	-0.24972309	-0.22218859	-0.10056515	-0.35961875	-0.16923393	0.023549996	-0.08159911	-0.3359103	0.999555	0.3211679	-0.01176168	0.20545833	-0.09617236	-0.14213628	-0.92802083	0.4317487	0.46603346	-0.7488975	0.01277188	-0.99422497	0.42536685	0.98296684	0.2520933	-0.22179243	0.5420546	0.004401142	0.10725549	0.977942	-0.71955085	-0.25895217	0.7682983	0.06666028	0.38202077	-0.6353182	-0.053689543	-0.33802092	0.99762434	-0.38694254	0.3095282	-0.9863773	0.11355187	0.033230014	0.0674911	0.50870204	-0.34510162	0.09543401	0.013293898	-0.50811493	-0.14037126	-0.526316	-0.23308508	0.20784017	0.37674344	-0.2241073	-0.9652346	-0.8123302	0.18318231	0.20472957	-0.17372936	0.26426828	-0.23844811	0.06253642	0.086652204	-0.9229298	-0.701683	0.5386062	0.6974001	0.19837822	-0.44264147	0.3726304	-0.22689489	-0.18637858	0.20027046	0.056475945	-0.15065143	0.45688513	-0.8772426	0.43265414	0.046390112	-0.6112271	-0.2694198	-0.74381804	-0.4854279	-0.107654765	-0.2254628	0.50505	0.17295381	0.09996672	-0.9853034	0.33663327	-0.0597235	-0.027097905	-0.28142214	0.117832266	0.5109146	-0.013470922	-0.20532352	-0.30873445	0.23755233	0.5810206	-0.5786351	-0.6813201	-0.5229935	-0.84722847	0.03246664	-0.1514838	-0.07883128	-0.13380165	0.1694106	-0.4045314	-0.45307437	0.13204914	-0.32817692	0.3874301	-0.38698605	0.05583166	-0.06571764	0.04477947	-0.14506282	0.83514094	0.37209788	0.20366424	-0.70660216	0.575991	-0.4818829	0.406764	-0.28796247	-0.05111118	-0.25048605	0.79409593	-0.9986759	0.1566235	0.1311562	-0.2680208	0.11170033	-0.5624225	0.17657568	0.07881773	-0.5241041	-0.37253612	0.16501231	-0.41445798	-0.57305396	0.6643722	-0.31475973	-0.13451353	0.26638588	0.06239391	0.22000441	0.14598356	-0.28498432	0.3414265	0.36651945	-0.19589677	-0.2984972	0.5979706	-0.19183813	-0.38229632	-0.14731082	0.104403615	0.999771	-0.22775455	0.02686946	0.27390835	-0.43084112	-0.49247512	0.11191457	-0.000194471	0.1969783	0.108588405	0.99942714	-0.072917625	0.59362376	0.50802094	0.025494065	0.9965689	-0.951581	0.3394325	0.26951948	-0.3635087	-0.078437954	-0.2286699	-0.09555214	-0.04250644	-0.31379002	0.9821415	0.2562981	0.49479654	0.058216423	-0.13223076	-0.09019324	-0.42785797	-0.18330522	0.7981261	-0.6931569	0.022380479	-0.023202872	-0.9880629	0.023631524	-0.4954801	0.38852987	-0.17551294	-0.21895307	-0.48185515	0.12226038	0.23395474	-0.9698252	0.11645143	0.47809938	-0.50303847	-0.39576	0.26413196	-0.11168565	0.06281756	0.10379912	-0.3020742	0.039650895	-0.3233206	0.52554417	0.105455026	-0.1407741	-0.27429003	0.45838743	-0.39150682	0.23639928	-0.6238247	-0.46715346	0.04358692	0.6805098	-0.9974384	0.038049985	0.31568795	-0.5977469	-0.01251667	-0.38852325	0.059777606	0.99907595	-0.33707225	-0.6981173	-0.23098321	0.40327948	-0.19050148	0.10739079	-0.82319826	-0.69027877	0.43543112	-0.5452782	-0.43168914	0.22467925	0.13833955	0.23362562	-0.060797725	0.8524279	-0.16126779	1	-0.008246345	-0.7276012	0.33438918	-0.43787277	-0.7963428	0.25005513	-0.0560981	-0.1349659	0.3589398	0.24155809	0.023781994	0.4870488	0.18280722	0.6181763	-0.40291378	0.4758979	0.15775895	0.2719506	0.5558724	-0.4895268	0.39123935	0.22166772	0.23062088	-0.3578577	-0.7306012	-0.48429802	-0.057856906	0.39595163	-0.12660336	-0.36348408	-0.43973476	-0.55093884	-0.06640725	0.011274203	0.64674246	0.33472553	0.3909062	-0.002010305	-0.21455553	0.591594	0.99997824	0.1607419	-0.97480583	0.52063	0.99990535	-0.30999845	-0.3747948	-0.9992709	-0.4994722	0.094784886	0.4055126	-0.5971244	-0.67495644	-0.10108794	-0.03890233	0.1631074	0.13667981	0.41231096	-0.21307278	0.091666296	0.5799153	0.38439465	-0.99999195	-0.9996217	-0.9838988	0.11620366	0.31536818	-0.37042737	-0.43415588	-0.4814182	-0.8690341	0.15556364	-0.22015728	0.05058294	-0.7465967	-0.11591475	0.3219709	0.10108533	0.27090946	-0.31413656	-0.21614213	-0.95949554	-0.9999715	0.026282802	0.16909532	-0.19679414	0.26101688	0.2896111	-0.98793876	-0.26349667	0.17873573	0.34276575	0.16040255	-0.47393134	0.614563	0.9283179	-0.09797417	0.9398058	0.088444345	-0.045871664	-0.387045	-0.5935698	-0.29988787	0.009167558	-0.4085883	-0.38705453	0.61602163	-0.0404637	0.13709399	-0.2764329	-0.25737503	-0.5289721	0.45387486	0.6439217	-0.15735206	-0.028065115	0.085463226	-0.27828842	-0.43994132	-0.16374545	-0.34401816	-0.6402666	0.5805813	0.9999588	0.19510387	0.42646295	0.5313593	0.3973787	-0.117388554	-0.080882885	-0.3360557	0.29663065	-0.3632598	0.70424247	0.6200209	-0.10952833
308	1	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-]	0.9629594	0.6207946	-0.18572949	0.06675271	-0.28277326	0.45783025	0.11661601	-0.35880485	0.8661962	-0.1266232	-0.80265594	-0.11915686	0.02681019	0.30520478	-0.55874497	-0.4246559	0.65044683	0.18875958	0.31481954	0.21309891	0.5779494	0.6455435	-0.013408194	0.002137326	-0.5965765	-0.74264884	-0.15092108	-0.64406	-0.47021434	-0.50650966	0.32655138	-0.76334244	0.119121976	-0.54547834	0.48575085	-0.07713554	-0.571768	0.60501224	0.9997793	0.9041764	-0.68943954	-0.5475415	0.13054304	0.6892746	0.05079528	0.7043308	0.08836181	-0.6720573	0.99775016	-0.07717045	0.23159471	0.5456061	-0.8205829	-0.14701447	0.12721556	-0.4624049	0.8317314	-0.882849	0.53009826	0.3684276	-0.12615697	-0.47969848	0.5800922	-0.3760997	0.12441878	0.6086372	-0.5431673	-0.47454908	0.59473187	-0.6385152	-0.6179536	-0.7430491	0.07720905	0.89590967	-0.6283822	-0.25112218	-0.57470393	0.13898522	0.33660167	-0.99999356	0.88493836	-0.65267426	-0.9643761	0.169027	0.1878858	-0.735703	-0.54515547	-0.23201679	0.1429922	0.88909817	0.5212875	-0.4861903	0.12547484	-0.31443992	0.99994224	-0.42149597	-0.26782328	0.46855834	-0.4935405	-0.10623478	0.75006276	-0.4095167	-0.08919175	0.62750626	-0.99949557	-0.87754333	-0.41073477	0.20126925	0.93732154	-0.10195648	0.5728421	-0.40703422	-0.67800474	-0.60889405	0.12422745	-0.117422536	0.3216008	-0.30731937	0.8843071	-0.07778314	-0.52483106	0.56263095	-0.89938885	-0.13364911	-0.48799744	0.17887522	0.15053567	-0.018173264	0.8696614	0.9995652	0.1000255	0.010988716	-0.31488818	0.30686817	0.57429534	-0.99479276	0.22226368	-0.8024167	-0.5400249	-0.18466151	0.99805206	0.2172877	-0.6694196	-0.20063011	-0.49828076	-0.29542175	0.51102346	-0.49242282	-0.99750876	0.29072824	-0.6816527	-0.9404926	-0.3742442	-0.47861183	0.002145529	0.75398535	-0.11387679	-0.93505764	-0.9089944	-0.89224935	0.35318378	-0.8718262	0.7247568	0.50986487	0.61265564	0.5402705	-0.26656032	-0.66763335	0.75303525	0.062139444	0.34356326	0.8995117	0.18544777	-0.68190163	0.6587159	-0.83936894	-0.30396459	-0.24717763	-0.6010108	-0.31634757	0.54092133	-0.99990493	0.22679502	-0.5582465	0.8258018	0.37454635	-0.0786289	0.6452228	-0.09674981	-0.25321823	-0.9315443	-0.30286285	0.25777614	-0.2907585	-0.28641394	-0.016222244	0.39658043	-0.63655186	-0.6122659	0.78786653	0.2623659	-0.74882215	0.84453315	-0.5310252	-0.21947074	-0.5917447	0.46591148	0.20832163	-0.66206175	-0.99994355	0.13437878	-0.009632345	-0.1844196	-0.58673084	0.5709229	0.32231036	-0.4216926	-0.3150812	0.56932825	-0.686953	0.17767686	-0.19946525	-0.16020262	-0.025573578	-0.98745453	0.50860083	-0.4409735	-0.18515445	0.6262295	-0.7504977	-0.73486346	-0.10443537	0.22473903	0.18036677	0.009469095	0.6570566	-0.07340077	-0.52339613	-0.26672396	0.3512521	0.17971225	0.46822587	0.568845	0.3920884	-0.98261213	-0.28513175	-0.42353013	-0.6258532	-0.8057547	0.57625777	0.27648607	-0.99970585	-0.17591745	0.91684765	-0.37500083	-0.36907372	0.47797593	0.108489305	-0.7154565	0.004120717	-0.16677432	0.4554287	0.10692559	-0.14357059	-0.32489118	0.8676441	-0.3033569	-0.14787792	0.9621191	-0.2515381	0.44965038	0.9979138	-0.49939084	-0.33059397	0.22830905	-0.7715132	0.3491873	-0.28435978	0.45890906	0.6705331	0.6114724	0.9510415	-0.46081278	-0.6262892	-0.80002844	0.014334623	0.39453194	0.78163266	0.5160872	-0.41396263	0.82351285	0.14966765	-0.72407025	0.5971651	0.13670708	-0.6223417	-0.9965725	-0.98174393	-0.5458162	0.123503126	0.7096171	0.47219133	-0.6887439	0.259829	-0.6353752	-0.6232405	-0.9971068	-0.78900295	0.633952	0.18396316	-0.3600353	0.30394202	0.4670516	0.41569403	-0.9937442	-0.6765288	-0.33538458	-0.6548436	-0.9998203	-0.5487355	-0.2887063	0.11762997	0.09999775	-0.8179919	0.642359	-0.63525647	-0.31932953	-0.728674	-0.41213804	-0.6782382	-0.06002075	0.27999255	-0.45099875	0.29771462	-0.5686059	0.5693948	0.052557882	-0.32092565	0.7700081	0.251297	-0.6907686	0.21208258	0.17923595	0.35806105	-0.19787185	-0.25550592	0.612491	0.22576377	0.49523014	-0.96017975	-0.18713954	0.85523385	0.62569904	0.27454185	0.39688796	-0.23873672	-0.047095027	0.99987435	0.011462869	0.3009505	0.31587005	-0.052427337	0.16502377	-0.11409066	-0.43246472	-0.28815386	-0.674889	0.2883406	0.33337176	-0.28395036	-0.5923881	-0.565229	-0.6372508	-0.5038318	0.24684724	1	-0.3928598	-0.010923039	0.20461562	0.6072068	0.3368013	0.72040445	0.38251206	-0.3065588	0.7081376	-0.00644329	-0.13496427	-0.24690616	-0.51697654	-0.114892595	-0.22476801	0.29691306	-0.18034679	0.61151373	0.44701245	-0.99455595	0.28235176	-0.7577333	-0.8348744	0.56224763	0.99643975	0.35566545	0.11219098	-0.411416	0.34897938	0.083510704	0.80730313	0.99097276	-0.8976447	-0.22826089	-0.5107575	-0.24193384	-0.2957514	-0.5286821	0.34594104	-0.6117406	0.9999993	-0.25420988	-0.992336	-0.30515268	0.99754727	-0.8772017	0.10021901	-0.9999434	-0.6808333	-0.9696705	0.17480588	-0.54967636	0.17832118	0.61968195	0.19776879	-0.6871965	0.26674053	-0.0656281	-0.0882074	0.16270424	0.4172512	-0.18214808	-0.9996687	-0.99999887	0.3720024	0.15949108	0.13773394	0.6435696	0.12792331	0.41508883	0.49902624	-0.93221307	-0.041458014	-0.4888243	0.121057466	0.86604464	-0.79970944	0.59500444	-0.5550472	0.0726635	-0.7173681	0.9499575	-0.99722224	-0.03084007	-0.09468549	-0.22655009	0.58887476	-0.22443503	0.842056	0.84292334	0.4666388	-0.33876017	-0.084531195	0.20466726	-0.34514982	-0.95723766	-0.34086737	-0.98316145	0.53540397	0.2873224	-0.5515555	0.85221165	-0.81590164	0.32073689	-0.83731765	0.5005136	-0.9959745	0.4345507	0.000293219	0.52195716	-0.19581893	-0.109172314	0.33274025	0.14712448	-0.40788347	0.31363323	-0.5294324	0.99960643	0.08669659	-0.7171229	0.56467944	0.34604737	-0.3638326	0.99989086	0.13777572	-0.8362175	0.20264591	-0.67869246	-0.074956916	-0.19956492	-0.9995933	-0.4407014	0.29912406	-0.17856692	0.49576858	-0.37488955
309	1	CCCCCCCCCCCC[N+](C)(C)C	-0.5016134	0.028546277	0.3627091	0.36165342	-0.2875648	0.063233085	-0.39957306	0.118425265	0.15155244	-0.35034817	-0.8539641	-0.038423836	0.27433035	0.019912519	0.039609447	0.32579693	0.38173538	-0.29993793	0.03351692	0.36283007	-0.7794503	-0.7475914	-0.25517702	0.005489409	0.8323994	0.16468364	-0.16694456	-0.16204424	0.74295425	-0.29379907	0.14041196	0.7318826	0.7308798	0.29801753	0.01625869	0.24148537	-0.01836672	0.7336156	0.8233759	-0.8792399	-0.9915074	-0.041305806	-0.2149709	-0.30424222	0.087728575	-0.98837656	0.1573406	0.17781587	0.9993836	-0.15355593	0.46469188	-0.17431298	-0.24201731	-0.31881183	-0.9335303	0.29054895	0.8996856	0.9278105	-0.33949593	0.1331484	-0.21657369	-0.18201487	-0.18767317	0.58956647	0.57131433	0.46928233	-0.540861	0.1975184	0.5920455	0.008783174	0.8827953	-0.48655218	0.002788372	0.8759054	0.91828024	0.55240667	0.3637601	0.4500814	0.35178748	-0.9999344	0.2922832	0.46231142	-0.92485684	-0.60261333	0.43265787	-0.8728565	0.007510154	0.29644394	0.19931725	-0.5266057	-0.5534134	0.102106646	0.32350504	0.054048147	0.495219	-0.67708415	0.69757026	-0.120484255	0.21170487	-0.73306745	0.4115562	0.5790456	-0.07437915	0.8698604	0.27558765	0.77627975	0.29997057	0.1938127	0.9951801	-0.71345836	0.24372002	-0.005280431	0.76271856	-0.16278255	-0.7156392	0.38310048	0.013635831	-0.14048521	0.99587727	0.9061366	0.13389571	0.6019967	0.64411753	0.09329139	-0.19418265	-0.08218656	0.36852604	0.12593913	0.07784499	0.99998504	0.37371388	0.5569122	-0.020937048	0.4094039	0.06445715	-0.8743371	-0.7084179	0.5736502	-0.13508515	0.003096643	0.99925715	0.43838343	0.99547786	0.58985585	-0.7159497	0.17319603	0.8032221	-0.10953791	0.8931559	0.38295552	-0.73899114	-0.9373637	0.7609278	0.7988417	-0.20633782	0.41969875	0.14566095	0.9919419	-0.12081028	-0.93054223	-0.9630105	-0.48277384	0.100830354	-0.116763964	0.52478355	-0.44935003	-0.12032344	-0.21167378	-0.42742726	-0.07015029	-0.35540724	-0.21207385	-0.09818884	0.17933764	-0.02447317	-0.98800826	-0.39362723	0.21454135	-0.6005854	-0.32398787	-0.17646979	0.852144	0.4341515	0.52976406	-0.9187239	0.10240081	0.16798396	0.49688545	-0.13166381	0.4824207	-0.8430513	0.5897723	-0.42977926	0.7782296	0.13043238	0.47431785	-0.06565009	-0.6974673	0.61975175	0.501182	-0.072308436	-0.45679477	-0.29953313	-0.39418003	0.37721524	0.43618456	-0.14311033	-0.69938236	-0.004740202	-0.9982427	0.13982432	0.008912732	-0.03331648	-0.5386829	0.6490827	-0.045177594	-0.22950596	-0.12255687	0.08291832	0.42605364	-0.48416263	-0.26009908	-0.7102259	-0.16144219	-0.9772356	0.6568867	0.17285062	-0.458891	0.017020073	-0.12002179	0.3333558	0.33844468	0.22759922	0.30234924	-0.5699127	-0.14543274	-0.46988228	-0.17273977	0.6004956	-0.000758173	-0.9493251	-0.36391708	-0.3596552	0.52845913	-0.88808554	-0.61604506	0.09717035	0.16080883	-0.031648237	0.40417734	0.20214863	-0.9998657	-0.37991837	0.73168695	0.26860827	0.5183861	-0.58141077	0.4957682	0.17712393	-0.5893988	-0.5415584	0.810844	-0.5897646	-0.4557733	0.672673	0.5086849	0.48663962	-0.75361925	0.9792446	-0.4300018	-0.43055233	0.58897907	0.015592516	0.2167928	-0.15015893	-0.7168548	0.6875469	-0.7497076	0.15102026	-0.39927167	-0.33242545	0.99959433	-0.42951885	0.5164066	-0.599802	0.17718637	0.049102	0.96837753	0.9576958	0.5098494	-0.28217965	0.9978282	0.027484294	-0.03829642	0.13818207	0.7263005	-0.998218	-0.9987859	-0.2856765	-0.33832794	-0.2906124	-0.34410617	-0.30384752	0.17107108	-0.38663116	-0.95083296	0.9051738	0.26610643	0.3155837	0.6489375	-0.46835658	0.43527663	-0.4996468	0.43334812	0.97024184	0.21948858	0.4956831	-0.30200392	-0.99999326	0.12361319	-0.09078525	0.7639888	0.21871611	-0.7052726	-0.21240854	-0.6756434	0.32509074	-0.9574513	0.2747075	0.7564574	-0.32121924	0.059720356	0.46883404	-0.4603325	-0.06160165	0.9731663	-0.23648614	-0.2180221	0.3621006	0.37395144	-0.23899198	0.019688534	0.21754737	0.5150093	-0.11541841	-0.030474832	-0.008869363	-0.37844232	0.3109178	0.76293224	-0.99687076	0.12954	-0.38516033	-0.21206985	-0.24372959	-0.022224173	0.22759764	0.9999183	-0.23526339	-0.72561175	0.05437552	0.1345681	0.11591942	-0.6368702	-0.6482732	0.22998206	-0.4678371	-0.81901896	-0.7555125	-0.6197704	0.23770273	-0.5824795	-0.8922608	0.7936733	-0.7542025	1	-0.33222198	-0.43921524	0.38827688	-0.1525161	-0.13965921	-0.02116153	0.8502897	0.06747202	-0.078122295	-0.74190277	-0.09109358	0.003390053	0.24115776	-0.45912287	-0.4341039	0.13381183	0.06277538	-0.5614196	-0.41777027	-0.9844774	0.6755696	-0.47758198	-0.73709553	-0.6636585	-0.9636672	-0.058523767	-0.6303067	0.10930626	-0.15126118	-0.69344693	-0.65802896	-0.5286006	-0.32760075	0.53548425	0.5116347	-0.28428915	-0.16660036	-0.30905616	-0.012965704	0.6731776	1	0.59100395	-0.9954418	0.190623	0.99902815	-0.5666473	-0.36538422	-0.9999791	-0.51235163	-0.8753122	-0.72465897	-0.21425919	-0.269999	0.6722624	0.36892164	-0.9003751	0.09800768	-0.1883687	-0.013748187	-0.46822634	-0.24443981	-0.08952933	-0.99993455	-1	-0.92851466	-0.124097265	0.021636784	-0.17280361	0.097309545	-0.46471202	0.94579273	0.586724	0.4880776	0.12093879	-0.17197075	-0.69332826	-0.0873636	0.32345587	0.01904129	-0.2433403	0.41831645	-0.89391357	-0.99976534	-0.061692115	-0.7800408	0.6917444	0.25112748	0.19357638	-0.9988017	-0.59103423	-0.34319726	-0.28006768	-0.43849564	0.29554492	0.021787517	-0.8277187	-0.19582736	-0.84622383	0.3208274	0.7199418	0.353354	-0.71359664	0.75997084	-0.38106096	-0.22186255	-0.21869938	-0.9991006	0.7653991	0.50363404	0.63615334	0.13437055	0.11831069	-0.08919088	-0.822223	0.13472907	0.11886927	-0.32090047	0.32974467	0.052070387	-0.48352584	0.48680782	0.3196339	0.121750526	0.99998134	0.92376	-0.024929365	0.44027326	0.5636143	-0.49404833	0.088691734	-0.91465145	0.020066299	0.3825795	-0.18283145	0.8601169	0.27615073
310	0	CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1	0.82158047	0.2774545	-0.38913864	-0.43890136	0.47994822	-0.2727497	-0.9751497	-0.14053231	0.19989064	0.2809055	-0.2612545	0.40029365	-0.55438167	-0.54635316	0.4802704	0.058992866	-0.1894977	0.62194514	-0.08053195	0.52670896	0.62093765	-0.26882306	-0.4951475	-0.1315752	0.105098136	0.12261345	0.03771818	0.3661482	-0.24905396	-0.2890444	0.1218343	-0.77903837	-0.647607	-0.05266072	0.6222958	-0.66147983	0.04968898	0.30020455	0.99662167	-0.6954926	-0.9617534	-0.35299256	-0.24644054	0.13885482	-0.37879038	-0.6777819	0.11702571	0.3557861	0.9966602	0.26096305	0.5695249	0.16548888	-0.18648982	0.21414705	-0.7112626	0.33577776	-0.64050376	-0.1719121	0.3118447	0.10914195	0.29144257	-0.003651723	0.46939644	-0.48647335	-0.6366104	0.7889127	0.23789035	0.6021929	-0.2330273	-0.17596935	0.5792949	-0.86720663	0.48128253	0.07905949	-0.08862967	-0.7354811	0.04065535	-0.6315938	0.08069615	-0.99829453	0.5046833	-0.4807734	-0.9278278	-0.45206273	0.26967528	-0.70642024	-0.6671141	-0.3552084	-0.4785704	-0.2932965	0.10817742	-0.118289664	-0.26824674	-0.5463613	0.99740803	0.3169339	0.16945659	-0.14943516	-0.2706026	-0.5018439	-0.12624484	0.15119332	-0.16512227	0.94640833	-0.9761266	-0.8150709	-0.5717954	0.20621002	0.9930881	0.40501273	0.7780969	-0.35231137	-0.5819795	-0.46729544	-0.27106506	-0.29879934	-0.17437398	0.37441647	0.99636203	-0.38280517	0.074425526	0.053123493	0.33323807	-0.124306865	-0.52086323	-0.56333905	-0.31091332	-0.70375526	0.15280764	0.9993435	-0.3161326	-0.03652072	0.3764385	-0.39379033	0.4244255	-0.9817074	0.23294254	0.17132741	-0.50423336	-0.30768457	-0.99986786	-0.20562203	0.6317381	-0.69232136	0.49261394	0.050661664	-0.5935459	-0.1375255	-0.64627266	0.14913668	0.5238141	-0.8175208	-0.00924766	-0.07120382	-0.2793917	-0.011224907	0.32399765	0.74961644	-0.6756764	-0.9682562	-0.90002686	-0.4929158	-0.28236333	0.39537984	-0.20508185	0.06900382	-0.25535977	0.57389367	-0.16420732	0.1323069	0.46979284	-0.56961673	0.22741118	0.35642755	0.09891273	-0.87985164	-0.44907105	0.6845889	-0.5933699	0.10397157	0.7966943	-0.9918508	0.46821317	0.5742797	0.1576046	-0.15755941	0.34133178	-0.061343145	-0.6105231	-0.23759216	-0.46057388	-0.28054428	0.07764412	0.2693462	-0.5467025	0.081162885	-0.10234518	0.2732972	0.592492	0.81378525	0.10308236	-0.06899532	-0.46302179	-0.2571831	-0.6482054	-0.41483706	0.15781164	-0.7038322	-0.23253345	-0.99958795	-0.4192972	-0.5741948	-0.06988158	0.39604253	0.59950083	0.7916595	-0.29288068	-0.001941448	-0.14162359	-0.09532772	-0.15012862	-0.3556984	-0.13705544	-0.007586934	-0.98338705	0.007227793	0.29705018	-0.047378853	0.49523574	0.49417183	-0.32298332	0.4785718	0.41117212	-0.07846601	0.22899096	0.007385011	0.011300837	-0.24351558	0.6704016	-0.20278099	0.48057467	-0.3477657	0.2684226	-0.17870927	0.6028161	-0.63305163	0.4423031	-0.41041344	0.120488495	0.22709617	0.41856503	-0.96363324	0.13343705	0.17011295	-0.00056277	0.12057843	0.29149222	0.3775492	0.11033062	-0.45945337	-0.49142435	0.291814	0.16684593	0.34536618	-0.06029988	-0.102152795	-0.4980941	0.6099197	0.48859265	-0.22104435	0.08780862	0.9752562	-0.0549566	0.12553982	0.16580191	-0.13501306	0.0162572	-0.48330835	-0.4041173	0.5786059	-0.11198164	0.9979801	-0.47606787	0.071213074	-0.68739533	-0.18573388	0.31817204	0.83373666	0.82478845	-0.8137855	0.39345324	0.978682	0.45913324	0.54736966	0.3597315	-0.27560022	0.9999644	-0.9611797	-0.28204703	0.24141802	-0.54969996	0.78167105	-0.63175386	0.675538	-0.4964274	-0.6297873	-0.5413274	0.2801425	0.6287351	0.35172725	0.4561327	0.22430567	-0.16778377	-0.49766424	-0.70531875	0.54532295	0.68303376	0.55158114	-0.9999745	0.2420427	-0.53184277	-0.2029702	0.37203166	-0.9186197	0.0759353	-0.6545693	0.40705618	-0.85004765	0.07780423	0.41029486	0.37258145	-0.361601	-0.14982232	0.33275598	-0.3276605	0.30570573	-0.22276282	-0.04336394	-0.40864146	0.47464603	0.016582562	0.16838406	-0.80933505	0.5333288	0.6123063	0.13215601	0.44962496	0.70990586	-0.37543857	-0.5050598	-0.9545571	0.071811475	0.23076734	-0.079670206	-0.54673165	-0.006873371	0.5244694	0.99983275	0.438866	0.7186195	0.4171279	0.45377195	0.73190093	-0.73915124	-0.79901636	0.04529994	-0.6482585	-0.41602406	0.110285915	0.68692774	0.002515435	0.669448	0.05840925	0.23021641	0.32609007	0.9971608	0.15474379	0.34219265	-0.5864094	0.34285948	-0.42672968	-0.30023023	-0.012698738	-0.667564	0.085644424	0.2149496	0.46888322	-0.21951406	-0.6003701	0.60075754	-0.23623544	-0.49922258	-0.43557784	-0.05399362	-0.43293062	-0.77733356	0.36410025	-0.26252937	0.001962391	-0.15685141	0.70203286	0.15335177	0.6123526	-0.061870478	0.39391395	-0.48837584	-0.19944064	0.9846575	0.33916768	-0.4499387	-0.3171125	0.60665727	0.08818734	0.13294134	0.2892821	-0.14562759	1.0000002	-0.63983357	-0.966954	0.20951056	0.99923825	-0.15880746	-0.8093894	-0.9999306	-0.48355612	-0.72668844	0.46490568	0.20515317	-0.44546896	0.6262986	-0.8307434	0.32287025	-0.40735197	0.20810564	-0.48414257	-0.6683071	-0.23146132	0.040127393	-0.999974	0.9827135	-0.80839366	0.61391634	0.25509107	-0.3063639	-0.23064412	-0.33501422	-0.5411307	0.156781	0.22650991	0.24283296	-0.8806632	0.08895179	0.04767365	-0.87384826	0.25401554	0.24638899	0.08571688	0.1723979	-0.9998628	0.019062314	0.19139749	0.4526962	-0.5114485	-0.5416557	-0.6255316	0.67070174	0.35353738	-0.32150534	-0.20866892	-0.8589936	0.15907963	0.9262371	-0.39227325	0.4167998	-0.38468578	-0.28803587	-0.113096505	0.27872944	-0.75284785	-0.48085403	-0.44457087	0.1306979	-0.99209994	-0.487944	-0.43456507	-0.4924263	-0.4030267	-0.43998903	0.17978424	0.60351074	-0.091806285	-0.14151631	-0.028422287	0.9686506	0.49846578	-0.21547262	-0.16271608	-0.034674533	0.06844965	0.99962205	0.7863716	0.548172	-0.52407366	0.33892325	-0.69941086	-0.15688148	-0.9756733	-0.33929914	-0.061370563	-0.40149257	0.24925199	-0.06747389
311	0	CCCN(CCC)C(=O)SCC	0.18139616	-0.3637289	-0.021326073	0.095562465	-0.023897197	0.0226869	-0.46229458	0.11586648	-0.64285535	0.2063627	-0.8818082	-0.45210922	-0.54655296	-0.5337461	-0.15031867	-0.2827645	-0.18589152	-0.16967747	0.06496973	-0.050647687	0.21154119	-0.6053899	-0.070001185	0.2743271	-0.10995239	0.1688272	-0.10373052	-0.027353255	-0.18018416	0.007512636	0.43820485	0.49101076	-0.002782793	-0.6790765	-0.6244456	-0.8630772	-0.30300665	0.5710133	-0.21228346	-0.80038136	-0.99561036	-0.3194203	-0.056416072	0.616606	0.2808788	-0.99423933	0.28983188	-0.113059275	0.98203486	0.29554522	0.13597085	0.17424172	0.6628131	0.54231566	-0.8647099	0.019745285	0.6490999	0.95157695	0.4508989	0.17525409	0.29520687	0.11927239	-0.29437762	0.2540288	0.58398545	0.7216519	-0.44961086	0.29130146	-0.20173016	0.27858147	0.4420808	-0.9763878	-0.117137365	0.86829066	0.48983642	-0.26747966	0.3647576	-0.34070355	0.6359883	-0.9999173	-0.1621586	0.6527423	-0.06681832	-0.5755009	0.16562857	0.22249489	0.45076698	0.4677926	-0.29515806	0.20470072	0.60298425	-0.2617817	0.23033567	-0.09226115	0.9562044	0.194934	0.3415994	0.002062044	0.67869115	0.26452076	-0.44339788	-0.004846997	0.035631504	-0.7538061	0.9127512	-0.044880047	0.5208778	-0.45575994	0.98088324	0.008510394	0.038770955	-0.03153415	-0.22272667	0.3855999	-0.21924585	0.34058625	-0.3815156	0.30255577	0.9987341	-0.022938631	0.03994532	0.15564631	0.30016562	0.4129552	-0.5650494	0.55869645	-0.28663242	-0.16572706	-0.031678762	0.9990913	0.070178166	0.5411401	-0.37099493	-0.09702069	-0.3294338	-0.985861	0.04514987	0.35516348	-0.6913329	-0.7249925	0.99986506	0.32197317	0.9854703	-0.02810217	-0.52155596	-0.6489402	-0.2849688	0.13523108	0.98849136	0.059822086	-0.6465279	-0.6024243	0.36662105	0.18030465	-0.13051769	-0.35191768	-0.6359553	0.9985255	-0.7288678	-0.9168778	-0.97962296	-0.5025378	-0.49093387	-0.015170348	0.678488	0.17553373	-0.2153212	-0.4118627	0.34328884	-0.08514223	0.37531626	0.01122054	0.33514383	0.42558455	-0.5254504	-0.9644627	-0.796442	0.20686422	-0.17172259	-0.3004167	0.09135732	-0.41792756	0.12265281	0.109328866	-0.8917104	0.29076144	0.5843258	0.38713744	-0.69907224	-0.08118392	-0.5269589	0.59387064	0.2934196	0.2842312	-0.09087634	-0.75697964	0.67693716	-0.88673085	0.17103797	0.33743718	-0.24497497	0.13989931	0.62758344	-0.4257999	-0.15404432	-0.1534803	-0.20567249	-0.26061767	0.43761322	-0.94463474	0.09231893	-0.001080351	-0.2400394	-0.21177746	-0.1985685	-0.36348385	-0.6279573	-0.6748705	-0.005373377	-0.118529044	-0.20045291	-0.47071397	-0.25097096	0.390671	-0.9356391	-0.23889053	0.65978813	0.34759355	0.27328297	0.28814256	-0.14623041	0.17627507	-0.19232926	0.6494105	-0.46736622	-0.12110635	-0.57235277	-0.553905	-0.43267527	0.3553777	0.77168924	-0.15494944	0.3564833	-0.22080204	-0.63763815	0.050288174	0.07333802	-0.5406322	-0.55893546	-0.122885235	0.628305	-0.9997943	-0.6589268	0.03813236	-0.16809857	-0.073875904	-0.21422277	-0.19464506	-0.36937603	-0.3212938	-0.5402498	0.24863456	-0.43451136	0.16007368	0.07806595	-0.1287873	0.294722	0.44681394	0.65537226	0.41225025	0.15429525	0.44031745	-0.22598502	0.3090618	0.2512377	-0.89038384	0.6204919	-0.5259304	-0.77092	0.66622084	-0.5692558	0.9988671	-0.47004858	-0.23032282	-0.22830874	0.121346705	-0.29081285	0.82147986	0.93558466	0.1282954	0.80544573	0.99917066	-0.65048724	0.88611865	0.44964507	-0.5839285	-0.99902755	-0.95396996	0.56807667	0.13214163	-0.804161	0.4976561	-0.09677919	-0.83493775	-0.3007145	-0.05817825	0.9950668	0.649328	0.084690906	0.15751359	0.29337436	0.22542979	-0.7892681	0.034992535	0.70759445	0.40403783	0.029561214	-0.6992185	-0.99996877	-0.3728974	-0.32050574	0.543859	-0.4681659	-0.6899367	0.36985812	-0.7290775	-0.04184552	-0.9594334	-0.6638206	-0.03826749	-0.20711021	-0.12614915	0.12145461	-0.49659255	-0.26806536	0.17511058	0.051857498	-0.11322427	0.35797545	-0.4332061	0.16394447	0.44599205	0.5192131	0.81629956	0.007946647	-0.4111982	-0.51418	0.3297157	0.000239592	0.9086461	-0.9938058	-0.37008	0.44354764	0.41931894	0.20405506	0.3566682	-0.09516992	0.99900985	-0.62596714	-0.78268397	-0.6485763	-0.8595822	-0.31205404	-0.098846756	-0.3402226	-0.007829676	-0.14855221	-0.15013954	-0.6764972	0.42911753	-0.4279322	0.14251606	-0.50929326	0.88490963	0.15305224	1	0.20635909	-0.19176698	0.4511517	-0.26512322	-0.620775	0.3481106	-0.27648365	0.71152836	0.7479658	0.21111447	0.40224603	0.29749262	-0.11359946	0.08025267	-0.23124139	0.24448068	0.16536888	-0.40821943	-0.6958589	-0.7996397	0.54833144	-0.5959579	0.6601099	-0.4941203	-0.8526895	0.14404741	-0.44596267	-0.17199983	-0.22880958	-0.27405033	-0.19912049	-0.37910837	0.34127757	-0.018287484	0.15108213	0.25810894	0.31689993	0.107837714	0.17356706	0.25498962	0.9999998	0.13297638	-0.7778424	0.027328666	0.9966736	0.045165885	-0.6930105	-0.9999638	-0.30498803	-0.41470298	0.251065	-0.26028332	0.23163961	0.38741842	-0.26055393	0.049118	0.48002744	0.24675803	-0.48444256	0.5087327	0.8167955	0.32910195	-0.9998001	-1	-0.9947448	0.17381033	0.3367751	-0.7507508	-0.12176876	0.28176367	-0.6258281	0.47188005	0.3044628	0.15845029	0.03912754	0.116101705	-0.28887835	-0.5907607	0.26913723	-0.19841117	0.39111623	-0.98776084	-0.9996537	-0.31461024	0.37082028	0.24711746	0.45790994	0.18116271	-0.9815262	-0.50560147	0.49495357	0.2332765	-0.17068551	0.048024468	0.22309749	-0.8480003	0.2241403	0.21295078	0.6330514	0.5048221	0.06931433	-0.17849742	0.21282054	0.020195954	-0.46849075	0.28824407	-0.5497613	0.30543807	-0.13343316	0.27717787	-0.6017845	0.4784349	-0.10450464	0.21133795	0.020602766	-0.43612495	0.09048679	-0.8424909	0.46112484	-0.6027455	-0.18925688	-0.15206434	-0.20826636	0.9995799	0.07435236	-0.5439771	0.25786614	0.015257631	0.3592688	-0.35294855	-0.19601624	-0.33083767	-0.05768952	0.2594228	0.6117909	-0.59532255
312	0	CN(C(=O)Cc1cccc2occc12)C1CCC2(CCCO2)CC1N1CCCC1	-0.88632476	0.34960175	0.036686637	-0.004698102	0.072989106	0.1800947	0.4233771	-0.21527493	-0.01257969	0.66650903	-0.02882624	0.4490921	-0.31762397	0.12820788	-0.45871246	0.8195592	-0.6510803	-0.021059815	-0.036817804	0.28396606	-0.48518318	0.03716074	-0.22197181	-0.3549309	-0.6793962	0.22881785	-0.23351657	0.48643115	0.11853313	0.42161447	-0.22476394	-0.28693554	0.4577406	0.30650863	-0.111954615	-0.06228222	0.2718399	-0.1577103	0.99958456	-0.44125456	-0.67154866	-0.35074374	0.01271046	0.20592332	0.48291555	0.5634657	-0.23118496	-0.011032144	0.38521108	-0.49068078	0.0338286	-0.5939105	-0.3849165	0.34856716	-0.062786296	-0.44198707	0.41698962	-0.84576976	-0.31687066	-0.08724252	-0.64471966	0.65512455	0.19757314	0.20979044	0.601077	0.05042781	-0.79173553	-0.14467041	0.70222	0.67351246	-0.9851368	-0.89383173	0.42017788	0.46471983	0.38163963	-0.23890851	-0.19997637	-0.32047802	0.38407895	-0.9995663	0.34608725	-0.63599473	-0.923207	-0.52412933	-0.6616487	-0.93806785	0.29540363	-0.55257976	-0.4107897	0.24344765	0.58370763	-0.056405455	0.6591488	0.119863085	0.9963502	-0.36466017	0.7378286	-0.24394086	0.11102209	-0.5765812	0.3226327	0.6321183	0.5932096	0.9931409	-0.9993868	-0.33258486	0.3370746	-0.47138336	0.97196925	-0.26014376	0.13185447	-0.14803691	-0.44638515	-0.44816166	0.26798102	0.24068694	0.24535576	0.05504016	0.8056678	0.6140618	-0.09111304	-0.17583059	0.3967234	-0.28710103	0.59214205	-0.39053705	-0.013603424	0.27174535	0.00068244	0.99967384	-0.056468632	-0.019025449	0.4992123	0.12700169	0.29917574	-0.99576277	0.42405438	-0.20509024	0.36199608	-0.7673908	-0.9999999	0.08894588	0.309218	-0.54013526	0.55855525	-0.2702569	-0.16648147	0.8105192	-0.9959123	0.13673183	-0.5004113	0.10513796	0.5732882	-0.36006466	-0.18843561	-0.6511733	-0.5078173	-0.94671935	-0.40430167	-0.96503764	-0.017533293	0.033633355	-0.6139769	0.19382527	0.24758777	-0.43711218	0.0772873	0.1728179	-0.048440047	0.14591974	0.17020285	-0.3457623	0.64286774	0.1257137	-0.109182894	-0.90241194	0.9182677	0.7788948	0.07011559	-0.8026577	0.6749896	-0.48620686	0.56010866	-0.46035227	0.6878173	-0.44987923	-0.33306322	0.65446067	0.52301425	0.3810404	-0.65173656	0.10918693	0.05426672	0.3850707	-0.02856573	-0.7351851	0.19190884	-0.95752114	0.4417748	-0.03053975	-0.31004462	-0.10475395	-0.6166647	0.47156888	0.15881531	-0.034472626	-0.25820467	-0.782795	-0.012068381	-0.9999145	0.30139875	-0.5084028	0.42372417	-0.5152608	0.061293967	0.291866	-0.038053114	0.14612949	0.02407298	0.6223196	0.09160709	0.16837968	-0.62351	-0.15616383	-0.97570646	-0.037601575	0.40654007	-0.5298366	-0.4542488	0.23427624	-0.19932231	0.26039603	-0.3387428	-0.3548969	0.37482634	0.5326453	-0.23723046	0.09440807	-0.020162616	-0.26864925	0.8719149	-0.09463553	0.01543818	-0.071147196	-0.25599152	0.5810132	-0.027482677	-0.18105857	0.52534115	-0.08636398	0.023230262	0.6629387	0.13887855	0.017418088	0.19676691	0.32415232	-0.6638122	-0.13285404	-0.33425218	-0.17710756	0.12631315	0.4380835	-0.68072176	0.33269045	0.04582613	-0.7293469	-0.4383654	-0.47387898	0.8897939	-0.3129313	0.044804256	0.9976125	0.6466638	0.42470115	0.62353706	0.058069076	0.9413942	-0.7559651	-0.72196674	0.3426882	-0.467285	0.9715992	0.284672	0.20391327	-0.7748648	0.7145708	0.02182864	0.9628694	0.9627415	-0.020906685	-0.5463971	-0.25578967	0.106632	-0.8158847	-0.24413185	-0.11583421	1	-0.9821308	-0.07142822	0.63292044	0.6752653	-0.31100103	0.15742058	0.21857727	-0.03234145	-0.7118947	-0.9988052	-0.3394228	0.80480295	0.27677822	-0.142798	-0.6260034	-0.018175595	-0.767782	0.6444259	0.36564755	0.32200298	-0.5384043	-0.9999655	0.22909652	-0.013341892	-0.30779594	-0.4506276	-0.08787159	0.24831213	0.18029325	0.22432572	-0.55895704	-0.77396077	-0.011324854	0.5590079	-0.34757206	0.7268212	-0.17693594	-0.6047932	0.39215374	0.19949432	0.22221372	0.5174405	-0.2081757	0.32386214	0.26026505	0.4997563	-0.06716715	-0.46201426	0.6061619	0.7422418	-0.3305596	-0.5505732	-0.9704067	-0.61882794	0.50953376	0.43757853	-0.27501968	-0.25150865	-0.68948543	-0.70565814	0.9993956	-0.42673492	-0.80328876	-0.53944945	-0.055365525	-0.5988953	0.14768381	-0.44556844	0.4383187	-0.3310365	-0.047263745	-0.19663441	0.41772676	-0.052824527	-0.47133803	-0.33862147	-0.57872385	-0.13838813	-1	0.52602583	0.28244957	-0.20174187	-0.16528547	0.75237674	0.77485967	-0.26428974	-0.2523774	0.5056777	-0.028278425	0.03584151	-0.052432075	-0.06127214	-0.8912019	0.010815645	-0.16121097	0.2382996	0.17770244	0.43709543	0.5232632	0.7634139	0.3511972	-0.2792577	-0.6933216	0.90341055	-0.51128876	-0.547858	0.43385002	0.11826599	-0.67351574	-0.15045024	-0.8276236	-0.38982403	0.6513088	-0.006539169	0.003221895	-0.062300786	-0.22272171	0.029477173	0.24865483	0.99999976	-0.5666862	-0.98815566	-0.80235153	0.9950469	-0.15490887	0.20712641	-0.9999755	0.26859054	-0.895156	-0.6082893	-0.5089791	0.32996967	0.13307998	-0.3347838	-0.5575792	-0.19806543	0.2588791	0.76027304	-0.66554904	-0.65198535	-0.5366525	-0.9998367	1	0.845311	-0.052088942	-0.535671	-0.4370328	0.26286688	-0.32777125	0.34283248	-0.3600984	0.10659196	-0.4517812	-0.21914661	-0.0680875	-0.2021419	-0.24171972	0.057451718	-0.63897663	-0.72713625	0.9732289	-0.99874115	-0.36805955	0.40204272	-0.047078744	0.1338467	0.6607313	-0.88072354	-0.51257664	0.01139204	-0.1168842	0.17956863	0.07405559	0.17045887	0.8427349	-0.5513864	0.86345303	0.2144079	0.45365673	0.12137136	-0.028073566	-0.43787462	0.41622078	0.61220735	-0.44707412	0.24417014	0.31010386	0.4398012	-0.26727423	0.29550067	-0.4063858	0.043232553	-0.8692399	-0.25058708	0.68934876	0.08416036	0.9997241	-0.6361327	-0.5086771	-0.31583524	-0.41856575	0.4000519	0.9986528	-0.2156015	-0.29971507	-0.26028958	-0.44719207	-0.6196876	-0.48762965	-0.9994942	0.4897478	0.11962673	-0.30796087	0.4635864	0.2142296
313	1	O=C(O)C1C2CCC(O2)C1C(=O)O	-0.76237833	0.25082308	-0.90525204	0.14531802	-0.050449334	-0.58918256	0.45734224	-0.17160545	0.42802694	0.5868139	0.6648016	-0.20386596	-0.4147835	0.19690837	0.076257646	0.65449655	0.02981578	-0.23753995	0.6926826	-0.14461118	0.38601124	-0.77118164	0.2750158	-0.4973269	0.3283714	-0.08061177	0.022196174	-0.04740339	-0.24566193	0.3928804	0.13599469	0.23518534	-0.23198631	-0.029973874	0.39536917	-0.688014	-0.4581473	-0.46864483	0.76157266	-0.2696743	-0.91879576	-0.8260727	0.48640874	0.29826006	-0.34044594	-0.9927018	-0.1950872	0.26642883	0.62502867	-0.020370122	0.16104716	0.5908136	0.2577684	0.8446437	-0.7787581	-0.5694543	-0.1743232	0.82989496	-0.21099488	0.13892958	-0.29994595	-0.03001655	-0.03483912	0.003318245	0.53200614	-0.08125841	-0.48518276	-0.2029537	0.41053382	-0.5336677	-0.23608164	-0.9991044	-0.17473862	0.93626857	-0.7339821	0.7028667	-0.1825085	-0.25335446	-0.22000481	-0.9996764	-0.6675572	-0.48986584	-0.17639974	-0.24013048	0.34412387	0.93358415	0.57170415	-0.13508849	-0.07747832	0.08793707	-0.36165282	0.23314022	0.5534567	0.2732041	0.9983569	-0.38386384	-0.7812014	-0.6289009	-0.22111739	0.045827784	-0.007894523	0.052021448	-0.52188474	-0.1921435	0.49585545	-0.07773368	0.41470256	0.19066575	-0.99926555	-0.6089081	-0.51189727	-0.62139916	-0.118020624	-0.7517597	0.32340536	0.5879485	0.16501841	0.11548915	0.99973905	-0.089946225	0.23481931	0.110475466	-0.7424806	0.51315594	-0.3316814	0.05494321	0.046652157	0.36789218	-0.13192178	0.9607385	0.008436494	-0.59740454	-0.19890288	0.22698848	0.027400395	-0.2534586	0.15057041	-0.32821664	0.52827203	-0.101358995	-0.9982563	-0.3529853	0.7843371	0.07620518	0.5849465	-0.009523214	-0.42739505	-0.2657121	0.96305186	-0.05365203	0.055788476	-0.6391223	0.66646725	-0.02317041	-0.2211521	-0.46798295	-0.71314484	0.9965102	-0.5283346	-0.50655895	-0.99359435	0.5816604	0.34580836	-0.12917934	0.05547728	0.20506357	-0.2673189	0.6321089	-0.04287869	0.34129754	-0.6049564	0.23360491	0.049513906	0.14815149	0.33037877	-0.97715604	0.75701195	-0.4966621	0.36451748	-0.55252755	-0.28708974	-0.9970354	0.5697881	0.5113118	-0.01520281	-0.006644677	0.61372596	0.18994652	0.30909994	0.49499625	0.6538197	0.16194138	0.026109159	-0.045294378	-0.5011956	-0.43000284	-0.07260337	0.62667865	-0.34122178	0.07420587	-0.5251297	0.2104108	-0.4576994	-0.00259908	0.37824845	0.7136523	0.18047294	0.735956	0.27945504	-0.995511	0.20436306	0.28351793	0.53130394	-0.6254468	-0.6473222	0.08512055	0.3445838	-0.09626306	0.416313	-0.71360344	0.51202995	-0.2977245	0.003958152	-0.16753525	0.9999707	0.43852794	-0.65923506	0.46803242	0.005540539	0.3040077	-0.26261264	-0.21289952	0.48639408	-0.092634134	-0.68201166	0.09278839	-0.22080913	-0.17370552	0.30217084	0.1792378	0.835916	-0.4016201	0.7824006	-0.28338492	-0.39425826	0.3660329	-0.073522426	0.4235561	0.19039428	-0.37388027	0.66217935	-0.965529	0.10552678	-0.395891	0.24740396	-0.37251863	-0.5200328	-0.2477616	0.48434177	-0.3025738	0.33298615	0.13004401	0.13799213	-0.52922857	-0.5649391	0.4277112	-0.36778134	0.740732	0.65607536	0.4511369	-0.062052634	0.6702894	0.6772766	-0.3643985	0.3104961	0.752813	-0.7184002	-0.5135652	0.096447796	-0.15131323	0.11800726	0.99951434	0.23462953	0.36862284	0.25383297	-0.06854481	-0.47907448	-0.91450894	-0.7861013	-0.07692229	0.03313773	0.99921143	-0.22642429	0.68167037	-0.64612067	0.33968312	0.9999061	-0.17289522	0.10821747	0.6145249	-0.12966946	-0.26473048	0.5013189	0.075062566	-0.6826495	-0.028226608	0.9691621	-0.26042715	-0.44893312	0.7826505	0.001490249	-0.6503416	-0.39315978	0.09391947	-0.88910615	0.5345564	-0.14031054	-0.44504896	0.91731054	-0.19917858	-0.21552041	0.1522854	0.265939	0.17315297	-0.14926109	0.32110938	-0.4619819	-0.62538683	-0.14947082	0.17589074	0.71602464	0.3748851	-0.39831007	-0.44629723	-0.6417724	-0.9488768	-0.047557935	-0.58049375	0.25166917	0.6278782	0.67412543	0.094701715	-0.004405563	0.5547845	0.43070945	-0.49912363	0.34229183	-0.24950457	-0.28479287	0.77684295	-0.98762274	0.13600543	0.05813554	0.19858356	-0.20758772	-0.033799067	0.05422157	0.9997043	0.05286719	0.89924943	0.017385885	-0.120400704	0.4394451	0.032181423	0.7038597	-0.48389646	0.000674568	0.5167487	-0.2672405	-0.31699234	-0.30373558	-0.6408679	0.24514948	0.74432635	0.21284881	0.99106467	0.55188876	-0.20856547	0.50419307	-0.061992202	-0.85847473	-0.58071536	0.00951825	-0.021612348	0.11631578	-0.044876844	0.46632147	-0.24255118	0.42696837	-0.80389065	-0.36133918	0.0892284	-0.5013349	0.48163563	-0.23317784	-0.48830938	0.30890483	0.8285306	0.87496966	0.6491305	0.5818243	-0.14624491	0.5427274	0.4311097	-0.08953749	-0.15222389	-0.45896435	0.049847994	-0.7487361	0.28392345	0.007394813	-0.09341467	-0.3361862	-0.27143598	-0.056423455	0.26743498	0.88431567	0.098152645	-0.8116328	0.11278763	0.99946404	-0.25533992	0.07572538	-0.9293309	-0.05930088	0.43580666	0.2991802	-0.24955992	-0.24962986	0.5596088	0.2895185	0.7076222	-0.27694464	-0.07134822	-0.17769003	-0.3039521	-0.5693843	-0.6556403	-0.9999845	0.99306446	-0.9928066	0.13865185	-0.28529817	0.8489341	0.055905648	-0.42075253	-0.7271578	-0.43216878	-0.512037	-0.12050929	0.17583272	0.005347912	-0.27135473	-0.46161076	-0.6172	-0.6712928	0.035647053	-0.974454	-0.9999697	-0.6379418	-0.6140362	0.06408285	-0.28171667	0.19243711	0.23292094	0.099921204	0.2713424	-0.09346951	-0.078215145	-0.35705206	0.279553	-0.21423045	0.41671982	0.68967474	0.039928295	-0.7939692	-0.16192058	-0.48612985	-0.17771551	-0.37695092	0.21802059	0.84424406	-0.7629103	0.3603611	0.12356839	0.09262533	0.01713837	0.14431112	0.09805746	-0.8361609	-0.6164852	-0.658508	-0.3894295	-0.2683503	-0.09174148	0.2776413	0.041220006	0.3455529	-0.16929877	0.99988014	-0.28575227	-0.23953699	-0.3148455	-0.8276741	-0.3411889	-0.12859711	-0.83529425	-0.6365971	0.048253465	-0.033969563	0.82869816	0.5101991
314	0	CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1	0.43292955	0.4059003	0.6663121	0.33607933	0.07784319	-0.6113055	-0.2565017	0.28379846	0.41179466	-0.32113057	-0.5774762	-0.34469143	-0.35472333	-0.35447654	0.7228991	0.16103387	-0.45207348	-0.13835478	0.41411588	-0.44408086	0.43962452	0.2626966	-0.32752806	-0.44428995	-0.15857838	0.68030024	-0.3379557	-0.19594356	0.2085088	0.78019094	0.7297528	-0.41359404	-0.41175026	0.09628901	-0.03495833	-0.24203484	0.28182787	0.8196592	0.9996693	-0.7144201	-0.599126	-0.10057718	-0.05082679	-0.3678906	-0.51480323	0.84976625	-0.46253517	-0.3979164	0.979511	-0.59887975	0.6690064	0.3129118	-0.4989366	0.7655066	-0.5170769	-0.63866466	-0.44315892	-0.88250387	0.16679056	0.30890685	-0.18526603	-0.38567865	0.42078838	0.28355905	-0.14285344	0.27515164	0.33803016	0.53404784	-0.33554754	0.28555492	-0.61555016	0.58513004	-0.36093712	-0.112604596	0.8017154	-0.24478342	-0.3621077	-0.5872887	-0.6865956	-0.9990984	0.377223	-0.55398035	-0.9540297	-0.13659276	-0.03331042	-0.98430204	0.024076404	-0.1852786	-0.15351322	-0.31297264	0.3437764	0.34449157	0.52101225	-0.26147845	0.99821377	0.19775452	0.86345744	-0.10702638	0.6620081	-0.47310695	0.561191	-0.66378456	0.42919704	0.98865473	-0.99971634	-0.3481035	0.14782609	0.2185099	0.9720276	-0.37739712	-0.5548743	0.4067054	-0.23688547	0.9240621	-0.1254878	0.15758416	-0.44946504	0.7068321	0.71854913	-0.24656303	-0.7052559	-0.41740373	-0.3177128	0.2876856	-0.62613076	0.01578161	-0.3771425	-0.3887097	0.19553187	0.999966	0.06785056	-0.062052317	-0.10186468	0.816816	-0.35962614	-0.99089193	-0.23366177	-0.5356512	-0.4465375	-0.2246088	-0.9999829	0.45998415	0.52524143	-0.0735904	0.14124614	0.29195824	-0.41373238	0.07102827	-0.99886614	-0.07577728	0.51954687	-0.7398213	0.56858116	0.79025865	0.01351256	-0.086880885	0.31890604	-0.96126854	-0.83334804	-0.93172824	0.41117826	0.08663663	-0.22849627	-0.21518861	0.43465313	-0.6903609	0.1733679	-0.25905502	0.1975445	0.046793286	0.64115113	0.3513394	0.16225748	0.5672543	0.3194084	-0.9016214	-0.70167404	0.48808482	0.06043889	-0.12063955	-0.14357206	-0.8639266	-0.4543186	-0.049126398	0.7162408	-0.44169435	0.14406693	0.22473744	-0.067555994	-0.22602251	-0.67047536	-0.15957512	0.31987005	0.1754843	-0.44408175	-0.62121695	-0.21702899	-0.5473631	0.6436152	0.19919896	-0.1170166	-0.37567022	-0.32842577	0.10688312	-0.153153	-0.54123	0.42425132	-0.24613309	0.31340483	-0.99993646	-0.025795132	-0.18903577	-0.33014083	0.1165865	0.027501537	-0.12640102	-0.07732873	-0.2547096	-0.028999424	-0.5558713	0.671223	0.54437745	-0.8077854	-0.47014326	-0.9879118	-0.27490512	0.23371723	-0.40055293	0.4425486	0.45037138	0.063163444	0.17648053	0.55400145	0.24105996	0.79980874	0.22602968	0.73788303	0.31536135	0.5984204	0.21907948	0.87640435	0.33391058	0.17862655	-0.862534	0.76127183	-0.72805953	0.7680385	0.016529894	-0.05123409	-0.10170752	0.41858885	-0.7481662	0.040597092	0.49610224	0.57265204	-0.3234522	-0.693391	0.6724615	0.77339375	-0.18688518	-0.37855873	0.16649964	0.37963223	-0.5117376	0.45309082	0.70744884	0.062079385	0.5261485	0.91549015	0.39601222	-0.19478656	0.9972515	-0.067524634	0.058237027	-0.5794333	0.2525023	0.24509785	-0.5753569	-0.21597245	0.056977384	0.10949992	0.9526457	-0.066968635	0.14897858	-0.48842627	0.18978989	0.37748396	0.9596541	0.28648522	-0.64342314	0.4525837	-0.42347687	0.19621907	-0.24978293	-0.15195656	-0.8727847	0.9999983	-0.9973382	-0.26804453	0.7686718	0.14188133	0.05820878	-0.8024556	-0.23723452	-0.06378081	-0.7051601	-0.9989183	-0.48596826	0.94080395	-0.014743947	-0.3330453	-0.23510318	0.52902776	-0.32831374	0.44550171	-0.5637074	-0.31209347	0.19514228	-0.9998861	-0.1789692	-0.5819628	-0.094589286	-0.36515784	-0.8247181	0.17300747	0.37342978	0.46020436	-0.9367247	0.4098291	0.44862533	-0.37144366	-0.58274126	0.29495692	0.7030591	-0.71505964	0.95732045	-0.011100341	0.22409672	-0.116675295	0.67623174	-0.07514712	0.091455385	-0.1648781	0.28791866	-0.37559915	0.13975495	-0.503857	0.3946898	-0.17907701	-0.9807502	-0.4356834	0.72208077	0.112333186	0.7402094	0.37667593	0.46970254	0.86660194	0.9996085	0.25279552	-0.09111315	-0.27775195	-0.3008561	-0.012082946	-0.698423	-0.98032916	0.18830346	0.07526959	-0.36987656	-0.480149	-0.35766232	-0.19361705	0.19046962	-0.30563805	-0.29334003	0.11542051	-0.9953776	-0.41462776	-0.065750636	0.58630395	0.037741713	0.1839266	-0.010013157	-0.10047143	-0.6648606	0.03675634	0.508952	0.49688867	0.5953912	-0.2134416	0.27306354	0.63170093	-0.017247668	-0.03296695	0.40063736	0.69734406	-0.44856378	-0.86814654	-0.52127224	-0.67666334	-0.55095077	0.6503419	0.22959909	-0.00779888	0.27067187	0.2632978	0.18298419	-0.36050373	0.07048703	-0.47301728	-0.39686462	0.07090393	-0.13893454	0.15011215	-0.13584498	-0.08959831	-0.14151113	0.9999996	0.25032917	-0.97058487	0.12398268	0.9984372	-0.7043935	0.16790284	-0.99991363	0.20551161	-0.79937035	0.5104281	0.1388436	-0.19636825	0.2575844	-0.011097373	-0.91836333	0.012873044	0.7451224	0.5631756	-0.28577748	0.48877278	0.12508775	-0.9998103	0.9999995	0.8195642	0.20607065	-0.47799566	-0.5022225	0.23929521	-0.43031302	-0.42939213	-0.44570205	-0.31338388	0.5154607	-0.9141162	0.33316666	-0.78555083	-0.2620994	0.37178078	-0.077156715	-0.33895698	0.9888986	-0.9976126	0.35819054	0.040939104	-0.4205418	-0.3747775	0.28297907	-0.90993816	-0.23223557	0.47676998	0.24897078	-0.43498248	0.014727295	0.56355476	0.9732681	-0.17871846	0.060260087	-0.12502393	-0.28404105	0.089675575	-0.41728508	-0.85543376	0.017603448	0.09141592	-0.6849206	-0.9174345	-0.3635405	0.41228387	-0.43942112	-0.41391018	-0.20069918	-0.2754648	0.70614964	-0.20989053	0.630486	-0.5336677	0.99969643	0.28322	-0.24448426	0.037364952	-0.086001545	0.43102753	0.9999367	0.60785717	0.26579556	-0.024378765	0.04600253	-0.44033176	-0.75156116	-0.99861807	-0.5263173	0.397842	-0.06420808	0.43297035	-0.054473884
315	0	CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O	0.2411027	0.043460574	0.31855625	0.45864934	0.43462747	-0.22856581	0.51531345	-0.1536678	0.033350214	0.35988477	-0.82676274	0.18818663	0.38826424	-0.33754078	-0.20662402	0.7710381	-0.042211484	-0.6894036	0.584012	0.056839664	0.043971945	-0.23887509	0.06426073	0.13716725	-0.20175883	-0.290089	0.104484715	-0.40999442	0.2840046	-0.47092575	0.042713657	0.22703768	0.32312217	0.46025786	-0.3650586	-0.2296457	0.0748275	-0.6236645	0.99720603	-0.8009831	-0.8836649	-0.25837693	-0.41154757	0.3077449	0.52764577	-0.8420038	0.33545664	-0.2007424	0.9811545	-0.54536796	0.5612952	-0.03395519	0.37449357	0.21910079	-0.8865408	-0.35541788	0.14839427	0.5322346	0.2624105	-0.045669444	-0.43899268	0.28202572	0.5567994	0.39173254	0.5986678	0.59184587	-0.58771646	0.19862835	0.32022026	0.59986466	0.027965708	-0.7102585	-0.49494973	0.6756725	-0.04971938	0.68157	-0.54820716	0.20437491	0.44450688	-0.9998126	-0.7758442	0.04157034	-0.9257525	-0.34520772	0.30968627	-0.89628094	0.4734076	-0.3457925	0.03461843	-0.39974257	-0.22276844	-0.06050935	-0.025555221	0.30675712	0.9884088	-0.39722425	0.5638568	-0.39198807	0.1368388	-0.21051776	0.36210707	0.07140614	-0.68908495	0.86950696	-0.96552473	0.50712794	0.3336231	0.42840913	-0.9344601	0.12482124	-0.3552192	-0.4024451	0.41972676	-0.42910933	0.6020707	0.08663564	0.21625757	-0.038095314	0.9921962	0.7979237	0.13354437	-0.29692873	0.08679577	-0.4798271	-0.17524792	0.115138195	-0.1362092	-0.37835342	-0.2392861	0.99991006	0.22093591	-0.123730086	0.21004039	-0.012302626	-0.276313	-0.8395463	0.73045075	0.42898834	0.19297713	-0.6443515	-0.99979705	-0.14501758	0.9300031	-0.38465634	-0.16481368	-0.32612726	-0.6202673	-0.24849038	-0.67589474	0.28018844	0.51699996	-0.81428504	0.8594462	0.31931475	0.31743312	-0.6675796	-0.82024807	0.5969404	-0.34134984	-0.27087763	-0.9148485	0.004094246	0.45676374	0.16963403	0.6848949	-0.11088204	0.26242578	-0.3256321	-0.43526244	0.5318185	-0.5391566	0.068310715	0.39313734	-0.17080384	-0.5368917	-0.9778293	0.68476105	0.42867094	0.23768468	0.018218005	-0.023588974	-0.59131294	0.780909	0.4897275	-0.16582963	-0.02928345	-0.01853512	-0.18941726	0.010575998	0.5358136	-0.4468223	0.3183363	-0.375706	-0.08490267	-0.003755589	-0.14647289	-0.39194837	-0.6963392	0.21727556	-0.17690577	-0.3515266	-0.1061438	0.32012734	0.022809634	-0.036593493	0.5001125	-0.16932638	-0.7289549	0.22796792	-0.99990475	-0.36087838	0.19028403	0.19776143	-0.7763178	0.38493454	-0.449401	-0.13693123	0.6272768	-0.5791373	-0.38660023	-0.37003505	0.57169414	-0.795609	-0.43100712	0.99437755	0.49439675	-0.36056748	0.3578499	-0.2589489	0.70588934	-0.25230432	-0.82454395	0.42593858	0.07026745	0.27018446	0.09528764	-0.69830006	-0.03484124	0.29813537	0.0490321	0.81770736	0.22418839	0.9099764	-0.51708585	-0.56980073	0.62258345	0.08867937	0.13547568	-0.1511591	-0.6818159	-0.24564078	-0.34889644	0.06382896	0.20289794	0.23689683	-0.66079354	0.28543058	-0.18660557	0.05194206	-0.17148188	-0.6178841	0.69530296	-0.3359247	-0.8416029	0.6380357	0.1872905	0.19149768	-0.8322076	0.42521194	-0.20955011	-0.091918014	0.99171627	-0.029419981	-0.3334904	-0.343271	0.62290436	0.10222146	-0.5152964	0.33670822	-0.1956009	0.110958606	0.997793	-0.09906922	0.5103179	0.11607776	0.01949674	-0.07599252	0.6918396	-0.37807742	0.33701968	0.038937923	0.9685087	0.25660926	0.25855985	0.55709404	0.6714592	0.9999934	-0.996443	0.72559935	-0.0858448	-0.24161915	-0.39785624	-0.3478738	0.13139777	-0.6839711	-0.99116874	-0.6720871	0.16788505	-0.4201227	0.042447135	0.5984817	-0.62951905	-0.27380782	-0.48541456	0.5930107	0.43989053	-0.119519845	0.33228257	-0.9107464	0.39361948	0.5697691	-0.30586067	0.03519869	-0.6144625	-0.52988356	-0.277717	0.028773548	-0.88108766	0.11602482	0.27525792	0.42673412	0.0169854	0.68522125	-0.5762092	-0.0675411	0.7219443	-0.047134474	0.060458273	0.52083224	-0.061004464	0.06271652	0.12079705	0.68689984	-0.08974497	0.03969002	0.7385374	-0.54662275	-0.48243517	-0.04623674	-0.5141248	-0.97433144	0.6508971	-0.18672472	-0.23102479	0.53307545	0.5780873	0.4085043	0.9995564	-0.42916432	0.21843186	0.21885878	-0.19378817	0.1263608	0.6271449	-0.92540044	0.124388546	0.40328965	0.3335414	0.36534446	0.07791122	-0.15779562	-0.31129804	0.6795532	0.5460579	-0.20031783	-0.999987	0.46871424	0.7452687	-0.26669797	-0.08524826	-0.66625065	0.36824098	0.21330251	-0.58287466	-0.4460484	-0.26079795	-0.18293186	0.2644497	-0.29577583	-0.84149194	-0.11907798	0.3257642	-0.117245674	0.23040378	0.12938957	0.45873606	0.05573856	-0.23368248	0.64248914	-0.29469436	-0.32729304	0.028433941	-0.26166448	-0.34655806	-0.005260793	-0.79374695	-0.5828963	-0.4984598	-0.38170317	0.46837178	0.022935148	-0.5641444	-0.19452551	-0.07638115	-0.09314037	-0.3489787	0.9998171	0.045288887	-0.98497474	-0.23498894	0.99871224	-0.5223902	-0.2991842	-0.99931675	0.67177117	-0.25332338	-0.34319398	-0.47095037	0.33752316	0.5493434	-0.598515	-0.797686	-0.21870682	-0.099032514	0.42022684	0.28144032	-0.2562199	-0.025290985	-0.9999179	1	-0.6710955	-0.1117733	-0.53366673	0.9438088	-0.70220304	0.00609026	0.7433505	-0.15995042	-0.30046183	0.21234123	-0.52550447	-0.22293319	0.07643421	-0.67527443	0.4865651	0.16571258	0.47588754	-0.082904704	-0.9997999	-0.8460902	-0.32823026	0.54489285	0.25129157	0.48153722	-0.9720323	-0.09024523	-0.576508	-0.31764692	-0.082495585	0.5929098	0.33449414	0.708562	-0.1346921	0.57861507	0.18391912	0.3808647	0.16636038	-0.15719348	0.3418433	0.09820534	-0.38585463	-0.5633321	-0.9375375	0.4525663	-0.44739285	0.3429484	-0.6895349	-0.72226787	0.2224621	-0.89357364	-0.4570952	-0.5824526	-0.05599716	0.97650427	0.05962569	0.59681606	-0.64786434	0.5815155	0.13643546	0.99995035	-0.1372827	-0.56674254	-0.2509291	0.39754578	-0.29603636	0.27979606	-0.9945453	-0.00707622	0.23249748	-0.04877573	0.7681607	0.29098696
316	0	C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	-0.07436506	-0.2880038	-0.003452197	-0.611611	-0.44260246	-0.6566708	-0.40092856	0.562849	0.37093902	-0.28694633	0.40944314	-0.26522097	-0.3624374	0.79361546	-0.7096385	-0.79187703	0.4328521	0.11382638	0.27103546	-0.022995476	0.29950452	0.3635435	0.13997114	0.8020476	-0.051455606	-0.2082588	-0.4623011	-0.47592708	-0.30276334	-0.54453886	0.16922744	0.24604529	-0.5341577	0.6211011	-0.29697433	0.3934295	0.04057105	0.7385825	0.998585	0.2821038	-0.9613237	-0.013926079	0.29980522	0.1868637	-0.703938	-0.52971756	0.19287996	0.5401594	0.8875001	0.32359958	0.6581872	0.30368856	-0.6728759	-0.47500938	-0.5916064	0.03484156	-0.7153318	-0.7525724	0.027365679	0.2549475	0.16105329	0.6457962	0.19260164	-0.44468388	-0.37605906	0.48072314	0.70613545	0.21714315	-0.4304314	-0.25340602	-0.6668368	-0.8704402	0.39222953	-0.56485826	-0.13761412	-0.44209784	0.08877768	-0.37305897	-0.3461227	-0.9996992	0.9121097	-0.4328419	-0.89726967	-0.2274859	-0.025954532	-0.67012304	-0.2880502	0.27518812	-0.6803823	0.60526025	-0.3368986	0.31231046	-0.004429479	0.252863	0.99983585	-0.41087475	0.40265384	-0.22563869	-0.38323465	0.012348791	0.4743203	-0.19514307	0.14892885	-0.5815356	-0.99023896	-0.74911964	-0.31092262	0.25264108	0.99359965	0.08846233	0.69819415	-0.07718859	-0.6059732	-0.6317218	0.5202408	0.30452108	0.7235167	-0.060592066	0.9950208	-0.5182779	0.18071777	-0.51833034	-0.6110777	-0.52147496	-0.6388611	0.23609339	0.097731434	0.50296026	0.5724862	0.9994874	0.30732402	0.26097286	-0.35942575	0.039284844	-0.68974805	-0.9905633	0.6474674	0.36822084	-0.8546308	-0.7718907	-0.9978815	0.19699334	0.27677885	0.12924069	0.20894168	-0.31714058	-0.47707233	-0.14056098	-0.7643588	-0.252235	-0.7014409	-0.26915684	-0.565137	0.43138385	-0.77374166	-0.44913393	0.4288019	-0.181725	-0.9410335	-0.8398084	-0.7834027	-0.5685111	-0.051657718	0.5244574	0.15505365	0.7788678	0.07934697	0.41965082	-0.0378658	0.5507675	-0.20245014	-0.06146527	-0.3498506	0.028191483	0.5231882	-0.62524414	-0.8220308	-0.28356594	-0.010190594	0.5489469	-0.08728865	-0.99708575	-0.7418768	-0.6833118	0.7169893	-0.37118652	-0.5129019	0.33236527	-0.8143235	-0.8172782	0.08258589	0.26005095	0.2538914	-0.50879383	-0.47980317	0.64608365	0.73209476	0.8758354	-0.07544094	0.3972899	0.25472534	0.8040302	0.2968465	-0.21756119	-0.30525354	-0.79224724	0.2946394	0.10204866	-0.100792766	-0.999224	0.13494757	0.40940228	-0.002377716	0.5380492	-0.42730197	0.7714893	0.3866485	-0.47777036	-0.6027904	-0.69374996	-0.37466988	-0.4614744	-0.12803534	0.55570894	-0.98440206	0.46247026	-0.3041919	0.64188063	0.2518966	-0.76878566	-0.3492321	0.7036163	0.6458175	0.3804718	-0.39965975	0.509176	-0.34423563	0.15063533	-0.3565152	-0.05186856	0.4636132	0.5653903	0.4261063	0.17343776	-0.32999837	-0.061785717	-0.5937665	-0.2851432	0.19111721	-0.1364004	-0.66163146	-0.9977628	-0.20363863	0.003254767	0.49496925	-0.26783833	0.07623028	-0.6939932	0.019490048	-0.42051396	-0.60919875	-0.17052346	-0.74485874	0.042038724	0.52160454	0.38471213	0.30019754	0.40436098	0.92512685	0.34261078	0.7443403	0.97452253	0.5202818	-0.053097654	-0.44054544	-0.712858	-0.773363	-0.68427986	-0.9126939	-0.5480819	-0.059235115	0.99407	-0.011523209	-0.7046682	-0.08050587	0.44238994	-0.25237843	0.8937296	0.9724311	-0.26414347	0.18272233	0.8710423	0.46995968	0.9647295	-0.4682896	-0.7793398	0.99884474	-0.9683587	-0.73096794	-0.57032007	0.35441822	0.88454026	-0.8049992	0.11098092	-0.51788884	-0.25790524	-0.9145671	-0.05974845	-0.05353452	-0.1384531	0.038200866	0.29303873	0.13477284	0.077859975	-0.91695815	0.30895185	0.30235747	0.56285715	-0.99998415	0.65669674	0.2898518	-0.11968084	0.79300094	-0.7490073	-0.18912786	-0.50493246	0.039636064	-0.8911853	0.08735843	-0.6170631	-0.7070642	-0.48625982	-0.7007667	0.08140438	-0.7607888	0.031958885	-0.04826518	0.51944286	-0.4991323	0.7973877	-0.16124187	0.823829	-0.10854973	-0.51782924	0.546154	-0.1161587	0.78144354	0.06573563	0.36844242	-0.74756104	-0.83994704	-0.29556432	-0.081848584	-0.29479653	0.35578963	0.2563688	-0.13650174	0.9996882	-0.56390804	0.16014735	0.39439735	-0.37372473	-0.68098533	-0.06474825	-0.71174705	-0.17909391	-0.51547694	0.22785312	-0.3262982	0.35921377	-0.53826094	0.001923996	0.4401176	-0.20186986	-0.097445704	1	-0.4371977	-0.3920313	-0.72793436	0.65636945	-0.31707078	0.15945865	-0.34980762	0.07105543	0.68740225	-0.09190971	-0.17130564	-0.35662386	-0.60020155	0.70130855	-0.39085478	-0.5367965	0.022876019	-0.20022488	0.33837593	-0.9550725	0.56443846	-0.7215373	0.82205296	-0.08798563	0.92529124	0.38596955	-0.13540144	-0.5015805	0.5841458	-0.38072416	-0.14501637	0.9974748	-0.18539901	-0.09131325	0.7499679	0.5491014	-0.57823324	0.68788314	0.69720274	-0.5235944	0.9999998	-0.055786677	-0.9175795	-0.5187472	0.99958885	-0.8320213	-0.35275286	-0.99995446	-0.13009548	0.011126747	0.75306	0.25443873	-0.42958885	-0.58970255	-0.01103524	-0.50448245	-0.181836	-0.33152747	-0.2824568	-0.10867046	0.12852845	0.23307066	-0.99994993	-0.9962855	-0.7639657	0.4433185	0.23700298	-0.2085432	-0.6386043	-0.68630475	-0.85745555	-0.87450796	-0.5304287	0.73135173	-0.81740654	0.6803539	-0.3403371	0.62788975	-0.4928064	-0.3423592	0.2561621	0.64501745	-0.99987775	-0.08175748	0.00556351	-0.08082635	-0.026586456	0.23289742	0.12456492	0.7358591	0.49687672	-0.8662122	-0.29018274	0.38185385	0.78334546	0.9465559	0.39221928	0.40663528	0.5132598	-0.15358835	-0.53905445	0.4079721	-0.24004748	-0.7527672	0.05839335	-0.1329955	-0.12543014	0.3510272	0.08899983	0.39577493	-0.7479187	-0.04068602	-0.16925788	0.8873777	0.07531094	0.34407938	-0.06758047	0.9822887	-0.17027162	0.21131857	-0.7262083	0.4554644	-0.5456515	0.9984431	0.5666512	-0.16816883	-0.8692579	0.36235592	-0.14297685	-0.22326346	-0.98235613	-0.23770219	-0.55190426	0.48540193	0.62828153	0.002991302
317	0	CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1	0.98401576	0.75352365	-0.4303517	0.018041203	-0.7334808	0.43617514	-0.5423823	0.16824387	0.08264729	0.07113531	0.5662059	0.01519747	0.41078633	0.6277443	-0.36261487	-0.14166366	-0.79993135	0.5699131	-0.47427782	-0.18192637	0.6545796	0.39372835	0.49670678	0.52955	-0.4627551	-0.3303881	0.26793408	0.18744531	-0.63255167	0.2007595	-0.061647262	-0.54554635	-0.75218254	-0.17956543	-0.13963513	-0.72009164	-0.57560396	-0.20420133	0.9996277	0.64420336	0.050112747	0.37432954	-0.1251915	0.08088551	-0.5438385	0.68485254	0.20647421	0.3707886	-0.6045792	0.6803413	-0.14409545	0.5396709	-0.20865135	0.053812467	0.67975295	0.6166022	-0.41529992	-0.92843723	0.37174824	-0.11396234	-0.20988177	0.2029974	0.32872736	-0.33494854	0.28347272	0.38979053	0.21717948	-0.6938661	0.28784412	-0.29035747	-0.99389625	-0.99981356	0.65592486	-0.5364158	-0.88208765	0.3828176	-0.5577506	-0.35370022	0.45270297	-0.9991935	-0.3302548	0.110015996	-0.9180797	0.2250832	0.6807893	0.55826396	0.71976036	0.31630015	-0.5407594	0.31361505	-0.08048491	-0.2028373	0.26272598	-0.004314704	0.9999975	-0.38313428	-0.9396767	-0.160498	-0.7315202	0.7510083	-0.18014954	-0.33506534	-0.017355056	0.7965342	-0.9990437	-0.9977189	0.5402213	-0.57801867	-0.99998784	0.33254117	0.10199942	0.1545331	-0.8850732	0.3742758	-0.23882444	-0.16708764	-0.36394832	0.15525515	0.9344727	0.022179069	-0.43721682	-0.53548735	0.37654868	0.46930796	-0.36113045	-0.7990416	-0.59473443	-0.004977598	-0.20416792	0.4684599	-0.49827433	0.46141294	-0.015857393	-0.47577122	0.07915412	-0.970641	-0.7788578	0.1348116	-0.59827614	0.8010501	-0.9999914	-0.59997386	-0.96598023	-0.43712613	-0.08700514	-0.18362501	0.0935513	-0.5317638	-0.9952107	0.59262383	0.41551405	0.91750103	-0.48438713	-0.49022263	-0.59500027	0.61154747	0.53467256	-0.9120595	-0.7740934	0.9357165	-0.03283588	0.30171826	-0.0906701	0.080901094	-0.6135394	0.07259317	-0.5117298	-0.20653075	-0.053098053	-0.29939842	0.17172977	-0.26407087	0.08455586	-0.73274046	0.5835496	0.55494815	-0.40589234	-0.29869774	-0.82102686	0.124446824	0.64499825	-0.99998707	-0.4376416	-0.63515335	0.92327595	-0.29612333	0.31045595	-0.47347	-0.7243062	0.20665577	0.93865967	0.3970986	0.01853852	-0.28449976	-0.44866532	0.1751933	-0.12965666	-0.73320377	-0.6821403	0.15917167	0.7669701	-0.18070966	0.43880746	-0.4279552	0.2656682	-0.1952899	0.93186116	0.31940064	0.62955517	-0.9999024	-0.15078521	-0.7307964	-0.043088146	0.38439468	0.5391945	-0.5252425	-0.5925343	-0.6810795	-0.013327981	0.59269977	-0.3094627	-0.48272124	0.75532824	0.5566678	-0.96604633	0.15288967	0.11904401	0.8134244	-0.050226305	-0.03591775	-0.4152339	0.33874217	0.06521622	0.3181469	-0.16193897	0.40304247	-0.3771894	0.2277622	-0.71653754	0.51222724	0.9245289	0.17439811	0.09210352	0.07683248	-0.26412976	-0.44575328	-0.13937485	0.2812036	0.14168645	-0.076796286	0.051177826	-0.9777749	-0.7118397	0.33949792	-0.49356177	-0.41320932	0.19333874	-0.001544198	-0.13864686	-0.07010588	-0.46269932	0.121227175	0.51044565	0.037070226	-0.019473536	0.6000312	-0.48038343	0.5430134	-0.66467035	0.08512379	0.73890966	0.9943971	-0.43186328	-0.55251205	0.5237485	-0.96331084	-0.17070556	0.95860016	0.76976526	0.81022537	0.23512977	0.9529294	-0.6889849	-0.739877	0.07635267	0.14657946	0.023942022	-0.98044634	-0.999903	0.07521595	0.8253355	0.2774154	-0.2833847	0.6028366	0.84575695	0.21855247	0.99996674	0.8341963	0.42047024	-0.2445365	-0.6740728	0.6573451	-0.7981382	-0.15172268	0.74153715	0.9612827	-0.99596536	0.30661646	0.79235476	0.04237896	0.32556158	0.010134472	0.021771364	-0.15125276	-0.99283284	0.062735654	0.34958485	-0.2585822	0.99995327	0.07865206	0.3362719	0.24933682	0.33346578	-0.65473205	0.51520556	-0.3807922	0.09546929	0.46514285	0.28274322	-0.010019572	0.5394709	-0.056036565	-0.61050284	-0.51844686	-0.18463238	-0.9895728	0.22541085	0.07515215	-0.37416878	0.03652696	-0.05182646	-0.13721895	-0.40226805	0.6583549	0.45382977	-0.6774231	0.74791914	0.4625565	0.62388563	-0.98263705	-0.08742366	0.010489571	0.5739941	0.20995378	0.3515747	-0.53392786	0.00936663	0.9993611	0.6832248	0.7265202	0.418312	-0.045334574	0.44399586	0.6458049	0.5976382	-0.6217807	0.41755006	0.005625195	-0.010243949	-0.542199	-0.3086504	-0.47782415	0.591287	-0.9066887	-0.63734514	0.9903259	-0.29613066	-0.2745534	-0.5777657	0.018508619	0.59040624	0.7122577	-0.4170463	0.60648924	-0.069230445	-0.11662313	-0.4559473	-0.21201538	0.015149305	0.6621057	-0.17130567	-0.62299675	0.39718652	-0.124707274	0.072824284	-0.8524183	0.2782015	0.65740544	-0.61250234	0.91653734	0.9997832	0.59374994	0.68385047	-0.47556037	0.27811924	0.25571808	0.38983417	0.8758417	0.28780696	-0.5864438	-0.5767619	-0.5613024	0.42832994	0.11828126	0.50387186	-0.6409595	-0.8963572	0.023890696	-0.85535866	-0.6695309	0.998374	0.74088037	-0.39432156	-0.75032276	-0.2979767	-0.8881083	-0.079161264	0.2957999	0.21878272	0.46473584	0.49661347	0.9235827	-0.79065025	0.5101761	-0.664532	-0.6084103	0.33089158	0.17493676	-0.99967587	0.99683625	0.36533785	0.25365275	0.21003298	-0.63941705	0.52491194	0.57642156	-0.89474684	-0.48092812	0.26609325	0.5501657	-0.04770581	0.10213711	0.41805044	0.44340554	0.027142106	-0.23521538	-0.33848172	0.83984035	-0.99861616	-0.60097396	0.18361312	0.124875925	-0.1636128	-0.6354299	0.9969903	0.7734772	0.81089926	0.1594924	0.14970626	-0.14559199	-0.53502554	0.9689903	0.65199995	0.2757085	0.004389848	-0.71797997	-0.33024836	0.5143782	0.036868434	-0.6614023	-0.84609115	0.98148453	-0.45337102	-0.05112157	-0.004324467	0.3795679	-0.05300588	0.7600325	-0.6789776	0.76212496	-0.43442014	-0.22764641	-0.5272854	0.99923104	-0.12231691	-0.041716672	-0.35250705	-0.29139027	-0.7994878	0.9999773	-0.13848612	0.5012069	0.32738492	-0.1288597	0.16201814	-0.02020615	-0.9990392	0.64815426	-0.9719893	-0.64334005	-0.5130316	-0.8017085
318	0	NCCO	-0.51013225	0.4726151	-0.32165685	0.59802085	0.31874517	-0.29099047	0.030743027	0.2838563	-0.7237943	-0.42125443	-0.20971665	-0.71565187	-0.64924335	-0.59425646	0.14735252	0.3999278	0.101859376	0.11226858	0.10327183	-0.18494703	0.31087714	-0.81568384	0.3233394	-0.38974777	0.048629433	-0.03729809	-0.1099446	-0.14282376	0.06644879	-0.44807193	0.058336142	0.21742037	0.57379335	-0.22534575	-0.2592317	-0.6076921	-0.6135788	0.78101426	-0.90251225	-0.5632845	-0.70882624	-0.44635105	0.56500757	-0.57895243	-0.059262294	-0.9118158	0.47641987	0.32485506	0.57802236	0.018681528	0.060140725	-0.2425084	-0.33434594	0.120132424	-0.59816515	-0.2740192	0.7141619	0.8091785	-0.08827138	-0.016553996	-0.12346374	0.17877302	0.06949009	-0.51491237	0.24977145	0.27339065	-0.042143464	-0.59585005	0.17108408	0.029294748	0.22974436	-0.9984826	-0.156938	0.81813747	-0.46030676	0.5996134	0.08570765	0.3468346	0.8084557	-0.96827066	-0.7847821	-0.011666162	-0.06726269	-0.32055295	0.31327134	0.9564454	0.76532185	-0.1424818	0.03025838	-0.33374444	-0.026467586	-0.3381545	-0.25982907	-0.49050218	0.6821835	-0.44027573	-0.9614618	-0.39759848	0.37340128	-0.16228794	-0.013896219	-0.4389833	-0.2767714	-0.9025107	0.9418087	0.45604673	0.16132809	-0.13724743	-0.9994724	0.6023761	-0.5222678	-0.05575708	0.59341955	0.60351807	0.03414696	0.17966881	0.50741833	0.05801209	0.9722523	0.3786543	0.5083255	0.228063	0.16322964	0.18902883	0.26758924	-0.13854164	-0.77048695	-0.09704965	-0.462644	0.7457739	-0.22891907	-0.49902725	0.2967175	0.568446	-0.20531239	0.9549595	-0.31984434	-0.3167955	0.37472838	0.016270641	0.95331395	0.34053612	0.7876866	0.4739635	-0.2605154	0.35509452	0.6758913	-0.36312565	0.9560231	0.45488274	0.030352362	-0.35569233	0.6405618	-0.2566678	0.09592513	-0.63325113	-0.25944698	0.95820796	0.4086811	0.7005804	-0.8896083	0.5844493	-0.12672456	0.25230542	0.5291709	0.3214712	-0.12540261	0.6353997	-0.5150975	-0.3057943	-0.2991323	0.6054132	0.07976031	-0.51605815	-0.41027898	-0.8169488	-0.33539304	-0.64287835	-0.08902475	0.07922851	0.21919712	-0.7162902	0.004589588	-0.32321462	-0.029130714	-0.06891162	-0.037891995	0.3857453	0.072647616	0.30242565	0.41729248	0.2792435	-0.53742784	-0.37375137	-0.036937177	-0.36923054	0.009584965	0.44531235	-0.2895668	-0.21885155	-0.7843093	-0.23171377	-0.42261896	0.27270234	0.4263663	-0.35994497	0.1387897	0.4131826	-0.4156198	0.9258557	0.23197691	-0.57856333	0.17679462	-0.49564478	0.031341147	0.76164	-0.2861061	-0.14141683	0.7872316	-0.114251256	-0.34009033	-0.06471363	0.4875157	0.32344726	0.9999956	-0.29031542	0.005624706	-0.2599824	-0.2679448	-0.65740556	0.45351106	-0.4370122	0.33799818	0.38963324	0.4624406	-0.81328785	-0.35788736	-0.23548615	-0.23117675	0.28244975	0.7161945	-0.4577962	-0.43609226	0.25511685	0.35336307	-0.22195545	0.37780544	0.24087797	-0.4283333	0.23986414	-0.046529587	-0.99225277	0.2441227	0.416884	-0.27273753	0.2383703	-0.1010293	0.20966208	-0.14229657	0.18462615	-0.5833382	0.53654397	0.0809422	0.20324323	0.42667094	0.19218841	-0.16012411	0.6376559	-0.99517006	0.566492	0.3118686	-0.8413579	0.08418482	0.33616063	0.36413404	0.9709038	0.061905503	0.123074464	-0.12610596	0.56485975	-0.110084146	0.9856405	0.038844086	0.67650443	-0.44262588	0.720883	-0.37371156	-0.95367706	-0.9457311	0.06155773	0.6680485	0.9659463	-0.13673675	0.7633101	0.2694776	0.46264738	-0.9221476	0.818622	0.5418804	-0.37960497	-0.1298086	-0.17960398	0.12134848	0.047956053	-0.13836993	0.45240712	0.9883408	0.31241572	0.06678551	-0.33999938	-0.37859958	0.02955926	0.5585538	0.05083356	0.51609343	0.4149567	0.22823542	-0.51669294	0.9570886	-0.18196748	-0.14247373	0.5106979	-0.28716666	-0.07962214	-0.5733806	-0.52183795	0.5062939	-0.038771633	0.30770645	-0.25377777	0.033250876	-0.39203638	-0.15716663	0.6350462	-0.15234892	-0.723337	0.02778246	-0.4376525	-0.24238679	-0.543955	0.37464437	-0.37783337	0.024216603	0.09273998	0.26291004	0.047602486	-0.12080954	0.60547644	0.65937173	0.85605216	-0.86524725	0.024843808	0.5112069	0.22582683	0.2770316	0.54298675	-0.030878551	-0.9589069	-0.0834135	0.6079984	-0.31037894	-0.17277291	0.58523273	0.18373372	0.18249877	0.6074391	0.01262227	-0.7026912	0.1612096	-0.40458584	0.20593265	-0.05291307	-0.20497955	0.7244127	0.18270989	0.99999976	-0.082639866	-0.03563684	0.07350183	-0.54564774	-0.6149227	0.19519244	0.122598685	0.32281104	-0.07242763	-0.34827283	-0.7624623	-0.074887894	0.006147054	-0.1877673	0.13781103	-0.4272359	0.19120075	-0.24175632	-0.37216252	0.08338557	0.13317633	0.9014806	0.59844023	0.75956255	-0.39363292	0.3861338	-0.6072677	-0.38063407	0.13257866	-0.18301012	-0.04972851	0.3414032	0.37450117	-0.49340412	0.43263307	0.6808607	-0.07572674	0.4974736	0.56140834	-0.44270673	0.7169462	-0.1344796	-0.0699477	0.26793146	-0.69013304	-0.25672084	0.001557672	-0.87793845	-0.10374312	0.41660336	-0.21723674	0.432914	-0.62159747	0.31938365	-0.23770157	0.94281924	-0.14153218	-0.4019415	-0.26014495	0.12960123	0.18330769	-0.16354585	-0.9985467	-0.9998687	-0.94017226	-0.6972732	-0.011029013	0.72330093	0.4945235	-0.37789145	-0.016756954	0.25780484	0.5944649	-0.4286736	0.14054434	-0.46778452	0.28101507	0.37634674	-0.21221146	0.047128648	-0.5203149	-0.9320078	-0.9987463	0.39888608	-0.5139286	0.18112569	-0.644553	0.6210364	-0.1463286	-0.42223173	0.08041298	0.5095658	0.011601187	-0.011070864	0.13684615	-0.7052275	0.56459403	0.79524994	0.7719309	0.55775005	-0.014024023	-0.3695629	-0.4749265	0.7107916	-0.4227548	0.95119154	-0.7012599	0.4394082	-0.7584142	0.71113575	-0.18928932	0.06504836	0.56772035	0.001289225	0.4244567	0.05901974	0.27429354	-0.9666818	0.7743512	-0.35510907	0.39033556	0.58067465	0.17126489	0.7318868	-0.54002166	-0.54271364	-0.2518262	0.635212	-0.14774098	0.16630043	0.8874521	-0.13809872	-0.7125448	-0.6727945	0.43235034	0.056586936
319	0	CCCSP(=O)(OCC)SCCC	0.91798675	0.107134	-0.7505082	-0.2602021	0.63370436	0.24763481	-0.94609946	-0.02663161	-0.48121396	0.38722065	-0.89512813	-0.01173867	-0.5473523	-0.18125741	-0.08961541	-0.64737403	-0.3371374	0.14541264	0.41231567	-0.40163064	0.56396383	-0.12963209	-0.4224395	-0.11699629	-0.3394834	0.49705482	-0.5504557	0.14165652	0.29471305	-0.5022733	-0.18584344	0.011185848	-0.50780445	-0.32094726	0.47094434	-0.69974715	-0.026243422	-0.2130349	0.6932269	-0.85769486	-0.957759	-0.12307751	-0.058573294	0.63330805	0.05946565	-0.98401505	0.023791252	0.512413	0.99830836	0.46568438	0.22664711	-0.007314946	-0.14049073	0.34059128	-0.8650911	0.24019264	0.6192918	0.90883505	0.527872	0.34773937	-0.1869138	0.67718655	0.039664507	0.2028352	-0.20201765	0.735825	-0.4572734	0.014665265	0.10039596	-0.1612738	0.85635173	-0.80697286	0.091994636	0.8527977	0.10511256	-0.7625126	0.4916664	-0.49708366	0.039411306	-0.9993314	0.23308599	0.22932543	-0.20812653	-0.34111392	0.29996836	-0.33402893	0.098170415	0.6974707	0.39582512	-0.020662969	0.42960885	-0.6289234	0.051708523	-0.22143935	0.96712965	0.119468026	0.18491155	0.065150425	0.59943485	0.38290524	-0.33303812	-0.43230972	0.40089005	-0.77638996	0.68505025	-0.89579886	0.35100368	0.028497199	0.9967566	0.47719866	0.054694887	-0.24693447	-0.65378314	0.33406165	-0.13813157	-0.13181251	-0.54216135	0.33257467	0.9988806	0.11119818	-0.4115552	0.17090409	0.2889274	-0.14696857	-0.4276156	0.6171021	0.23344812	-0.71977174	-0.6441051	0.9994935	0.44064692	-0.047823194	0.22441171	-0.23668736	0.5273766	-0.97092116	-0.5075592	0.17452647	-0.44525802	0.1060986	0.9996232	-0.20870903	0.97490096	-0.552954	-0.45628724	0.036903474	-0.48766762	0.48048687	0.9330108	0.5366698	-0.143006	-0.8682793	0.27100295	0.03648636	0.18974514	-0.34290227	-0.68554306	0.997555	-0.90907127	-0.98365504	-0.960269	-0.67730117	-0.50505364	0.5401715	-0.13048008	0.3429826	-0.049691103	-0.15604866	0.3325969	0.010973041	-0.34959313	-0.011590086	0.6982604	0.118546404	-0.46768257	-0.8474964	-0.6204479	0.20710087	-0.69879353	-0.14411353	0.21213834	-0.8761807	0.71539813	0.2879216	-0.7594066	-0.11035814	0.5859028	-0.49713323	-0.4645801	0.041877765	0.0992369	-0.21375301	0.06349218	0.34071678	0.03988326	-0.28808016	0.46289438	-0.7471826	-0.05898497	0.12070152	-0.39479476	-0.4939392	0.4204853	0.21064712	-0.7027755	-0.20655385	-0.025389047	-0.55312407	0.32075533	-0.99269885	-0.38111028	0.365561	0.039289683	-0.18330824	-0.006120426	-0.10020552	-0.6936901	-0.25113556	-0.55619335	0.14833724	0.30956638	-0.10517011	-0.114795305	0.258935	-0.9833929	-0.036747914	0.52223927	0.18350339	-0.19587392	0.052348725	-0.6269731	-0.11791185	-0.2297223	0.08774923	0.2552887	0.35957965	-0.2453096	-0.5831609	0.058517084	0.5219271	0.83007187	-0.46368557	0.16818324	-0.05699732	-0.4095302	-0.31043145	0.32733884	-0.69893444	-0.48621064	0.13394636	0.55578035	-0.999783	-0.8123486	0.43538335	-0.382577	-0.6021943	-0.12144289	0.51155025	-0.537148	-0.3740674	-0.5754983	0.44641283	0.5527016	0.32196957	-0.4481725	0.021799508	-0.38631895	0.023481144	0.84143627	0.0239128	0.47785395	0.97687304	-0.59364974	0.35676432	0.49170196	-0.87409824	0.42389107	0.25568342	0.25750953	0.87292314	-0.22874746	0.99773973	-0.5511923	-0.017522238	-0.7387683	-0.26506516	0.39876935	0.71216434	0.8225746	-0.82093894	0.66994613	0.99900645	-0.3823641	0.9539271	0.64345586	-0.18819948	-0.9974325	-0.96889126	0.2947669	0.5721672	-0.6168703	0.61181617	-0.05054366	-0.17925087	-0.10499587	-0.34615982	0.99184793	0.26073566	0.10442515	-0.34162343	0.6877495	0.48405504	-0.19664338	-0.025597084	0.2807024	0.6645754	0.086951904	-0.56334424	-0.9999785	-0.40919808	0.27242914	0.54785585	-0.13613819	-0.9223367	0.8483915	-0.72857684	-0.20688903	-0.8280881	-0.0800659	-0.072442114	0.22402352	-0.10552205	0.47288957	0.018386768	0.23891589	0.68535334	0.46870342	0.19321963	0.6225753	-0.51045126	-0.07109579	0.15561365	-0.36671248	0.785688	0.50333494	-0.6125886	0.16998945	0.6683236	0.32310054	0.824621	-0.98647714	-0.63119006	0.49514776	0.50493246	0.09284017	0.38755637	0.070030466	0.9996166	-0.3834467	-0.000622062	-0.23374586	-0.52350634	0.5191996	-0.5998101	-0.36708915	-0.100728534	-0.2596768	0.25006852	-0.1306817	0.44387063	-0.005687006	0.3976917	0.2305228	0.72459507	0.19332562	1	-0.10600243	-0.003836594	0.20832594	0.44791737	-0.72441196	0.7539019	-0.4657349	0.52225894	0.8087432	0.6720908	0.24839097	0.6041404	-0.52798	0.3671496	0.14788228	0.20544146	-0.26591897	-0.7094562	-0.051502455	-0.88987064	0.42061588	-0.68120146	0.6221578	-0.40342447	-0.69565976	-0.07039833	0.09848692	0.12839006	0.37529588	-0.019978708	0.43375707	0.20145608	0.5064277	0.17457992	-0.51206374	0.7215383	-0.09637418	0.025133088	-0.037151426	-0.016060488	0.99999994	-0.4134284	-0.648661	-0.42497805	0.9974657	0.14932063	-0.6105073	-0.9999741	-0.28646913	-0.6090375	0.40014988	-0.24589753	0.47268128	0.059093453	-0.43813398	-0.07687937	0.04291585	0.778692	-0.63141274	0.4428044	0.15474075	-0.20756835	-0.9998404	-1	-0.99636173	0.48491955	0.36313206	-0.7492889	-0.14954415	0.7019771	-0.1703582	0.47693813	0.5842653	0.6570661	-0.36841395	0.0353243	0.11603001	-0.7261451	0.8309527	0.40761465	0.6340972	-0.9776853	-0.999268	0.34644878	0.30521336	0.5638159	-0.2091876	-0.30913803	-0.94663286	0.37317988	0.68826836	-0.019358203	-0.04793587	-0.8617492	-0.07503535	-0.7195649	0.5529255	-0.55642533	0.30613977	0.5767733	0.18880728	-0.34883854	-0.24036944	-0.23903884	-0.6767307	0.5262707	-0.9980543	-0.02135928	-0.5108204	-0.18091568	-0.3693637	-0.34583125	0.25297922	0.11034795	-0.042587027	0.60816586	0.3620203	-0.6600976	0.22362083	0.032467	0.27560213	-0.028599802	0.04062865	0.99974763	0.2014058	-0.62431896	-0.04914703	0.28302288	0.48019728	-0.13295363	-0.5162723	-0.3741093	0.33179662	0.1084425	-0.09944531	-0.13839872
320	1	CCOc1ccc2c(c1)C(C)=CC(C)(C)N2	-0.55612934	-0.74592626	0.3587009	-0.48447552	0.46278408	-0.10795885	0.43608192	0.3729456	-0.22140928	0.17021395	-0.5274482	0.22972292	0.46127397	0.6566289	0.4972555	-0.64908606	-0.30745265	0.30818614	0.2075442	-0.68961114	0.056892134	-0.7563462	0.120440185	0.25733817	0.68940085	0.51427245	0.26574576	0.3326948	0.03726791	0.021900058	-0.3751891	0.13719182	-0.18545179	-0.10939854	-0.27566174	0.483871	-0.048367403	0.7726701	0.9697106	-0.7976822	-0.9819583	-0.095101506	-0.72471946	0.113267414	0.32902962	-0.97088295	0.596389	0.09661951	0.77562636	0.42023525	0.47283512	0.1670089	-0.0572204	0.23337309	-0.9336564	-0.13409168	-0.3022864	0.7113579	0.48410383	0.12241751	0.11133477	-0.60682356	0.12497678	0.12084046	-0.2805433	0.6460736	-0.079832226	0.35817066	-0.10969541	0.6150722	-0.024668483	-0.8512306	0.35778698	-0.09840592	0.6693945	-0.63995504	0.043432932	0.044452697	-0.55430734	-0.9997008	-0.5635637	-0.012532613	-0.8517212	-0.49152505	0.54062754	-0.7133752	-0.54509676	-0.25027767	-0.39106125	-0.5136238	0.4328657	0.37860534	0.44070277	-0.009384874	0.9135181	0.10237206	0.7238491	0.28679562	0.35000595	0.6122066	-0.026885837	0.01968199	-0.30700937	0.00134425	-0.5466365	0.16723183	0.4141407	0.4329827	-0.93419254	-0.5827747	-0.07469934	-0.070461586	0.36858124	-0.35816753	0.4974198	0.2866548	-0.25650075	0.70584595	0.99870753	-0.37279865	0.082738236	0.45963112	0.1905669	0.58397824	-0.082257204	0.36862645	0.5359031	-0.016012033	0.29521486	0.9998321	-0.50851506	0.4917894	0.19378783	-0.10136989	-0.26012152	-0.98559237	0.0744823	0.72549975	-0.14238638	-0.26832286	-0.9998933	0.21752588	0.9887444	0.440771	-0.4160364	0.3967492	-0.20351511	0.5101761	0.7138276	0.17061234	0.5402529	-0.70904136	0.7409397	0.28071758	-0.5437008	0.59085065	0.24680538	0.9783312	-0.8049869	0.51298815	-0.978706	-0.64180684	-0.28060153	0.5660853	-0.07064926	-0.045296762	-0.062023222	-0.23929434	-0.072476976	-0.31166178	-0.5199585	-0.093806505	0.24562642	-0.042832963	-0.5453264	-0.9004674	-0.392433	0.38190424	-0.52687675	0.51792556	0.18468378	0.5211074	0.6237425	0.39017728	-0.5463577	-0.37317598	0.8253942	-0.27730837	0.6166218	-0.76245594	0.2912843	0.010727816	-0.17449829	0.59520954	0.1250281	0.068812646	-0.5293138	-0.30050457	-0.24662508	0.003991902	0.5319519	-0.021119675	0.15399979	-0.14748123	-0.087405175	0.37734765	0.43118444	-0.45267648	0.059133127	-0.99921256	-0.3089854	0.49167275	-0.08773981	0.30154428	0.3362681	-0.3842275	0.5076145	0.42819113	0.019333266	-0.0641438	0.5767161	-0.0922614	-0.6733178	0.038517088	-0.9582287	-0.15577176	-0.08589547	-0.19132438	-0.4106122	0.37599856	0.21932377	0.283572	-0.21775132	-0.3487402	-0.6449839	-0.4820554	-0.6484517	0.049649894	-0.22766712	-0.14420414	0.8268496	0.2873712	0.3369873	-0.32683992	-0.6291341	0.079545535	0.06341762	0.013247186	-0.43453476	0.33894506	-0.70804125	-0.9799914	-0.2402288	0.3744601	0.042071544	0.024625044	-0.40419	-0.579059	-0.3695866	0.62989724	-0.42389023	0.3130793	0.3742786	-0.20876849	0.032493778	0.074558616	0.14677697	0.67045975	-0.7836522	0.7979975	-0.7516081	0.9748502	0.21750027	0.12562335	-0.5809499	-0.7592654	0.84068954	-0.046440065	0.20069286	-0.39821234	0.7716967	0.9996045	0.095319524	-0.076217115	0.48383954	-0.09936017	-0.5701102	0.3796221	0.78301686	-0.23494622	0.23821983	0.9970778	-0.27155817	0.8009293	-0.028222976	0.4266524	0.9999517	-0.9928944	0.48661527	0.2533491	-0.051946755	0.002197824	0.5738667	-0.407052	0.16355382	-0.83955026	0.72595614	-0.04624638	-0.72012323	-0.110359974	-0.13083577	0.23875412	-0.47023416	-0.006680904	0.9246622	-0.2806163	-0.021313703	0.33817858	-0.97013336	-0.22523573	0.013539275	-0.17140144	0.7088416	-0.51902837	-0.32271692	0.19066606	-0.5113346	-0.9101265	-0.13546146	0.71167266	0.2277134	0.08832242	0.3947172	-0.62250865	0.006007021	0.7380075	-0.07835417	-0.35412842	-0.50335395	0.32069287	0.71904933	0.029386882	0.44311807	-0.46052775	-0.55417633	0.1856843	0.10766088	-0.40174985	-0.2510271	0.29029265	-0.992317	0.05371205	-0.6978129	0.29330963	-0.38850802	-0.32034653	0.35790032	0.99967414	-0.43543634	-0.7131925	-0.005584712	0.15349059	-0.39814886	-0.28054437	-0.87414503	0.13289979	-0.04988225	0.6468572	-0.49438065	-0.024852471	-0.46761033	-0.036603432	0.46854675	0.41247272	-0.2666887	0.99955004	0.59091735	-0.06442662	0.06775462	-0.20462652	-0.8268691	0.22769867	-0.038369868	-0.27734667	-0.34028155	-0.44389358	-0.016393198	-0.35224146	0.81506485	0.01664762	0.14917253	0.101927854	-0.5127642	-0.114766724	0.1696629	-0.30016336	0.039148703	-0.52170503	0.7811291	-0.5122014	-0.8997039	0.71813744	0.33381525	0.52559775	-0.4467532	-0.51517445	0.46514803	-0.7444023	0.20543283	-0.3440893	0.25399318	0.35500547	-0.6888557	0.20513111	0.3385109	0.5590955	0.99993104	0.03715916	-0.91366345	0.2963796	0.99989384	-0.29891375	-0.65266186	-0.9989375	-0.28910294	0.22337963	0.6178285	0.5608803	0.26421368	0.17334884	0.15461192	-0.31047097	-0.59640527	-0.010052932	-0.2937197	0.42041606	0.27605394	0.49011704	-0.9999824	0.99594426	-0.94744647	-0.37463638	0.32375082	0.6059123	0.73265153	-0.35427353	-0.5411804	0.1828248	0.46636945	-0.18665408	-0.7164513	-0.50158364	-0.13080418	-0.1377748	0.71727073	0.61747247	-0.20147632	-0.77032495	-0.99996084	-0.20848142	-0.23874672	0.22224198	0.5539468	0.053415123	-0.9922673	0.39272124	0.25929815	0.26880008	-0.2628565	0.34531394	-0.81097764	0.86424416	0.47960076	0.76807004	-0.121102735	0.534302	-0.20086196	-0.80158585	0.29046473	0.6849029	0.20067053	-0.3855773	-0.39551306	0.39150447	-0.3240095	0.3176354	0.31407076	-0.615628	0.24232076	-0.20557834	0.52994025	-0.43951237	0.15506494	0.6796467	0.06078887	0.50538546	0.045686383	0.48652005	0.1293505	0.9999186	0.258248	0.45013312	0.23438655	0.5005167	0.30663937	-0.31435746	-0.929366	-0.007963592	-0.015681012	0.19022372	0.18899804	-0.055064227
321	0	CCSC(=O)N(CC)C1CCCCC1	0.07042776	0.37334177	-0.25679564	-0.2727243	0.37960446	-0.20966901	-0.585476	0.5065281	-0.54839253	0.061931532	-0.501056	-0.3242236	-0.26446143	0.003617185	0.29052266	0.23108676	-0.3300017	0.019588772	0.4577245	-0.44602495	0.3798176	-0.33353335	0.01539258	-0.30557668	-0.09739988	0.26782474	-0.29618874	0.009981999	-0.028537182	-0.19667245	0.3433165	0.3771567	-0.09626791	-0.18577836	-0.17168678	-0.5615535	0.5036135	0.17368549	0.5533926	-0.8471077	-0.98955923	-0.69949335	-0.67574215	0.6575735	-0.11141866	-0.98754454	0.0951477	0.49240798	0.9599703	0.27465782	0.33511856	0.038894422	-0.13973548	0.36422983	-0.83149636	0.27830392	0.106448956	0.91999406	-0.004494074	-0.042038683	0.040107775	-0.08599977	0.086801335	-0.1552725	0.15017891	0.2704971	-0.28033328	0.38404885	0.036365483	0.29285407	-0.16843201	-0.9319625	0.033007573	0.83142656	0.48389193	-0.10521937	-0.14124738	0.1801991	0.44552234	-0.9997972	-0.04006408	-0.17458954	-0.07972061	-0.0000772	-0.05753878	-0.27045333	0.63335615	0.4062178	-0.3306315	0.28531152	0.62376964	0.31275943	-0.006322225	0.15282594	0.9475947	-0.29639736	0.4335583	0.43025205	0.08689183	-0.050274234	0.14857227	-0.24830562	-0.09288412	0.49979514	0.56928915	0.02742769	0.36911744	-0.06452798	0.98844403	0.22177239	-0.14418146	0.35761133	-0.46167648	0.17036904	-0.6056222	0.13006565	0.2750792	0.56845725	0.9988283	-0.28691807	-0.6356317	0.4906913	0.29518083	0.30109212	-0.101974726	0.44688755	0.05337534	0.46981716	-0.007841779	0.99947965	0.5462221	0.59477854	-0.39419228	-0.6057932	0.43790284	-0.97636503	-0.20113929	0.19109268	-0.3161134	-0.7564137	-0.9961957	-0.04872798	0.984141	-0.09983905	-0.14854306	-0.35839978	-0.3691908	0.1392263	0.9645819	-0.07630991	-0.43754816	-0.4275225	0.45184597	0.6106427	-0.5100167	-0.25957128	0.099775866	0.9968757	-0.5387199	-0.8997445	-0.980666	-0.41779757	-0.50550854	0.07046642	-0.65432745	0.19453266	0.20906107	-0.70205194	-0.21453886	0.015347957	-0.006197202	-0.50129974	0.12291233	0.58915687	-0.37269035	-0.9296301	0.8824682	0.063842274	-0.0992114	-0.26016316	0.33599684	-0.20070276	0.07921395	0.51536655	-0.86617154	-0.40321046	0.14578906	0.49671245	-0.15624037	0.22170313	-0.71430117	-0.5289244	0.5689544	0.6539086	-0.41105694	-0.43624347	0.35366943	-0.84516317	0.62507784	0.4844742	0.32821336	-0.5302582	-0.07273609	-0.6191555	-0.29217556	0.24870172	-0.12580816	-0.18728934	0.066095956	-0.99493307	0.043064024	-0.11658147	-0.20467383	-0.105577916	0.25412986	-0.5689836	-0.5116112	-0.71295583	-0.52459	0.09768039	0.15554753	-0.1809949	-0.44644114	0.08651774	-0.9449312	0.19628394	0.44869485	-0.014133997	-0.0828788	-0.04031684	-0.52854276	-0.589696	0.024276981	-0.5680074	0.017318243	0.15787868	0.11065155	0.20308055	0.020340078	0.41724384	0.78849274	0.2022461	0.48722938	-0.1441955	-0.4506189	-0.42722622	0.61214244	-0.70729	-0.64199555	-0.2918861	0.6117116	-0.9979857	-0.41407004	0.18287963	-0.34468606	0.62985474	-0.79156816	0.09268542	-0.23836206	-0.5550196	-0.28676295	-0.32666776	0.20348713	-0.31029952	0.022557758	-0.045799002	-0.13464805	0.33499303	0.6789717	-0.10035103	-0.007549343	0.8680487	0.002343665	0.28366497	0.15024304	-0.7133916	0.5600584	-0.79273003	-0.8215606	0.5813034	0.27811572	0.9990863	-0.40108493	-0.40374175	-0.74554014	-0.1430573	0.4580418	0.87823933	0.97562486	-0.388246	-0.3356836	0.9989447	-0.3137494	0.6233203	0.13599348	-0.7587539	0.9980695	-0.97782546	-0.12717634	0.32228172	-0.18719617	0.46529865	0.40711662	-0.26593494	-0.16502964	0.07293122	0.9724939	0.27578244	0.62632895	0.5160413	-0.23794787	-0.3329772	0.2266755	-0.28660488	0.7368008	0.057337902	-0.32738483	-0.03763131	-0.9999715	-0.37585464	-0.31502256	0.5675612	0.15892047	-0.5567912	0.30201703	-0.17383009	0.07496955	-0.9542184	-0.20791735	0.1072629	-0.20206259	0.001677228	-0.028601335	0.15021843	-0.26218557	0.39375702	-0.18274991	-0.8347616	0.5137949	-0.38831723	0.20231195	0.7764474	0.3644443	0.87918496	0.38107297	-0.14793013	-0.17000915	0.43452114	-0.1864648	0.7734523	-0.9929875	-0.5245554	0.70612603	0.096265346	0.14854695	-0.19235319	-0.15210062	0.9995607	-0.81704617	-0.3240413	-0.09806379	-0.07024856	-0.265038	-0.06171064	-0.5970878	-0.60036916	-0.23066589	-0.28815898	-0.6999607	0.5181932	-0.35959774	-0.23411345	-0.48505524	0.7930081	-0.18179914	1	-0.03753272	0.38144484	0.5059205	0.08727789	-0.45792064	0.3168553	-0.07639518	0.4029431	0.7353218	0.14933814	0.2634423	0.8397882	0.16588569	-0.24429812	-0.4315918	-0.1029604	0.30619678	-0.4429502	0.47962984	-0.57769895	-0.08706094	-0.6203714	0.47485363	-0.33119312	-0.8094136	-0.04653482	0.03854765	0.17480142	0.14038558	-0.015992505	-0.04863875	-0.35452566	-0.043123383	-0.24958727	0.07560368	0.4376701	0.32015726	0.38017416	0.28619763	0.11879672	0.9999999	-0.2583081	-0.7707915	0.06865915	0.9985353	0.32079542	-0.56012535	-0.99996483	-0.082664624	-0.30671817	0.33744502	-0.24003056	-0.40453088	0.49153444	-0.3490106	-0.35383326	0.27493772	0.34507206	-0.33155066	0.6549736	0.52719456	0.3128977	-0.99980265	-0.99896425	-0.9837327	0.16736452	0.6063908	-0.097913	-0.71141875	0.07858667	-0.493231	0.30678436	0.16027467	-0.14595425	0.44226763	-0.31112817	0.26256564	-0.44305104	0.546487	0.12674266	0.11456608	-0.944709	-0.9997754	-0.4836442	0.58019114	-0.25322676	0.4830985	-0.11398084	-0.9842757	-0.50774425	0.011263225	-0.25965285	-0.4339663	-0.46042585	0.1571807	0.7166063	-0.05913388	0.6856554	0.4475746	0.35926816	-0.10399549	-0.25773138	-0.42418784	-0.092511885	-0.46354693	-0.40563205	-0.4064358	-0.37809485	-0.03108012	0.011000176	-0.32145762	-0.24582766	0.26467007	-0.7755686	0.121760644	-0.062168095	0.3476926	-0.27272028	0.246508	-0.51663435	0.29191944	-0.2837994	-0.025486086	0.99952054	0.118544996	-0.25121132	0.20609114	0.5192311	0.5204752	-0.66536176	-0.76078874	0.02827578	0.20281981	0.058407772	0.48163125	0.2755931
322	0	CCOC(=O)c1ccc(O)cc1	0.36757755	0.005097918	0.009626943	0.46366137	0.50412613	0.13534194	-0.43715712	-0.12646908	-0.2068851	0.2964361	-0.28770405	-0.33816874	-0.3329987	-0.67433965	0.39181486	0.6151021	0.05563543	0.03893081	0.09739788	-0.15018131	0.43714976	-0.84421897	0.43798053	-0.042664547	-0.34231737	0.33008388	0.3772948	0.1393699	-0.097357236	-0.08303089	0.107765764	-0.10931717	0.06657962	-0.107019775	-0.05446652	-0.38831085	0.26881456	0.484911	0.04378118	-0.8909219	-0.998305	0.030097509	-0.006017039	-0.163318	0.17805678	-0.99511886	0.3211354	0.025046155	0.9854574	0.20036855	0.523658	-0.011994735	-0.13097222	0.3343432	-0.9042009	-0.124174975	-0.34954834	0.9544886	0.4770089	-0.0796719	-0.25486755	-0.520249	0.3540171	-0.3884845	0.16037174	0.68442035	-0.023774736	0.30481493	0.04887749	0.1972129	0.6561919	-0.9978989	0.21202907	0.31181747	0.30183983	0.7792451	-0.46781507	0.00167399	-0.28237414	-0.99930644	-0.68133116	-0.17851502	-0.9055959	-0.39249492	0.25739205	0.6202257	0.18139972	-0.1670054	-0.33584714	-0.30776066	-0.18822567	-0.119529694	-0.32468906	-0.023356944	0.9626553	-0.32943332	-0.20590469	0.20031065	0.16707826	0.19784275	0.16387866	-0.21456002	-0.17999944	-0.21748929	0.9068771	-0.6163163	0.4571908	0.2845498	-0.8687125	0.49954242	0.30163428	-0.28256455	-0.38812432	-0.039460115	0.211984	0.28854644	0.21067894	0.37677947	0.99928343	0.07098609	0.101642884	-0.026735531	-0.14771935	0.37429085	-0.498599	0.016498381	-0.25271806	-0.48070863	-0.34818137	0.9952532	0.15022473	0.24918856	-0.34864452	-0.28028286	-0.5765805	-0.5252464	0.47216845	0.19491673	-0.6801135	-0.40363434	-0.9960389	-0.32018182	0.96137726	0.45991337	-0.057815585	-0.23777021	0.07929008	-0.2707186	0.9926834	0.14702158	0.14721277	-0.66412485	-0.045102723	-0.014608078	-0.45779964	-0.30200207	0.18553632	0.9989916	-0.36481735	-0.765861	-0.9949343	0.11019898	-0.1673353	0.077994674	-0.3389134	0.04095033	-0.00899808	0.5487653	-0.2837375	-0.21985966	-0.27276576	0.100715324	0.32597473	-0.2913334	0.018180365	-0.9781555	-0.77255565	0.043997217	-0.6878325	-0.21068142	0.6292792	-0.8930035	0.36674988	0.46972668	-0.8847209	0.08961528	0.7276156	0.41027737	-0.09053225	-0.20132577	0.62029654	0.22170945	0.39946103	0.15713148	0.087775074	-0.097605444	-0.006615104	-0.66064847	0.19769831	0.40634596	-0.57409894	-0.3237595	-0.31275004	-0.07247752	0.11324686	-0.10794333	0.43560505	-0.084063604	-0.17914592	-0.9274432	-0.28479657	-0.065901205	0.12305106	-0.40537995	0.10271339	0.28069833	-0.08626558	-0.06913038	0.12965366	0.15954854	0.027595265	-0.24677676	0.27121302	-0.220527	0.99928814	0.03192745	0.1457981	0.15458529	-0.00577479	0.058032293	-0.46572375	-0.101891905	0.46871096	-0.22290148	-0.14963953	-0.383584	-0.3428136	-0.19518699	0.2879649	0.33428803	0.8955609	0.058788896	0.15221769	-0.4805709	0.44786	-0.12105386	0.07977649	0.38122165	-0.57984275	0.123194195	-0.0898271	-0.99794054	-0.11095121	0.33703178	0.038131744	-0.13428725	-0.5427733	0.43339565	0.3475434	0.38183942	-0.23056585	0.3751396	0.3978181	-0.28507063	0.2264993	0.08427954	0.35267484	0.6606547	-0.44698185	0.16129938	-0.21789566	-0.8552309	0.2554828	-0.191219	-0.24497247	-0.39093885	0.47094464	0.55570346	-0.37626806	0.7035958	-0.11861677	0.99949366	-0.18711717	0.2699058	-0.07544319	-0.015449647	-0.022496443	-0.7606715	0.42527214	-0.10764082	0.3986469	0.9995644	-0.30772662	0.77147186	0.3829262	0.37900773	0.99816245	-0.6911658	0.20938942	0.069945455	-0.016471813	0.29661918	-0.3562401	0.4349282	-0.14650322	-0.37213075	0.99598414	-0.010342117	-0.09186885	0.19764103	-0.11454673	0.19389077	-0.2336865	-0.52436763	0.19264403	-0.05263852	-0.36085638	-0.19084513	-0.9823434	-0.28984705	-0.17981113	-0.055202253	0.20279042	-0.71606225	-0.08975566	-0.2050318	0.0690772	-0.89141303	0.16062574	0.06487057	0.19122572	-0.07430105	0.25196666	-0.45796868	0.037554026	-0.7200086	-0.07285043	-0.35785285	-0.40437457	-0.25743735	0.53966105	0.03409445	0.012488745	0.7983975	0.15721099	-0.067594275	-0.060493387	-0.14345291	-0.11078238	0.9340654	-0.9957601	0.022018537	-0.35454676	-0.37072343	-0.24210188	-0.24235515	0.5521927	0.99568844	0.23561904	0.23680122	0.18133469	0.4200415	0.13607891	-0.077508636	-0.46584323	0.11853399	-0.18503655	-0.47339952	0.016692627	0.4249428	0.10180571	0.26521876	0.0025968	0.94040173	0.521881	1	0.56407434	0.37375006	-0.15637843	-0.52473915	-0.8727412	-0.6362188	0.14812636	-0.25485498	0.16355391	-0.37143677	0.7278652	-0.03033057	0.022628611	0.58949345	-0.09621003	0.14271452	-0.19757126	-0.3439625	-0.26056585	-0.31993812	-0.026173688	0.38519898	0.64457417	0.6843396	-0.51936674	0.1665782	-0.3619052	0.3287296	0.009658141	-0.31877407	-0.57262987	0.112401776	-0.43501565	-0.22683167	-0.42390242	0.25585264	-0.3169445	-0.02021233	0.6724732	-0.24385029	0.9999619	-0.36055303	-0.98659414	-0.29438955	0.99937284	-0.17000964	-0.5546653	-0.9978293	-0.18716861	0.1828296	0.40691382	0.004574893	-0.463157	0.534054	0.47248206	0.7990634	0.20471413	0.3310795	0.021794315	0.020058421	0.17643858	-0.08044901	-0.999936	-0.9993978	-0.9919026	0.42988402	0.3012968	0.08541985	-0.11762999	-0.2687668	-0.75748974	-0.10122766	-0.31008166	0.006617576	-0.7517404	-0.49192628	0.33598018	-0.69533354	0.5486922	-0.050376937	-0.32237244	-0.9877983	-0.9999217	-0.6624728	-0.19872548	0.000110105	0.39802513	-0.21962702	-0.9003955	0.3907738	-0.33429605	-0.010191398	-0.37034038	0.033959277	-0.4287835	0.9353795	0.04055597	0.88630664	0.22641888	0.47924018	-0.11012272	-0.45401892	-0.2216153	-0.09393579	-0.26234704	0.6630368	0.002398343	-0.16213769	-0.24811095	-0.38684285	-0.05076317	-0.5735709	0.21332408	0.44791958	-0.46979785	-0.11951789	0.2477716	-0.82917655	0.39175808	-0.3359818	0.026907044	0.02621329	0.53135556	0.9997713	0.12103493	0.28625706	-0.5085428	0.36324826	-0.27861378	-0.17875989	0.3775112	-0.33238122	-0.21994662	-0.41216728	0.679941	-0.3724335
323	0	CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1	-0.1644796	-0.33678302	0.008635921	-0.44176105	-0.5190083	-0.6698208	-0.7270691	0.52126026	0.26877025	-0.65335613	-0.48530623	0.64775044	-0.41079503	-0.31959245	0.73700315	-0.0653644	-0.3319167	-0.4026058	0.6552624	-0.53018457	0.13046715	-0.10362729	-0.5114941	-0.42461175	0.67836887	0.063592404	0.021920433	-0.05794688	0.24739364	0.4474281	0.070213675	-0.03854508	0.56208414	-0.3710317	-0.07013434	0.20955834	-0.22187604	0.48290956	0.9994702	-0.75613075	-0.8035934	0.2960476	0.39171883	0.049549554	-0.6964869	0.4636739	-0.25458843	0.011561217	0.9049341	0.124972604	0.348133	-0.273206	-0.23180974	0.63895416	-0.65913206	-0.30089617	0.053259328	-0.5372585	0.2962789	-0.3267855	-0.074114494	-0.3380144	0.13837042	0.6469999	-0.63087654	-0.16794364	0.292468	0.42886004	-0.22597167	0.49570587	0.19382359	0.6028228	-0.11183932	-0.6127107	0.8407806	-0.5114691	-0.000394369	0.30084062	-0.8146046	-0.9986056	0.35887495	0.12250239	-0.9063685	-0.5213167	-0.2317905	-0.99310786	-0.71964747	-0.24789092	0.034170106	-0.1821206	0.39297277	-0.04675112	-0.08737627	-0.025055166	0.91008437	0.4202989	0.9727138	-0.70029974	0.7829681	0.58584005	0.12576053	-0.06021992	-0.13960573	0.99392986	-0.99834317	-0.27582476	-0.48133996	-0.13679954	0.9234604	0.17780046	0.57965016	0.47817147	0.54102725	0.62789804	-0.26907212	0.669253	-0.47764376	0.78357023	0.87070745	0.47073287	-0.09794662	-0.10633805	0.16012515	0.73051184	-0.24543594	0.40417764	0.4589282	-0.06622471	0.07572585	0.9999888	-0.1979241	0.7298343	0.32154307	-0.19440892	0.2788592	-0.99432725	-0.34614056	0.65870446	-0.42651543	0.10590874	-0.99999225	-0.27537972	0.9196451	0.13709877	0.06593861	0.58865273	0.5324131	0.22531785	-0.9898535	0.22721775	0.8027599	-0.83609015	0.32844284	-0.09156798	-0.40799385	0.45608312	0.12151132	-0.7507113	-0.58704984	-0.88140655	-0.06051818	-0.1401268	-0.7350758	0.117204495	-0.29594728	0.05652017	0.38193843	0.66777277	0.29275805	0.07969915	0.58858305	-0.4528911	0.4180562	-0.07617992	-0.04508928	-0.96373796	-0.6015503	0.54721946	-0.5668453	-0.38944247	0.5287475	0.6047838	-0.16712728	0.23972766	0.5603113	-0.047635358	0.6930876	0.26635787	-0.27318203	-0.23848224	-0.87825173	0.17255811	0.46312732	0.78009844	-0.17280546	0.12185641	-0.3720938	-0.89573497	0.57710505	-0.10849972	0.20819314	-0.7138402	-0.24780196	-0.43089312	0.22169326	-0.35577607	-0.57974607	-0.8959134	0.27586314	-0.9999301	-0.46406657	-0.061879065	-0.21289718	-0.032941952	0.7392194	0.16331668	-0.21906783	-0.24128364	0.20990032	0.5095201	0.47727498	0.34913114	-0.5750171	0.14448313	-0.920496	-0.1326935	0.15617812	0.01898032	0.21970437	0.21804953	0.45304033	0.62740874	-0.11562304	-0.45821497	0.5285123	-0.6802705	-0.07178562	-0.3977545	-0.23346175	0.07241598	0.9013824	0.6147569	-0.39459676	0.25956577	0.6314728	0.18513021	0.51765937	-0.32235175	-0.76572037	0.5036309	-0.15599735	-0.71942896	-0.5720248	0.48468766	-0.16102894	0.4519157	-0.20576334	0.3487823	-0.07593943	0.21448486	-0.28217563	0.24447164	0.23027596	-0.7382529	0.6832226	0.055412572	0.048582293	0.014139107	0.6578332	0.17559387	-0.6036915	0.99245214	-0.02749595	0.21146326	-0.2110736	-0.5869335	0.3678718	-0.1690947	-0.29435834	-0.012948539	0.5155667	0.9904968	0.20754209	0.35364825	-0.5762454	0.38582817	0.5296292	0.9696437	0.78062284	0.11993632	0.70167524	0.45668784	0.5681169	-0.5993323	-0.55154884	-0.1646788	0.99999815	-0.9991745	0.56470716	0.4530867	0.07901614	-0.54899186	-0.45838338	-0.38578942	-0.2977987	-0.9060094	-0.99744403	0.043647535	0.9572177	0.19788128	0.3033484	0.70781255	0.30737984	-0.094145104	0.9341328	-0.25684983	-0.43508506	-0.22948393	-0.999343	-0.011379439	-0.111422494	0.087150216	0.55707914	-0.8182496	-0.33141294	-0.23459482	0.65390563	-0.9003905	-0.42910588	0.32917196	-0.3252922	-0.5530337	-0.53742856	0.15583389	-0.20895974	0.97853	-0.11886828	0.3731802	-0.34377837	-0.007127619	-0.044917613	0.48001072	0.6119749	0.3557681	-0.32348922	-0.3751203	-0.6822967	0.22304267	-0.44696596	-0.93226457	-0.8765282	0.6001992	-0.48091123	0.70441586	0.0755699	0.4509074	0.6968823	0.99976206	0.15943639	-0.77110344	-0.5225718	0.04038475	-0.03049946	-0.6356777	-0.9833694	-0.059252307	-0.30542254	-0.73019785	0.25305122	-0.110341154	0.005986038	0.41861373	-0.18215525	0.008165073	0.2591149	-0.9916723	-0.051704563	-0.26290032	-0.33686262	-0.5927649	0.3054822	-0.6334519	0.7055352	-0.33625278	-0.2593943	-0.491714	0.271273	0.6636421	-0.020004425	0.17217809	0.5275314	0.03056041	-0.11166672	0.05120882	0.31777892	-0.001272804	-0.037894316	-0.70308685	-0.8408722	-0.65189147	-0.33101195	0.5126273	0.26101327	0.11701203	0.11899242	-0.5227809	-0.3661411	-0.7035055	0.6868938	-0.29452044	-0.71812916	-0.15511794	-0.65775275	-0.07505776	0.03745302	-0.5720442	0.9999981	0.46020392	-0.9550377	0.5219158	0.9990682	-0.33322197	-0.60308915	-0.9998735	0.1348569	-0.94532937	-0.50877184	0.6493321	0.28212458	0.65382487	0.29524994	-0.8646966	-0.5665734	-0.21639477	0.67838436	-0.20399342	0.1144089	-0.34605476	-0.9998977	0.99999964	0.80339575	0.13486636	0.020249004	-0.37916046	0.55506927	-0.30443206	0.7533793	0.26889256	-0.45219722	0.06044413	-0.85272	-0.45211235	0.30185506	-0.30978715	0.24648252	0.24863587	-0.45919698	0.95331204	-0.9990982	0.2463324	0.39359	-0.50540423	0.7344882	-0.76668334	-0.99472713	0.39180538	-0.43145102	0.6213311	-0.11112731	-0.21289645	-0.60028774	0.98498017	-0.16490038	-0.0772126	0.29517728	0.6300215	-0.29777962	-0.8188329	-0.40664154	-0.19426738	0.1401395	-0.78528583	-0.79455435	-0.14483161	0.09539677	-0.3558411	0.5480374	-0.15417692	0.12865452	0.57199407	0.34875694	0.066423066	-0.047803674	0.9995515	0.670501	-0.0242196	0.5495464	-0.5709969	0.7097765	0.99988616	0.7662268	0.12258656	-0.29289168	-0.11139027	-0.43655187	-0.51299363	-0.99693054	0.011016093	0.56273127	-0.103424594	0.14016025	-0.5387384
324	0	CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1	-0.4537202	-0.40382645	0.11344562	-0.2537763	-0.0815817	-0.62626404	-0.16708821	-0.012682011	-0.025813505	-0.83883494	-0.70205307	-0.028928412	0.5376802	0.02948679	-0.6668326	-0.72662437	-0.35130006	-0.40452182	0.31046352	-0.41559952	-0.28261167	-0.20146634	-0.2404114	0.063923135	0.38397357	-0.36589223	0.4589073	0.23188813	0.2725605	-0.18570241	-0.093822934	0.13325618	-0.24782154	-0.45159435	0.022243561	0.6729523	0.40980852	0.14991465	0.9994409	-0.8053732	-0.8193265	0.08561323	-0.5759692	0.052876797	-0.6264548	0.20337392	-0.34974134	-0.687276	0.7975603	0.14058918	-0.13975665	-0.012607036	-0.5453091	0.18262883	-0.749159	-0.15775278	-0.5313146	-0.78336203	0.13683021	-0.74491954	0.6542706	-0.16222869	-0.096566625	0.4561121	-0.558915	0.72145766	-0.42911297	-0.29777148	0.18378977	0.56749016	-0.7908208	0.02050169	0.6573237	-0.12102117	0.6412176	-0.56749135	0.17691684	-0.14199968	-0.470023	-0.99963003	0.54513735	0.73303443	-0.9546568	-0.19891667	0.081635974	-0.9819277	-0.28996795	-0.24713509	-0.43949613	-0.16295087	-0.003736311	-0.30915186	-0.01649414	-0.040499542	0.95530766	-0.22040261	0.6529022	-0.76028144	0.46422467	-0.086279035	0.33868474	0.53400093	-0.7597165	0.90474385	-0.99659777	-0.8277501	-0.53621686	0.4033575	0.9493681	-0.060769133	0.34772986	0.42665485	0.1540997	-0.04582199	0.37062386	0.5065606	0.6439553	0.5929668	0.954552	0.14453152	0.09510394	0.45802268	0.68317	0.2655748	0.31997585	-0.6422116	0.11691347	-0.003353597	0.28336483	0.9999623	-0.43094543	-0.5085978	-0.2381329	0.20235048	-0.52944696	-0.99316376	-0.1735327	0.68052095	-0.6152851	-0.22806019	-0.9999962	0.5491085	0.93396056	0.049492914	-0.120033205	-0.07866818	0.27642202	-0.2510194	-0.97391903	0.6593354	-0.008844405	-0.90737396	-0.1932667	-0.05105794	-0.4031488	-0.18170935	0.12568316	-0.5335249	-0.5750242	-0.86130726	-0.46329397	0.20646401	-0.66393125	-0.5694056	0.23368008	-0.70084083	0.3103175	0.5025531	0.39736727	0.89353377	0.04304779	-0.84555197	0.1506682	0.19309564	0.17823209	-0.8892435	-0.67079437	0.54453176	-0.5001262	0.43601197	0.6747385	0.6189113	-0.69355106	-0.6592575	0.4550193	0.31488127	0.6856237	0.24888912	-0.62272495	-0.17825818	0.020897444	0.23804663	-0.122180425	0.7057378	-0.4356214	0.15351437	-0.17121099	-0.65058494	0.3946262	0.1643633	-0.36509708	-0.24488916	-0.5781918	-0.669371	0.703068	0.39002126	0.12809964	-0.7411914	0.64540136	-0.99993193	-0.3318376	0.5448923	0.6397472	0.12521408	0.50507563	0.5706133	-0.143159	0.23927431	0.29347205	0.45743063	0.6644324	0.23734854	-0.274359	-0.44767562	-0.9651118	-0.608944	0.1360161	0.24083611	-0.20792203	0.5272787	0.40136907	0.5663814	0.22427395	-0.023474181	-0.24472716	0.36208153	-0.22361387	-0.18767814	-0.1795776	-0.5043771	0.9113147	0.44026658	-0.28988037	0.1420387	0.35362464	-0.8694356	-0.0486531	-0.12152572	-0.48072293	0.5567044	0.3506563	-0.73728305	-0.72234863	0.5173912	0.26294515	0.37224483	0.23194894	-0.6091535	-0.7414977	0.5449336	0.2423112	0.29806972	-0.71458805	-0.47361848	0.74223256	-0.02757886	-0.06665146	0.6522676	0.68779516	0.04018706	-0.8058353	0.9979836	0.029090047	-0.1930201	0.6219862	-0.68031955	0.14361764	-0.68600434	0.4202534	-0.3916804	0.41113746	0.9933904	0.3691348	-0.037642144	-0.16978978	0.20757303	0.20460653	0.9120526	0.9093235	-0.49844217	-0.10353151	0.70178926	-0.41453773	0.3687761	-0.72546065	0.010232853	0.9999991	-0.9979136	0.37534675	-0.29481947	0.2850343	-0.64801204	0.06352673	-0.27726468	0.20481062	0.07085929	-0.9931308	0.5427664	0.4833947	0.5929254	0.5154128	0.06225986	-0.5171745	-0.06693953	0.9288672	-0.07133039	0.065513514	0.04154794	-0.999741	0.5177041	0.27373955	-0.7829945	0.42682245	-0.8985508	-0.5498669	0.3126819	-0.80058444	-0.86569804	-0.61412805	-0.5613225	-0.071434766	0.45658812	-0.21889596	-0.57502264	-0.35098177	0.9331868	0.07299961	-0.077470705	-0.49407133	0.46718743	0.6935105	0.13370909	0.9049028	-0.17681114	0.32411027	-0.19651052	-0.43909252	0.090643264	0.19833511	-0.88717616	-0.8455365	-0.46075636	-0.4880827	0.4260702	-0.30345842	0.29539275	-0.79791164	0.99974525	0.048117783	-0.4401273	-0.24020326	-0.43678853	-0.44095826	-0.54134095	-0.90279883	0.52527285	0.051883254	0.2775256	0.18986028	0.22412787	0.44348314	-0.15540473	-0.006890627	-0.5114088	-0.7325852	-0.9971758	0.37891394	0.16716078	0.6534372	-0.17130013	-0.060000256	-0.22633597	-0.1407163	-0.27485394	-0.22573735	-0.65362966	-0.04906749	0.5157469	0.102482766	-0.49881807	0.7223707	-0.17303343	0.090623684	0.08583721	0.023605106	-0.36910486	0.1662011	-0.61674577	0.69476116	-0.8813915	-0.22920428	0.47751942	-0.32612732	-0.016447634	0.47263408	-0.5262066	-0.3046605	-0.41243148	-0.12675841	-0.4976717	-0.2754151	0.7014915	-0.16807525	0.35493276	0.16257457	0.465606	0.9999989	0.2357913	-0.9825233	0.21917567	0.9997084	-0.17362447	-0.0000490	-0.99991107	-0.13683489	-0.77875006	0.55172944	0.08893172	0.46119922	0.007573487	-0.11640228	-0.7664049	-0.27867028	0.33781508	0.7231373	0.08269089	0.24529271	-0.05211628	-0.9999557	0.9999999	0.37248382	-0.13438356	-0.08657704	-0.36869398	0.42519495	-0.77506423	-0.4487245	0.18297328	-0.37892544	-0.025028374	-0.6807056	-0.40023082	0.08055485	-0.6327929	0.15318716	-0.40549496	-0.002360343	0.8645155	-0.99955755	-0.016249167	-0.4380778	-0.4249188	0.11070574	-0.48378918	-0.98295456	0.7498068	-0.121837065	-0.24375504	-0.7489533	-0.22463082	-0.677283	0.94283223	0.6531737	0.86785764	0.32367834	0.49339992	-0.82192427	-0.41937152	0.76368606	-0.15296029	0.18017831	-0.6431105	-0.7665856	0.017153643	-0.18842077	0.028625933	0.6591764	-0.02623029	0.386709	-0.13325304	0.038218178	-0.4066023	-0.03376717	0.99908084	0.47471583	-0.53018475	0.51722926	-0.47728488	-0.49754295	0.9996524	0.9103029	0.36772117	0.15813859	0.38498607	-0.18705867	0.31732082	-0.99708575	-0.042440657	0.74089456	0.35108128	0.19501016	-0.71893954
325	0	CCOc1nc(C(Cl)(Cl)Cl)ns1	0.054713342	-0.2942911	-0.15627445	0.5101628	-0.2715444	-0.2249458	-0.7432219	0.31213441	0.32496807	-0.5550604	0.29219067	0.1759934	-0.42587394	0.6518456	0.5886086	-0.59216315	-0.59003353	-0.031900745	0.5180593	0.28973633	0.6572822	-0.0173837	-0.37800637	-0.19456016	0.314555	-0.3489003	0.024792273	-0.000212108	-0.23848224	-0.56767416	-0.113901764	0.5938029	-0.31915236	0.37728295	0.46039078	0.1543337	-0.12827589	0.22831595	0.39676738	-0.9208232	-0.9944014	0.6701618	0.27369076	0.46633536	0.34692883	-0.99079776	0.69433945	0.16766942	0.99678344	0.041458737	-0.23464118	0.6566615	0.095647514	-0.006316894	-0.85607606	0.30331868	-0.57432383	0.9190187	0.25480765	-0.34800807	0.73152673	-0.48388022	0.16208807	0.3635995	0.093074895	0.7801117	-0.3647369	-0.33598974	0.22595043	-0.41331252	-0.0469591	-0.9829761	0.6839697	-0.20442422	0.2774841	-0.7609022	-0.000382207	0.13410343	-0.48018128	-0.99963367	0.30785525	0.42789996	-0.89632297	-0.16188183	0.4180664	0.2521321	0.13951564	0.10971475	-0.26322135	-0.249176	-0.39542544	0.02069741	0.12034974	0.48131967	0.95931983	-0.6488154	-0.169021	0.45477423	0.4894394	-0.26429448	0.48395315	-0.6778636	0.5273186	-0.15925373	0.7635117	-0.978279	-0.08514166	0.07393813	0.9878518	0.25607467	0.31711626	-0.43618292	-0.7255876	-0.5843437	-0.28685805	-0.22325757	-0.6181376	0.14743568	0.9994796	0.19701743	-0.3206106	-0.094426595	0.76371986	-0.16460465	-0.2993914	0.0403058	0.24946421	-0.70982903	-0.6478944	0.9980531	-0.26687667	0.16622964	0.5624484	-0.2077319	0.5687614	-0.9627037	-0.4116058	-0.25672957	0.10659995	-0.52099144	-0.9994572	0.025633993	0.98030484	0.24199334	-0.29358107	-0.13026804	-0.02555568	-0.55341256	0.9784139	0.033759553	0.3124756	-0.6917676	-0.4205665	-0.48792517	-0.6020698	0.09196883	0.21213771	0.99895304	-0.3360332	-0.95403314	-0.9912217	-0.40287265	0.51832104	0.12362223	-0.13351265	-0.25181782	-0.35534176	0.22440787	-0.2644588	0.31777385	-0.5690773	0.23220013	-0.37566778	-0.37407568	0.38809028	-0.38902065	-0.7472984	0.4110608	-0.74773645	-0.028371206	-0.082778625	-0.32804868	-0.2268405	0.27226123	-0.8071617	0.5070497	0.81570494	0.614176	0.13622664	-0.3115731	0.6032179	0.7738605	0.28927574	0.32157403	-0.71982247	0.2743575	-0.19366163	-0.49661264	-0.3288817	0.69611317	-0.30405894	-0.1250983	-0.6549818	-0.37378472	-0.14331432	-0.48443815	0.42387843	-0.5844939	-0.125564	-0.9790667	-0.582331	-0.1606777	-0.029823685	0.19939615	-0.07640476	0.05212802	-0.34049812	-0.5450273	-0.027425094	-0.058058377	0.09966209	-0.6816496	0.9190059	0.2750064	-0.9516029	-0.5378045	0.3452858	0.14164172	0.4357511	0.5129621	-0.37571925	-0.18249585	0.46610612	-0.13613899	-0.06133817	-0.22680834	-0.16351004	0.42461643	-0.58070654	-0.098545775	0.9495858	-0.1635469	-0.20019603	-0.112415515	-0.14146604	-0.8696713	0.41224357	-0.5732394	-0.36663714	-0.14048198	-0.098385654	-0.9987653	-0.78475773	0.28158763	-0.37799683	-0.1506378	0.32249215	0.3617442	-0.38075674	-0.12695426	0.08598153	0.42013857	0.35436308	-0.39550462	0.00842108	-0.28200367	-0.24758479	0.43257168	0.95416415	0.50583535	0.1646862	0.84013027	-0.65574354	-0.5547327	-0.425865	-0.22032832	0.23940998	0.03301627	0.2864478	0.3409077	-0.2302805	0.999358	-0.25058925	0.4044731	-0.45488238	-0.002321101	-0.057777483	0.10142858	0.92877924	-0.33825484	0.24982195	0.9995562	0.004882952	0.79308033	0.102082886	-0.53914785	0.9987606	-0.9292495	-0.10889881	0.6625243	0.31586596	-0.48146757	0.13742813	0.7225435	0.9270015	0.89863086	0.9944762	0.68715227	-0.14932054	-0.023511833	0.4258853	-0.08872597	-0.18520892	-0.5446275	0.85068506	-0.21256198	-0.6549647	0.3057777	-0.9999832	0.11779701	-0.28322768	-0.5373942	0.72754985	-0.5202914	0.42124262	-0.8321846	0.40516353	-0.78922987	0.14052963	0.089285836	0.12090847	-0.003606014	-0.5266554	-0.34061927	0.1264162	0.07142602	0.3709854	0.16197956	-0.46941438	-0.44104937	0.17846006	-0.79844224	0.1709641	0.37252864	-0.08009486	-0.081370756	-0.39955258	0.3508749	0.12708639	0.9161821	-0.99276936	-0.45406386	0.2403208	-0.004538124	-0.24214554	0.21874653	0.10798053	0.9974803	0.3491165	-0.052962814	0.28681666	-0.4380938	0.3723405	-0.58456707	0.28484952	-0.27957153	0.46716034	-0.005263674	-0.24842857	0.27098927	-0.32441777	0.24937941	0.5013109	0.37203118	0.4390238	1	-0.05421376	0.21811517	0.31496626	0.067698255	-0.8082516	-0.14102067	-0.12767747	0.19994853	-0.30595428	-0.46593678	0.38225988	0.27737164	-0.53160024	0.6853754	0.107571274	-0.03157053	-0.5241365	-0.20096165	0.6056213	-0.42187575	0.1611459	0.21389616	0.823823	-0.072474666	-0.3778303	0.27299392	-0.29468557	-0.0976955	-0.32634944	0.04186219	-0.54974914	0.7752784	-0.2546443	0.3016314	0.27836955	0.6730488	0.61100376	0.47578448	0.3580091	-0.06047732	1	-0.2762778	-0.9765265	0.42330223	0.9937622	-0.33527523	-0.6542521	-0.99992144	-0.29753602	-0.38641933	0.462679	0.16776703	0.09022897	0.37478462	0.64774734	0.5424716	-0.22538675	0.44750127	-0.09479826	-0.16712955	0.2703393	0.07822502	-0.9999765	-0.99902487	-0.9956928	0.49244922	0.057034675	-0.25908756	0.47090176	-0.21236396	-0.72944736	-0.005317322	-0.24454764	0.3056118	0.47811314	-0.13863426	0.5016369	-0.5788638	0.41077885	0.48822916	-0.118672796	-0.98721653	-0.9999254	0.21147233	0.33731714	0.21264018	0.6547299	0.21310309	-0.92891973	0.21396582	0.15789494	-0.32306728	0.31212077	-0.25917676	-0.100131765	0.9418773	-0.09152929	0.8318152	0.18208529	0.24802063	-0.32683346	-0.16262603	-0.03912049	0.25398418	-0.92381364	0.05111565	-0.7986007	-0.20338476	-0.51590574	-0.20319419	0.33926976	0.612912	0.063571036	0.610986	-0.28694865	-0.46613112	-0.19382454	-0.8407597	0.3336449	0.5396584	-0.36014983	0.34217098	0.6013576	0.9997091	0.0912282	-0.4232566	0.19737786	0.41138175	0.23419794	0.6420312	-0.25414062	-0.14810169	-0.38940176	-0.2920004	-0.5658204	-0.5075449
326	0	O=S(=O)([O-])c1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc1	0.9204778	0.59964275	-0.7071793	0.7792855	0.38077712	0.029324519	-0.25516537	0.19355616	0.5755682	0.1541248	0.1063869	0.6869497	-0.4849874	-0.12180504	-0.206371	0.8237136	0.23470548	-0.47548786	-0.6576932	-0.63879716	0.8583159	0.7974844	0.24784239	0.81394756	-0.65100914	0.15016146	0.21900432	-0.3010864	-0.315121	-0.5464529	0.47291616	-0.104312435	-0.7527459	0.4094991	-0.1045252	-0.12648854	0.40806818	0.5282728	0.99977773	0.29240587	-0.48307845	-0.1588209	0.111483805	0.09853566	0.26615232	0.78330016	0.29987136	-0.14707018	0.9826196	-0.2094173	-0.5536158	0.5017885	-0.14166524	-0.604485	0.07223856	0.529638	-0.81004655	-0.91869366	0.32652587	0.0724318	-0.1349481	-0.16003624	-0.4802758	-0.73424363	-0.7449842	0.46786463	0.13649566	-0.33219093	0.71979755	0.7091673	-0.50783575	-0.9868985	0.75013745	-0.75827837	-0.79202586	0.8294471	0.018770965	-0.9067669	-0.2725763	-0.9994911	-0.22985639	-0.7263665	-0.7691615	-0.2312544	-0.46463406	-0.15191276	0.24194725	-0.5003747	-0.20552298	0.4263378	-0.48130193	0.4504754	0.001637319	0.36704785	0.9999727	0.25063455	-0.9184683	0.038789112	-0.2914664	-0.49602312	0.6104699	-0.7557362	0.5722109	0.9040275	-0.9992549	-0.9620282	-0.38457713	0.67039204	-0.87681	0.55520755	-0.43195727	-0.17507562	-0.6769696	0.038769737	-0.2941879	-0.8375594	0.8775539	-0.082435265	0.9225233	-0.78555113	-0.22272776	0.547546	-0.73437464	0.33724996	-0.84571064	-0.26190877	-0.17831181	-0.3257894	0.68661743	0.9925119	0.20394033	0.4806814	0.22720072	-0.21403524	0.22352293	-0.007315467	-0.070574164	-0.07590915	-0.38402972	-0.36322647	-0.9999446	-0.6689869	-0.95124435	-0.06771272	-0.2185759	-0.849253	-0.12463523	0.48580968	-0.9978133	-0.07628016	0.0405679	-0.5999094	-0.6989339	-0.5124868	-0.3428651	0.22396524	0.31054297	-0.94697297	-0.6293533	-0.9406156	-0.04187306	0.46794423	0.11867308	-0.032269545	-0.35815668	0.6874571	-0.88037187	0.35905746	-0.23090369	-0.25033218	0.14455135	-0.5650613	0.3703514	-0.49249208	0.8607412	-0.13776313	-0.7383609	0.28553495	-0.42347717	-0.5080036	0.2523562	-0.9999947	-0.4965899	0.29534703	0.95319605	0.54953676	0.48941472	0.1477725	-0.14771542	-0.46308896	0.5897052	0.18290032	0.41028494	-0.91657966	-0.066708624	-0.5133923	0.7489726	0.8465743	-0.3675064	-0.37558696	-0.4482642	-0.3053658	0.08194992	0.24750282	-0.1784595	0.18299255	-0.35527867	-0.46134374	0.18775624	-0.9997854	0.72807163	-0.57796526	-0.74885964	0.60026073	0.7474094	-0.044601157	0.44735718	0.3584407	-0.48244202	-0.66398674	0.40222716	0.4720198	0.099964246	0.8653174	0.98568493	0.39777383	-0.29064777	0.7571363	0.61075634	0.4659959	-0.04548898	-0.6406311	-0.4281492	-0.58411884	-0.65380603	0.33296415	-0.37781355	-0.17689642	0.25793466	-0.44828105	0.25329867	0.44465545	0.8035017	-0.3342951	0.59087634	0.70401484	-0.04505832	-0.31032485	-0.7321018	0.22892547	-0.24472691	-0.77881235	-0.45900285	0.9548124	-0.64647883	-0.05274025	-0.46238664	0.8060643	-0.5654929	0.3502581	-0.28113237	0.3996379	0.7431099	-0.026486326	0.4769008	0.89986295	0.56884515	0.10544762	0.6823823	0.18770024	0.41111183	0.997961	0.51779926	-0.21496743	0.18360825	0.7151142	-0.56345373	0.241371	-0.20316838	0.24839705	0.29165223	0.948181	-0.7366974	0.181502	0.081852384	0.4071285	-0.47851068	0.16731112	-0.8075588	0.20929198	-0.017405182	-0.08208848	-0.39273527	0.44644868	0.08649309	0.66860646	0.99998915	-0.23402071	0.03183493	-0.6549971	0.49636382	0.7820556	-0.93785	-0.09211644	0.06168668	-0.59273946	-0.9957782	-0.16885982	0.37706473	-0.38137278	0.68037647	0.08814231	0.18939234	-0.5890532	-0.99902976	0.8536949	0.5914985	-0.25871924	-0.88311046	0.32299143	-0.106368594	-0.5958281	-0.20292813	-0.8548926	0.32381153	-0.27926648	0.47592983	-0.2717163	0.6096808	0.17187917	0.66389215	0.1868468	-0.5745439	0.38635755	0.18991631	-0.82516867	0.47526625	-0.41514802	0.5152	-0.31759045	0.5769766	0.52105516	-0.72613937	0.5547833	-0.03059539	0.05932354	0.6416073	-0.7222005	-0.21636035	-0.975003	-0.19354266	0.35349983	0.5226288	0.15775476	0.060405374	-0.23292486	0.12060472	0.999486	0.49729267	0.78500384	0.35238612	-0.18199949	0.5378595	0.44750723	-0.49410388	-0.6692141	-0.5257876	0.04155912	-0.01665282	0.5215553	0.4332075	0.56973314	0.68634	-0.45510176	0.5973108	-0.9747712	-0.13491799	-0.4892834	-0.8421109	0.09916679	0.3392125	0.074106894	0.48156464	-0.7947875	0.7188006	-0.12930381	0.7725369	-0.5701939	-0.6084355	0.82180214	-0.24933326	-0.80050385	-0.12751684	0.33270738	-0.07946713	-0.77888954	0.5098484	0.47549155	-0.614593	0.9140871	0.9992459	0.564118	0.71453285	-0.20130089	0.42009655	0.43401766	0.60376006	0.99937403	-0.37315863	0.3344539	-0.20703626	-0.3759208	-0.69620466	0.20284437	0.5186734	-0.34440723	0.99945664	-0.25049803	-0.9635722	-0.08006621	0.99624205	-0.87053704	-0.10923443	-0.9987704	-0.001340314	-0.8110398	0.4164939	-0.29251534	-0.882494	-0.8481102	0.36697182	0.6150695	-0.46299568	-0.31147859	0.21320719	0.025648866	-0.36403334	0.19526012	-0.9999069	0.99999803	0.3790352	0.43041965	-0.47099778	0.6973402	-0.88917905	0.68769115	-0.5477253	0.022610562	-0.6087435	-0.6758112	-0.9193924	-0.09863967	-0.25737214	-0.20979346	-0.18452208	0.11120366	0.16327222	0.933014	-0.99900943	-0.4342882	0.61966676	0.0758819	-0.683531	-0.035420846	0.9929653	0.9496692	0.2974814	-0.115469895	0.29193568	0.5144957	-0.6087956	0.98524684	-0.34640223	-0.734458	0.116714776	-0.20956731	-0.13612874	0.8998696	-0.7854184	-0.42705643	-0.1119398	0.8799769	-0.9926453	0.016538328	-0.61819124	-0.6848582	-0.3885189	0.017925693	0.3908001	0.817613	-0.38012043	-0.1793969	-0.20796975	0.9989466	0.111015975	0.36173463	-0.9135793	0.12501918	0.2713391	0.99948835	0.1683005	0.64721626	-0.6511122	0.14313899	-0.35998163	0.26964584	-0.9942364	-0.22012322	-0.79811394	-0.7264586	0.09441942	-0.82133186
327	1	CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	-0.5369712	0.7192687	0.682517	-0.2524445	0.4770951	0.61426914	0.2094532	0.46833998	0.18833235	-0.2927992	-0.5664352	0.27397782	0.2067869	-0.020052115	0.054195855	0.456034	0.39556172	0.11683412	0.20732285	-0.3048545	0.64266	0.08592737	-0.6604666	0.5050759	0.43076184	-0.48051408	0.7332165	0.36778662	-0.32104248	-0.30718228	0.28461093	-0.49844226	0.5508201	0.1010077	0.08223803	-0.5248619	-0.20301533	0.09412636	0.9996674	-0.45368615	-0.37907282	-0.06249249	0.055645175	-0.42806578	0.29016587	0.78588736	0.7123012	0.16936657	0.7708046	0.03939404	0.49001315	0.5267337	-0.084917046	-0.30182692	0.17931303	-0.2490147	0.015819198	-0.87389535	0.28974766	-0.25696406	-0.20893441	0.6470526	-0.4275072	-0.8999367	0.43452725	0.28979933	-0.7031126	-0.20416936	0.29904127	-0.461734	-0.8989612	-0.7361685	0.6993544	-0.9243836	0.13056137	0.13346915	0.24553087	0.5369884	-0.5966712	-0.9996385	0.72185636	-0.35334164	-0.99111116	0.83913505	0.60130185	-0.9585936	0.23275267	-0.002250366	-0.000625427	-0.002479708	-0.06850919	-0.3845904	-0.60752356	0.37350363	0.9978674	-0.15122806	0.69895864	-0.8030792	-0.8470178	0.3017207	0.33268338	-0.28580654	0.7356708	0.98621726	-0.99962306	-0.9155675	-0.17228474	-0.40027893	0.97062135	-0.43100017	0.27365214	-0.6466415	0.3285594	0.077526115	0.07947102	-0.047107432	-0.07863755	0.030589534	0.585363	-0.08795805	0.33673108	0.023556959	-0.46535048	0.65370226	-0.102414116	0.011809892	0.20686044	0.17495784	0.31245437	0.99986315	-0.14051369	-0.12932709	0.043695617	0.8067926	0.17429377	-0.989692	-0.8057947	0.21763323	0.7002246	-0.5974949	-0.9999997	0.3725748	-0.28686178	0.13238364	-0.24885596	-0.07065603	0.4105248	-0.5369216	-0.9985642	0.7253433	0.26600495	-0.7921942	-0.047742076	0.18744136	-0.6904439	0.55924094	-0.45068944	-0.9793849	-0.20065603	-0.95912445	0.11919019	0.08546403	-0.11224122	-0.007126926	0.31348124	0.05156335	-0.5774034	-0.28818196	0.06668271	0.16185768	0.085672155	-0.2722674	0.5545051	-0.4514822	0.35253185	0.8046418	-0.48565885	0.42734656	-0.4887621	0.06540696	-0.058321692	-0.9249434	-0.32843387	0.22194766	0.3913643	-0.17373708	0.2153416	0.035482477	-0.21475893	0.06913178	-0.56140465	-0.48450983	-0.70702004	-0.20934477	0.80259055	0.7592324	0.38617042	-0.46014342	0.26032495	0.117500745	0.800421	-0.52043796	0.33280802	0.3312902	0.84348434	0.12930381	0.038318772	-0.87418485	-0.49032956	-0.99989957	-0.178384	-0.31584403	-0.6044673	0.23884767	0.39806363	-0.50874627	-0.08371963	-0.2195277	-0.46979707	0.34824157	0.090104625	-0.19057769	0.8842247	-0.6645747	-0.9833344	0.3699226	-0.031019857	0.20901638	0.44133636	0.06841095	0.6240623	-0.48525327	0.042701017	0.29662928	0.5589332	0.3362796	0.22000816	-0.2620484	0.19169597	-0.14078608	-0.8244215	0.5741061	0.38198474	-0.07537438	0.8616913	-0.04480669	0.09016898	0.45887452	0.17588957	0.81973416	0.5214404	0.7007793	-0.6087089	0.31647846	-0.57872236	0.76982164	0.015577694	-0.43565503	0.05537096	-0.59449005	0.44323546	0.31430104	-0.81106734	0.21527092	0.1952562	0.4680772	-0.16843547	-0.22710063	0.9944716	-0.2165767	0.45644826	0.9971814	-0.68589383	-0.6512961	0.59751433	-0.06286639	-0.21701603	-0.709071	-0.36711466	0.52042097	0.12958948	0.96104455	-0.115303695	0.32105875	-0.33038625	0.81416833	-0.35259116	0.9404338	0.90641713	0.85874325	-0.23731296	-0.58485836	0.086096935	-0.30174416	-0.089038335	0.70742893	1	-0.98763	0.022232477	0.22657561	0.52912754	-0.28533787	-0.7798583	-0.3138202	0.9522109	0.55330086	-0.99953675	-0.07179772	0.84395087	0.67221934	-0.09452404	-0.5048181	0.27251914	0.24503888	-0.056853708	0.38836756	0.18844567	0.25684077	-0.9999889	-0.28512594	-0.5376046	0.42547438	-0.74712133	-0.80908185	-0.69467926	-0.65235275	0.5188752	-0.6319404	-0.10953515	0.1822983	0.23790184	0.10166902	-0.048648544	-0.30612895	0.048263356	0.8384935	0.89673805	0.18873613	0.20250589	-0.4618396	-0.38634446	-0.5444528	0.68714744	0.30260098	0.5614357	0.50720376	-0.041574154	0.4162708	-0.11807518	-0.97736484	-0.40786174	0.054234263	0.8224215	0.07254963	-0.34708223	-0.3808923	0.19691245	0.9993335	0.5386068	-0.26797518	-0.012919755	-0.1443745	0.5859528	0.28698352	-0.63791394	-0.25499108	-0.6767232	-0.79955846	0.6291906	-0.55556077	0.18217157	-0.26741338	-0.48358908	-0.812229	0.6925196	-1	-0.407171	0.14086992	-0.27961797	0.7674691	0.65072787	0.4925231	0.101239175	0.07559053	0.18547286	-0.004742966	-0.111754715	0.21982569	0.6785749	0.4985296	0.09514425	-0.6174639	0.5914194	-0.40648413	0.57750636	0.70255053	0.57581663	-0.61960256	-0.43421718	-0.2772089	0.9803881	0.6190783	0.4404843	-0.06960258	-0.28737262	-0.85415256	-0.39392677	0.95351803	0.21430892	0.8466762	0.7403726	-0.26775205	0.7174361	-0.1087562	0.01751575	-0.06824466	0.99999976	0.21832903	-0.9781609	-0.4089571	0.97851574	-0.50112134	-0.18503608	-0.99997634	-0.0910729	-0.8619866	0.41791028	0.30043375	0.24763675	0.5891647	-0.05486284	-0.40818265	-0.5245752	0.30849627	-0.59398574	-0.68694764	0.09557799	-0.6717444	-0.99970376	1	0.8885	0.7051835	0.28787664	-0.6152405	-0.007773719	0.26405588	0.26692137	-0.46629736	-0.27254894	-0.21348988	-0.8202821	-0.8013978	0.3103516	-0.3598609	0.034348898	0.3103312	-0.63542044	0.97914106	-0.9978159	-0.52053374	-0.743179	-0.64207155	0.06612025	-0.4749434	-0.3897358	0.38006726	-0.6093932	-0.43787953	-0.06964135	0.31594884	-0.3274538	0.9930888	-0.44371095	-0.0613084	0.84669393	0.6718151	0.5938876	0.8152971	0.17784253	-0.55683976	-0.5474167	-0.012209768	-0.2803376	0.6955054	-0.6162045	-0.043154906	0.40218505	-0.33257633	-0.5520578	0.4000283	-0.26856652	-0.3303008	-0.25422516	0.99978435	0.3275437	-0.4237978	-0.15838651	0.3309404	-0.12880996	0.99987423	-0.282943	0.003636778	0.73660356	-0.0571651	0.046505917	0.024720518	-0.9991819	0.040003896	0.42010882	-0.7071281	0.026798602	-0.23054376
328	0	CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4CC(=O)O)ccc3o2)n1	-0.49616754	0.46119744	-0.13576359	-0.31859615	0.2884134	-0.13521288	0.20074306	-0.15242273	0.7639591	-0.70554	-0.52274954	0.6308469	0.2781873	-0.099350154	0.5003792	-0.07214127	-0.006128688	0.0983534	0.45211998	-0.01678997	0.33606732	0.41664997	-0.24706347	0.30397123	0.34502727	0.30195788	-0.54174733	0.5207622	0.5095698	0.6469467	-0.5276034	0.24200362	0.7350107	-0.43575776	0.2739247	0.19198631	-0.32701072	0.5418451	0.9996471	-0.61676776	-0.192235	0.4044714	-0.061422832	0.47708187	0.037753217	0.8249786	-0.53212696	0.29828435	0.58275306	-0.13085695	0.64659315	0.8087808	-0.41806266	0.27123576	0.15983424	-0.5646834	-0.116358645	-0.8743083	0.4133328	-0.22299527	-0.023755608	-0.24502718	0.62338275	0.47069436	-0.5282495	0.15127473	0.62270075	0.39373484	0.38164717	0.40689403	-0.9299233	0.48055506	-0.5052087	-0.90807426	0.23091623	0.13537161	0.08584637	-0.6825587	-0.1533144	-0.99930006	0.2685194	-0.086545266	-0.9084376	-0.0744997	-0.2075073	-0.98940307	-0.5807344	-0.23416321	0.61499393	0.6520045	0.36433348	-0.600713	-0.19882378	0.15396549	0.99099517	-0.49005237	0.8446435	0.2550115	-0.21258844	0.5166649	0.54603124	0.64636576	-0.206117	0.976372	-0.9996647	-0.90327406	0.67705464	-0.1359152	-0.9446503	-0.10272635	0.31515494	-0.49641404	0.5940838	-0.003434949	0.31887388	0.41131118	0.13499655	0.2658101	0.5497984	0.44607565	-0.075256325	0.56419027	-0.21352607	0.15314507	-0.574026	-0.05742185	0.06016646	-0.25029507	-0.047490668	0.9999366	-0.037275594	0.52598155	0.54470813	-0.41157824	0.002175929	-0.96418005	-0.69470376	0.17740837	0.53957146	-0.58737385	-0.99999774	0.7118813	0.3395762	-0.3681565	-0.33953443	0.9088628	-0.6619802	-0.001035017	-0.9978729	0.040938478	0.02302343	-0.30837202	-0.31128117	0.5349845	-0.6706275	-0.27281386	-0.51256025	-0.98117715	-0.6999702	-0.8362017	0.45148152	0.37124765	0.32726574	0.21964265	-0.5882124	-0.29936284	0.18127222	0.40261158	-0.21104395	0.43825534	-0.6607268	-0.47530812	-0.34471628	-0.42582905	0.74167156	-0.7721205	-0.66052765	-0.2090762	-0.4855762	0.21499257	0.4468758	-0.8219557	-0.14746088	0.7459946	0.51690304	-0.30242255	0.28999618	-0.47596732	0.79475933	0.7672664	-0.4160966	0.31674218	-0.26816422	0.34834257	0.40158904	-0.4260599	0.6017685	-0.544267	0.16881561	0.46910113	0.910763	0.15923743	0.8331706	-0.47405648	0.5978367	-0.38518882	0.7324139	-0.84117717	0.21174805	-0.999869	-0.2163076	-0.6679784	0.5332235	-0.02720605	0.6390554	0.33365706	-0.72616374	0.51713645	-0.7400655	-0.8206919	-0.28547978	-0.4600469	-0.22851096	-0.5381386	0.98512554	0.3277521	-0.6514275	-0.08149562	-0.041517276	-0.26360282	-0.41863087	0.10929403	-0.22508486	-0.31388798	0.5601539	0.2335812	0.18555258	0.2348996	-0.31561193	-0.70493454	0.932791	0.510068	0.2311552	-0.522311	0.5358733	-0.17132108	0.18198766	0.18339571	-0.44354892	0.6506179	0.064743385	-0.1593639	-0.7115705	0.77783364	-0.38518128	-0.04845459	-0.3755126	0.057076108	0.20372672	0.015038217	0.4046279	0.1138128	0.0000408	-0.6557784	-0.07356202	-0.053342722	-0.20205769	0.22736119	0.94415325	-0.14197955	0.22474664	0.9967529	-0.28899145	0.67488956	-0.46295467	0.5135151	-0.2719178	-0.14809415	-0.23626754	-0.05249461	0.6775931	0.9140439	0.4613086	0.46225494	-0.19462156	-0.117161654	-0.3410474	0.76915526	0.4108277	0.124774635	0.8293584	-0.65763587	0.40699136	0.13826577	-0.6176835	0.7193346	0.999998	-0.9962592	-0.10411932	0.33593068	-0.009290957	0.40133876	-0.6588041	-0.3905471	0.7510614	-0.24014197	-0.99948275	0.18028215	0.7244283	0.29435	0.1167446	0.61701113	-0.5197741	-0.16276143	0.5491846	0.2997596	-0.46919352	-0.46966684	-0.96945816	-0.34225768	0.5429113	-0.21563704	-0.0625731	-0.8335149	0.39085427	0.12377613	0.45138493	-0.87300336	-0.11867124	-0.2980678	0.32552102	-0.2218769	0.8346078	0.3438265	0.85686547	0.937053	0.519899	-0.60450387	-0.01746289	0.452497	0.035430197	0.5686518	-0.22240715	-0.5093173	-0.78263754	0.83661413	0.8139511	-0.47913077	0.7965849	-0.97818905	-0.36049736	0.1684856	-0.5984893	0.15630472	0.6488339	-0.78870076	-0.7079351	0.99718714	0.003417829	-0.48250437	0.030857842	-0.56237245	0.002814788	0.4414077	-0.924532	0.23894091	-0.426431	-0.2693363	0.6100049	0.3270459	0.27979812	0.20477284	0.22876818	-0.84952223	-0.030839052	-0.9999999	-0.2218104	0.2371987	0.18157345	-0.5254848	0.3250118	-0.01903869	-0.17214672	0.23928022	-0.2309965	0.69291645	0.43907475	0.3133264	0.1621876	0.6597411	-0.40331328	-0.38256457	-0.6301524	0.5020337	0.6793281	0.3204286	0.1281005	-0.5249929	-0.5394876	-0.6052408	0.8582483	0.28604648	-0.16832429	0.10410926	0.25289056	0.39899543	-0.8503002	-0.21144152	0.382661	0.5185921	-0.22581954	-0.13051489	-0.36597037	0.089127325	0.17512874	-0.4639221	0.9998962	0.24910358	-0.97559553	-0.13785236	0.9979273	-0.6874859	0.7119488	-0.99943393	0.09975187	-0.90681076	-0.3032215	-0.4355599	0.72139126	0.16397578	0.60382587	-0.85100055	-0.6029643	0.3984868	-0.5003792	0.47633794	0.25987202	0.4491068	-0.9995236	1	0.90092397	-0.7332206	-0.8738218	-0.22421966	0.44548014	-0.24480943	0.1516098	-0.44734037	-0.2602978	-0.09628716	-0.6735723	-0.025101395	0.4904101	-0.70756143	0.13040866	-0.1909569	-0.13316168	0.98986644	-0.99535364	-0.2044951	0.012512269	0.4655084	-0.001832945	-0.21884087	-0.8582256	0.7473523	-0.34350824	-0.73054534	0.10975098	0.054771055	-0.33795863	0.9916852	-0.5838121	0.5401793	0.7233057	0.344727	-0.23488146	-0.48612463	0.19662908	0.058492377	0.2631849	-0.44862506	-0.8404596	-0.4665713	0.63873273	0.1656611	-0.14181934	0.38348225	-0.06351179	0.6203219	0.33316982	-0.1399176	0.16492717	0.99967706	0.63385385	0.5162823	-0.44821337	0.12084007	0.18929002	0.99993634	0.42629611	-0.49726793	0.57241577	-0.34139112	0.23918074	-0.46918014	-0.99915105	0.42055446	0.5771321	-0.48535544	0.099565685	-0.67054063
329	0	Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)(C)O	-0.7801027	-0.1890086	-0.22925611	-0.37807643	-0.15586472	-0.054098375	-0.35079372	-0.011687939	0.68154556	-0.3411328	-0.8025947	0.6223644	0.06789625	0.7479757	0.19579905	-0.44676077	-0.6364719	-0.0933973	0.6008101	-0.14185794	0.57805336	0.23135597	0.04002781	0.43148553	-0.047332615	-0.12688561	0.2756886	-0.21612334	0.67917335	-0.26249656	0.36516294	0.41603622	-0.5130143	0.6156156	0.07451835	0.33761933	0.33841914	0.34596574	0.99951285	-0.7904953	-0.47991484	-0.029393803	0.31186855	0.57534707	-0.19955833	-0.12617053	-0.4319354	0.16688195	0.40949452	-0.023467472	-0.2808761	-0.24642397	-0.009687099	0.33987513	-0.63161445	0.34784794	-0.74258536	-0.7111889	0.020207748	-0.047346883	0.7401836	0.64374745	0.1493672	0.61839265	0.12684712	0.336921	0.67986935	0.32669094	0.81776756	0.3735125	-0.9253405	-0.11081945	0.062125083	-0.90383	0.90888304	-0.4823553	0.09757347	0.51261204	-0.67425674	-0.99777186	-0.54113054	0.56047773	-0.9500805	0.0245201	0.48215654	-0.97020876	0.04385701	-0.6455956	-0.44762993	0.21855187	-0.46223444	-0.7191681	0.35294434	0.6408831	0.9951533	-0.082342826	0.7686687	0.45263195	0.53133106	-0.049171854	0.39279532	0.37914628	0.25837088	0.8076213	-0.9974141	-0.22433046	-0.10452929	0.2040149	-0.999746	-0.5327033	-0.16957323	0.41659814	-0.646239	0.044612676	0.32149377	-0.024273954	0.3064863	0.39377272	0.9729502	-0.13868508	-0.30437043	0.2895723	-0.3215205	-0.1426136	-0.6531867	0.304915	0.13468373	-0.30205607	-0.13190693	0.99997103	0.21934143	0.25028828	0.6595619	-0.43550652	0.71140516	-0.90473294	0.5296405	0.5428497	-0.3573379	0.65699524	-0.9999899	0.35777703	0.8887943	-0.52821964	-0.7903627	-0.1485981	-0.16207182	-0.29025012	-0.9598409	-0.21238025	-0.09366226	0.6586493	-0.08978142	0.20820653	-0.1821491	-0.23785172	0.12321629	-0.5701385	-0.9555347	0.58672744	-0.41974562	-0.16583313	0.34397507	0.5907315	0.3279343	-0.52007586	0.7305612	-0.23541951	-0.42596462	0.8924782	-0.64487416	-0.18112911	-0.20716535	0.18084733	0.28646988	-0.8854643	-0.7742385	0.7754723	-0.15863852	-0.4052936	0.09316885	-0.53360385	0.0354794	-0.56896275	0.2654201	-0.33511317	-0.5103899	-0.26263916	-0.6565052	-0.7321441	0.11095991	0.23162243	0.011249576	0.21640587	-0.32912955	0.07441443	0.09339905	-0.5495021	-0.11523177	0.6034796	0.6799136	-0.31534314	-0.47136942	0.06626895	0.24669585	-0.27366516	0.02941021	-0.07166091	0.26356617	-0.99990463	-0.6755216	-0.045948587	0.18978207	-0.49660304	0.4166737	-0.7797452	0.05696606	0.051852904	-0.20724985	-0.26043853	0.528584	0.3784657	-0.6679133	-0.104676254	0.99191594	-0.3033692	0.59254104	0.2684102	-0.53766876	-0.048138775	0.13576694	-0.39095542	0.3425423	-0.69387925	0.18546481	0.16276363	0.17441227	0.42513978	-0.6973219	-0.6270686	0.78337723	0.1712451	0.41111743	-0.9176275	0.36636174	-0.5602356	0.43315423	-0.098007366	0.025355546	-0.7477633	0.5432668	-0.7342001	-0.05644777	-0.42545062	-0.15950374	-0.2004752	-0.35697365	0.5292235	-0.20704976	-0.21247979	-0.53218186	0.79229695	0.7018302	-0.73125726	0.19523083	-0.7868793	-0.29685798	-0.34855923	0.5010273	0.14024723	-0.009530054	0.9911725	0.5138092	-0.4906356	0.11437956	0.08585813	0.13732983	0.5902401	-0.4699287	-0.6145337	-0.14592437	0.99317056	-0.4449331	0.22961842	0.01705305	-0.36367127	-0.073413074	0.32575056	-0.93871003	0.2712963	-0.6297992	0.6714862	0.18347833	0.45900095	-0.2997735	-0.33772436	0.9999964	-0.9959192	0.33316317	-0.110034466	0.15582584	0.40786386	-0.73556143	-0.57211345	0.0940219	-0.89633006	-0.9799742	0.22331811	0.7015656	0.2008187	0.031907618	-0.8046783	-0.35880578	-0.5931055	0.64456993	-0.42990053	-0.20092635	-0.6178004	0.8792273	-0.08016228	0.33620098	0.17213124	-0.066392384	-0.709559	-0.3736823	0.049920008	0.8275616	-0.967374	0.49142435	0.20816277	-0.18853267	-0.026097529	0.321144	0.19225232	0.13334231	0.9104161	0.32787374	0.44599137	-0.6266519	0.6474168	0.42019045	-0.47504878	0.44322735	-0.5802521	-0.50055873	0.5247612	0.13952586	0.30512184	0.0736831	-0.9291322	-0.90813714	0.005606808	-0.08399066	0.29103717	0.72141963	0.48897937	-0.41839284	0.9998394	-0.3645631	-0.42085242	-0.45179647	-0.3432607	-0.3059242	0.1600323	-0.9300748	-0.08758686	0.53205633	0.21717301	0.5214993	-0.4722316	-0.07313329	0.20762324	0.4026453	-0.1016539	-0.68787634	-0.9944208	-0.20538066	0.60591316	0.16682553	-0.430704	-0.2750055	0.5403837	-0.60891384	-0.08991057	-0.030257208	-0.40907246	0.13485676	0.40495557	0.10680576	0.59332895	-0.45226476	-0.64392257	-0.27869388	-0.66887724	0.4578049	-0.12947215	0.51991373	-0.24615122	-0.10547832	-0.55248946	0.17624916	0.27377772	0.8145178	-0.38929063	-0.40884864	0.25735742	-0.33725634	-0.7168127	-0.27430195	-0.25347263	-0.04680603	0.6903718	-0.044368733	0.18747778	-0.09193101	0.7464825	0.95637345	0.73876935	-0.987595	-0.063960284	0.99898505	-0.4159705	-0.6888913	-0.98585916	0.15217258	-0.43433994	0.57364655	-0.059788533	0.60333544	0.30730897	-0.51993424	-0.8165808	-0.07384572	0.20382102	-0.16800371	0.22374028	0.2936252	-0.49505657	-0.9999644	1	0.037564404	0.3626091	-0.06544529	0.47021392	-0.10762965	-0.706298	-0.8458697	0.45480496	0.17984737	0.77040887	-0.89368916	-0.2808288	-0.5765499	-0.30506748	0.11318694	-0.15357558	0.118774295	0.8752097	-0.99976695	-0.5849492	-0.6680332	0.09326857	-0.628235	0.7058253	-0.9463009	0.54127467	-0.5789543	0.4834118	0.18598947	-0.08521943	0.18355197	0.9869986	0.09946491	0.6721586	-0.78147495	0.42244956	-0.43533823	-0.86914796	0.06540653	0.4796758	-0.8586051	-0.68043506	-0.83431154	0.29038623	-0.6807742	0.7483722	0.48731136	0.30277348	-0.44605583	0.783367	-0.16366138	0.3827713	-0.412542	0.99768096	0.01221811	0.44915605	-0.34232676	0.3478584	0.40615106	0.9996991	0.30555484	0.6833862	-0.03250326	0.030028202	0.45479834	0.24003881	-0.99678797	-0.5464202	-0.039671063	0.33825392	0.50778747	-0.37521547
330	1	Cc1[nH]cnc1CC1CCc2c(C)c3ccccc3n2C1=O	-0.08621379	0.14113687	0.34848636	-0.6149948	0.39130816	-0.4337987	-0.14187206	0.04998122	-0.75162745	0.07212313	0.13154642	-0.114919655	-0.19714181	-0.73404664	-0.057009645	0.29176274	0.22484954	-0.08924804	-0.20088558	0.1528598	0.50620306	-0.47938347	-0.5967513	0.5740664	-0.88795805	0.015665276	-0.003722144	-0.18915604	-0.07647718	0.40426034	-0.33629048	0.18483019	0.6458567	-0.89062774	-0.4394948	-0.42169034	0.3012261	-0.3558851	0.99794024	-0.61576504	-0.77376384	-0.04717821	-0.57447004	-0.18948975	-0.38223457	-0.70357615	-0.18598792	0.13982943	0.09475799	-0.24481106	-0.31143892	0.07640915	0.4563829	0.17517914	-0.6540299	-0.20770621	-0.42198962	0.019822568	-0.17827342	0.34012312	0.79368603	0.002254849	0.103071116	0.4623653	-0.101795174	-0.6756558	-0.20275627	-0.56738144	-0.1447628	0.17675692	-0.8745932	-0.9193718	-0.11811071	-0.67885345	-0.007293657	0.40464938	-0.59053683	-0.1470536	0.380466	-0.9998713	-0.76040626	0.14964655	-0.98250985	-0.035993718	0.063480444	-0.84640193	0.41454577	-0.4476	-0.47293603	-0.18605119	0.23858446	-0.113528125	-0.67474216	-0.14993131	0.9846665	-0.33232057	0.47259912	-0.2906497	-0.17678875	-0.09440386	0.14824682	0.19074862	0.12853435	0.92667204	-0.9804129	-0.4709017	-0.59751666	0.42023253	-0.9757274	-0.0366991	-0.6782945	0.94522804	0.6030507	0.32098317	0.05353931	0.63254166	0.31436652	-0.6094018	0.98889375	0.06740738	0.085506946	0.404968	0.3031691	-0.022982342	-0.5519447	0.21064122	0.4863727	0.03541701	0.44279197	0.99972063	-0.18869036	0.116500445	0.23531975	-0.2932167	0.8574306	-0.9784508	0.6531196	0.75349754	-0.5922494	-0.40150645	-0.9999987	0.16754358	0.9003869	-0.45945626	-0.7035105	0.5518193	-0.17858201	0.09509034	-0.8148216	0.29688916	-0.07625274	-0.682081	0.6862794	0.5730428	0.18936293	0.005155186	-0.17287166	0.4790246	-0.13321021	0.38293436	-0.87096256	-0.44195896	0.3013656	-0.063459985	0.15414977	-0.44621903	0.2409572	-0.80845696	-0.098978326	0.7229706	-0.4345589	-0.69321954	-0.29316688	0.30521518	-0.23320904	-0.63803416	0.16031614	0.684349	0.07950006	-0.77144927	-0.08940537	-0.7959192	0.5328393	-0.026963692	0.057415985	0.5206013	-0.30284572	0.37790993	-0.36669296	-0.1424915	0.27339822	0.29293588	0.5668592	0.3692833	-0.7159646	0.38489494	0.559115	-0.4984542	0.42147166	0.12632997	0.82177573	0.3408089	-0.30802456	-0.287217	0.7513187	-0.29982325	0.7781564	-0.43753195	-0.02125391	-0.999866	0.2891831	-0.16468534	-0.5477585	-0.3200316	0.09180434	-0.103810616	0.07570418	0.5571937	-0.120612636	-0.4627577	-0.50280213	0.23545264	-0.27824178	-0.22742806	-0.95127445	0.11981337	0.36409593	0.09104932	0.050733607	-0.4606683	0.030922534	-0.54337215	-0.10750425	0.438832	-0.23664631	0.22969507	0.4019105	0.3547181	-0.43245462	-0.41555887	-0.9558008	-0.49942765	0.19678284	0.24421935	-0.24675354	0.5122238	-0.5554654	-0.30662715	0.8464075	0.09200191	0.5112535	0.16223514	0.20499161	-0.23515819	0.17053556	-0.3192505	-0.13644193	-0.5399783	-0.06278645	0.4207269	0.47927895	0.2775255	-0.37610763	0.005264911	0.66033876	0.83068746	-0.31154004	-0.1912765	0.4028939	0.017893117	-0.75432163	0.99132276	-0.054367434	0.55584145	0.26465854	0.10647216	-0.2746569	-0.50383633	0.13988784	0.08560742	0.20183992	0.9981014	-0.69534975	0.44875625	0.35652956	0.15925369	0.16872181	0.37876377	0.731781	0.2866556	-0.00304657	0.9571208	-0.5968177	0.015198207	-0.47761208	0.12174573	1	-0.98376715	-0.23021717	0.502528	-0.15995216	-0.44991866	-0.45226634	-0.6748492	0.7412114	-0.17937459	-0.8371192	-0.18166456	0.27162746	0.09849062	-0.46492076	-0.66511256	-0.23251773	-0.10387876	0.39554775	-0.4626174	0.27753147	-0.1943466	-0.8817687	-0.54780006	0.2107159	0.3612137	0.7174889	-0.19326629	-0.25650805	0.19421576	-0.06705589	-0.7468156	-0.07729658	0.23025958	0.4375431	0.4702293	-0.12726296	-0.27118328	0.70204663	0.47537857	0.07079454	0.6472546	-0.52220464	-0.1996289	0.298641	-0.05926643	0.72812086	-0.30978924	0.058033194	-0.23404366	-0.059196696	-0.078105874	0.24377665	-0.6747397	-0.9631312	-0.5049413	0.09968177	-0.039021496	-0.07965509	0.65332276	-0.62188715	0.99949384	0.4300044	-0.6127552	0.089473836	0.6932082	0.30517313	0.3879479	-0.86237866	-0.044912294	0.21503046	0.043128397	0.28272977	-0.3768779	-0.07228046	0.24431597	-0.08112966	-0.5404563	-0.30458653	-0.99999976	-0.17777455	-0.16001415	-0.26163927	0.19169505	-0.32135388	0.11630224	-0.37185192	0.40854952	-0.30804572	0.16271196	0.33033007	-0.34732053	0.25101498	-0.4155712	0.061970264	-0.5049918	-0.038861744	0.3748057	0.08665013	0.37352842	0.736674	-0.62252146	0.27083382	-0.16564274	0.025325198	-0.46199304	0.074347764	-0.673731	0.014935688	-0.15684055	-0.40592694	-0.8463997	0.003506804	0.45602044	0.51949036	0.040862717	-0.52002394	-0.80626243	-0.06896305	0.10660436	0.99966884	0.2711727	-0.97555	-0.20892394	0.99963725	0.30023342	-0.44975334	-0.9989681	-0.086883865	-0.3298083	-0.38697103	-0.7118692	-0.42194876	0.23151456	-0.8278761	-0.06634145	-0.46700168	-0.09393294	-0.4525583	0.29482362	0.2946914	-0.39086232	-0.9999548	1	-0.31068718	-0.17328179	0.57530075	0.09254722	-0.005363789	0.08428642	-0.12930857	-0.28677657	0.3479387	-0.37237272	0.087917574	-0.3187588	-0.029289706	-0.043032646	-0.74666554	0.5493621	0.3304225	0.19897434	-0.99982035	-0.6704774	-0.7475338	-0.58738244	0.20187646	0.37605318	-0.90545714	-0.67222875	0.2672564	0.010002893	0.013970936	0.7884642	0.4023264	0.98427254	0.35659078	0.72027045	-0.09244724	0.33093807	-0.14049073	-0.25143188	0.42517722	0.5630692	-0.2524422	-0.23219305	-0.5914546	0.46569467	-0.2897563	-0.021691725	0.046494868	0.115998045	-0.3745399	-0.25910512	-0.6695806	-0.058808714	-0.42185125	0.9904667	0.9389657	0.3049912	-0.22145806	-0.35421294	0.36373332	0.9999737	0.12475015	-0.4322883	0.4440356	0.2390164	0.46770215	0.8191207	-0.9941337	0.40865365	0.5290997	0.096925184	0.45828536	0.07122569
331	1	CC1(c2ccc(Oc3ccccc3)cc2)OC(=O)N(Nc2ccccc2)C1=O	0.9312369	0.041677307	0.5595332	-0.2852503	-0.06153317	-0.7203711	-0.36556658	-0.25464642	0.10773551	-0.07159365	-0.3738442	-0.249744	-0.31389883	-0.5511076	-0.16917804	0.19844134	-0.69348884	-0.32934874	-0.34154955	-0.132661	0.76241475	-0.1752233	0.63623077	-0.14584836	0.17315556	-0.37281966	-0.019546457	0.41287318	0.38769704	0.22665267	-0.5058844	-0.25359556	-0.4054605	0.4608189	-0.20340748	-0.29342857	0.42363694	0.12249603	0.999473	-0.6624232	-0.7689144	-0.25585693	-0.47157228	0.77950275	0.41168103	0.40326804	-0.5953043	0.058896624	0.80928844	-0.40406877	0.1541181	0.27067852	-0.36982065	-0.39886642	0.44529057	0.6238729	-0.43660486	-0.7222267	-0.019062776	0.27838862	-0.34466085	-0.0009988	0.4722046	0.274817	0.005524972	0.57807904	-0.106166765	0.70494455	0.12319837	0.6451429	-0.59614736	-0.7228233	0.06854843	-0.2828307	0.135291	-0.43880004	-0.112231426	-0.04090097	-0.040696185	-0.9985399	-0.30460772	0.26581037	-0.9071978	-0.2533223	0.17985494	-0.88997567	-0.16679287	0.046676155	-0.14090677	0.094426475	-0.16182438	0.37286454	0.060780175	0.3206174	0.99917924	-0.51049936	0.31052253	0.10911842	0.17970881	-0.48850632	0.4365378	-0.057465203	0.32586008	0.98750484	-0.99887484	-0.7892939	0.349773	0.330839	-0.8992192	0.15816613	-0.08192043	-0.28854623	0.802919	0.112323985	-0.2871193	0.5190856	0.14031705	-0.09557836	0.93775463	-0.14983983	0.4759605	-0.36506823	0.29144832	-0.5005768	-0.41726658	-0.64298284	-0.43700498	-0.78276736	-0.3241634	0.99957913	-0.54220885	0.3469178	-0.1473482	-0.29601634	0.24113305	-0.98763317	-0.19978836	0.6962461	-0.50196594	-0.2406289	-0.99999994	-0.088464074	0.44813526	-0.5129573	-0.3580583	0.52126664	0.033639736	0.57377964	-0.99124587	-0.1252514	0.6943579	-0.004621606	0.1477488	-0.5241861	0.46159813	-0.29647243	0.2340233	-0.8267464	-0.6621524	-0.043687623	-0.24976924	-0.7249004	-0.15942591	0.57885784	0.2567011	0.2946868	0.3730707	0.34934378	-0.111877695	-0.14780574	0.072435856	0.10457436	0.4119822	0.3507405	0.44288704	-0.9108051	-0.39849013	0.000881886	-0.73566157	-0.4779131	0.55491763	-0.9445675	-0.7348489	-0.009636543	0.5214135	0.42658734	0.71681875	0.14059922	0.24253356	-0.4722279	-0.3882707	-0.4429644	0.47480965	0.107313395	0.006119513	-0.56498903	-0.51651436	-0.7925199	-0.30281353	-0.107737064	0.45440456	-0.39480555	-0.014470148	-0.045376614	0.6812317	-0.25115886	-0.18456045	0.028072577	0.73033303	-0.99993426	-0.8190487	0.21330935	-0.3466643	-0.46809307	0.8133174	-0.23608685	-0.73652947	-0.018364167	-0.059828255	0.5736059	-0.057461537	0.31634977	-0.47691604	0.16882743	-0.9416136	-0.19150162	-0.47267035	0.35321465	0.37840986	-0.090298735	-0.41355017	-0.08968323	0.7499261	-0.6770419	0.395749	-0.41440526	-0.5710496	-0.050056342	0.5541163	0.11371521	0.7974202	0.60773766	-0.6212113	-0.55889016	0.29207215	0.5358367	0.06726683	-0.0977257	-0.28740224	0.38997674	-0.29001617	0.15719482	-0.051480196	0.6201968	0.42713425	-0.03587091	-0.24768245	0.41372183	0.6485003	-0.06774912	-0.19022582	0.82555443	0.12419098	-0.8769569	0.5206649	-0.29188618	0.17158282	-0.034290534	0.34693664	-0.34181154	-0.58892107	0.9971051	0.20100802	0.10102039	0.15477844	0.68540525	0.6840073	0.30238962	-0.6776889	0.23976605	0.6138425	0.98497623	0.052661207	-0.10811676	-0.41221878	0.014823132	-0.06974095	0.6354897	-0.8498972	-0.5881446	0.030884048	0.34821796	0.53846	-0.52563137	-0.086684495	0.2855014	1	-0.986852	0.6726728	0.43808877	-0.33006778	-0.5355198	-0.22076918	-0.01988208	-0.6276129	0.27700964	-0.99163663	-0.21994676	0.8724594	-0.11764846	-0.051561493	-0.246959	0.124636665	0.027946489	0.038528394	-0.17359996	0.7391862	-0.16774377	-0.88498527	0.6428745	-0.07330159	0.13441992	-0.03800714	-0.5564433	0.061325863	-0.48045516	-0.8644278	-0.7302592	0.3276787	-0.3419794	0.41663757	-0.35585308	0.5768502	-0.14524482	0.65019137	0.65173805	-0.3693998	-0.076810755	-0.2144063	-0.12940644	-0.34816647	-0.029870586	-0.60434467	0.6072813	0.0238493	-0.37870347	-0.5246728	0.81458485	-0.43357652	-0.9676527	-0.75311613	0.25302732	-0.4419794	0.08879442	-0.5737728	-0.035959024	0.17717463	0.9997639	-0.052710455	-0.10269305	-0.15993595	-0.007394839	0.38108125	-0.36033666	-0.8810163	0.4906386	-0.38089257	-0.008847281	-0.5853898	0.53004885	-0.23696887	-0.5691015	0.33077377	-0.56718916	-0.1623518	-0.9999998	0.03163132	-0.2163941	0.08163807	-0.46606255	0.08446471	-0.7409047	-0.01770014	-0.13273366	-0.3163549	-0.050643627	0.010242674	0.7036358	0.19659281	-0.23262039	0.111370884	-0.093022354	-0.613265	-0.089570016	0.009963074	0.49543744	-0.51384854	-0.27401435	-0.37508458	-0.29492366	0.7753789	-0.014438733	0.2693694	0.5500003	-0.66576713	-0.69170064	-0.49923626	-0.22665064	0.1948061	0.06072799	-0.27642518	-0.03012439	-0.005830898	-0.2595778	-0.00541682	-0.3619836	0.99984086	0.05998675	-0.9786953	0.08010742	0.9997248	-0.5257546	-0.11540343	-0.99829876	-0.13049331	-0.94658256	0.3582147	0.7034554	-0.3497221	0.36896157	-0.749562	-0.25866088	0.1161989	-0.15817007	0.05420023	0.113617264	0.7262308	-0.64005077	-0.9999327	1	0.41631123	0.019656155	-0.20822659	-0.014990392	-0.39437753	-0.016329788	-0.44490716	-0.4256636	-0.12167727	0.19144511	-0.5759824	-0.68214697	-0.039813012	-0.5405841	-0.115888335	-0.18256405	-0.2437688	0.9194307	-0.9994036	0.20533723	-0.38574633	-0.18739057	-0.2793781	-0.7444295	-0.7159236	0.25941083	0.31777728	0.20281851	-0.61901253	-0.16397458	-0.19076888	0.9589013	-0.24557018	0.6334533	-0.23243642	0.21726666	0.22252752	-0.116794534	-0.3046957	-0.5771207	0.010640898	-0.28634045	-0.98697513	0.045728724	0.3930263	-0.07138816	-0.6505623	-0.1264258	0.25685143	0.5250857	-0.41579872	-0.3316498	0.60981375	0.99857104	-0.12627652	-0.16234463	-0.32211143	-0.21906321	-0.12605685	0.9999647	0.80951095	-0.07507696	0.05112534	-0.6833623	-0.059782803	-0.424291	-0.99722815	0.35251608	0.6031311	-0.65318614	0.52824605	0.2611595
332	0	CCc1cc(C2=C(C(=O)[O-])N(c3ccccc3C(F)(F)F)S(=O)(=O)c3ccccc32)cc2c1OCO2	-0.19486631	-0.4957443	0.30903277	-0.09672997	-0.44986612	0.42335102	0.1747631	-0.2446961	0.5060804	0.40629694	0.046637133	-0.06465133	-0.22532687	-0.037980918	0.2965956	-0.3329972	-0.667925	0.003834856	-0.4557762	-0.4923916	0.16615604	0.67511356	0.20240478	0.5229364	0.779914	-0.2732069	0.59361476	-0.3908077	-0.34333718	-0.14673665	0.051684625	-0.80449885	0.14916626	0.37951416	-0.14565381	-0.16820583	0.48815206	0.75404763	0.99989724	0.3403878	-0.11000152	-0.4239612	-0.07036639	-0.30082428	0.067654975	0.99093556	0.41654018	0.54266787	0.5025057	0.6695236	-0.5087118	0.823662	-0.17856851	0.14363877	-0.08806289	-0.11336984	-0.6966867	-0.9940489	0.243268	-0.7075839	-0.4763171	-0.1096204	-0.22744766	0.21698679	-0.64733416	0.5682676	-0.37585357	-0.525218	0.01354179	-0.45212913	-0.8848889	-0.80981326	0.6376701	-0.19719018	-0.5247029	-0.16558117	0.44344866	0.07326176	-0.18016616	-0.99989355	0.6358502	0.52964014	-0.97929484	0.3922935	0.011358169	-0.81226206	0.63401604	-0.1325173	0.031199096	-0.056049354	0.33313894	-0.45307985	0.03877239	0.24656451	0.9975187	-0.08193626	0.19906652	-0.19261928	0.15310326	-0.02647924	0.44395608	-0.7766879	-0.09941049	0.5650251	-0.99994504	-0.5557156	-0.023942605	-0.087369785	0.9347939	-0.22778921	-0.3403388	0.11644731	-0.5935165	-0.81492543	0.19543035	0.5946735	0.355185	-0.22195694	-0.4698925	-0.82423127	-0.17492503	-0.08186477	-0.34520468	-0.6405908	-0.28869808	-0.22997834	-0.45361555	0.38907668	-0.5000913	0.9985637	-0.32163256	0.30792204	0.18982725	-0.058321062	0.20056972	-0.9940427	0.7297832	-0.032747813	-0.36051127	-0.48334372	-0.9999998	-0.035469547	-0.7453871	0.40835515	0.6381574	-0.55520374	0.7221173	-0.28072998	-0.9999482	0.714396	-0.53218275	-0.41131663	-0.07934726	-0.23516032	-0.63246983	-0.000287544	0.5762182	-0.9994949	-0.87950337	-0.93665785	0.9024539	0.78068286	-0.7431236	-0.0582374	-0.24255797	0.36313313	-0.2135382	0.118844114	0.6088484	0.7836366	-0.6352938	-0.13124774	-0.5396578	-0.15366246	-0.2829988	-0.80479056	-0.1905979	0.20697634	-0.5179041	-0.23263927	-0.5049915	-0.99755204	-0.614712	-0.83947015	0.9501984	-0.30651817	-0.000547603	-0.50418884	0.32201782	-0.26925683	0.07294707	0.72067785	0.06258642	-0.59590113	-0.4012069	-0.3556634	-0.18172121	-0.42360055	0.22592123	-0.28781712	-0.33642587	0.5332576	0.20114198	-0.5206207	0.2965204	-0.109490186	0.7282503	0.41566074	-0.3601157	-0.999842	0.5353048	-0.11108926	0.18646108	0.30101034	-0.29107362	-0.45493752	-0.55739355	-0.2422435	0.57156414	0.057716314	0.6578332	0.28526613	-0.44876173	0.106798455	-0.98261344	-0.7541675	0.33384326	0.24248405	0.3399367	-0.48345336	-0.6713183	0.24727158	0.7870172	0.23296678	-0.4093428	-0.6284098	0.5899788	0.11926183	-0.5168665	-0.60997105	-0.33956227	-0.70760894	0.4429907	0.36254716	0.43923998	-0.71294177	-0.41428974	-0.85202575	0.59590095	-0.063035265	0.14321707	0.6999448	-0.77631265	-0.16944753	0.16562739	-0.6088914	0.27722585	-0.035610817	0.31042793	0.31299224	0.07151489	0.6503414	-0.14411424	0.46080527	0.7238065	0.74715585	-0.7241805	0.323468	0.98118246	0.6691564	0.118287735	0.99948496	0.31302267	-0.4256132	-0.5020036	-0.13690314	-0.02452277	-0.5379383	-0.8856244	0.35965395	-0.26412195	-0.17675762	-0.834531	-0.40774417	0.15765233	0.68955874	-0.41507035	0.8394132	0.8000388	0.22413285	-0.44706282	-0.9891471	-0.20168978	0.66453	0.6004205	0.04320562	1	-0.9626835	-0.66614693	-0.7019215	-0.48162907	-0.15611838	-0.087131515	0.75608104	-0.4657008	-0.19574124	-0.9998686	-0.14952895	0.4839665	-0.8894796	0.4519723	-0.5899814	0.35534927	0.23405954	-0.9412914	0.3067502	0.057549533	0.062988125	-0.9997851	-0.49476662	0.26230073	-0.35608813	-0.5395448	-0.6904982	0.5475437	-0.36926237	-0.740126	-0.42348403	-0.45207703	-0.62462664	0.60573167	0.12969936	-0.31698895	-0.40359446	-0.09098788	0.5896276	-0.5481644	0.6717436	-0.000408748	0.09059557	0.017636646	0.7779482	0.34494624	-0.5481786	-0.06565244	0.34777203	0.48591095	-0.145191	0.24193889	-0.9971558	0.93591034	0.7698212	0.37107143	0.45004565	-0.16945629	-0.21514754	-0.3724233	0.9998309	0.13408712	0.3916959	0.2347943	-0.0668148	-0.3153654	-0.34742752	-0.88686264	0.8657629	-0.25989416	0.14979249	-0.18026705	0.27888075	0.08458659	-0.57645255	0.70171815	-0.8263777	0.24765594	-1	-0.8256626	-0.010760546	0.64486635	0.91574126	0.07194281	-0.47247064	-0.654436	-0.21974598	-0.21560934	-0.34714347	-0.11888691	-0.24532337	-0.35264298	0.036573526	-0.08072666	-0.90571254	-0.59460557	-0.13845238	0.21938299	0.0514216	-0.34575686	-0.672129	0.7739544	0.5879786	0.9923016	0.24870864	0.42296454	-0.6089127	-0.062424082	0.001965886	-0.7365474	0.6548696	0.53994715	-0.7471832	-0.50531644	0.40818098	0.5257418	0.69867325	-0.008693169	0.44024402	0.9999989	0.034933846	-0.9657936	-0.48524773	0.9993577	-0.53577375	0.029791994	-0.9998919	0.076893836	-0.7248095	0.7251173	-0.006958535	-0.04224481	-0.045518853	0.45752075	0.27222356	-0.27158448	-0.27521467	0.012933293	-0.570839	0.10579271	-0.1493577	-0.99817353	1	0.95495254	0.7126166	0.10949753	-0.38421908	0.23171452	0.81488866	-0.7985946	-0.6451169	-0.8121732	-0.57777655	-0.923731	0.41786122	-0.47702467	-0.64035493	0.25972846	0.48621708	0.5379299	0.99793327	-0.92169935	-0.12647618	0.45520374	0.33533025	-0.37269047	-0.3321409	0.68877566	0.2171953	0.41438672	-0.18436871	-0.65393704	0.20821483	-0.26902324	0.9835418	0.31032142	0.7891916	-0.44076982	0.07523581	0.007212401	0.5528198	0.08079961	0.25377005	-0.16168469	-0.20603861	-0.95273095	0.3566046	-0.46287236	-0.26818722	-0.229068	0.68373466	-0.3669131	0.21923973	0.52150077	-0.007593481	-0.54877555	0.9997539	0.22738515	0.6771723	0.4358891	0.056667507	0.3836503	0.9861728	0.5957913	0.28352147	0.13556324	-0.6212468	-0.43038085	-0.43926814	-0.9973722	-0.8015495	0.7319878	0.107261494	0.54498094	-0.21045986
333	1	Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1	-0.355558	0.8203272	-0.6806939	0.080560885	-0.24671853	-0.3244742	-0.46241733	0.071373664	0.3781165	0.10732503	-0.2128128	-0.17517892	-0.058160163	-0.60907894	-0.39637837	0.75904113	-0.6679434	0.63479173	-0.19047666	-0.19840372	0.45269507	0.4510857	0.0885009	0.10780503	-0.15884867	0.24411742	0.5868094	0.5248275	0.35843948	0.20951368	0.07791237	-0.80146706	0.19965072	-0.76356024	0.13794413	-0.39070955	-0.68778867	0.34228814	0.99979913	-0.40271294	0.62052447	0.31903604	-0.28640327	0.051261097	0.18253593	0.99810034	-0.54849577	-0.07231421	0.43142748	-0.5555808	-0.21038675	0.7008421	0.35496262	0.49366683	0.29239416	-0.49235287	0.33955738	-0.99333155	0.2949485	0.08522552	-0.36906087	0.07579587	0.38552678	0.2125179	-0.39628053	0.6223195	-0.2535146	0.1504297	-0.6276822	0.45266923	-0.97482014	0.8389833	0.21735923	-0.7757058	0.486386	0.047792763	-0.17369409	-0.25618887	0.3209128	-0.99680877	0.10086017	-0.21146506	-0.9776578	-0.74700785	0.41916618	-0.9960871	-0.11914115	0.22034025	-0.41974187	0.13265069	0.7900669	0.39315575	-0.73577005	0.47232094	0.9970258	-0.28627607	0.6425415	-0.37333336	-0.6994332	0.31254834	0.21994647	0.42768633	-0.40997064	0.99716985	-0.99997824	-0.8605998	-0.08174852	0.82826394	-0.9995194	-0.44723895	-0.2011159	0.38196644	0.4250534	0.19677465	0.07615569	0.51926947	0.5848537	0.5727796	-0.9834367	0.4753975	0.6541523	0.53584766	-0.2877193	-0.22766267	-0.17914544	-0.6518192	0.003207337	-0.2941574	0.27401423	0.99995077	-0.52502733	-0.012454418	0.57297873	0.011985666	0.41788307	-0.953006	-0.7054586	0.015181153	-0.0332972	0.4331662	-1	-0.10764546	-0.71837616	0.073766276	-0.35118803	0.5408622	-0.56549674	-0.2610741	-0.9999937	0.63103414	0.10491815	-0.68307555	0.28720278	0.025011567	0.26029325	-0.42216894	-0.28015172	-0.99990064	-0.79504246	0.29560286	0.9878544	-0.87736845	-0.08838655	0.38032925	-0.44854498	-0.18189017	0.11217143	0.06008295	-0.402857	0.115185335	0.54749334	-0.4613065	0.5155417	-0.2376645	-0.06315827	-0.81808764	-0.6143514	-0.1130923	-0.62779933	-0.66085404	0.28521	-0.91954815	-0.008585305	-0.09179897	0.964043	0.04702875	-0.36217344	0.2185997	-0.06995329	0.58629304	-0.6901618	-0.34643158	-0.3912555	-0.35446343	-0.4132903	0.2471213	-0.24335639	-0.5933755	-0.099674076	0.55521196	0.9024545	-0.61255014	-0.19211838	0.32100675	0.6683647	-0.042036526	0.41665882	-0.70404273	0.065951414	-0.9999295	0.021258306	0.1730138	0.3423749	-0.06970211	0.6656486	-0.7706842	-0.7244654	0.15578842	-0.19471316	0.58474666	-0.31331816	0.022111649	-0.047442004	0.07699837	0.9952574	-0.42418188	0.24619272	0.38804224	0.38275927	0.19983159	0.32509837	0.073203325	0.3820822	0.44436112	0.49797192	0.43377015	0.5260812	-0.17240669	-0.004822528	-0.15123813	0.8896406	-0.26446244	-0.6973729	-0.13869143	0.68685615	-0.49250698	0.28709936	-0.003300696	-0.124964744	0.8515464	0.1264327	0.6163019	-0.28688693	0.018371368	0.058393132	0.47862828	0.16542646	0.47435534	0.40405202	-0.49072987	0.2819987	0.64662826	-0.1684479	0.30648768	-0.12056205	0.18249173	0.23122591	-0.20386064	0.6172652	-0.23361397	-0.41765934	0.9991493	-0.2716665	0.038241196	0.6318995	0.644307	-0.11030301	0.24982461	0.00709937	0.31323326	0.33033848	-0.8298474	0.12823895	-0.010266464	-0.48061806	0.58024406	-0.4823506	0.80264664	-0.93043697	0.41025504	0.08274243	-0.9992336	0.20788392	-0.86148715	-0.5811821	0.39630044	1	-0.99485403	-0.24169558	0.33544502	0.03239489	-0.71975183	-0.88128006	-0.55690855	0.62564933	-0.26865825	-0.9999831	0.5619192	0.9832984	-0.53478163	-0.56697124	-0.47186282	0.42403263	0.2861272	0.04724322	-0.16420059	0.037758358	0.45840758	0.87323904	-0.055636805	0.27227157	0.2209302	-0.40669143	-0.84507805	-0.64822096	0.011513075	0.8173858	-0.8755004	0.24024989	-0.08874435	0.80153996	0.09720849	0.18357433	-0.14436315	0.5420264	0.9718367	0.3731937	0.30969042	-0.37996182	0.084512204	0.1124927	-0.55823034	0.27945155	-0.008823568	0.385131	0.07046348	0.80755544	0.13749976	0.3359332	-0.9989076	0.96423674	0.1295507	-0.63893706	-0.1981282	0.30915177	0.12922578	-0.09487587	0.9991658	0.49556598	-0.3995436	-0.19334805	-0.18888462	0.41746432	0.03724713	-0.96175396	-0.12149074	-0.5646065	-0.69906986	-0.20098999	-0.460294	-0.2194707	-0.012483629	0.1735957	-0.95818365	-0.3336737	-1	-0.21878129	-0.39199817	0.5960222	-0.34330666	0.8187736	0.09321783	0.82421315	0.13289382	0.1966474	-0.0728774	0.40486735	0.63109946	-0.07584287	0.104494035	-0.09634073	-0.72382075	-0.809438	0.19161747	0.059575934	0.71938664	-0.17084713	-0.5847237	-0.94755507	-0.5778952	0.98627996	0.2058509	0.69923735	-0.65914655	-0.42647383	-0.24902812	-0.640611	-0.31058034	-0.031265948	0.5904225	0.2683449	-0.5621832	0.36106303	-0.7082794	-0.15535972	-0.47503	0.966648	0.828935	-0.98264873	0.068759896	0.9959049	0.063624926	0.08262725	-0.9933922	0.34838706	-0.95971286	-0.6814184	-0.564905	0.18228698	0.28362998	0.0967221	-0.9194232	-0.13801539	-0.16321705	0.3284402	-0.5581311	-0.009044747	-0.3623454	-0.8921952	1	0.9984378	0.252643	-0.4012999	-0.6700124	-0.46342674	-0.7026108	0.77138585	0.69074374	0.2288877	-0.042960934	-0.72612715	0.022118885	0.6749174	-0.16630843	-0.21970162	-0.531817	0.20659308	0.9997966	0.005660682	-0.124818996	-0.64372885	-0.4243203	-0.06114347	-0.26393992	-0.52597594	0.3023209	0.21945643	-0.13968235	-0.537932	-0.22353908	-0.5198276	0.99750775	0.31236926	0.046778023	-0.08772502	0.41591096	-0.45861536	-0.14312032	-0.016966673	0.3844834	0.3448874	-0.29550844	-0.9726413	-0.14455196	0.41954252	0.31756753	-0.06885679	-0.07052389	-0.2348367	0.7311649	-0.3835923	-0.7723379	-0.06875892	0.99993265	0.9022219	-0.4922425	0.29012603	-0.1773424	0.13634905	0.99989647	0.6879292	-0.16096415	0.6641443	-0.28694603	0.023272643	0.32799554	-0.9991615	0.019881846	0.6181611	-0.53957933	0.36385813	0.34723952
334	0	CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1	0.5317065	-0.057646435	0.039343603	0.52958876	-0.55893326	-0.5721256	-0.23603119	0.28371164	-0.3863841	0.30662373	-0.2986435	-0.1848691	0.04131924	-0.023713306	-0.017016685	0.7327689	-0.27838635	0.013254797	-0.5645663	-0.12992758	0.70346665	-0.15479834	0.17402886	0.74990785	0.39888957	-0.03295461	0.013279021	0.052682504	-0.7563837	-0.2794557	0.119818166	-0.051225353	-0.62763256	0.11996874	-0.38811117	0.45706472	-0.13698697	0.7476108	0.95358783	-0.5859081	-0.98106915	-0.13050327	0.6380802	-0.028342381	0.2457521	-0.9652605	0.4255379	0.05781804	0.99918044	-0.61659527	0.12689108	0.17996518	0.13078453	-0.75801194	-0.503102	0.07843989	-0.59116066	0.66275144	-0.3647555	0.050521486	0.030852359	-0.28720757	-0.024289828	-0.40379488	-0.015778266	0.77554584	0.18290429	-0.2784444	0.37483883	0.66516876	0.6058628	-0.9988714	0.5588761	0.13199303	-0.5761229	0.1977232	0.42217407	-0.85764164	-0.29008815	-0.99978507	-0.1533526	-0.37283868	-0.76340604	-0.22613572	-0.5302745	0.70222634	0.15663324	-0.44237205	0.016480803	0.42770916	0.16537553	-0.07469661	0.25516453	0.2727854	0.9997359	-0.35137528	-0.91183704	-0.019993136	0.5372607	-0.4233926	-0.06482844	-0.7436111	-0.006466502	0.6288885	-0.25338107	-0.8981751	-0.37093875	0.480682	0.99214375	0.17515765	0.5770098	-0.15499553	-0.3660756	-0.23642974	0.16423115	-0.6329108	0.45977494	-0.24468714	0.99938357	-0.34462377	0.06602484	-0.52524394	-0.3691544	-0.34202462	-0.4694136	-0.40482286	-0.26204002	-0.40700164	0.16594766	0.963009	-0.09135465	0.41988906	0.59658295	0.13670573	-0.56294334	-0.8566658	-0.19384609	-0.22225451	-0.44823986	-0.32981122	-0.99863976	-0.035386622	0.5057076	0.101267256	0.000819064	0.014077028	-0.3421266	0.12964265	0.7414686	0.008450318	0.31493574	-0.62630635	-0.77346605	0.02794283	-0.32447815	0.33002746	0.2088275	0.9921114	-0.2278948	-0.9888238	-0.9788135	0.5804349	-0.065794796	0.30526236	0.49120852	-0.03278081	0.02078346	0.49468154	-0.14310676	-0.4603521	-0.36877194	-0.024129454	0.55758655	-0.66379184	0.012014321	-0.68849796	-0.6437483	-0.5555475	-0.42082256	-0.3742337	0.35495454	-0.99965596	-0.38765967	0.06540138	-0.101789616	0.29003522	0.8148794	-0.2169499	0.4840596	-0.2456399	0.54678684	-0.06850958	0.31335184	-0.6958054	-0.19212618	0.17856425	0.6297368	-0.07247268	-0.39715767	-0.8582328	-0.69040275	-0.40377954	-0.6358552	-0.29330721	-0.6540492	0.33785084	0.3659712	-0.31908572	0.18196289	-0.99766815	0.44715345	-0.06845528	-0.58085704	0.59039545	0.7959432	0.49892417	0.2639129	-0.14478272	-0.2687665	-0.020775758	0.6082948	-0.1309016	-0.02472397	0.30266044	-0.9917615	0.4777972	-0.63533837	0.42630705	0.16834281	0.3762458	-0.50729156	-0.76011497	0.321127	-0.19839235	-0.003717718	-0.29779688	-0.47871092	-0.3186106	0.33003888	0.17485827	-0.3126966	0.1577976	-0.08929546	-0.13390927	0.14268117	0.13262999	-0.17685677	-0.060249273	-0.63092446	0.111801825	0.015129258	-0.99840426	-0.8241418	0.76900715	0.101286195	0.6150042	-0.15676834	0.43345714	0.03991952	0.05185556	-0.54464495	0.6979541	-0.50103855	-0.34780782	0.17628266	0.4460836	0.5730899	0.29057375	0.96321744	0.59506166	0.42909637	0.9848229	-0.34204093	-0.42190465	-0.056614716	-0.5341495	-0.3564633	-0.10027367	-0.40345445	0.24906945	-0.114408866	0.9994832	0.070822254	-0.2126378	-0.21970896	0.44051856	-0.17376022	0.57186663	0.37676752	0.4467426	-0.036150213	0.9988834	0.054174755	0.52509737	0.7109075	0.37889475	0.9986368	-0.014884437	0.4767349	-0.25021216	-0.58935004	0.34349954	-0.28069103	-0.45864385	0.36387154	0.063644946	0.9295807	-0.3313315	0.19105758	-0.6259445	0.26752344	0.39964575	-0.054783437	-0.07794831	-0.96510464	0.56827474	0.80379415	0.61354667	-0.99998796	-0.223966	-0.28969613	-0.17937073	-0.12521254	-0.32664177	0.6209269	-0.69754595	0.09707335	-0.32971936	0.33383244	0.34458032	0.5017616	-0.4197071	-0.2528448	0.16580597	-0.103582546	-0.9051867	0.18065749	-0.36825028	0.15599348	-0.06798085	0.07011169	-0.23638122	-0.6324626	0.7256591	-0.1114823	-0.24429804	0.16911086	-0.57967746	-0.25920916	0.49354294	-0.9880122	0.14937782	0.100841425	0.39325783	0.027988462	-0.35565504	0.2481782	0.99963397	-0.28316444	0.47102705	0.3813211	-0.7231009	0.040692244	0.3505305	0.4018707	-0.44609004	-0.10315655	-0.29630813	-0.7267293	0.62569135	0.032316476	-0.13696493	-0.028517853	0.57100064	0.16140054	1	-0.5784893	-0.7675133	-0.35010365	-0.022257445	-0.32478473	0.5020964	0.34359115	-0.36274657	0.64250267	-0.24699326	0.60934985	-0.5347471	-0.15994719	0.6468169	-0.60239816	-0.6723533	0.07081048	0.67605704	-0.38356045	-0.78491986	-0.011636147	0.728727	0.22230798	0.51592153	0.85141885	0.12977871	0.60003954	-0.21930186	0.36655822	-0.20449628	0.089771956	0.9985762	0.5254285	0.18530129	0.6990927	-0.6671605	0.08627365	0.2694766	-0.3702021	-0.15083006	0.9999998	0.4186371	-0.9734351	0.3827417	0.9997306	-0.48703474	-0.100310445	-0.9999804	-0.09034391	-0.63624066	0.17886975	-0.08673143	-0.69427526	-0.49230397	-0.003109411	0.9473804	-0.54021645	-0.055735294	0.49563897	0.237593	0.26613107	-0.12614813	-0.9999776	-0.9982074	-0.987041	0.21894334	-0.4040552	0.26288545	-0.64689744	0.58049434	-0.71891385	-0.29805577	-0.3553043	-0.4585737	-0.37121424	0.1988653	0.1048378	-0.028767347	-0.32173988	-0.18803455	0.5814207	-0.9252698	-0.99994767	0.59839773	0.46863598	-0.6572093	-0.30242488	-0.05069274	0.5282738	0.6644712	-0.0880409	-0.65050524	0.66216314	-0.061534446	-0.82491463	0.9272119	0.338219	0.08089612	0.032166876	-0.46206272	-0.35839248	0.6304565	0.22389223	-0.718894	0.11205037	0.8617548	-0.9892538	0.16457513	0.19072376	-0.5469111	-0.18058528	-0.41098118	-0.000505177	0.62338775	0.10706601	0.026579449	-0.29224238	0.433478	0.1298965	-0.028043823	-0.5182273	-0.27386072	0.28418788	0.99981505	0.3745784	0.6316795	0.32650277	-0.18821569	-0.6156418	0.26714733	-0.88288057	0.45538798	-0.81573975	-0.5946748	-0.18216245	-0.67498046
335	0	CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1	0.572074	0.019312916	-0.5712166	-0.40869966	0.5077686	-0.24604642	-0.9224686	0.17598176	-0.6056541	0.68197304	-0.565533	0.38575405	-0.37411326	0.00901814	-0.35044193	-0.65147203	-0.30212486	-0.6345347	-0.40622497	-0.38707992	0.10543338	0.06407409	0.28239045	-0.12966602	-0.74416894	0.55228114	0.09213381	0.46534973	-0.080456905	-0.04699361	-0.28476277	0.23417042	-0.75611454	-0.77707857	0.015299844	0.09148307	0.10697777	0.3830404	0.9942637	-0.7761909	-0.85521847	-0.22560549	-0.5180819	0.615447	-0.070346996	-0.853361	0.2644535	-0.23425493	0.9593376	0.27735826	0.8120658	-0.22467959	0.15855101	0.31773108	-0.7315208	0.30912435	-0.32536477	-0.049245834	0.35475	0.007721489	-0.2837228	0.10947072	0.5440551	-0.48635498	-0.6444798	0.52142924	0.0980347	0.60272807	-0.3226404	0.21254864	-0.81981117	-0.8793867	-0.21851571	0.37822434	0.5948966	-0.7631775	0.06588308	-0.59727675	0.4678479	-0.99964446	0.08631681	-0.6480117	-0.7744121	-0.41273353	0.43979603	-0.742631	-0.25148344	0.10120447	0.18202575	-0.42545652	0.002353321	-0.06408898	0.14835139	0.36781788	0.9936103	-0.26578462	-0.08792211	-0.033063	0.20585777	-0.28333807	-0.16911589	0.09625364	0.30851224	0.5415091	-0.938096	-0.78490305	0.24829283	0.47873923	-0.9218058	0.06027733	0.5741544	0.29165736	-0.07382613	0.14194365	0.011588445	0.2964871	-0.60170984	0.53953576	0.997961	0.20802343	-0.32865185	0.45985484	0.45016104	0.20062032	0.059145425	0.46352372	0.58110607	-0.50299746	-0.26097435	0.9995503	0.21594994	0.05671453	-0.2405195	0.10569194	0.21444413	-0.97743446	-0.41027874	0.15544099	-0.6781736	0.52376497	-0.9986565	0.069462135	0.90581167	-0.28849438	-0.42602915	0.008125255	-0.5381109	0.53038436	-0.14480034	-0.20299415	0.6285301	-0.12170506	0.2975055	0.21047175	0.41680223	0.28088862	-0.3667641	0.9017359	-0.791689	0.7371139	-0.8930065	-0.15605569	-0.24100721	0.030205764	-0.6479833	-0.4332298	-0.085985415	-0.14265622	-0.15242198	-0.32083046	0.15794739	-0.18203223	0.4627612	-0.085307695	-0.4224155	-0.82591	-0.52389824	0.10138669	-0.6248423	0.36178324	0.6533241	-0.8030894	-0.3342604	0.3113128	0.20856185	-0.15618631	0.4418457	0.07230613	-0.12888849	-0.5692898	0.028622404	-0.17158547	-0.06623928	0.26281172	-0.23363118	-0.37788722	-0.010487296	-0.8707582	0.28616485	0.33222437	-0.10070495	-0.5940111	-0.38652477	-0.77450365	-0.23151861	0.11766661	-0.46644017	-0.33891067	0.2170303	-0.99950224	-0.39617693	0.2765438	-0.33673924	0.11258643	0.13646185	0.22200246	-0.18315826	-0.25982302	-0.50513405	0.052633792	0.39822567	-0.49196225	-0.39991516	0.30821165	-0.98851645	-0.1391745	0.14729887	-0.09043381	0.3211522	0.41784418	0.1464107	0.15675384	-0.33238915	-0.25659528	-0.34620547	0.18611816	-0.1189389	-0.26135343	-0.24373583	-0.05246706	0.8755815	-0.047894128	-0.08072983	-0.4469417	0.39559025	-0.0932676	0.6944564	-0.51117235	0.45329684	0.15577993	0.4281515	-0.99840283	0.004931611	-0.107190914	-0.2684415	-0.21766965	0.08489351	-0.3291557	-0.03749539	-0.17188175	-0.34853277	-0.43177944	0.040489014	0.5228818	0.18062533	-0.23692083	0.091398835	0.64765936	0.4491544	-0.006849613	0.20246057	0.9976258	0.17772837	0.65895593	0.573357	-0.93294305	0.26329958	0.37796703	0.3937475	-0.21995726	0.044037394	0.9981066	-0.5646718	-0.24333985	-0.7310347	-0.115282334	0.6424524	0.49372858	-0.85152465	-0.5195507	0.031653132	0.99166316	0.11214914	0.8293969	0.724021	-0.53627574	0.9988455	-0.9722274	0.020190667	0.3254654	-0.45695177	0.37594002	-0.3042078	-0.82034844	-0.21270911	-0.21056835	-0.036330175	0.42273706	0.31694937	0.6520569	-0.3361748	0.49369112	0.054795407	-0.23810719	0.2753613	-0.099261954	0.4036342	0.02360605	-0.9635005	0.19635673	-0.04809934	-0.3678758	-0.004166154	-0.64932096	0.5142476	0.4397984	0.08046084	-0.8384533	-0.5104706	0.43808353	0.3452255	-0.003904858	0.032070726	-0.22957318	-0.00219827	0.34005073	0.16687536	0.3437467	-0.3557991	0.19030125	0.05119984	0.30874532	-0.5401951	0.54009545	-0.2629683	-0.5845657	-0.56024253	0.32577163	0.3463633	-0.28502792	-0.964001	-0.34838444	0.43755493	0.07653368	-0.4288612	0.24359517	0.32051465	0.99984443	-0.17099519	-0.186307	0.29598624	-0.16448858	0.014309242	-0.7770676	-0.8415718	-0.19635293	0.56797814	0.11464242	-0.14319184	0.13134058	0.7089354	0.49891308	0.03269564	0.2598365	-0.17352024	1	-0.5643545	-0.28589907	-0.10311855	0.6490693	-0.3438658	0.067539945	-0.2241054	0.40141964	-0.16580243	0.3462109	0.41999382	-0.14179082	-0.18799624	0.6333611	0.33072793	0.543001	-0.03251035	0.57694006	0.022915384	-0.8602403	0.6800102	-0.39450005	0.38129133	-0.717147	-0.17134584	0.27571264	0.5880415	0.43961474	-0.10625545	-0.26935714	-0.051418606	-0.52120394	0.13256855	-0.29951787	-0.63645554	0.71095717	0.55095875	-0.14735235	0.17286095	0.1860343	0.99995154	0.13469847	-0.9792509	-0.09047233	0.99975157	-0.0337392	-0.63663626	-0.99913543	0.16692863	-0.55265844	0.5300906	0.30826774	-0.2704999	0.046972487	-0.5800004	-0.29621124	-0.45910853	0.5203735	-0.28916293	-0.097433165	0.36708927	0.11593467	-0.99997514	-0.99709433	-0.9196666	0.07996419	0.5237927	-0.6079474	-0.40881336	0.19521184	-0.527187	0.29835343	0.7479829	0.50840324	-0.8014558	-0.1141617	0.22693747	-0.036785826	0.83929914	0.034864597	0.36183482	-0.3083762	-0.99985963	0.14273314	0.33076078	0.19430023	-0.31216666	-0.56174505	-0.9170114	0.266017	0.796925	0.5544865	-0.14253515	-0.94135916	0.28487197	0.94901925	0.2764531	0.22107033	-0.42351246	0.33320013	-0.22182044	-0.43591872	0.25408846	-0.18422239	-0.10417748	0.11927637	-0.85256475	0.23959146	0.050379433	-0.28214628	0.02272629	-0.44027218	-0.41560173	0.53764224	-0.34463456	0.29098368	0.6347589	0.9298254	-0.5114863	0.40703502	-0.29946548	0.27637807	-0.07907603	0.9999651	0.5385542	0.16006887	0.030694213	0.64204574	-0.3523896	-0.000512747	-0.97727156	0.28690115	0.09669873	0.2493168	-0.116387196	-0.46344674
336	0	OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl	-0.8425882	-0.73586476	0.5563589	-0.46638864	0.32920545	-0.62722224	-0.86999214	-0.51450425	0.4723308	-0.51603496	-0.6812783	0.13523181	-0.03805182	-0.74177974	0.13539244	0.37196365	-0.1086486	0.3328746	-0.5101058	0.31370744	0.43567422	-0.15544319	0.1182827	-0.5260133	0.09863977	0.6351692	0.46633917	0.41130573	0.70254433	-0.46412617	0.30817243	-0.42307436	-0.01698182	0.6566446	0.4687508	-0.3026291	0.42295644	0.28216678	0.9974246	-0.892798	-0.5325488	0.5605087	-0.33262917	-0.11216976	0.21152624	-0.7937359	-0.06985971	0.2715177	0.5673724	0.12153181	0.40812758	-0.12806182	-0.28623083	-0.32782245	-0.9137685	0.4741146	-0.8329445	-0.16251153	-0.09642657	0.38212863	0.40478265	0.45519927	0.6960914	0.24295306	-0.056962524	0.6417498	0.1855834	0.6822616	0.19808768	0.06340938	-0.84049284	-0.8406471	0.53383887	-0.18274131	0.70551586	-0.6828779	0.47565988	-0.4998237	0.16263019	-0.9955659	0.12576672	0.020253725	-0.8033721	-0.024940575	-0.42550933	-0.88876873	-0.1258489	-0.5408824	-0.7239312	0.7655526	0.6862594	-0.507812	0.071830645	-0.24520537	0.98662645	0.049058747	0.79518044	-0.4809049	0.17809796	-0.23409104	0.55371696	-0.43208468	0.21646294	0.9037655	-0.9780252	-0.6866082	-0.55244654	0.45658314	-0.8478826	-0.054346647	0.12943187	0.4756613	-0.6069023	-0.2952153	-0.32011047	0.49909994	0.1541257	-0.11213834	0.9949806	-0.3295069	-0.41145563	-0.01619019	-0.3461069	0.50829077	-0.20916207	-0.38447198	-0.4068863	-0.09827149	-0.83716166	0.99979854	0.005775864	0.32888737	0.5065052	0.005567634	0.041353386	-0.8901236	0.7206987	0.68085706	-0.3732628	-0.5130073	-0.99999195	-0.58285356	0.9467243	-0.02066145	0.5535473	0.009989443	0.5245957	0.027679307	-0.48468253	-0.1206521	-0.21141632	-0.7233949	-0.5208713	0.4923492	-0.2079578	0.08044072	0.13818069	0.6403653	-0.7630591	-0.07152598	-0.8915715	-0.10108294	-0.3228311	-0.73145247	0.3774743	0.44394952	-0.31225923	0.68689334	-0.21011874	-0.40955508	0.061895445	0.25235024	-0.42214894	0.012787971	0.38637108	-0.8296553	-0.6496142	0.018926889	-0.2762136	0.7929007	-0.3588269	-0.17006426	0.22422194	-0.04636605	0.13339435	0.38134173	0.39847243	-0.16759159	-0.09124281	-0.26543224	0.29798877	-0.5774353	-0.36823905	0.35033983	-0.100220084	0.13413264	0.5584178	-0.45257944	0.64386183	0.47185388	-0.20028828	-0.24237163	-0.48818484	-0.057715043	0.047536913	0.6297568	0.3136607	0.029803637	-0.055228803	-0.99981	-0.45275128	0.72823614	-0.17085712	0.10576311	-0.22748844	-0.34765854	-0.3363866	0.004513325	0.22715215	0.512913	0.16494039	0.037386153	0.21616128	-0.15174827	0.9869339	-0.32432985	-0.18500203	0.13133515	0.35719648	0.6745509	-0.18417573	-0.38351116	0.57712615	-0.6926492	0.19719565	-0.5801495	0.003323444	-0.77273273	-0.2744006	0.18682237	0.87964433	0.093004584	0.007524363	-0.47066924	0.9143179	-0.2908976	-0.17168738	0.30281833	-0.34750083	0.12210348	-0.19289808	-0.7842917	-0.14400792	0.08495115	0.072116144	-0.5209249	0.5880367	0.27451032	0.59628874	0.26144823	-0.19675346	-0.10181599	-0.29433286	-0.6426453	0.3728272	-0.05378263	-0.24198322	0.20561846	-0.067357235	0.14809196	-0.5428107	0.9463401	-0.5888292	0.18394484	0.31539705	0.9320882	0.08303533	-0.76742715	0.23058526	-0.31586793	0.36900815	0.9982848	-0.23411468	0.329266	0.15459566	0.66442174	-0.5547129	0.68383336	-0.03537878	-0.66908556	-0.10519524	0.9703684	0.022485647	0.4319762	0.12155497	-0.6601321	0.9999989	-0.9928611	0.6686528	-0.53340286	0.029417453	-0.11804457	-0.61124057	0.092232086	0.75494015	-0.74822015	-0.8119678	0.19194393	0.509141	0.380647	-0.018635964	-0.55843574	-0.08380431	-0.023325924	0.6650734	-0.4377787	-0.19827247	-0.20484649	-0.93184507	0.016483426	-0.8845139	0.6789449	0.08714074	-0.75977176	-0.7037891	-0.38880128	0.7283836	-0.88018864	-0.253858	0.3436378	-0.352611	0.025959035	-0.009810953	-0.783578	0.4318555	0.66845465	-0.10459447	0.48480484	-0.46542868	0.61341935	-0.56779337	-0.7218254	0.18716134	0.48000312	0.2956364	-0.3527968	-0.585068	0.30703676	-0.83796114	-0.5060075	-0.969359	0.017960798	-0.003367958	-0.29497847	0.5325522	0.63904124	-0.12339619	0.99950063	0.22653958	-0.2980873	-0.06140987	-0.24850866	-0.023971558	0.4824907	-0.7944788	0.17993812	0.3640243	-0.19334553	0.22698005	0.088617496	-0.06423164	0.084535256	0.62422776	0.08046005	0.10261701	-0.9902611	0.21039166	-0.2532547	0.11838165	0.5823924	-0.13326259	0.06839025	-0.62279314	-0.6225397	-0.3748273	-0.016417919	0.29356417	0.19085318	-0.007330286	0.5998455	0.4055049	0.67907387	-0.053151324	0.10432071	-0.030461656	0.007911881	-0.8311178	-0.5849976	0.85218954	-0.44636524	-0.37479267	0.5281949	0.05114946	0.14998968	0.43506047	-0.72110635	-0.7584003	-0.098337516	-0.41339278	0.55008644	0.40395665	0.834169	0.20237295	0.51807904	0.2840742	-0.08978581	0.99990827	-0.24564983	-0.99264777	0.025138674	0.99676365	-0.85221934	0.12816317	-0.9972758	0.56870246	0.38311476	0.5906699	0.001078885	-0.6359041	0.172133	-0.45203573	-0.31723583	-0.6354912	0.46733508	-0.5567065	-0.25017795	0.065739006	-0.40259656	-0.9999847	0.99999964	-0.6724575	-0.35565388	0.058076944	-0.35933986	0.7113242	-0.6150742	-0.8200293	0.4484763	0.048639186	0.13083692	-0.6994323	0.501409	-0.5772104	-0.6015911	0.13325235	0.18150936	-0.6458851	0.28677365	-0.99988574	0.48022583	-0.40027788	-0.5031122	0.263449	-0.23030952	-0.96592975	-0.14685176	-0.808069	0.1189828	0.08386612	-0.2689577	-0.37632772	0.97959715	0.1688174	0.7244922	-0.30634928	0.20300665	0.019364858	-0.4991012	-0.33405933	-0.35270622	-0.011466025	-0.4061567	-0.21124057	-0.26246357	-0.18593776	-0.23049918	0.40919223	-0.019673152	-0.12144876	0.6560648	-0.4033141	-0.43019834	0.36976668	0.9855122	-0.24203967	-0.2983974	0.26695475	0.5531129	0.16946435	0.995601	0.8646374	-0.37545547	0.117394	0.17232752	0.17308661	0.16453083	-0.981034	-0.3743969	0.39761132	0.27505907	0.10789619	0.22446884
337	0	CC1(C(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1	-0.7197776	0.53560776	-0.24976191	0.093933396	0.090737894	-0.6445678	-0.5568912	-0.40373263	-0.40895256	0.08279611	-0.59035844	0.34557518	0.008612694	0.42630127	0.13212994	-0.43939236	-0.22092438	-0.6609713	0.0917039	0.42083424	0.3812239	0.09424673	0.49616218	0.19086334	-0.52252644	0.1275015	0.52539146	-0.3221817	0.64020246	-0.7182675	-0.44266558	0.7344971	-0.004277826	0.014786947	0.12616195	-0.17503834	0.015471308	0.2569827	0.9873144	-0.8431147	-0.99167055	-0.2663662	-0.576119	-0.14406897	0.68333954	-0.9294374	-0.22965293	0.47329652	0.19417766	0.08534715	0.5101833	0.22053118	-0.31256244	0.1311737	-0.5238749	0.33913362	-0.6543389	0.34052885	0.47958153	-0.02415347	-0.1827007	-0.34618455	-0.01685995	-0.12551555	0.525249	0.43769217	0.45401025	0.4392505	0.31412756	0.24649619	-0.9297729	-0.5676157	0.17195375	-0.27104977	0.85674256	-0.34655598	-0.3624852	0.30684638	0.5001061	-0.99613357	-0.8069341	-0.06585088	-0.8618384	0.63398546	-0.07328355	-0.949641	-0.02086955	0.25592142	0.4653414	-0.17191632	0.23273528	0.68858236	0.6379395	-0.04451239	0.9845092	-0.16102998	0.8496691	0.5791951	0.39268252	-0.48861063	0.5747073	-0.036963046	0.69515634	0.9212379	-0.8146251	-0.1419737	-0.6029448	0.121207945	-0.99979573	0.39293483	-0.48244807	-0.35764945	-0.6838473	-0.2717067	-0.28549463	0.3038805	0.084287405	0.33928347	0.9965207	0.13784596	-0.39639702	-0.016572496	-0.23783578	-0.4505637	-0.75351095	0.19437422	-0.70844954	-0.21224347	-0.003469222	0.99994105	0.12231758	0.6243326	0.6321015	-0.18759108	0.24561249	-0.9358953	0.22567782	0.88277864	-0.6340062	0.57286763	-0.9999912	0.70878446	0.9537491	-0.26117918	-0.60995555	0.02936632	0.23062715	0.32186925	0.5523167	0.027241508	-0.25289014	0.9001263	0.74818844	-0.002899997	-0.21074608	-0.21239784	-0.60495484	0.9133949	-0.8814705	0.79061556	-0.91791415	-0.4355143	-0.34127676	0.30796766	0.48610672	0.42437375	0.6081669	-0.3711755	-0.007131136	0.3818751	-0.08496408	-0.687669	0.2729032	0.62392795	-0.123851426	-0.943761	0.7753756	0.5824031	-0.087321356	0.16420016	0.45569125	-0.20722324	0.13223566	0.67626464	-0.65863127	-0.14568582	0.1539327	0.46215263	-0.45132467	0.16892385	-0.4720108	-0.29977113	0.45968473	-0.34422207	-0.2851869	-0.48024577	0.50774306	-0.3336937	0.31701174	0.63866025	-0.79611397	-0.7816626	-0.3678857	-0.3873571	-0.13189557	-0.48528036	0.024709772	0.006864885	0.10660488	-0.99960953	-0.48663902	-0.3709544	0.1577149	-0.4479369	0.21392952	-0.15243743	-0.15957554	-0.06607185	-0.2634015	-0.4990608	0.284527	0.13307449	-0.64953464	-0.12985805	0.997168	-0.2712442	0.54920906	0.39815313	-0.19019939	0.43834445	-0.46730322	-0.61526346	0.5514617	-0.5536709	0.19136342	-0.376344	0.36823273	-0.07873194	-0.34486002	-0.009509002	0.9221122	0.8105688	0.4704725	-0.7195467	0.095395595	-0.1336105	0.78065807	-0.37850225	0.34926778	-0.42102528	0.4450766	-0.97521085	0.15476696	0.5978966	-0.36151356	-0.47781444	0.20467791	0.43069777	0.41941965	0.2197721	-0.5442624	0.8939473	0.6930213	-0.7564329	0.7122193	-0.4318437	0.19118746	-0.41296625	-0.6022453	-0.6091516	-0.062347867	0.73952353	0.4594999	-0.5078644	-0.4952256	0.49618587	0.2802527	-0.30419314	0.46458408	-0.77074766	0.35428065	0.99899065	-0.31033796	0.67309934	-0.22253929	-0.54802585	0.13983887	-0.068784356	-0.9548366	0.17501293	-0.4636134	0.9903364	0.5784832	-0.25403985	-0.029425124	-0.3017757	0.9999965	-0.9957242	-0.041382167	0.6686195	0.44107825	-0.27785563	-0.1382476	0.6860422	-0.29047087	-0.5547593	-0.020041397	0.28348583	0.5196068	0.38417393	0.6652363	-0.36518738	-0.45983976	-0.20653638	0.7936813	-0.33479548	-0.011319446	0.15241082	0.9777653	-0.22162886	0.13238503	0.2618585	-0.23808548	-0.88572663	-0.60452724	-0.026224138	0.5462401	-0.9823141	0.4232442	0.26581725	-0.33188662	-0.47832087	0.54511	-0.026303131	0.4309196	0.7124085	0.67112017	0.05023051	0.5264205	0.31326798	-0.49429196	0.2598424	-0.40139255	0.10610469	-0.24404243	0.2100971	-0.8170224	-0.31717885	-0.79296225	-0.4052318	-0.9885156	0.037925337	0.3831295	-0.7034866	-0.2570284	-0.21967272	0.10910633	0.99954104	-0.13759552	-0.6231437	0.26599962	0.6452684	0.17791335	0.29306495	-0.8239732	0.3967904	0.15245949	-0.07652027	-0.68287903	-0.38967708	-0.20436354	0.4892692	0.2177642	0.5153347	-0.34881112	0.99767005	0.41762084	0.08189241	0.13342597	-0.2514062	-0.21891141	0.16375595	-0.6897615	-0.44082832	0.059527215	-0.25957194	0.5538883	0.7865452	-0.2603469	0.44141716	-0.0720797	0.46290398	0.030089786	0.09564906	0.6070762	-0.09163464	-0.7557754	-0.26827362	-0.1238986	-0.044084456	-0.3235404	-0.646086	-0.41986388	0.08635664	0.08372736	-0.3178032	-0.16037102	-0.6884027	0.58117443	-0.22484002	-0.047861848	0.56390566	0.4277549	-0.1954545	0.005518104	-0.15663244	0.8360361	-0.23157969	-0.98803335	0.36563453	0.9995853	-0.38269964	-0.34753898	-0.98135847	-0.40622115	0.02293861	0.265858	-0.15682074	-0.19167018	0.07567124	-0.56648123	-0.85815173	0.16808015	0.014338587	0.13827775	0.18985182	0.48822713	-0.6720465	-0.99997354	0.9975074	-0.81715983	0.11964947	0.5431701	0.13475335	-0.45282063	-0.6562851	-0.7377946	-0.02159604	-0.5931361	0.21910301	-0.57136136	-0.44740352	-0.34937936	0.62420547	0.38323572	0.002829603	-0.44181234	-0.29164967	-0.9999234	-0.4693659	0.02853088	0.198153	0.56488615	0.5460068	-0.9794844	0.44137597	0.003609798	0.11165815	0.16723156	-0.24415144	0.6407219	0.9189522	-0.66133106	0.7034501	-0.40921822	0.2933266	-0.6400615	-0.81729037	-0.41461873	-0.45323655	-0.6367308	-0.7164733	0.69910485	0.12952434	-0.5705414	0.08195451	0.09856344	-0.4152742	-0.007760642	-0.6960123	-0.24318704	0.23531258	-0.22296998	0.9283688	0.24902318	0.17828116	-0.4055693	-0.4151497	0.33094323	0.99980843	0.6081891	0.37647322	-0.42866173	0.40682667	0.37632287	-0.6842547	-0.9642802	-0.62403876	0.23569502	0.55098176	0.4675473	-0.61385006
338	0	CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1	0.8161734	-0.047403593	-0.5140646	-0.11301615	0.29488084	-0.5006024	-0.82931024	-0.030664792	-0.21860838	-0.2134503	-0.15030196	0.28012946	-0.40530342	-0.29987782	0.03849855	-0.40427524	-0.15794328	-0.33538178	-0.4098173	-0.54250795	0.39513725	-0.2045843	-0.090696014	-0.25420105	-0.21898739	0.5100131	-0.12499077	0.1232685	0.43347743	0.6628844	0.2596789	-0.15879034	0.09427194	-0.6779257	0.28860208	0.28231645	-0.46543813	0.7203384	0.9992589	-0.35245445	-0.92389965	0.10975896	-0.32670057	0.45158747	0.08593575	0.075100824	-0.31548476	-0.32998547	0.9850495	-0.5388804	0.6441749	-0.07506134	-0.2925581	0.37955284	-0.5459219	0.13463542	-0.091493934	-0.7451558	0.44003144	-0.39966726	0.10807532	-0.3332106	-0.009063553	0.3360562	-0.43059552	0.023292119	0.7473127	0.5666277	-0.514138	0.089514166	-0.2373929	-0.6850879	-0.21321867	-0.33805636	0.41711268	0.21373287	-0.11389379	-0.30119663	-0.44556996	-0.99986535	0.09316018	-0.092364386	-0.8099993	-0.7303991	0.24577609	-0.9306634	-0.2964379	-0.22168358	-0.7315638	-0.08849551	0.14506209	-0.33450848	-0.028150424	0.38507238	0.9979099	-0.116356835	0.7277264	-0.61416775	0.08382717	0.20196524	0.23075819	0.12249106	0.33377403	0.95453167	-0.9967871	-0.72262144	-0.003836348	0.85367423	0.9773677	0.27794486	0.52428484	-0.51624584	-0.5310701	-0.07301669	0.11839778	0.73822504	0.20417105	0.43401998	0.96633524	0.095703594	0.11679202	0.34115174	0.053787813	0.18034735	0.09204051	-0.32245648	0.39036646	-0.27906445	-0.18761027	0.99984264	-0.23891039	-0.45906532	0.3323671	0.1901513	-0.66155756	-0.97721165	-0.2134133	-0.11683701	-0.54136217	-0.45048147	-0.9998912	0.3925381	0.70530075	0.42051378	-0.44533554	0.3567674	-0.26217225	-0.101646185	-0.96431404	-0.15159617	0.6384072	-0.92589533	0.29120678	0.061931867	-0.17344138	0.04236985	0.52560663	-0.34016004	-0.7450515	-0.9435718	-0.63092	-0.14237241	-0.40897378	0.42596006	-0.6369308	-0.5199025	-0.060010035	0.64773506	-0.20154898	0.08497914	-0.025280075	0.23253322	0.38493252	-0.049853113	0.1357629	-0.9550937	-0.45397493	-0.002625973	0.015450465	0.37291554	0.26931596	-0.9044827	-0.032726787	0.16357268	0.49064633	-0.30422184	0.60759646	0.39951822	0.21251892	-0.56416196	-0.6524785	-0.5660075	-0.6193031	0.5509855	-0.34586474	-0.2959286	-0.24210173	-0.90574443	0.34884584	-0.03742993	0.078895986	-0.6212984	-0.40640017	0.24174763	0.19462411	-0.41855082	0.39448375	-0.09453045	-0.45972195	-0.9998842	-0.53953797	0.07534951	-0.03268425	-0.28215307	0.26249123	0.025476689	0.26401284	-0.37117106	-0.05660002	0.3021231	0.34049988	-0.32451496	-0.26009265	-0.1239638	-0.9628992	0.008958254	0.5416623	0.10417258	0.055974536	0.2941012	0.13663645	-0.10228414	0.23022594	0.27926242	0.32343358	0.016578194	0.32303154	-0.015981255	-0.0586734	0.26551348	0.82207865	0.41455832	0.46669322	-0.63376826	0.32258713	-0.45120242	0.3966041	-0.3594525	0.37646824	0.33287883	0.28213453	-0.96063656	-0.2584465	0.55545735	-0.31776026	-0.13833943	-0.29028323	0.6363508	0.37713256	-0.48115134	0.12405868	-0.09557246	-0.17837597	-0.7289593	0.31396613	0.27463976	0.47740012	0.5910847	0.9553924	-0.08562959	-0.2698714	0.98486495	0.18222481	0.12198365	-0.58796394	-0.22130723	-0.0725234	-0.2459955	-0.11751774	-0.39537984	0.30258098	0.99430037	-0.48690358	-0.3903414	-0.38384935	-0.25314638	0.55626327	0.8835622	0.44184732	-0.2698859	0.24948096	0.75910705	-0.29267412	0.32992634	0.229663	-0.4449148	0.9999484	-0.9882028	0.6247429	0.03819944	-0.16206847	-0.15268452	-0.6140855	-0.25142598	-0.6730982	-0.800119	-0.97801024	0.009868103	0.9187267	0.34473944	-0.6106742	0.21151192	-0.4790997	-0.7795593	-0.061826035	-0.25137505	-0.42556435	0.2113849	-0.99990875	-0.053709026	-0.61546004	-0.22287463	0.56327343	-0.6603027	0.19081452	0.38996914	0.25897676	-0.88123626	0.36256135	0.43557367	0.001852708	-0.07055829	-0.31074455	0.3621114	-0.06706566	0.6912146	0.2305528	0.37730256	-0.0588071	-0.06375706	-0.06536554	-0.3032058	0.18246533	0.42816514	-0.48349833	-0.15124069	-0.3654203	0.48450166	-0.10880573	-0.90307724	-0.8773087	0.42471787	0.031860925	-0.18316528	0.3685764	0.22556952	0.29203424	0.99941736	0.38670436	-0.04134618	-0.18725653	0.5232345	0.059336934	-0.26700476	-0.9331742	0.16892873	-0.28539583	-0.33470318	0.6937884	0.36353573	-0.47374985	0.3196229	0.24432872	0.12390989	0.44484532	0.9835042	0.34150222	-0.45385697	0.28074354	-0.5016266	-0.1335751	-0.3024492	0.046972368	-0.21168248	0.32743436	-0.25914925	0.5953276	0.2977739	0.21649462	0.32297382	0.61052275	-0.3869537	-0.18448722	0.24736463	0.5189458	-0.5634841	-0.58472943	0.0000860	-0.39575684	-0.15753305	0.66009146	0.46730396	0.5132537	-0.077010274	0.047404073	-0.67286366	-0.78352463	-0.3528381	-0.6902646	0.23352118	-0.37260577	0.17497653	0.14663453	-0.21818362	0.044823136	-0.006626876	0.99999976	-0.13990141	-0.9557523	-0.016142529	0.9996926	-0.3702764	-0.16736533	-0.9999169	0.415462	-0.81769156	0.34505615	-0.5216937	-0.20086369	-0.03688263	0.13878813	-0.5194674	-0.07269072	0.1875955	-0.06558347	-0.35261866	-0.621853	-0.17847656	-0.9999596	0.99775296	0.18618093	-0.003984501	-0.07860023	-0.23903461	-0.114148185	-0.48985294	-0.34770513	0.63215005	-0.7019309	0.5900493	-0.86901534	0.19137155	0.3720118	-0.01301194	0.39559007	0.4224485	0.12252943	0.8564326	-0.9996458	0.46789467	-0.55856264	-0.27401274	0.033267148	-0.008484603	-0.86093706	0.63340306	0.14753869	0.3666385	-0.36510578	0.06871454	0.40789163	0.9786296	-0.24326792	0.37105876	0.0967502	-0.19596902	-0.63867986	0.25575277	-0.40000832	-0.15211317	0.338631	-0.2756354	-0.70872253	-0.36157697	0.20810564	-0.69951826	-0.3141721	-0.33600914	0.18099837	0.75685453	-0.10894929	-0.24321713	0.17175405	0.99723303	0.44686645	-0.5948664	0.59242874	-0.060925208	0.02019235	0.999943	0.69932836	0.3724788	0.14096573	-0.011222772	-0.010460861	-0.33073562	-0.99343896	-0.49781483	0.33277777	0.30748492	0.5561009	-0.21269193
339	0	CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1	0.72071856	0.7130375	-0.3384198	0.38671365	0.17812322	-0.5805134	-0.6523624	-0.13438717	-0.6386419	-0.029742705	0.11707946	0.34436208	-0.30912736	-0.6332001	0.4694823	-0.37099326	-0.09861475	-0.3788112	0.19110389	-0.6327998	0.3305456	-0.42761683	-0.27116147	0.18770735	-0.46473062	0.03579633	-0.15399218	0.38693002	-0.5044996	0.5340513	0.30132407	-0.3160924	0.14412197	-0.48613197	0.6376441	-0.6573542	0.12755243	0.49788094	0.9982524	-0.7062777	-0.9383233	0.17413974	0.08145102	0.8208035	-0.51498747	0.08603932	-0.14964841	-0.08327136	0.8728026	-0.15974095	0.8050923	0.473684	-0.5304974	0.062313534	0.19475634	-0.46403918	0.046173606	-0.5334873	0.38913864	-0.10370531	-0.21790157	-0.15679294	-0.38320664	-0.12320769	-0.5690927	0.47616825	0.45140657	0.50519	-0.14496449	0.2690154	-0.9245123	-0.8510088	-0.3457324	-0.8318552	0.14741097	0.35767928	-0.6273472	-0.16143335	0.37583816	-0.9991232	0.69839525	-0.35310927	-0.9443231	-0.2572408	0.08204185	-0.9032529	-0.53032607	0.180357	-0.33612165	-0.1500132	-0.500093	-0.14997064	-0.49778992	0.19068325	0.9989194	-0.44960368	0.37308723	-0.5217143	-0.12876196	-0.37126485	0.37871844	-0.21546054	-0.029794564	0.9819216	-0.9949084	-0.98193055	0.3584761	0.52469367	0.9582926	0.3534143	0.26875955	-0.31504312	0.1312335	0.080998525	0.4383895	0.5372909	0.59661996	0.54794115	0.9717969	0.19070587	0.05766856	0.027644949	-0.06300672	0.11030973	-0.49745739	-0.094608374	-0.05418268	-0.24975048	-0.13680632	0.999571	0.3712376	-0.008914487	-0.135797	0.008696131	-0.07520363	-0.9911312	-0.80408716	-0.058762517	0.3708938	-0.44718626	-0.99993443	-0.46676907	0.5594923	-0.04735482	-0.41304812	-0.38070378	-0.6924689	-0.4026435	-0.93138254	-0.16234373	0.77864236	-0.7848983	-0.05731366	0.39603215	-0.5604525	-0.032551233	0.4975138	-0.018780554	-0.6431111	-0.904422	-0.682348	-0.24059318	-0.13849415	0.62513053	-0.5259631	-0.47933146	-0.42013627	0.29152265	-0.63402146	-0.2761267	0.49275225	0.23276697	0.17087996	0.23645751	0.2632332	-0.7336306	-0.6260679	-0.10271019	-0.6326636	0.09344004	0.56152344	-0.93813115	0.07176226	0.62897897	0.08341085	0.0838453	0.7022146	0.52263665	0.43090802	0.3519635	-0.28781658	-0.0900499	-0.35662377	-0.0345721	0.10965883	-0.35751462	-0.6143952	-0.87233275	-0.2965226	0.29703954	0.25294706	-0.029275484	-0.05664499	-0.03208676	0.6927705	-0.67905617	0.28663445	-0.8201228	-0.3436574	-0.99981517	0.39287996	0.3164991	-0.3590641	0.06700076	0.3797061	0.23616396	0.104719125	-0.37575394	0.41750833	-0.5769624	0.7923115	-0.05847643	0.56294966	0.64789844	-0.9878643	0.16820301	0.19445834	0.6254803	-0.14008293	0.1461417	-0.19649032	-0.10266985	-0.5039424	0.31932902	0.41082472	0.23679052	0.2635569	-0.21315826	0.44662538	0.21305281	0.89557046	0.20558576	0.003883245	-0.36840734	0.73385763	0.10422264	0.5782862	0.22443315	0.08822787	0.7537596	-0.045381054	-0.7613304	0.09114662	0.70128614	-0.1397616	0.3405492	-0.58388	0.18655004	0.17669724	0.022622824	0.24751595	-0.1131714	0.4243881	-0.5917023	0.5279062	0.01771911	-0.042749625	0.69552135	0.91162425	-0.030970706	0.46314636	0.9811216	-0.23633872	0.18739474	-0.7311644	-0.6153847	0.094423234	0.34539783	-0.022868084	0.20188135	0.25670373	0.9953508	-0.18318745	0.28476846	-0.5262515	0.064733714	0.5915442	0.7710339	0.85863024	0.4198731	0.437785	0.87047476	-0.6787417	0.06800352	-0.40430468	0.2265091	0.999989	-0.9582093	0.49869415	0.4093651	0.20362382	-0.04099898	-0.70575345	-0.10387804	0.44174325	0.35419264	-0.9775922	0.18290989	0.83683115	0.47465453	-0.35328922	0.460063	-0.75816256	-0.2626989	-0.2776112	0.2934369	-0.5557289	-0.033694632	-0.99992836	0.055900086	-0.3714591	-0.02286572	0.44306716	-0.84850717	0.4530402	-0.17787606	0.3351183	-0.7162809	0.34582612	0.28679124	0.27086776	-0.5687077	0.059521157	0.6254866	-0.122570224	0.36668268	0.38540825	0.247751	-0.010530071	0.46219727	0.31500635	0.16698405	-0.1119308	0.7116209	-0.331407	-0.20036757	-0.24747245	0.3592239	-0.18075652	-0.8454157	-0.9051971	0.46156713	0.09004344	-0.59386027	-0.4837512	0.03889388	-0.027551947	0.99929136	0.6861551	0.15285477	-0.042017635	0.0227474	0.34809685	-0.57701594	-0.85084313	-0.026874293	-0.37421846	-0.30712488	0.6240511	0.16912687	0.20791811	0.32891327	-0.28488567	-0.5521143	-0.25066838	-0.9841465	0.73748887	-0.29526502	0.48832786	-0.290135	0.3715352	-0.65045255	0.09572615	0.39955634	0.28220516	-0.58602935	0.71251947	-0.12127299	0.11547118	0.54299027	0.071452856	0.08983201	-0.29890215	0.6067027	0.5357791	0.13418822	-0.026069185	-0.017062902	-0.63211733	-0.18541098	0.9011959	0.08427676	0.03775271	0.56638485	0.47503766	-0.10096008	-0.63729036	0.16157368	-0.5525781	0.5996935	-0.60642976	-0.12540677	0.071127504	-0.013441426	0.67428607	-0.06670462	0.9999998	-0.44565743	-0.91772777	-0.2692895	0.9994939	-0.032543328	-0.32543886	-0.9999257	-0.10577065	-0.94015	0.2078493	-0.051212184	0.23484196	0.15930016	0.31302446	-0.051336393	0.15960574	0.471453	0.294864	-0.4171239	0.10862807	0.073190674	-0.9999556	0.9999995	0.24950272	0.39645958	0.38467515	-0.4652737	-0.27529827	-0.13395758	-0.2545194	-0.4045442	-0.26746777	0.4195527	-0.7644764	-0.30508214	0.49033412	-0.4612162	0.37916127	0.12546618	0.19387284	0.74405825	-0.9996572	-0.25103188	-0.21477114	0.632658	0.24153176	0.08739748	-0.6497778	0.7669589	0.4609725	0.06857395	0.7133115	-0.64899313	-0.3562377	0.9873133	-0.636236	0.4504024	-0.17651528	0.4522889	-0.31418726	0.3582042	-0.83056784	-0.69892454	-0.05814789	-0.15688725	-0.07425978	-0.7067464	0.3551237	-0.063326195	0.25811842	-0.72448426	0.5079098	0.8156458	-0.6875741	-0.27556235	-0.2642479	0.99670964	0.49249342	0.043916207	0.066307284	0.2316987	0.35044637	0.99998236	0.26138625	0.7039758	-0.13310733	0.40252468	-0.4167782	-0.53975356	-0.9956588	-0.023962133	0.60099655	-0.24955398	-0.36960816	-0.65955216
340	0	CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1	0.25959268	0.72787327	0.019877069	0.31802478	0.43668917	-0.6128713	-0.7890831	0.25860107	-0.42622012	0.14740776	-0.09125838	0.33197054	-0.20708041	-0.56478244	0.53878075	0.51326096	0.4674699	0.058948852	0.53604966	0.15804978	0.33250466	-0.62771213	-0.021552242	-0.40656325	-0.42953813	-0.008787793	-0.05679712	0.42614222	-0.3010712	0.28659803	0.25438517	-0.01966096	-0.1983008	-0.7044648	-0.05006695	-0.67224175	0.13186155	0.54521793	0.9928802	-0.8580449	-0.96055824	-0.2081381	-0.078146994	0.03654657	-0.424762	-0.7186256	-0.43561593	0.08223505	0.8998836	-0.107435234	0.7262034	-0.076581575	0.26739895	0.28884932	-0.19716454	0.13523932	0.5946207	0.5039748	0.37923133	-0.19489543	0.174655	-0.14113131	0.42048234	0.31640565	-0.5183505	0.083024465	-0.16234547	0.23400243	-0.3701598	0.53330725	-0.5185233	-0.9470594	0.145612	-0.42125347	0.4404556	0.5145787	-0.10132605	-0.03172822	-0.15090145	-0.99902457	0.15075472	-0.3626788	-0.8906355	-0.17549674	0.41476607	-0.7885922	-0.111768864	0.32868925	-0.5030891	-0.5419352	-0.44061482	-0.37736398	-0.5678678	0.54565126	0.99421513	-0.35383064	0.20169061	-0.25312266	0.1651129	-0.05017852	0.11314915	-0.5505178	0.035497125	0.9908274	-0.94150215	-0.80538106	0.2728625	0.19466186	-0.93446505	0.60413504	0.43627822	0.27663052	0.5197392	0.09992708	-0.5170333	0.4615431	0.07724483	0.85612684	0.99108374	0.6205517	0.39378288	0.57988524	0.39294586	0.041780736	-0.35123205	0.3594905	0.15145786	-0.6009919	-0.02665382	0.999363	0.4141758	0.37154695	-0.2691388	-0.23673303	0.4732863	-0.98035914	-0.22417074	0.46639532	-0.39183426	0.18001033	-0.9997811	-0.16667022	0.8526362	-0.38972265	0.27024668	-0.2459971	-0.6045135	-0.1643104	-0.4579027	-0.13058993	0.63577837	0.02212697	0.5039034	0.21667396	-0.41094464	-0.025903929	0.26247293	0.8821564	-0.17552173	0.59656364	-0.91700494	-0.43747863	-0.29432392	0.5669545	-0.1229073	0.23682494	-0.4996603	0.12825918	-0.23214671	0.114631325	0.31635556	-0.06546184	0.41661537	0.5002049	0.07673904	-0.9530327	-0.5878497	0.3149773	-0.68632746	-0.5852394	0.74152166	-0.80203384	0.28209907	0.22452974	-0.3233892	-0.01746811	0.5352712	0.6300742	0.25292668	0.1607622	-0.43193308	0.1213482	0.11074675	0.43019852	-0.30450377	-0.2651914	-0.042589143	-0.9215841	0.6682824	0.00814072	0.23006546	-0.56342643	-0.056763504	-0.14087258	0.7448517	-0.5396544	-0.035440754	-0.8099966	0.36752164	-0.9997407	-0.11070592	0.15477268	-0.354374	-0.39657018	0.05663081	0.18315388	-0.45914233	-0.0897827	0.2912481	-0.2149797	-0.14036283	0.077267885	-0.32487336	-0.106465206	-0.96485007	0.44378102	0.28467593	-0.050631467	0.4047502	0.33688918	-0.2363506	-0.24140213	-0.18692218	0.23533688	0.34369123	0.27155626	0.04643603	-0.33970612	0.6621922	0.4900896	0.86400884	-0.3573728	-0.3331917	-0.6003846	0.7492043	-0.46709412	0.39146093	0.1531432	0.1753185	0.4443598	0.46733192	-0.96962196	0.14322376	0.3603618	0.40122333	0.5329837	-0.4304859	0.54194176	-0.11428156	-0.15783039	0.22464798	-0.601323	-0.14694498	-0.109342895	0.4062752	0.24745807	-0.2322667	0.7200488	0.09187291	-0.014869372	0.13767496	0.9156105	0.26938337	-0.18963823	-0.39189947	-0.41277573	0.22211286	0.5489698	-0.23019849	0.6231009	-0.15955901	0.99875396	-0.51167417	-0.16154048	-0.68263996	-0.083880186	0.530565	0.12211174	-0.7361713	0.18955591	-0.40424803	0.98541796	0.05500218	-0.1870499	0.19919844	0.52430403	0.999952	-0.9642856	0.38904083	0.5016205	-0.3192841	0.09103876	-0.45730597	-0.15306544	-0.21885861	-0.38337022	-0.5626833	0.1590253	0.9087183	-0.015910348	-0.009263769	0.49720824	0.18886282	-0.41759217	0.33036286	0.083131805	0.3159519	-0.4188799	-0.954802	-0.25354984	-0.24156308	-0.14079347	0.47651696	-0.8729576	0.13280523	-0.1739098	-0.017233383	-0.84627604	0.47165695	0.39094839	0.11334004	-0.31375375	0.07878677	-0.22058283	0.044370685	0.025894945	-0.23733829	0.061426472	-0.042535502	-0.017942369	0.08027773	0.6475669	-0.53522605	0.89606214	0.5661758	-0.54415566	-0.2647723	0.41549337	0.43189728	-0.42116168	-0.9822043	0.24676602	0.045912053	0.15860096	-0.044904575	-0.06490707	0.6262119	0.9998359	0.6366227	0.26673087	-0.204022	0.3161061	0.68719953	-0.21616854	-0.87929934	-0.26350018	-0.15770315	-0.8039723	-0.23813802	0.3341188	0.049516782	-0.084489755	-0.46697456	0.32048818	0.049705587	0.9964239	-0.0315027	-0.16655661	-0.32076946	-0.5043367	0.17044324	-0.55925906	0.7706839	0.060722683	0.42678759	-0.13101584	0.22039148	0.6774879	-0.04146433	0.16553092	-0.14531992	-0.452907	-0.17469881	-0.13549009	0.027051637	0.002965665	0.19364099	0.020794926	-0.8615082	-0.21334092	0.4163419	0.53103137	-0.032499168	0.2876284	0.02621588	-0.22131684	-0.019718755	-0.47351968	0.30049923	0.20081355	-0.66286004	-0.26694435	-0.32473025	-0.116035916	0.16641527	-0.4509956	0.99995035	-0.18078887	-0.94007	0.10948604	0.9997515	-0.32768732	-0.51885927	-0.99887556	-0.21741246	-0.93282276	-0.5090291	0.44958466	-0.38513952	0.29788983	-0.025125764	-0.010390949	0.10709312	0.58457005	0.21249193	-0.1907321	0.5063486	0.12055891	-0.99995255	0.9926624	-0.47912267	0.06873453	0.53545743	-0.45970792	-0.7176946	-0.012075296	0.5626504	-0.02413087	-0.17265154	0.21300168	-0.85846734	-0.4602458	0.6726752	-0.03180647	0.51567847	0.4881553	-0.26867688	-0.108385526	-0.9997809	0.016420372	0.20580256	0.45052695	0.16241704	-0.24808231	-0.9232067	0.30710152	0.3289497	0.015577768	-0.60219306	-0.8012889	0.47785878	0.97081065	-0.5414176	0.5385284	0.6346109	0.096451916	0.11460415	-0.29507855	-0.5147127	-0.4650449	-0.22994974	-0.20341603	-0.31651458	-0.26667106	0.006972411	-0.32360142	0.05340374	-0.6189899	0.50644714	0.5326497	-0.73826724	-0.23981215	0.1368589	0.9763739	0.04088024	-0.5340254	0.0007242	0.011042845	0.54045135	0.9999806	0.63561475	0.24363817	-0.17850693	-0.06506839	-0.6688208	-0.32249126	-0.9781236	0.52859116	0.1713014	-0.36924687	0.25951526	-0.41773388
341	0	CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C	0.7666997	0.14644821	0.32258505	0.02575329	-0.19786263	-0.86891925	-0.037601456	0.025408257	0.56359726	-0.062058825	0.29608768	-0.5617121	-0.1107752	0.3011148	0.33695737	-0.37336493	-0.3570556	-0.4923699	0.6636645	-0.45559096	0.5128148	0.46543995	-0.15916301	-0.5366432	0.40319303	0.6050809	-0.42328086	-0.12639254	-0.009455945	0.67013097	0.7977347	0.29247463	-0.616404	0.26547736	0.45010543	-0.16989718	-0.12691672	0.7118419	0.9995722	-0.602837	-0.8796104	0.20762229	0.28533125	-0.5667672	-0.23006877	0.4267568	-0.7341046	-0.21974728	0.9809697	0.054043166	0.4488961	0.57020545	-0.18553637	0.69405663	-0.6180828	-0.231802	-0.5124547	-0.83200026	0.31716624	0.75354755	0.39979357	-0.50980735	0.54791087	0.18498105	0.020585202	0.4270514	0.5688169	-0.055205386	-0.3292883	0.4750691	-0.2439684	-0.35598773	-0.14133568	-0.002792709	0.6687512	-0.26170447	0.0867016	-0.09952468	-0.7876659	-0.99935466	0.46295953	-0.65325	-0.9379135	0.4572975	-0.01072683	-0.93964255	-0.10160967	-0.07757419	0.41497847	-0.20852451	0.115773685	0.2792646	0.6746581	-0.30004022	0.9988936	0.2957459	0.7413462	0.09337153	0.56346226	-0.5289358	-0.04293471	-0.6499779	0.29058602	0.97164875	-0.9985858	-0.41300756	0.2900596	0.17348985	0.9696451	-0.572373	-0.58577675	0.48789093	0.3228022	0.9195226	-0.41437387	-0.27685976	-0.67785573	0.4633076	0.94456524	-0.15417907	-0.29408142	-0.08327746	-0.2626195	0.46493983	-0.6265971	0.123099804	-0.3974471	-0.37431827	0.18114519	0.9998283	0.28210977	0.08854412	0.17730792	0.55892766	-0.18450521	-0.99348575	-0.646742	-0.39889678	0.07512002	-0.07938215	-0.99999785	0.252897	0.6392363	-0.19474623	-0.18710335	0.03116947	-0.10318192	0.4010193	-0.9852625	-0.14630014	0.8062925	-0.82690156	0.84788597	0.37076694	0.3204111	0.02508118	-0.06723216	-0.64951825	-0.9311221	-0.9136067	-0.38484672	-0.118618034	0.1165836	0.28498444	0.6632071	-0.46781904	0.38411266	0.20718902	-0.11191151	0.18559745	0.65504533	0.02612371	0.59006256	0.001272205	0.36539128	-0.9350776	-0.3645083	0.42147788	0.4371126	-0.019922173	0.11193149	-0.9096147	-0.5481204	-0.5568549	0.60697705	-0.5853345	0.39492393	0.09984221	0.052091938	-0.23546581	-0.77447265	-0.007584501	0.79644525	0.08271836	-0.47097984	0.03198065	-0.46927777	-0.5417499	0.19389352	-0.46632522	-0.110039555	-0.12889862	0.3260841	0.052890703	-0.63801724	-0.600709	-0.119625814	-0.20404081	0.8728681	-0.9999325	-0.37630996	-0.083080985	-0.36427203	-0.6029132	0.39647263	-0.11873553	-0.26142195	-0.36588603	-0.09614088	-0.5402466	-0.11162041	-0.30486447	-0.6913328	-0.5793449	-0.98153025	0.6336789	-0.017129654	-0.06273066	0.4282139	-0.31020224	0.42463908	0.328352	0.23040439	0.48665494	0.2120473	0.065304376	0.6468558	0.16320005	0.556991	-0.048268184	0.9009057	0.7128729	-0.011526721	-0.7631861	0.3881076	-0.8307604	0.6481089	-0.4009839	0.6077266	-0.38025287	0.29111317	-0.7518205	0.5313775	0.5615695	0.73727006	-0.5185595	-0.4359207	0.7982946	0.5133679	-0.27941012	-0.6532709	0.48795885	0.53540397	-0.3267665	0.20671657	0.72311765	0.027034678	0.2761738	0.8832964	0.554101	-0.34193888	0.99554276	-0.14742142	-0.20130037	-0.7742641	0.552144	0.43297637	-0.78745604	-0.16804476	-0.8560863	0.13034692	0.9914654	-0.14368272	0.34932792	-0.41983208	-0.14576139	0.18382679	0.86418	0.60188144	-0.2291752	-0.5394405	0.5407924	0.5433698	-0.2104762	-0.22658868	-0.8066525	0.9999999	-0.9867109	-0.16103293	0.7470955	0.23210531	-0.54235595	-0.7833439	-0.10386892	-0.7096805	-0.20448193	-0.99132574	-0.36519748	0.86241776	-0.0707177	-0.059142534	-0.5770798	0.3898516	-0.7467149	0.3304868	-0.6708077	-0.1801407	0.2075698	-0.9998275	-0.20321766	-0.059527367	0.23987886	-0.1047159	-0.7972937	0.19942276	0.17669527	-0.40221465	-0.8966591	0.52595407	0.56989485	-0.46504408	-0.7181433	-0.34176406	0.8215981	-0.08716669	0.7350878	-0.039253753	-0.4678559	-0.24451217	0.5836546	0.0353556	-0.21904512	-0.09409475	0.46566513	-0.42149937	-0.04187029	-0.61098504	-0.09793325	-0.38656485	-0.93761337	-0.792689	0.6834068	0.06436643	0.61556643	0.21405973	-0.27137765	0.8320675	0.9997383	0.411887	-0.24368918	-0.19262889	-0.063003704	-0.083742835	-0.3255741	-0.92850804	0.7086616	0.013486707	0.1458213	-0.21121249	-0.79956675	-0.07986691	-0.2473332	-0.26171574	-0.12244597	-0.3253283	-0.9970661	-0.15009376	-0.37905288	0.33554474	-0.35125965	-0.13930744	-0.610348	-0.15795174	-0.4150956	0.053318977	0.020912781	0.3184018	0.7947902	-0.3358669	-0.47996023	0.615822	0.12420658	0.054597937	0.45888403	0.6055949	-0.3602412	-0.7865279	0.020005368	-0.5571922	-0.50425684	0.5714853	0.70650107	0.7287813	-0.098333284	0.36725986	0.32196593	-0.33145288	0.22667752	-0.3767713	-0.6929793	-0.28928787	-0.7632137	-0.46822712	-0.31825417	0.056636035	-0.15201512	0.9999993	-0.16563308	-0.99198705	-0.063900515	0.99862444	-0.31249714	0.22584856	-0.9998754	-0.12748101	-0.7055314	0.57616127	0.30725455	-0.1973134	0.06395199	-0.186129	-0.8319588	-0.21069571	0.4994888	0.7985623	-0.055736795	0.3321898	-0.5942608	-0.99994767	0.9999999	0.4016205	0.26967475	-0.5323963	-0.46519446	0.41932738	-0.2032336	-0.6650197	-0.4171882	-0.18749273	0.43529272	-0.90161914	-0.20846094	-0.7816277	0.30624187	0.792683	0.49444112	-0.4930684	0.9143612	-0.9996061	0.2629911	0.32373303	-0.10191792	-0.43732944	0.098888904	-0.8391756	-0.21767162	0.519378	0.5462045	-0.59391564	0.045058254	0.7092202	0.9452526	-0.2550556	0.40068594	0.13180262	-0.28492296	0.5996544	-0.21668936	-0.5268985	0.3800335	-0.4464453	-0.57006985	-0.732038	-0.2923037	0.3825544	0.32617962	-0.10291995	0.29221234	-0.43974543	0.21791439	0.3596224	-0.1558426	-0.55899423	0.9986644	0.4698631	-0.024872828	-0.5486275	0.25266552	0.645617	0.99998283	0.22951443	0.18790387	-0.619634	-0.09487642	-0.33014414	-0.55677366	-0.9977303	-0.7027677	0.35068038	-0.234326	0.59921163	-0.15191506
342	0	Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(C(=O)OC(C)(C)C)cc1	0.686112	-0.6158677	-0.13870913	-0.111683905	-0.10889172	-0.41614547	-0.20885657	0.8492408	-0.06642916	-0.4558606	0.2616356	0.24559402	-0.19844398	0.1555137	-0.666645	-0.005422907	-0.49692276	-0.3228905	-0.21844976	-0.05561237	0.6797538	0.55771303	0.7068553	0.7215993	-0.10503471	-0.05549398	0.67693794	0.5275567	-0.83169705	0.9252305	0.24725896	-0.5729218	-0.16115561	-0.1280877	0.3426967	0.29325813	0.000370201	-0.19909808	0.9997215	-0.4565279	-0.87497246	0.29081875	0.7779434	0.5377824	-0.18260565	0.9280482	-0.14766727	0.26981625	0.96980065	-0.18847099	0.4751506	-0.048981585	-0.12678955	0.5116723	0.51757646	0.324877	-0.21947087	-0.8985253	0.1328207	0.150493	-0.17193373	0.42604035	0.4334601	0.27052313	-0.5617385	0.2870251	0.2074765	-0.3059416	-0.61064297	-0.1332127	-0.64515567	-0.59792	-0.40326956	-0.7638504	0.57814133	-0.09182165	-0.29320633	-0.13202047	-0.65819526	-0.9998236	0.7102546	0.18022086	-0.9392738	-0.587442	0.32413793	-0.9726923	-0.30536833	0.11222259	-0.42934248	0.54865867	0.11127601	0.24353033	-0.6011297	0.78037345	0.9991486	0.40139863	0.6088276	-0.2368544	-0.6374122	-0.32148233	-0.27805194	0.48485333	-0.71921474	0.9913621	-0.99967945	-0.95810246	0.2404694	-0.082958475	0.97120094	-0.16861717	0.30088198	-0.71074617	0.29484978	0.40700832	0.56350416	0.21019438	0.034471642	-0.05477709	0.5747627	-0.4859407	0.63858753	0.5231431	0.30617577	-0.2946878	-0.5952689	-0.14306663	0.14431867	0.024078744	-0.64562976	0.9997207	-0.69344497	-0.5150512	0.11705063	0.06913501	-0.35148895	-0.9981752	-0.4199926	-0.6519641	0.37941667	-0.26625365	-0.9999997	0.19273478	-0.12909514	0.20756012	-0.28556174	-0.22352864	-0.3534061	-0.3138822	-0.9991432	0.23447815	0.57810867	-0.535909	0.21984594	-0.28136787	0.39716122	-0.674183	0.02325326	-0.966735	-0.7649702	-0.9473863	0.21679674	-0.75066805	-0.4387835	0.6622878	-0.084831804	-0.6254468	-0.46875677	0.74282056	0.4600837	-0.13551068	0.6659759	-0.57134867	0.6511557	0.44392443	-0.028332986	-0.29051426	-0.4681884	0.59101975	-0.72034895	-0.28072685	0.63688695	-0.9626585	-0.25474188	0.57915217	0.7555915	-0.2593416	0.5125595	-0.21135876	0.6124605	-0.5897428	-0.711542	-0.39077085	-0.412386	0.5258557	-0.27154902	0.53418964	0.51311857	-0.87421817	-0.22232108	0.061757196	0.49875504	-0.6430972	-0.3316171	0.68115383	0.118319005	0.51631725	-0.46178502	-0.90789014	0.15243235	-0.99995506	-0.39334515	-0.09583865	-0.72827727	0.19213489	0.63455164	0.10423587	-0.08186486	-0.4766721	-0.76008165	0.15249628	-0.45490143	-0.3750025	0.42695463	-0.21553826	-0.98814535	0.5452134	0.14202331	-0.15667881	0.40443045	0.7508363	0.43918583	0.7137859	0.426003	0.35777852	0.47544235	-0.628664	-0.11152633	0.70557696	-0.6957422	0.026081586	0.89788896	0.28601435	-0.6556525	-0.45823583	0.46080667	0.1257595	0.258742	0.060212784	-0.40477148	0.4620096	0.15705357	-0.68546987	-0.42792875	0.43314967	0.61545813	-0.001858344	0.25907615	0.6521252	-0.20786804	-0.18806842	-0.024139727	0.7503232	0.43199465	-0.057818625	-0.049194522	0.792875	0.2885977	0.16967979	0.96919286	0.23462471	0.13588043	0.9986503	-0.39335775	-0.15151095	0.49257928	-0.29777277	0.09479448	0.3099994	-0.6277229	-0.5389199	0.22460845	0.93783754	0.24353984	0.25648433	-0.531172	0.60732675	-0.22385995	0.92202485	0.47942233	-0.2801201	0.54401046	-0.5913116	0.88189805	-0.5086419	0.21933335	0.31826946	0.9999997	-0.97195095	0.20671913	-0.5420911	0.13414896	0.15875833	-0.79509014	-0.49666825	0.73234874	0.47377974	-0.9988486	0.2101249	0.9522424	-0.3094838	0.05909344	-0.36037117	0.5658879	-0.27964875	0.07161927	-0.108268306	-0.18453102	0.64669824	-0.99997807	0.2418837	0.19679454	-0.26467365	-0.105170876	-0.82021827	0.41671133	-0.17669672	0.46912828	-0.6567352	0.38012853	0.29555294	0.14111984	0.107582256	-0.48842686	0.44860706	0.4739538	0.67058116	0.115660526	0.11349326	-0.43156916	0.4433307	-0.26292104	-0.3804345	-0.059794176	0.35203075	-0.43501422	-0.12398322	0.61530674	0.08405007	0.47098827	-0.986768	-0.35609788	0.65399224	0.30213845	-0.13227136	0.1824353	0.11687005	0.80439657	0.99953043	0.73558927	-0.5808243	-0.17828047	-0.2760171	-0.26269928	0.5755692	-0.6433562	-0.7542337	-0.7390388	-0.4986564	0.13827153	-0.62677956	0.18396087	0.7792508	-0.23172507	-0.8744235	-0.13090791	-0.9982037	-0.26161316	-0.55185634	0.23762575	-0.66002023	0.35604593	-0.61144185	0.38108933	0.75079376	-0.16338994	-0.753093	0.64215547	0.41041553	-0.1983335	0.3802154	-0.38020524	-0.30036926	0.12090233	-0.1600199	0.06097867	-0.29124224	-0.31854197	-0.031115923	-0.86987084	0.049068674	0.965432	0.72016877	0.7562714	-0.01600016	-0.77711856	-0.43395054	0.37284988	0.34431598	0.5988378	-0.3270368	-0.10575809	-0.6259033	-0.6933413	-0.6946012	0.12861362	0.21781026	0.99999994	0.099442996	-0.9872372	0.09037096	0.99873275	-0.20340472	0.6049977	-0.9999315	-0.121221535	-0.98701775	-0.75562197	-0.15942635	-0.5409649	-0.03397724	0.38930476	-0.17875096	-0.21330877	-0.2512336	0.21597134	-0.2507319	0.11051228	0.020247992	-0.9995353	0.9999999	0.85066754	-0.016216308	-0.002769358	-0.7960499	0.3211342	0.09698038	0.34646913	0.38229465	0.18150884	0.6654236	-0.6986266	-0.5346129	-0.5475728	0.23031649	0.5887788	-0.38980383	-0.30579183	0.9837462	-0.99686337	0.48425967	0.1260872	-0.4925132	-0.36231723	-0.124834694	-0.4291717	0.52999234	0.23796299	-0.114666134	-0.33705398	0.07120687	-0.22539878	0.9884054	0.71646214	0.06342849	-0.35060528	-0.3953911	0.12699859	0.19685698	0.64962953	0.11747368	0.031182192	0.3255331	-0.8904572	0.513428	0.04635934	0.045417603	-0.19558965	0.44817135	-0.13986106	0.51562124	0.057196464	0.8192472	0.06399264	0.99942523	0.6904865	0.4082221	0.2373527	0.42587906	0.29818246	0.99969876	0.58206755	0.05031816	-0.3544256	-0.72255284	0.4725629	-0.12753072	-0.9986511	-0.5522777	0.7104946	-0.22613294	-0.3017745	0.44642845
343	1	N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F	-0.18413608	0.2522908	-0.24029122	-0.32379222	-0.12275453	0.14949366	0.35606956	0.5276882	-0.058439504	-0.2545382	0.17637655	-0.20658837	0.0847083	0.8083217	0.5610256	-0.91741455	-0.14117284	0.7809122	-0.15185203	-0.68819535	0.23403786	0.7009626	0.81393373	0.55736685	-0.03920839	0.07184519	0.754648	0.12067574	0.3316306	-0.41608793	0.12853521	0.15241003	-0.05525302	0.034225784	-0.15993695	-0.013670121	0.5106114	-0.073622584	0.9997004	-0.32121745	0.1321248	-0.33244625	0.0638963	0.44461945	0.04483582	0.37897533	0.11168701	0.19907595	0.6125078	-0.42672336	-0.4536961	0.030688422	0.23253994	-0.3398701	-0.48177677	0.18459284	-0.8407016	-0.9334224	-0.10069199	-0.10693463	0.6247027	0.55785465	-0.23156096	0.16452159	0.007258866	0.6540655	-0.6089427	-0.5076657	0.40245867	-0.31246084	-0.9800602	-0.76050067	-0.27156696	-0.846949	0.6084645	-0.31486472	0.73314995	-0.36604285	-0.8099874	-0.99845666	-0.220737	-0.014391121	-0.97294307	-0.352644	-0.20324396	-0.8819658	0.08266976	0.69209105	-0.39007273	0.5180418	-0.6923002	-0.042530894	0.016254948	0.59207267	0.9993557	-0.5371577	0.120185174	0.002975427	-0.17409188	-0.5869494	0.5043186	-0.83246386	-0.10404057	0.3133873	-0.9990974	-0.92762995	-0.12098401	0.68526554	-0.9674329	0.024678618	-0.7242972	-0.50720525	-0.46931922	0.73824525	0.6368178	-0.36902884	0.8507669	-0.14593011	0.98130107	-0.78958225	0.41760045	0.5619152	-0.14436218	-0.20459658	-0.5836528	0.5111188	0.10018634	-0.14603686	-0.8092642	0.99940073	-0.8134716	-0.33289072	0.8593148	-0.024094053	-0.16699553	-0.89102167	0.5662803	-0.2632545	-0.44119775	-0.6537033	-0.99997735	0.5298632	0.4699455	-0.5862087	-0.07082397	-0.029281374	0.06425605	-0.89471185	-0.9911113	-0.067385286	-0.60898036	-0.58638495	-0.43910897	-0.6254974	0.14528064	0.030744925	-0.042394966	-0.76234025	-0.91578805	-0.62126946	-0.19223936	0.4137522	-0.40196246	0.19438489	0.37045428	0.81723344	-0.20224665	-0.5089169	0.090697706	0.69047594	-0.47087607	-0.10298091	-0.6573437	0.013831005	0.6034569	0.26171914	-0.6723381	0.6763042	0.079885766	-0.48015633	-0.37721503	-0.9719784	-0.7488546	-0.7879713	0.7040167	-0.62932676	0.8594614	0.00698326	-0.44201204	-0.8657528	0.5151348	0.28844595	-0.026788978	-0.24028526	-0.7136387	0.61918944	0.5310797	-0.1691861	-0.5050531	-0.32366544	-0.43370646	-0.19887955	-0.5291763	0.293501	-0.08837373	-0.08628614	0.022839697	-0.085375786	-0.6536241	-0.99990475	0.3817083	0.48177582	-0.14817794	-0.23188226	-0.7470244	0.55690277	-0.3593658	-0.661834	-0.56590885	0.13880765	0.32419106	-0.83296937	0.34473377	0.19097471	0.9965629	0.00730263	0.4891311	0.26872543	-0.623833	-0.35949793	-0.8278067	-0.32808796	0.74031687	0.4860138	0.14916797	-0.31084815	-0.5650886	0.30713627	-0.3356007	-0.49675262	0.8066449	0.531299	0.8245566	-0.2441403	-0.33697006	-0.070254356	0.12518106	-0.014754001	-0.4504513	-0.40646565	0.035777938	-0.9683699	0.20447919	0.27557373	-0.46493867	-0.6794359	0.41890928	0.7450583	-0.6899822	-0.06577773	-0.29658255	0.5354663	0.44254118	-0.25082335	0.7138947	-0.40450117	0.3877755	0.29438666	-0.06824886	0.12536305	0.060760487	0.9994273	0.21796621	0.16058199	0.10576742	0.76628745	-0.42945045	-0.34054914	-0.44858176	-0.8208494	0.39508468	0.9855266	0.048388246	0.40042952	0.5789821	0.03345086	-0.6045622	0.76536727	-0.2172072	0.045789964	-0.28875917	0.5004387	-0.05571845	0.7628477	0.4095823	-0.018105198	0.99998075	-0.98525226	-0.12446245	0.3171017	0.6915713	-0.14699401	-0.7274048	-0.06963135	0.83025205	0.7166836	-0.9835952	0.1092321	0.14143123	0.13428412	0.87018126	-0.6551752	0.06950382	-0.4535477	-0.45408356	0.13894798	-0.3723307	-0.14795983	-0.9642034	-0.42712247	0.6140375	-0.6781387	0.26511008	-0.3499617	0.12950304	0.29410437	0.32530794	-0.87640053	0.06898983	-0.4421456	-0.45480347	0.007112873	0.14318895	0.03796083	0.15297681	0.70236593	-0.05236802	-0.5743494	-0.03108827	0.58894426	-0.7502958	-0.16905256	0.2628828	-0.7729206	-0.69516647	0.41228667	0.65042436	0.8470045	0.03895265	-0.9237246	-0.642147	-0.5075866	0.5458079	-0.37629366	0.19704024	0.33552328	0.25802106	0.9998508	0.49148867	0.35181788	-0.80029404	-0.29121262	0.08928568	-0.00050478	-0.7316497	-0.57578814	0.14741212	0.53693664	0.20577945	-0.27362072	0.07170515	0.45267475	0.73820126	-0.76010877	0.28192428	0.97667634	0.58122265	0.007527845	-0.26996362	0.1881878	-0.5203568	0.5129613	-0.6651982	-0.2572335	-0.6895325	-0.5992402	0.16801964	0.39603478	-0.51416934	0.67797285	-0.22746101	-0.5877412	0.5037327	0.3986686	-0.28555283	-0.6766009	0.2414563	0.21106197	0.7594165	-0.20499872	0.81926143	-0.3540029	0.36828655	0.17997506	-0.34195322	0.13994262	-0.65329814	0.016586835	0.15898976	-0.64813155	0.769292	0.542258	-0.054189123	0.3860326	0.5507013	0.90523654	0.9999105	0.109769195	-0.99147683	-0.16465072	0.9993015	-0.83804286	-0.23728074	-0.99850667	-0.5124966	-0.3741546	0.66770804	0.34033135	-0.142458	0.17343356	0.56559354	-0.5889298	0.6791629	-0.13487343	0.3054104	-0.40241688	-0.061326906	-0.092302114	-0.9999876	0.99840695	-0.38758275	0.17578726	-0.6128276	-0.7182337	-0.16872108	-0.50864667	-0.8100399	-0.29063174	-0.79843694	0.8901034	-0.7348043	0.53629893	-0.7174968	-0.09822116	0.32385412	-0.49381283	-0.12970816	0.9175991	-0.9997002	-0.19772093	0.2598817	0.0338862	-0.83139944	0.48952952	-0.12506571	0.381888	0.21082516	-0.20147292	0.025555307	0.4895371	0.5387017	0.97015536	-0.5616204	0.8002106	-0.37428945	-0.12487311	-0.45274988	0.56940734	0.018619826	-0.22560623	-0.38879552	0.08362413	-0.95788413	0.87148577	-0.22683032	-0.28370342	-0.42741594	0.5807027	-0.31822917	0.82372063	-0.46467778	0.6941374	-0.38311526	0.9968981	0.13040122	0.6224627	0.17279391	-0.37492543	0.15709648	0.9987943	0.5833041	-0.35509565	-0.41007113	0.5113813	0.53443927	0.7189154	-0.9973956	-0.55086917	0.6285096	0.7586538	-0.06417366	-0.19888858
344	0	CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	0.6129227	0.43761992	-0.37743503	0.17290093	0.391471	-0.6377628	-0.78602225	0.20630044	-0.65312976	-0.341955	0.4771069	0.25045422	-0.5745312	0.24821272	-0.018502995	-0.6573329	0.060104817	-0.5139041	0.15564562	-0.63679624	0.05935234	-0.053991213	-0.39805838	0.2303984	-0.12368991	-0.035707396	0.076626144	0.1739523	-0.15508978	0.6234378	-0.062053893	0.04051534	0.51395804	-0.4109741	0.6980236	0.2789725	-0.0085443	0.49179465	0.99888074	-0.45313135	-0.89875865	-0.13409877	-0.12670274	0.7184591	-0.49322474	0.4315181	0.25121918	0.26686776	0.96162695	-0.38615122	0.9075703	0.31840393	-0.84702146	0.25556958	-0.07080259	-0.16361864	0.2381693	-0.59719527	0.4308482	-0.49075046	-0.07532437	0.082699545	0.2695622	0.016833011	-0.35738027	0.5117525	0.11852779	0.30545002	-0.19935848	-0.14557825	-0.46018332	-0.4479398	-0.5681627	-0.6382467	0.58458847	0.42548278	0.1282808	-0.019289147	-0.33533853	-0.9996455	0.7506052	0.12157749	-0.93762785	-0.389463	-0.020861687	-0.96794987	-0.20636074	0.23097494	-0.07501596	-0.7314131	-0.70801765	0.42155942	-0.108552895	0.7377485	0.9982035	-0.23318629	0.4921882	-0.71955305	-0.36099985	0.30252677	0.06888665	-0.17379616	0.12472326	0.987452	-0.99705553	-0.9209157	0.2756833	0.48433644	0.9748219	0.4214548	0.26582813	-0.46779647	-0.29561412	0.07661103	-0.20139211	0.6558329	0.08558915	0.5022632	0.95194083	0.19248779	0.62124914	0.6229699	0.11062764	0.041488815	-0.5706036	0.24902964	0.096863106	-0.8344479	0.11217617	0.99972105	0.22417647	-0.66131634	0.23283298	0.048168104	-0.64764917	-0.9955377	-0.77785957	0.36760366	-0.15429431	-0.28084132	-0.9999327	0.15182364	0.6865344	-0.27210248	-0.06441784	0.37793833	-0.23087779	-0.56663257	-0.9825304	0.2757746	0.43764508	-0.7927276	0.40016577	-0.1638739	-0.16924587	0.38550648	0.34686163	-0.40537986	-0.5310266	-0.94023675	-0.5252526	-0.6741022	-0.50436926	0.50630015	-0.4211404	-0.38485405	-0.59645647	-0.09365373	0.3210844	0.016559616	0.5832099	0.039850675	-0.14555264	0.38542616	0.43607113	-0.83882344	-0.45801222	-0.33671513	-0.62446064	-0.45311472	0.31482857	-0.8662473	-0.07406275	-0.1286091	0.37384117	-0.4331604	0.6761927	0.44429114	-0.470516	-0.41637433	-0.6380843	-0.26105413	-0.6601117	0.087468274	0.48136187	0.013951736	-0.30084732	-0.9017548	0.27043673	0.13786763	0.5022134	-0.60175467	0.12603381	0.20322348	0.55305535	-0.78994024	0.02953397	-0.78245956	-0.48275486	-0.99989086	-0.3682134	0.19428155	0.06430266	-0.0772442	-0.10656253	0.54982555	-0.074010454	0.29826042	-0.10202602	-0.44337824	0.3637675	-0.24397008	0.19906512	0.17476834	-0.9923851	0.5194781	0.46959248	-0.14372689	-0.4810647	0.5643518	-0.08899434	-0.3814722	-0.044824768	0.3402064	0.4041924	0.23537405	-0.20099401	0.15649895	0.798414	0.044175517	0.92552006	0.56592584	0.11900311	-0.52793205	0.5995299	-0.12954278	0.27216306	0.5695921	0.38743877	0.58821726	0.07255452	-0.9664723	-0.5752498	0.76818436	-0.1368171	0.14105813	-0.42456403	0.29259932	-0.23602965	-0.41564977	0.30387786	-0.6244661	-0.16883884	-0.60329735	0.31115812	0.5597747	0.08511562	0.45383322	0.9593232	0.09548529	-0.21364994	0.99335986	0.5642429	0.022515416	-0.5951102	-0.63064545	0.3226045	-0.44977722	-0.057768393	0.058179427	-0.4600931	0.9935135	-0.29802015	0.21995792	-0.6636827	0.013453546	0.07923696	0.89950967	0.82011396	0.07617412	-0.12587294	0.725187	-0.6005324	0.16149397	-0.5352289	-0.003860752	0.9999462	-0.9864696	-0.2224724	0.44687983	-0.4582501	-0.045273352	-0.650174	0.16092835	-0.18170956	-0.3786139	-0.9913536	-0.0486134	0.9184246	0.3066247	-0.29613894	0.6472581	-0.5177332	-0.28131697	0.3980502	0.42437935	-0.5195226	0.45401156	-0.99991804	-0.62562466	-0.2310135	-0.3149159	0.710781	-0.8455918	0.34198627	0.533463	0.23857605	-0.8049183	-0.36173663	-0.15175314	-0.18248948	-0.7374331	-0.5166831	0.6017051	-0.42285675	0.8138378	0.7651473	0.34184182	0.6907722	-0.11084418	-0.38868836	0.7724408	0.28133252	0.5333053	0.041534238	-0.5412418	-0.09196274	0.751722	-0.009851493	-0.89029336	-0.87282395	0.43118006	0.6387132	-0.33986247	-0.52881354	0.6334766	0.6677051	0.9998683	0.7216523	0.0609598	-0.25315467	0.5226068	0.58184355	-0.2926973	-0.83291125	-0.22850278	-0.48937893	-0.6763712	0.41572815	-0.14739482	-0.16260268	0.09154059	-0.49025133	-0.4079233	0.47228983	0.98853713	0.26551864	-0.011496599	0.4747875	0.065533325	0.48558772	-0.56042045	0.22528154	0.025725488	0.3685318	-0.6513356	0.61902237	0.7272647	0.17004736	0.3626712	0.11169993	-0.051724937	0.1397402	0.19998036	0.59459645	-0.29939586	-0.27807385	-0.41735727	-0.7743135	-0.18517627	0.7812984	0.44198942	-0.2252851	0.19082782	0.3189491	-0.8527012	-0.27525043	-0.34765673	0.13277678	0.53498566	-0.5085186	-0.06714628	-0.029816661	-0.20035665	0.65543985	-0.050738428	0.9999998	-0.585922	-0.9024381	0.11500715	0.9997095	-0.5538193	-0.3894905	-0.99990547	0.2640965	-0.9613747	0.35427013	-0.43197012	0.45839036	0.32700032	0.06009832	-0.5583962	-0.035493355	0.58544147	0.27254945	-0.19342314	-0.2406646	0.014389314	-0.9999561	0.9985474	0.46187907	0.23161764	0.15671496	-0.5394685	-0.33743015	-0.08227162	0.316232	-0.33065626	-0.44745034	0.6165199	-0.8608163	0.18890975	-0.058229685	-0.1766785	0.49961206	0.53882897	0.026552012	0.84551275	-0.99954385	0.35120985	-0.6099404	0.45318303	0.63135254	-0.091171116	-0.8480022	0.71494746	0.5384999	0.48382437	-0.3180973	-0.58946866	0.13918896	0.9808903	0.24058826	0.4629317	0.35663542	0.42305526	-0.53482735	0.1404665	-0.5877934	-0.6493664	-0.043313287	-0.26155534	-0.7803512	-0.42522874	-0.09392507	-0.086647384	0.21806696	-0.28640398	0.68562484	0.67287004	-0.92103297	0.4404347	-0.26723617	0.99818873	-0.18004999	-0.2624971	0.39940974	0.055844393	0.025054818	0.99998724	0.66165274	0.566027	-0.5979453	0.1828754	-0.5646761	0.100211926	-0.9966616	-0.22208497	0.50005096	0.061341245	-0.19680405	-0.24250928
345	1	O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl	-0.37200266	-0.13740492	-0.5161951	-0.18574207	-0.5998511	-0.34511185	-0.705575	0.7102573	0.30137387	-0.548628	0.38757175	0.68039495	-0.30300537	0.8967492	-0.20069687	-0.9658837	-0.41363817	0.3511213	0.16639875	-0.8768277	0.5390385	0.64829946	0.45506868	0.33635655	0.17408317	0.3675392	0.44506952	-0.42850587	0.6525741	-0.58224934	0.068951555	0.62966347	-0.38272262	0.5855945	0.14119467	0.41978025	0.4795331	0.7091821	0.9995338	0.023520084	-0.25262454	-0.056248046	0.10977587	0.6896113	-0.53328145	0.78709674	0.49518278	0.10405601	0.8781218	0.115085915	0.7704418	0.6796303	-0.8105895	-0.20291485	-0.5203086	0.1688842	-0.9174454	-0.9730883	-0.4198201	0.7885301	-0.23597671	0.6974996	0.08064873	-0.40793198	-0.39564762	0.8960806	0.7910379	0.2246413	-0.3252576	0.24869885	-0.9406042	0.36748955	-0.3958212	-0.8427348	0.46283197	-0.79819894	0.61207575	-0.86167866	0.18005511	-0.9957289	0.64062923	-0.22307861	-0.9149163	-0.78065276	-0.22003818	-0.9679493	-0.10062888	0.7325851	-0.89048624	0.08568212	0.269309	0.3686597	0.44153434	0.88306934	0.99948424	-0.2681828	0.5454832	-0.29397562	-0.000580631	-0.4254766	0.8406746	-0.9012051	0.2461782	0.21798225	-0.9995924	-0.8836116	-0.6877829	-0.010491918	-0.89372736	0.22721958	-0.8265034	-0.68517363	-0.7801689	-0.317656	0.82656765	0.51040757	0.47537985	0.35680655	0.90680003	-0.78970325	0.64173806	0.27457336	-0.24127203	-0.5484188	-0.8822776	-0.61979306	-0.084656544	-0.2086108	0.10582033	0.99989295	0.5760792	0.7587955	0.7781761	-0.58700156	-0.7902257	-0.98280615	0.59227425	0.80598104	-0.5844685	-0.018860506	-0.9999742	0.034979258	-0.23622927	0.43645477	0.075602196	-0.49369973	-0.54999745	-0.2589118	-0.99639875	-0.3391222	-0.32407656	0.4984585	-0.2868967	-0.13052249	-0.43212503	0.1001487	-0.24993402	-0.9680198	-0.9531577	0.16331068	0.42079398	-0.42268267	-0.3977026	0.37518227	0.020467952	0.30504066	-0.76331323	0.12231892	-0.002387349	0.5682932	-0.28910035	0.014775084	-0.52271944	-0.08956263	0.664398	-0.39428365	-0.8833589	0.22561313	-0.102687724	0.6986443	0.11216219	-0.9960021	-0.7399447	-0.46524033	0.7880931	-0.47836977	0.6201423	0.8783451	-0.85647947	-0.7031923	0.85763687	0.21284112	0.24852683	-0.50623953	-0.30627707	0.3051552	0.21297032	0.9494719	0.21952026	0.8408346	-0.5439825	0.34823653	-0.8589987	-0.38938913	-0.7648894	-0.8595789	0.028274862	0.32317793	-0.06425238	-0.9993866	-0.10390213	0.806513	-0.1729085	0.18396248	-0.16155131	0.017246349	0.5392892	-0.7990379	-0.10151124	-0.055658214	0.36235008	-0.45681947	0.19886734	0.63016593	-0.9335866	0.48885757	-0.25863144	0.63793623	0.23545672	-0.28045452	-0.5155666	0.36469868	0.3800187	-0.2881017	-0.4319781	0.3334802	-0.13077025	-0.0904898	0.29837963	-0.21257168	0.40035447	0.8303044	0.7410482	0.28119683	0.16683926	-0.013637591	-0.024095004	-0.06761628	-0.1967019	-0.5732891	-0.3289958	-0.97659564	-0.42691	0.1721167	-0.5098071	-0.6037512	-0.21294607	-0.2579318	-0.3000629	-0.02126421	-0.6601797	0.27479643	0.5791493	0.33814383	0.6107816	-0.41151884	0.29613426	0.31789932	0.4169421	-0.04912234	0.25938997	0.9890277	0.35574326	0.347228	0.30682743	0.8870007	-0.15374936	-0.0593712	-0.037617546	-0.88010305	0.32322904	0.92528015	-0.19282894	0.63519865	0.3672839	0.46641403	-0.5539754	0.8288232	-0.53936285	-0.216955	-0.42439473	-0.3810714	0.065683015	0.77449375	0.08960198	0.31015903	0.9999851	-0.9918844	0.2490586	0.5411519	0.7587175	0.53065866	-0.8756598	0.7312988	0.16843185	-0.09130517	-0.9962619	0.34357387	0.047779396	-0.26053047	0.5427952	-0.6916401	0.04045759	0.35110578	-0.88050437	0.48450124	0.43592218	0.7336612	-0.9642863	0.5658753	0.48732382	0.37479612	0.6364482	-0.92573977	-0.556049	0.16178638	0.8229202	-0.94179857	-0.61216474	-0.40952802	-0.23219115	0.4998955	-0.71798295	-0.5381115	0.5443164	0.9087698	0.051835015	-0.5051911	-0.71746004	0.8439063	0.018544348	0.5854729	-0.5609655	-0.6869575	0.32194448	-0.6000743	0.3452427	-0.20472558	-0.4762506	-0.9745811	-0.19850364	-0.027064914	0.06650813	-0.55570596	-0.09722902	0.54774463	-0.53373694	0.9994305	-0.24749857	-0.1144592	0.115514055	0.21212131	-0.13927615	-0.77164274	-0.8703964	-0.19306542	0.09569555	0.16511391	0.03691488	0.4439038	-0.3456306	0.33375806	0.8773467	-0.6278737	0.3538429	0.9959059	0.41279453	-0.6044803	-0.16323236	-0.12414778	-0.34199074	-0.60965276	-0.7796421	-0.6169877	-0.14405182	-0.49916062	-0.45737442	-0.30394426	-0.6357006	0.8433062	0.44230837	0.2450521	-0.05960715	0.56007475	0.006485472	-0.87737846	-0.41051707	-0.2886211	0.16038941	-0.07512619	0.9610335	-0.37037888	-0.06958148	0.31078282	0.01990222	-0.12843992	0.2395794	0.99130523	0.16134101	-0.12441188	0.8685643	0.6327322	-0.3564765	0.69922316	0.49623576	0.2847324	0.999945	0.14064097	-0.98078305	-0.027142886	0.9968396	-0.8566716	-0.6933963	-0.9994199	-0.6811951	-0.49418873	0.6441563	0.55499643	-0.10971871	-0.63351136	0.41527647	-0.8738333	0.043897305	-0.5748058	-0.49965948	-0.29839143	-0.5097989	-0.5127623	-0.99996257	0.9825315	0.17379959	0.7562802	0.67053264	-0.3884632	0.03662078	-0.39329478	-0.64054203	-0.74955773	-0.23879631	0.83138376	-0.8404303	0.73483884	-0.5767631	0.4355462	0.63689375	-0.3961839	0.33282664	0.967388	-0.99892384	0.11875918	0.21016665	-0.4431213	-0.40381265	-0.4627967	0.11059361	0.9262293	0.604931	-0.14402445	-0.4579324	0.23230904	-0.30770203	0.96218866	0.028970717	0.26055992	-0.58327204	0.16437054	-0.8948753	0.35224125	0.061285693	-0.6650778	-0.15108904	0.1534906	-0.9791023	0.36473694	-0.58078307	0.6380188	-0.71765715	0.16936345	-0.19834425	0.87792677	-0.30891028	0.27110612	0.49941146	0.9981418	-0.16716833	0.42210215	-0.75555557	0.8791886	-0.33054462	0.99642646	0.5874393	-0.56199706	-0.6610227	0.16998598	-0.83295447	-0.20721404	-0.9949162	-0.3414479	-0.34013557	0.79035145	0.003239158	-0.54593587
346	0	OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F	-0.1362664	-0.12373669	0.16347902	-0.5544316	0.33383915	-0.1577013	-0.67738557	-0.6765271	-0.25435162	0.12156824	0.5878338	-0.019832738	0.4356784	-0.22779696	-0.485378	0.40743765	0.5410533	-0.4305191	-0.30533522	0.020687822	0.12350907	-0.16460638	-0.7066327	-0.058012985	0.19532162	0.06480808	0.7709385	0.3094098	-0.16241857	-0.39879987	0.06696978	-0.680152	0.26466653	0.6767022	-0.502221	0.04646069	-0.01975444	-0.62178046	0.9959072	-0.5395034	0.022351831	0.7647137	-0.16537173	-0.3450528	-0.5194674	-0.6569936	0.2722222	0.4496497	0.025177691	-0.47946194	0.5749711	-0.104542665	-0.25073376	-0.1213868	-0.28863493	0.44623414	-0.44885942	0.042330805	-0.080539264	0.79739517	0.10641457	0.5891353	0.25410494	0.2996311	-0.12308523	-0.21103975	-0.36404696	-0.08073674	-0.5844475	-0.42756483	-0.9657543	-0.99910206	0.69634193	-0.1304689	-0.31414282	0.26647288	0.1381876	0.40342405	-0.10519475	-0.99903595	0.60388815	0.49462855	-0.9224086	0.6187748	-0.6287105	0.11481806	0.2643408	-0.78719634	-0.21295403	0.7304549	0.47591946	0.57267517	0.3177757	-0.5473858	0.9984619	0.29096693	-0.62460965	-0.6591668	-0.36897787	0.34412816	-0.26284525	-0.27837512	-0.7331619	0.96530586	-0.9623657	-0.97899824	-0.45845968	0.43240514	-0.8597806	-0.04111303	0.24283515	0.6462268	-0.5550894	-0.15699333	-0.505693	0.46898142	-0.62310004	-0.44711927	0.9955963	-0.19832067	-0.4842337	-0.2535596	-0.31134486	0.516593	-0.36704612	-0.33295724	-0.23345879	-0.06930327	-0.22129779	0.9487131	0.4978298	-0.002996249	0.5843466	0.42405298	-0.15785903	-0.9165407	-0.33098584	-0.5471927	0.23197277	-0.49611446	-0.99997777	-0.57829666	0.3770833	-0.16774139	0.519089	0.541582	0.7039297	-0.21654059	-0.6507599	-0.08390449	0.082113124	-0.73828876	-0.74692625	0.26920134	-0.07255119	0.1326135	0.73701906	0.7170842	0.20818576	-0.6504997	-0.92225635	0.06491822	-0.434154	-0.900281	0.050110623	0.6510227	-0.49102062	0.36634138	0.031260975	-0.2645211	0.46088213	0.4953224	-0.29602903	0.40529293	-0.15419461	0.020227024	-0.48953557	-0.11607828	-0.7990146	0.39262626	0.33002576	-0.97108716	0.29681063	-0.31344697	0.6267856	0.3619497	-0.31386724	0.4488144	-0.38396573	-0.33953953	-0.29012287	-0.17420062	-0.16567583	-0.057787266	-0.18403603	0.4511464	0.35834274	-0.28946447	-0.10904467	0.322902	-0.6129235	-0.3603866	0.02398482	-0.21924773	-0.06462968	0.62799	0.5304779	0.073763415	-0.6850512	-0.9998319	-0.19687288	0.18522817	-0.22240916	0.2602227	-0.52101827	0.630474	-0.02819169	0.73776245	-0.36429843	-0.05261496	-0.44689578	0.05424877	0.9474033	0.013996512	0.98235977	-0.22383562	-0.67765325	0.3738224	0.6575389	0.20348582	0.11020087	-0.42349625	0.4010645	0.6635467	0.50320023	-0.43999964	-0.1832439	-0.8830762	-0.63323355	-0.5721165	0.9044175	-0.20685536	-0.35853812	-0.1903876	0.5037769	-0.40892377	-0.5651664	0.46787238	0.25859255	0.8581394	-0.44601938	-0.7382558	0.29784632	-0.21627156	-0.031857383	-0.5004451	0.6398349	0.23978354	0.18419293	0.006190868	0.07474705	-0.6281187	0.16705556	0.38023397	-0.32839087	-0.49956402	0.11509265	0.38724613	0.41137838	-0.14681609	0.06697964	0.99072677	-0.16678602	0.6833789	0.27927506	0.8942684	0.6181884	-0.68229693	0.5633955	-0.52371943	0.56358206	0.99825966	0.22386564	0.6415087	0.38514054	0.83576226	0.0348789	-0.08202692	-0.5362021	-0.3455849	-0.036355536	0.9859859	-0.19496842	-0.085177615	0.05156474	-0.6631362	0.9999983	-0.44416583	0.009506341	0.045201346	0.41975158	0.35353088	-0.3012525	0.34839153	0.9536342	0.613971	-0.8595654	-0.6291608	0.59338987	0.16452654	-0.20404246	-0.2992114	0.22171775	0.4482779	-0.26246974	0.26020357	0.2287202	0.23052502	-0.93129176	0.11020705	-0.6220326	0.053605657	-0.14591147	-0.3294257	0.41703436	-0.104184315	-0.14135972	0.7527337	-0.4498303	-0.36732188	-0.5128984	0.001673078	-0.57965237	-0.51172596	0.49476838	-0.8997685	-0.13109615	0.741626	-0.735448	-0.32085398	-0.41746694	-0.3653723	0.7845388	0.4874475	0.836006	-0.8663672	-0.5476735	0.65994406	-0.7556776	-0.39596632	-0.9289118	-0.7249901	0.57830447	0.36795267	-0.07779512	0.047767233	0.34759516	0.9996064	0.10503759	0.27777836	-0.1827304	0.4583957	0.1555715	0.9348349	0.3524618	-0.23768526	0.3728076	-0.30305776	0.65411675	-0.6435912	-0.22450057	0.21771614	0.28601784	-0.6306305	0.21047951	-0.98838	0.27963713	-0.03348563	-0.28576434	0.62052816	0.5245126	0.32169634	-0.04832439	-0.18680638	-0.00664054	0.51850104	-0.12864615	-0.25917372	-0.20279875	0.47413185	-0.3782995	0.5953789	-0.06977235	0.76044345	-0.25891542	-0.5157269	-0.014484934	0.28558558	0.44207597	0.32682925	0.92038524	-0.032099616	0.15823396	0.20761685	0.1667489	0.28543082	-0.70950437	0.7191784	0.21095152	0.42701945	0.11843499	0.49888834	-0.22716804	0.43287918	0.23031025	0.10407813	0.9998725	-0.6313132	-0.952459	-0.6351384	0.9947967	-0.83175987	0.51869065	-0.99741644	0.41420227	-0.23336025	-0.44593456	-0.43026927	-0.3298335	0.4797939	-0.382577	0.93712485	-0.007340627	-0.3909246	-0.62647384	-0.5163844	-0.8684687	-0.73140466	-0.9999723	0.9999997	-0.6638343	-0.8501598	0.503747	-0.2481667	0.6356301	0.23421566	-0.51970726	0.12775382	0.08933186	0.4453324	-0.13627535	-0.26687065	-0.61771494	0.36188284	-0.050990023	0.452848	-0.8137943	-0.207192	-0.9998575	0.88471454	0.13943267	-0.28442007	-0.034694463	0.118500285	0.5218281	-0.2203066	-0.45101562	-0.47845244	0.14426003	-0.28260168	-0.1853304	0.97183716	0.40084743	0.6467981	-0.16529652	-0.26511675	0.21146713	0.55289966	-0.055519648	-0.67088956	-0.11239773	0.7589645	0.5620368	0.38432458	0.026121577	0.10477433	0.7410832	0.13781743	0.35793498	0.34428364	-0.6798036	0.77097523	0.091877215	0.988667	-0.00430447	-0.3944862	-0.046640635	0.37509474	0.14620413	0.9987066	-0.051554088	-0.07688188	-0.7592187	-0.25410822	0.02410737	0.68188894	-0.9944814	0.20230402	-0.2560248	0.1287816	-0.6127917	0.7653087
347	1	N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2	-0.2414073	-0.04695626	-0.0763663	-0.35960642	-0.24343154	-0.35260165	-0.4077081	0.032307208	0.34140176	-0.029331615	0.5580673	0.32403538	0.038207233	0.57433826	0.20116921	-0.03226383	-0.22237031	0.6923804	-0.16676247	-0.21657093	0.26580963	0.01918353	-0.38685584	0.8113218	0.39813286	0.4583359	0.12661086	-0.14237	0.7557705	0.4915711	0.77397645	0.3867889	0.05215704	-0.7656836	-0.31451878	0.08046084	0.83674043	0.6085647	0.98614526	-0.8012988	-0.84418607	-0.12643972	-0.20178579	-0.3964622	0.19999869	-0.94540566	-0.5949263	0.46772715	0.34740287	0.12270025	-0.05194889	0.53857994	0.29058698	0.33115515	-0.79956216	0.13191491	-0.8267478	0.5721802	-0.43073934	-0.04581346	0.41360477	0.19346538	-0.10439383	0.06203465	-0.3687345	-0.19774681	-0.34595412	-0.65781236	0.5860796	-0.02549235	-0.7851187	-0.9770208	-0.14958918	-0.6216906	0.35191238	0.30085027	0.74925715	-0.19963521	-0.17586875	-0.9997371	-0.23697408	-0.49675187	-0.94388497	0.3397487	-0.7227989	-0.22266588	-0.25199407	0.002606993	-0.31569627	0.14673841	0.045386985	0.22820058	0.24928871	0.17436674	0.9907462	-0.484625	0.38758862	0.42556044	0.34275204	0.39055803	-0.13372004	-0.64434105	0.39715663	0.6530255	-0.8307411	-0.5575428	-0.14811113	-0.051317796	-0.9908479	-0.091905914	-0.69226545	-0.38488582	0.20809802	0.884635	0.6054389	0.40714735	0.33231983	0.43743464	0.9987872	0.12657747	-0.33488646	-0.08863174	-0.2083298	0.34923494	-0.42902112	0.34536982	-0.4530801	0.4448283	-0.15129498	0.9985217	-0.59707874	-0.050798766	0.1872589	0.014324868	-0.25611195	-0.9767237	0.508314	0.56595635	0.18260986	-0.38276777	-0.9999985	0.19298446	0.93970543	-0.003672486	0.4836109	-0.11985188	0.42307043	-0.067678034	0.40000838	0.14659378	0.16115399	-0.43247375	0.04006473	0.46215683	-0.1750149	-0.13317704	-0.18474714	0.9497409	0.12351067	-0.49184543	-0.9671242	-0.052517187	-0.012092793	0.019321688	0.6311915	0.61825037	-0.40333194	0.17803496	-0.3557144	-0.17065486	-0.21775165	-0.48548722	0.28073558	-0.07846885	0.709217	-0.93861026	-0.6314055	0.3630979	-0.03711243	0.007565077	0.42111033	-0.83236396	-0.08594454	-0.48644954	-0.25236887	-0.36627966	0.5315511	0.5132818	0.72109234	0.22304346	0.55486715	0.37632987	0.4142066	0.11625569	0.053880084	0.63865876	0.39397088	0.10584029	0.70895493	-0.35544765	0.19981125	0.7949824	0.21321169	0.2574204	0.21610785	-0.6626017	0.81296706	0.037492845	-0.2550712	-0.99971676	-0.029291026	0.3035363	0.33993286	0.06147233	0.029119741	0.6589804	-0.43728936	0.21521336	-0.19816697	0.2849495	-0.15374416	-0.28373665	-0.08547353	-0.37493142	-0.8361852	-0.001201573	0.08854258	-0.2562693	-0.16786025	-0.5712661	0.004609939	-0.2766019	-0.53408575	-0.5033096	0.4959594	-0.26912	-0.4735356	-0.24447358	0.15217507	-0.15934919	-0.97492445	0.06383521	-0.12686278	0.016566096	-0.15008308	-0.5698202	0.50900644	0.84434384	-0.06277883	0.48634917	-0.05332666	-0.7508254	-0.5473505	0.56348777	0.52094936	-0.5077476	-0.4651347	-0.50758654	-0.11968755	0.47940928	-0.044217203	-0.4742816	-0.32666647	0.6923964	0.5862992	0.5004423	-0.29368043	0.5104606	0.20962782	-0.13396503	-0.54633665	0.9932999	-0.35636428	0.58760047	0.11104752	0.8205406	0.2881669	0.15478	-0.017928483	-0.046816003	0.22706908	0.99941254	0.45795524	0.6892202	0.4467562	0.8606326	-0.80713284	-0.075502664	0.77405506	0.21675584	0.3667997	0.99581414	0.24966612	0.5415086	-0.14521015	0.15457737	0.99999994	-0.96848667	0.11024336	0.07931842	0.5327923	-0.005571987	-0.046390843	0.019743007	0.2587955	-0.102811985	0.28556496	-0.023155842	-0.23596373	0.3221268	0.6100295	-0.47502732	0.11227086	-0.46777233	0.37996772	0.27084675	-0.6951405	-0.51291525	-0.90630645	-0.3563532	0.8394999	-0.45412937	-0.6025813	-0.58671707	0.58879566	0.67177916	-0.6249132	-0.6878886	-0.35063782	-0.15003411	-0.5756845	-0.34392926	0.17969778	0.2992628	-0.2097889	0.051111	-0.39205486	0.2923824	0.26668322	0.13261953	0.35355031	0.55123067	-0.38524452	-0.24495988	-0.41381103	0.38210395	0.17856774	-0.42127866	0.0671064	0.11339933	-0.98573065	0.46203372	0.118104525	0.6871188	-0.30596608	0.17804618	0.5536583	0.99989957	0.56161433	0.14806968	-0.63349944	0.40679145	0.6336039	0.31983843	-0.7935271	0.38245097	-0.5995021	0.13094541	0.16227996	-0.060336553	0.070782036	-0.3050563	0.50725484	0.3802229	-0.624756	-0.9855497	-0.5488495	-0.008464159	0.32265782	0.07507833	-0.66769123	-0.12027641	-0.38231465	0.3070362	0.0934695	-0.36242327	0.08506206	0.17338012	0.09185355	0.2852402	-0.14572568	-0.6824066	-0.63805133	-0.22857945	-0.010985956	0.15217905	0.5032019	0.61359984	0.7003547	0.2752013	-0.23512691	-0.065325	0.13975987	0.02231063	0.07663481	0.1784513	-0.43070972	-0.62412405	0.7305299	-0.4951079	-0.03302927	0.49449396	-0.35109374	0.26123467	0.8534967	0.08747615	0.99982184	-0.06985288	-0.893549	-0.34304115	0.99961853	-0.67144746	0.57124066	-0.99741226	-0.091373645	-0.12449448	0.55070955	-0.43470734	-0.16747801	-0.44298834	0.25138304	0.15010424	0.76677763	0.29540524	0.040981993	-0.58446133	-0.43732053	-0.7268273	-0.9999893	0.9999999	-0.9335263	-0.33111343	0.003736245	0.31995603	0.42579964	-0.5828484	-0.5703576	-0.4605603	-0.5979061	0.14084108	-0.87236446	-0.28733113	-0.6964095	-0.44500762	0.15541933	-0.1993912	-0.1859233	-0.6659929	-0.9999562	0.47604814	0.090201944	0.15279453	-0.7581287	0.22734399	-0.8087498	0.17360705	0.18271387	-0.020489452	-0.6416539	0.3419211	0.448698	0.9797307	0.2902609	0.94594216	0.58690506	-0.2353945	0.5972663	0.0608237	0.2439537	0.6941213	-0.4707202	0.41625896	-0.38254523	-0.15107389	-0.15720859	-0.31007504	-0.06378316	0.3416454	-0.5566783	0.4816322	-0.50674874	0.057852864	-0.4134056	0.85995424	-0.21871717	0.686601	-0.64360684	0.3689276	-0.056119166	0.9995148	0.10999171	0.17825007	0.033907056	0.5163874	-0.23359041	-0.39414033	-0.96799237	0.20426297	0.55549675	-0.48918664	-0.4155468	-0.016805016
348	1	CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1	-0.43190533	0.657089	-0.040828764	0.41185012	0.2708188	-0.18511946	-0.032724082	-0.28913075	-0.17381436	-0.09290459	0.29865143	-0.35439515	0.13670337	0.13188925	-0.16981398	-0.57220966	0.040775795	0.3120728	0.45707294	-0.5247742	-0.17701405	-0.14277616	-0.59674317	-0.36635587	0.55454874	0.42069718	0.1558538	-0.080785684	-0.10829541	0.46492407	-0.5738722	-0.037438408	-0.18948877	0.008285731	0.09652558	0.28409293	-0.039598044	0.717125	0.9975911	-0.66623527	-0.9811836	0.37329477	0.22180697	0.284512	0.013983932	-0.20540789	0.10237857	-0.6610153	0.88285434	-0.46227476	0.45047563	-0.36875737	-0.5870588	-0.08924564	0.5019798	-0.11971701	-0.6396645	-0.6061576	-0.40974247	-0.19297491	0.3380635	-0.3656719	0.8224817	0.12320843	-0.18920319	0.5781222	0.7791443	-0.3305794	0.49931842	-0.7728883	-0.98510593	-0.97531044	-0.6223687	-0.2563839	0.4485378	-0.30798435	0.1334438	-0.3760331	-0.04487713	-0.9992773	0.34354657	-0.034606263	-0.89403087	-0.5502207	0.78088033	-0.7418415	0.034360558	-0.39774576	0.4342858	-0.36517167	0.57875323	0.03823811	-0.27852014	-0.14362931	0.99934286	-0.47402683	0.14768213	-0.10487124	0.6436806	-0.58164793	-0.43969584	-0.55151725	-0.4670008	0.9716491	-0.9900805	-0.9657499	0.5028828	0.15237293	0.95956945	-0.58717525	0.5213044	-0.031088935	-0.82914996	-0.8368724	-0.03611129	-0.028620323	-0.0000342	0.18296392	0.98600304	-0.48453945	-0.35184044	0.039929908	0.038166627	-0.4972774	-0.4320384	0.11218271	-0.73838186	-0.32670444	-0.38895652	0.9985969	0.51969385	-0.20406334	0.5036572	0.75259453	-0.055636156	-0.9939577	-0.19648962	-0.4750687	-0.22176963	-0.8204576	-0.9999585	0.64886826	0.6349404	-0.05372832	-0.15901077	-0.24189359	-0.18503696	-0.7643528	-0.88272494	0.62104875	-0.32218036	0.11254198	-0.77046806	0.13150269	-0.3682882	0.000506706	0.4509714	0.1347118	-0.7183851	-0.9583296	-0.6822448	0.7302802	-0.32109323	-0.016951805	0.15942259	-0.19439487	-0.11442744	0.17432456	-0.4419786	0.39348564	0.43956912	-0.22173123	-0.056753814	0.75405306	-0.10906754	0.4378772	-0.35425425	0.44968405	-0.3807372	-0.17310132	0.054065563	-0.8864778	0.1213185	-0.7811034	-0.08028422	0.30483305	0.59252363	-0.24084464	0.022523543	-0.5960694	-0.74208426	-0.45938173	0.11784537	0.17491506	-0.5419175	-0.2726684	0.40267697	-0.8217192	0.029385354	0.08831531	-0.65999174	-0.40278536	-0.83279616	-0.33849075	-0.47226915	-0.094454	0.56331676	-0.29563913	-0.7613101	-0.9997847	-0.5046885	0.21912323	-0.5477959	0.17535424	-0.6522506	0.33605605	0.3039274	-0.43447092	-0.3921312	-0.25994873	0.7476657	-0.07291417	0.79892325	0.21041219	-0.9744101	-0.43503585	0.38133666	-0.3099728	0.42282647	0.24654968	-0.30439836	-0.34126288	0.5254024	0.63297117	0.73108363	0.39463156	0.39156556	-0.6857518	0.5258152	0.17663777	0.84703994	-0.19093181	0.26527843	-0.31787455	0.49579784	-0.18740933	0.5603184	-0.15379305	-0.001571067	-0.6090931	0.27559757	-0.9654636	-0.14862391	0.21202251	0.19920574	-0.31173566	-0.3767404	-0.20832197	-0.031647813	-0.10156546	-0.4104121	0.2168288	-0.019489732	0.083809	0.071694545	-0.32201976	0.24684192	0.4638552	0.9573669	-0.22213443	0.662306	0.9805655	-0.43861172	-0.2933013	-0.631362	-0.11799096	0.40522444	-0.79439926	-0.5590862	-0.542217	-0.29770905	0.9965864	-0.19539283	0.2066136	-0.36897776	0.19892696	0.1007787	0.7923093	0.83594155	-0.11251335	0.498987	0.9300348	0.16178682	-0.2808034	-0.4399194	-0.61208254	0.9999883	-0.93417406	-0.2623622	0.4488186	0.14533238	0.32715592	-0.40193558	-0.35583097	0.771166	0.8607351	-0.9647821	-0.4321611	0.8863493	-0.35365292	0.3902197	-0.26558203	-0.48160195	-0.4003419	0.2521534	0.15875472	0.11533691	0.07405823	-0.9999634	-0.22272302	-0.588439	-0.22113091	0.24253787	-0.47498643	0.5696774	0.14129815	0.056333605	-0.80979955	-0.2816637	-0.36404985	-0.12423517	0.013679689	0.18473716	0.41163635	-0.4497769	-0.15670098	-0.3426301	-0.060568105	-0.38572288	-0.09303804	-0.7166071	0.114554666	0.15596785	0.56977594	-0.21379402	-0.6906318	0.3098583	0.14424172	0.041680597	-0.80322486	-0.9040484	-0.44243115	0.3822088	0.13277547	-0.53890383	0.07059189	0.7343993	0.9998337	-0.07101787	-0.43713927	-0.62611365	0.25124192	0.042594586	-0.22489664	-0.32531112	0.66173726	0.33055338	-0.17937918	0.26664346	-0.20417684	0.03485964	-0.61487603	-0.56140786	-0.3956902	0.14557043	0.9880825	0.020608304	0.28204387	-0.42786935	-0.4749122	0.18909335	-0.36367878	0.3380463	-0.020825775	-0.22935125	-0.001480168	0.10861132	0.42526573	-0.11260558	0.23300079	-0.31998828	0.6972925	0.78573775	0.60329485	-0.333909	-0.48177838	-0.80645967	-0.31573483	-0.5470558	-0.4839526	0.87296003	-0.097584136	-0.281437	-0.08740315	0.21338189	-0.1898091	-0.8548705	0.82050496	-0.13417651	-0.10164839	0.53898597	0.40602311	-0.39395896	0.13659616	-0.25696534	-0.07572596	0.9999999	-0.0829579	-0.9496766	-0.18730728	0.99953485	-0.5513114	0.5252403	-0.999949	0.53837705	-0.8624174	-0.13987654	-0.29069775	-0.17042434	0.17067428	0.45176515	0.29963094	0.39550996	0.38982046	-0.29234535	-0.06754555	-0.098927625	0.50382066	-0.99997437	0.997097	-0.14261627	-0.12449365	-0.14819655	-0.62503695	0.21679878	-0.30381334	-0.6831198	-0.7039586	-0.7516873	0.4828362	0.2665878	0.54655796	0.28870028	-0.26895368	0.61412317	-0.2314337	0.6573039	0.5220139	-0.9997403	0.111098886	0.120548226	0.002518363	-0.23812757	0.2467943	-0.62921625	0.09805262	-0.07947674	-0.03444814	-0.5673312	-0.63279533	0.34673226	0.96819335	-0.2031473	0.9409547	0.0646209	-0.53209955	-0.8722726	0.11426487	-0.5431584	-0.5381418	-0.2263142	-0.30677345	0.7730352	-0.36262813	0.07730616	-0.35426772	-0.45321605	-0.11769327	0.49377915	0.7060227	-0.5663336	-0.41750413	-0.33471814	0.99455994	-0.46808356	0.109467916	0.40095663	0.17941107	0.44926542	0.99970555	-0.15643328	0.044741355	-0.30355155	-0.36551586	-0.49461675	-0.5160766	-0.9954507	0.33810887	0.31820413	0.37075368	-0.25538832	0.0063301
349	0	CCOC(=O)COc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl	0.5072751	-0.23669252	-0.64420485	0.36223957	0.5172372	-0.134013	0.2758782	0.4396685	-0.24198772	0.41743955	0.3401714	-0.23062678	-0.5373576	0.7842171	0.14718507	-0.86416876	0.23424302	-0.773669	-0.06134668	-0.5405139	-0.42555517	0.019958794	0.38792694	-0.30038404	0.05356647	0.007251608	0.43737686	-0.3928794	-0.18202274	-0.5270551	-0.34091416	0.02260562	0.10068729	-0.018630408	0.056241453	0.19420922	0.41693154	0.111816965	0.99943125	0.13529022	-0.79024863	0.11466096	0.1394321	0.40159428	-0.5424277	0.5268559	0.22377864	-0.37532252	0.77146775	0.6691596	0.22090323	0.4933095	-0.29703432	-0.35239953	0.057062034	-0.2721569	-0.347403	-0.8899032	0.14543559	-0.31556442	0.08380302	-0.14770365	0.7872209	0.17035703	-0.1601992	0.5786507	-0.66634965	-0.26702544	0.70155424	-0.17799957	-0.9663109	-0.9422089	0.18769532	-0.8017914	0.15497565	-0.20002677	0.062220648	0.25717887	0.4787638	-0.99967515	0.35844904	-0.1791279	-0.9474913	-0.5654267	-0.44911864	-0.74714315	0.15598367	0.25585395	-0.34856978	0.62476116	-0.043223463	0.24537373	-0.6118005	0.4052883	0.9996882	-0.67977005	0.36633298	0.04375162	-0.7237035	0.5007154	0.009886731	-0.40259957	-0.46457922	0.5442639	-0.9989538	-0.96487796	-0.3527754	0.5629194	0.9593554	0.5087635	-0.11191127	0.1473263	-0.48935363	-0.1917378	-0.3806847	0.08477454	0.36608666	-0.29937464	0.96476036	-0.34195063	0.6573834	0.044608675	-0.45624682	-0.44074035	-0.06874021	0.06731462	0.28741032	-0.5695764	0.215723	0.99855375	0.3009446	-0.0992749	0.70944256	-0.4712662	-0.1572681	-0.9944535	-0.087317966	-0.19707577	-0.64596516	-0.7599178	-0.9999386	-0.34539112	0.21314219	0.77427596	0.49059483	0.19457266	-0.5181902	-0.570476	-0.9877538	0.049716458	-0.3319101	-0.47501487	-0.7317665	-0.29472157	-0.41226432	0.45983014	-0.2390477	-0.7494349	-0.8419024	-0.885325	-0.5202996	0.14314969	-0.29078728	0.14617085	0.054687813	0.524452	-0.4833485	-0.28500566	0.013962149	0.46046332	-0.5388036	-0.18252382	-0.6096534	0.15552947	-0.48318863	0.3344377	-0.6232615	0.66541713	-0.2546137	0.71606374	0.69004196	-0.983189	-0.27117878	-0.5753362	0.59992814	0.3415053	-0.05981863	0.64287955	-0.43232274	-0.5535991	0.02654146	0.4054165	-0.375495	-0.15020159	0.49163824	0.14349368	-0.3657906	-0.9164877	0.12610714	0.000847822	-0.92859054	-0.83100075	0.093866356	-0.2633582	0.044455852	-0.20949608	0.6909568	-0.56404674	-0.5982991	-0.99981326	-0.30152774	-0.0629114	0.48657358	-0.018536357	-0.5575311	0.585091	0.608133	-0.16810381	0.22369833	-0.385296	-0.1083299	-0.28657162	0.8502211	0.10014754	-0.957446	-0.22080356	0.18127035	0.031844784	0.07458815	0.39540848	-0.49493766	0.12355684	0.2631567	0.46104598	-0.1501188	0.19065979	0.38578925	0.1561212	-0.03360103	-0.050527617	0.846658	-0.73625195	0.4262006	-0.16648638	-0.046992213	-0.13575493	0.19996239	-0.53220534	0.33649907	0.58502305	0.111869514	-0.97299194	0.06375976	-0.27318865	-0.24446219	0.15742113	0.021067686	-0.007999513	-0.05449862	-0.33624494	0.6573204	-0.7582669	0.13109179	0.063769445	-0.18935451	-0.18193114	-0.6400022	0.7821786	0.8777935	-0.5891097	0.30944312	0.99831605	0.37879124	-0.25381172	-0.83691454	-0.7639046	-0.2705744	-0.13094035	-0.28860176	-0.31262597	-0.3860714	0.98390824	0.2694731	-0.41043702	-0.45361918	-0.31954283	-0.124988735	0.83980256	0.8263649	0.063402705	-0.6736059	0.59534925	-0.83366835	0.8134198	-0.19941959	0.06852405	0.9999413	-0.96019405	-0.5788096	-0.15298918	0.7904949	-0.3072452	-0.5459738	0.79151267	0.6510642	0.28736535	-0.99292034	-0.22135314	0.09987794	-0.012212716	0.66026706	0.20262638	0.08667551	-0.49396822	-0.43014377	0.16307011	0.45694926	-0.25406715	-0.99993134	-0.18351409	-0.21572074	-0.12521589	0.5340969	-0.31507275	0.3624265	0.6839172	0.117457986	-0.74200714	-0.015041889	-0.81846267	-0.13684921	-0.55575967	0.17102711	0.23666254	0.0878172	-0.33053026	0.25516343	0.034953956	0.09382801	0.6670791	0.2498884	-0.22533856	0.16830006	-0.57588464	0.5868001	-0.44603008	0.2727686	0.42440957	-0.272848	-0.87945884	-0.58086747	0.24420564	0.35582516	-0.65048766	-0.42960966	0.01676483	0.6864035	0.99957246	0.30734774	0.15330164	-0.2837594	0.185333	0.7683774	-0.3144861	-0.47641388	0.49886385	0.39654094	0.3889573	0.35852122	-0.37630516	0.1142757	0.66321915	0.40147886	-0.8100466	0.2794727	0.9954191	0.60336816	0.04224666	-0.46871912	-0.001772376	0.11171689	-0.3490069	0.13735475	-0.34430104	-0.005330136	-0.4227513	0.474857	-0.10276101	-0.3495092	0.5940783	-0.22089322	-0.13071682	-0.28700182	0.8430377	0.44266513	-0.62302786	0.14120527	-0.4513785	0.09315154	0.23633751	0.9488295	-0.074064426	-0.58386767	0.400109	0.45827785	-0.682956	-0.7489825	-0.23895751	-0.12657274	0.21732326	-0.36209676	0.33804762	0.12825839	0.14408237	0.34711382	0.7765255	0.99999964	-0.41077548	-0.9842764	-0.48416582	0.99987924	0.046681035	-0.32275707	-0.99994695	0.08887706	-0.8612561	0.34767967	-0.1957683	0.43070516	0.43568695	-0.06155716	-0.30190408	0.31867823	0.2220504	0.6116529	-0.6160015	0.33867922	-0.0940861	-0.9999548	0.9948568	0.11928101	-0.015969776	-0.014478712	-0.69075054	-0.41540962	-0.020685753	-0.6022668	-0.62998825	-0.4983793	0.8040028	-0.645014	0.35842597	0.3619678	-0.6321177	0.3932915	-0.30952522	0.29376256	0.87571776	-0.9994384	0.46375626	0.20776308	0.4357902	-0.016073786	0.39701366	-0.21072508	0.52499634	0.7773585	-0.3060063	-0.11623694	0.2852509	-0.28134564	0.9848641	-0.41610017	0.81166303	-0.6601235	0.15450104	-0.6273369	0.60087585	0.63218915	-0.12327893	0.43234956	-0.07945462	-0.67386425	0.398871	0.41613337	-0.20770292	0.42270452	-0.029127007	0.26155606	0.79361653	-0.8244696	0.29851776	-0.5855033	0.99795926	0.60145706	0.703399	0.17616126	0.50672215	0.57309425	0.99993175	0.35163075	0.27863878	-0.614312	0.24223384	-0.7744639	0.10119512	-0.99837416	-0.3709926	0.4578774	0.75272506	0.5447085	0.24792685
350	0	CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	-0.14359562	-0.06897011	-0.06762714	-0.66798335	-0.28400582	-0.8927657	-0.28834876	0.24649607	0.35022882	-0.49205118	-0.2629134	-0.05409019	0.16208299	0.70747226	-0.35796252	-0.7607363	-0.17015056	0.08339745	-0.51945233	0.10640828	0.3796413	0.45660964	0.53707665	0.77286226	-0.02281955	-0.112265356	0.4274304	-0.49911392	-0.1447746	-0.3512922	0.09379417	0.09845786	-0.5257847	0.069073446	-0.08346169	-0.08317498	0.5503618	0.6180638	0.99944776	0.0957975	-0.8969353	0.11296919	0.41916367	0.13248362	-0.5290064	0.48757777	0.64264	0.67873675	0.76275647	0.40582976	0.40987718	-0.28649879	-0.61571574	-0.42682192	-0.53759813	-0.09477401	-0.77843463	-0.9182838	0.10197946	0.37042174	0.43111736	0.7594901	0.26123476	-0.39284912	-0.063240424	0.88103414	0.46418548	0.15793161	-0.50660676	-0.18389945	-0.89563364	-0.31689477	0.5205815	-0.7715814	0.07220751	-0.77345	-0.22729503	-0.43691146	-0.44799292	-0.9995795	0.8667531	-0.42146146	-0.9192725	-0.43927884	-0.25087976	-0.951321	-0.15498781	0.46277702	-0.69351006	0.5492238	-0.26188284	0.4901781	0.33012086	0.22439116	0.99965954	-0.15136439	0.50635207	-0.3740437	0.288355	-0.18035738	0.66772336	0.17319001	-0.15598804	0.3821474	-0.9982142	-0.67199653	-0.09819871	0.026362466	0.9895601	-0.19242129	0.47255903	-0.112138435	-0.6610073	-0.61731356	0.74882466	0.42635232	0.6724643	0.09640545	0.952663	-0.49519265	0.54966885	0.028278973	-0.44554585	-0.5161633	-0.5600209	-0.34374472	-0.5700553	0.23059101	-0.22068235	0.9999158	-0.22752684	0.479809	0.51640505	0.23673429	-0.12850021	-0.9954616	0.5308908	0.6848856	-0.8372109	-0.74801874	-0.99975824	-0.15994275	0.09328975	-0.4981713	-0.5082504	-0.20375435	0.047847886	0.24226819	-0.9784062	0.12745257	-0.82357776	0.002781909	-0.7345068	-0.08427982	-0.79469365	-0.67379004	-0.16130868	-0.9131943	-0.94787514	-0.88128656	-0.07948871	-0.72639334	-0.28691396	0.16809434	0.45664403	0.6156554	-0.087755494	0.17549397	-0.09966799	0.71214026	0.12667322	-0.4609219	-0.48987693	0.16523476	0.75602293	-0.5760868	-0.82014817	0.5238399	-0.18326777	0.47951552	0.09301734	-0.99232715	-0.7801469	-0.63753575	0.6456957	-0.14247794	-0.55025536	0.4462872	-0.80704486	-0.8470197	-0.000461699	0.6812627	0.50343055	-0.21674405	-0.66032726	0.5379015	0.78621984	0.87777513	-0.22814916	0.7546563	0.24139015	-0.16946171	-0.2933465	-0.047143385	-0.53114676	-0.62449723	-0.25024793	-0.27078494	0.15503623	-0.999433	-0.1580266	-0.08054418	0.3108878	0.26140013	-0.008722466	0.63162655	0.13690667	-0.34044033	-0.2382957	-0.3089363	0.5046719	-0.51088685	-0.38176888	0.14528042	-0.9854009	0.18891911	0.53346854	0.7833002	-0.11967411	-0.5903044	-0.16701874	0.81207997	0.3578271	0.33326176	-0.24493618	0.15277188	-0.04265068	-0.13766056	-0.57010573	-0.4689409	0.5369235	0.3691053	0.07446714	0.38786998	0.25608623	0.3514033	-0.1754721	-0.004684503	0.08845229	0.2534344	-0.48493835	-0.97809994	-0.104787685	0.42634487	-0.16241108	-0.3267349	-0.19201028	-0.26838276	-0.30537623	-0.46418843	-0.55572677	0.18013397	-0.70572126	-0.050756324	0.7946841	0.0000269	0.36273164	0.34849188	0.9198784	0.4454654	0.53230894	0.9797238	0.6705725	0.0571437	0.68857896	-0.47190443	-0.33773568	-0.5830062	-0.9262391	-0.19974661	0.07589103	0.97126675	-0.35993877	0.26916137	-0.101311855	0.7119919	-0.5662156	0.97154444	0.95754695	-0.24594049	-0.409166	0.108720414	0.47415358	0.7049304	-0.2669942	-0.57303053	0.99997354	-0.99075395	-0.19259626	0.06107514	0.86623144	0.7061669	-0.8126675	0.47639054	-0.4527571	-0.64350516	-0.99495596	0.06758628	0.34951758	-0.3448108	0.46596077	-0.37865672	0.43829766	-0.059337396	-0.8165818	0.34702522	0.5709523	0.61678916	-0.9999653	0.59801775	-0.3461718	0.4697081	0.6944656	-0.80108553	-0.5719124	-0.28128764	0.5928678	-0.9497199	-0.28931978	-0.23781574	-0.35503817	-0.2641481	-0.6931261	-0.30288085	-0.57855445	0.7597019	0.20789486	0.20768099	-0.6753941	0.7639788	-0.58081394	0.7052247	-0.1372545	-0.58918285	0.46663442	-0.37308928	0.69292414	-0.018439442	-0.21997727	-0.9550339	-0.50364363	0.18019441	-0.19515613	0.107684575	-0.25536996	0.48240834	-0.53550786	0.99978995	-0.35810184	-0.12377325	0.17104737	-0.50734884	-0.4896196	0.03187543	-0.89664286	0.27938563	-0.11122425	0.06528022	-0.4860906	0.22464788	-0.6109675	-0.08974387	0.29887292	-0.23774832	0.14148325	0.99489975	0.000787741	0.30994248	-0.80650204	0.12641367	0.13678089	0.4327941	-0.4755392	-0.13469136	0.34721762	-0.30128878	-0.02316958	-0.12697768	-0.6901531	0.5418897	-0.7171998	-0.4921069	-0.007640416	-0.43301907	-0.24085566	-0.7419895	0.6394049	-0.61438394	0.5357322	-0.1904013	0.9152481	0.057236377	-0.43934172	-0.38192758	0.22233254	-0.50595164	-0.073262915	0.99689776	0.41246313	0.10648051	0.72035664	0.28018624	-0.65562785	0.8222279	0.72756714	-0.003538741	0.99999976	-0.11584883	-0.954854	-0.005025612	0.9990516	-0.7818848	-0.727547	-0.9999604	0.019946076	-0.38412225	0.6449701	0.6702749	0.22733912	-0.32300457	-0.02203507	-0.67744464	0.1846474	-0.18257186	0.070653595	-0.24526858	0.22693908	0.1046297	-0.9999165	0.9932215	0.106036514	0.3923696	0.5361538	-0.2125317	-0.7486769	-0.7149403	-0.79575	-0.7198079	-0.53088826	0.7429818	-0.89104867	0.31548735	-0.670726	0.10789849	-0.33845818	-0.26533258	0.39848363	0.93694586	-0.99942946	0.4328832	0.26793858	-0.44072688	-0.5284662	0.3294011	-0.41452107	0.72955155	0.28012022	-0.8420983	-0.470059	0.5199513	0.3657988	0.9663794	0.514432	0.6946363	-0.41058308	0.34641245	-0.6558459	0.34222776	0.13826242	-0.4202781	-0.43443063	-0.4662786	-0.58095163	0.4484255	0.117278665	0.5817417	-0.6341322	0.32752064	-0.20345639	0.8923115	0.11010398	0.77788675	0.14046924	0.9977121	-0.27956486	0.17288004	-0.7237341	0.59198517	-0.5295733	0.9964834	0.6196222	-0.2751053	-0.7570989	0.5838381	-0.6005905	0.37476495	-0.9914758	-0.43011194	0.2427196	0.529313	0.8116598	-0.28724167
351	0	Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1	-0.09484741	0.32280764	0.13091317	0.4229723	-0.51188356	0.5634394	-0.4786134	-0.6667909	0.18306722	-0.5402558	-0.16606003	-0.6350425	0.36832243	0.245918	0.4271277	-0.42132798	0.002363528	-0.31038424	-0.09014194	-0.34408852	0.5856964	0.138454	0.11346039	0.5068069	-0.24381547	0.1623133	0.6743359	0.54590076	-0.5094709	-0.76969045	-0.30874702	-0.17464562	-0.7213736	-0.01123445	0.07372925	0.7627965	-0.37328658	-0.16891305	0.9972942	-0.36557296	-0.9436715	0.17560296	0.08005287	-0.24984701	0.109735325	-0.7231199	0.15704769	0.23033983	0.37319756	-0.23010965	-0.42104152	-0.20362765	-0.43433473	-0.1046469	0.3708122	-0.120140985	-0.67268705	-0.44386873	0.14374837	0.27529362	-0.4737965	0.4302088	0.4579129	0.38429987	-0.21153563	-0.46635064	0.21922858	-0.6500304	-0.6006913	0.014519422	-0.95393884	-0.99808913	0.45729688	-0.82409084	-0.5015686	-0.03172877	-0.40820605	-0.16139963	0.17592655	-0.9993666	0.27230123	0.44809115	-0.9250246	0.2159943	-0.2575455	-0.37821886	0.28462148	0.18573467	0.5467541	0.1057449	-0.39785782	-0.18114418	0.31522003	-0.3971767	0.9996775	-0.4638404	-0.5870999	0.5916169	0.17064878	0.5298863	-0.31259334	-0.6238506	0.014612573	0.9067437	-0.9549412	-0.9844226	-0.44293886	-0.25887114	-0.97393525	0.36409062	0.26456654	0.1839474	-0.19439055	0.22367987	0.5485383	-0.17031783	0.40970972	-0.5523275	0.9954177	-0.45278525	-0.028023116	-0.033505592	0.3394128	0.006953445	0.09533555	-0.060955826	-0.64244425	-0.59793097	0.051768273	0.9864164	-0.532512	0.39611518	0.38749987	-0.35702753	0.40988663	-0.9804238	-0.17993271	0.25265077	-0.2902964	0.108866684	-0.9999896	0.32921064	0.23550369	-0.73345983	-0.35284203	0.65941304	0.567906	-0.41495466	-0.3936227	0.568088	-0.2842839	0.45742285	-0.92045116	0.019066775	0.42257956	0.48970625	0.489709	0.60754097	-0.09383946	0.30377972	-0.8880233	-0.099007994	-0.4683541	0.260798	0.3148746	0.25856444	-0.53701484	0.02108826	-0.23742151	0.2793931	-0.10677716	-0.45910424	0.40024439	-0.000999485	-0.21478835	-0.12941252	-0.57153267	0.6288346	-0.55260265	-0.042233188	0.6850932	-0.99394786	-0.045867294	-0.4606644	-0.12500925	-0.34485915	-0.072628394	-0.21902643	-0.15498148	-0.42948815	0.66337425	0.24677995	0.5560262	-0.1272156	-0.08541243	0.20102559	-0.7282277	-0.6345597	-0.24960919	0.11400726	-0.22814928	0.21200083	-0.23811631	0.14623329	-0.34440437	0.06725701	0.7693217	0.26798937	0.14893074	-0.9998042	-0.3089267	0.24024583	-0.52834785	0.18433534	-0.32494804	0.66875976	-0.12676938	0.6894811	0.17545456	0.080630355	0.2019449	0.6339113	0.75734156	-0.059008718	-0.9847899	0.17221902	0.009781632	0.8641949	0.18183996	-0.53600913	-0.6667788	-0.7064581	-0.26060408	0.55503273	-0.33459947	0.5617116	-0.12357639	0.45860937	-0.12960376	-0.6258658	0.8896253	-0.43686193	0.14727594	-0.42522088	0.3933694	-0.15858556	0.30664557	0.41150078	0.08754116	0.20679262	0.54596466	-0.6864162	-0.69810355	0.280493	0.22409084	-0.35925668	-0.3547813	0.1479342	-0.003392311	0.8197292	-0.1341009	0.31301412	-0.057461906	-0.13904577	0.7152834	0.030651288	-0.025840983	-0.03357025	0.69745445	0.08758524	0.5209223	0.89922285	-0.021826655	-0.6534529	-0.1458706	-0.26425153	0.23053603	0.30203256	0.059338227	0.23941346	-0.100052506	0.99828494	-0.27466705	0.1335709	0.41574764	-0.008542996	0.12774263	-0.47847325	-0.91286826	-0.2753908	-0.419822	0.98013693	0.05643997	0.15979654	0.7048087	0.060611203	0.9999977	-0.63245606	-0.44906038	0.008273047	-0.10150006	0.7362845	-0.49957338	0.1269888	0.9461121	0.67955565	-0.8190256	-0.17295994	0.5802238	-0.6455208	0.5029056	0.7945321	0.23454525	0.207712	-0.8328722	0.19345617	0.46913147	-0.41529813	-0.9447791	0.08925609	0.3565944	-0.30672807	-0.38395226	-0.32211486	0.13897735	-0.24442524	0.14814365	-0.4180507	0.27212283	0.5210074	0.20975985	0.071446456	-0.31308317	-0.42148298	0.5876352	-0.7674852	-0.021882314	-0.04174143	-0.28620428	0.23710239	0.38924387	-0.019247955	0.24521716	0.2933471	0.4871298	0.03030254	0.67847306	0.19317544	-0.07543905	-0.7053963	-0.9465922	-0.6254621	-0.115310416	-0.14385276	-0.3533636	-0.49170104	0.28823665	0.9992053	0.5309725	-0.11824538	0.07828064	0.011211942	-0.27551168	0.14877261	0.22772735	0.088443086	0.5703021	0.06965533	0.78126466	0.4806729	-0.33745134	0.012897478	0.4950309	-0.3635708	-0.46686506	-0.9844563	-0.054553684	0.11734148	0.24221711	0.5160391	-0.0498342	0.3201255	-0.46862003	-0.4851561	-0.31278178	0.43038377	0.20402862	-0.053682253	0.26200286	0.7584033	0.40028742	-0.29779392	0.6569626	-0.06692119	0.02869786	-0.0409195	0.7740088	0.27172002	-0.093276024	0.5452351	0.944999	-0.6525625	0.10776104	-0.48312756	0.008524484	-0.047442745	-0.35730553	0.29328176	0.076609984	-0.3816958	0.6424168	-0.21230392	0.12443739	0.19857132	-0.4963047	-0.16598073	0.99994594	0.2850003	-0.94888073	-0.14873108	0.9995099	-0.40515685	-0.053078406	-0.99821377	-0.10917105	-0.6129183	0.6912082	0.30294436	0.3534149	0.23986527	-0.24275187	0.86123246	0.060320515	-0.23325643	-0.40058506	0.204682	0.14443131	-0.66321325	-0.9999835	0.9999996	-0.6499456	0.1563479	-0.45965955	-0.32763702	0.061124507	0.508872	-0.858131	-0.71954167	-0.7229539	0.43158865	-0.25089103	-0.17873614	-0.06043996	0.5390324	-0.29734316	0.5135976	-0.63509905	-0.22844376	-0.9998931	-0.09523772	0.62206006	0.15733899	-0.5599755	-0.13198556	0.35847783	0.7468201	0.20062315	0.011985531	0.82830465	-0.30391642	-0.42492408	0.9721342	0.13386028	0.90844876	-0.55743426	-0.22333352	-0.66710895	0.049900148	0.26677406	-0.17015417	-0.49350956	0.38411677	0.44601712	0.23883653	-0.4226094	0.79738307	0.15284953	-0.09836252	0.110941045	0.5946331	0.10953746	0.3039459	-0.29457814	0.98411435	0.35211104	0.19082814	-0.03573253	-0.47092327	-0.5640482	0.99988824	-0.092148915	0.4681873	0.62445617	-0.41934022	0.5272365	0.78912795	-0.98900455	-0.40379187	-0.6352093	-0.10261198	-0.20291157	0.2691306
352	1	CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl	0.90304846	0.81405926	0.58725786	0.32018486	-0.10560763	-0.14967714	0.23651676	0.17179354	0.39844385	0.17246297	-0.006287666	-0.66704965	-0.12404709	0.5684801	-0.281919	0.051463034	0.83654237	-0.7542647	0.10251824	-0.60556877	0.47734484	0.12975203	0.6438092	0.012983679	-0.27819178	0.56310785	-0.22648914	-0.39188242	-0.33655515	-0.388999	-0.21320286	0.034148328	0.23385704	-0.53770113	0.027423685	-0.12952252	0.16430058	0.589066	0.99970984	0.09314988	-0.9119558	-0.039119143	0.04366511	0.25248778	-0.5211094	0.8254859	0.008078734	-0.072272316	0.8060883	0.109617874	0.7025606	0.33963123	-0.22553408	0.15631345	0.4587459	0.049181458	0.75629175	-0.8851623	0.5287708	-0.78018796	0.7173488	-0.30145124	0.32361808	0.13670437	-0.31866524	0.7867875	-0.64954585	-0.48669037	0.77128947	-0.5396352	-0.93360484	-0.700104	0.29324666	-0.29050925	0.05561711	-0.16567503	-0.35735768	0.22408725	0.33736396	-0.99981374	0.2795309	-0.1016283	-0.9002418	0.46394187	-0.01678748	-0.88449323	0.07331215	0.48789385	0.41014972	0.25100794	-0.29096073	0.05374028	-0.4362203	0.2733117	0.99966383	-0.41486248	0.29895934	-0.3288494	-0.8374115	0.001307454	-0.03359734	0.53743213	0.19247416	0.9065949	-0.9995453	-0.7413754	-0.43617523	0.17714526	0.9600173	0.85377157	0.10098494	0.13222374	-0.054937348	-0.1569032	-0.52837574	-0.1290536	0.25278494	0.1886201	0.8391515	-0.52848566	0.5541702	0.17743699	-0.032477688	-0.44382447	-0.14452726	-0.39279583	0.63434184	-0.06469999	0.46349415	0.99981135	0.58876723	-0.535718	-0.6020109	-0.114906065	0.07378045	-0.9812124	0.008721207	-0.35390326	-0.0418768	-0.8550489	-0.9999899	0.76578826	-0.091540605	0.84470165	0.5365706	0.09377113	0.22419104	-0.6032329	-0.9974545	0.56739366	-0.5187098	-0.7614338	-0.5681495	-0.027016943	-0.59610426	0.7262341	0.7850597	-0.9332606	-0.76774085	-0.90296954	0.14201333	-0.08349314	0.37655517	0.6284477	0.11014419	0.40212	0.000153441	-0.12824242	0.092746906	-0.14732967	-0.26257977	0.4357225	-0.045108456	0.56443393	0.47814733	-0.73876536	0.84758097	0.49118614	0.32699057	0.6310826	0.8115407	-0.98732096	-0.31530985	0.07259797	0.47221953	-0.07625217	-0.20097959	0.3061629	0.114305206	0.42363855	-0.8486864	-0.64939344	-0.09866817	-0.11996391	0.4377078	-0.09311125	0.10322901	-0.90973955	0.18978712	0.489826	-0.16862795	-0.74905086	0.5448476	0.14989118	0.15059687	-0.48855776	0.8069269	0.08690137	-0.2919417	-0.9999412	-0.4139263	0.06542412	0.49473643	-0.81563705	0.022122452	0.24763341	0.592187	-0.5464098	-0.61895764	-0.2817342	0.019586826	0.4892009	-0.5588461	0.04020798	-0.93744314	-0.110465445	0.4252071	0.41638964	-0.5732017	-0.32858893	-0.6085303	-0.06844768	0.39656037	-0.45519778	0.42831087	0.6426401	0.870704	0.011282963	-0.008275138	0.010557786	0.9094927	-0.4197584	0.1724902	0.038749147	-0.54080325	0.34877464	0.01962901	-0.7105923	-0.13844015	-0.2854612	0.51494235	-0.73260677	0.64513063	-0.06942538	-0.57954645	-0.30584568	0.37312278	-0.15809937	-0.39252466	-0.16342124	0.3768407	-0.4169937	0.025545204	-0.6701418	0.032095674	0.41928035	-0.7288861	-0.20925832	0.9164049	-0.61354256	0.12308992	0.9979321	0.5342095	-0.07730815	-0.33740067	-0.43653923	0.21163052	-0.080906756	-0.26648623	0.6755954	-0.5199799	0.9607129	0.05809475	-0.3890442	-0.6039493	-0.10965601	0.10937043	0.9225594	0.8195735	0.5986991	-0.58042526	-0.05059837	-0.94873744	0.49114713	-0.7179644	0.29369816	0.9999941	-0.97467256	-0.39826918	-0.34164882	0.35030064	0.045980122	0.24782357	0.38781896	-0.30574802	-0.69530493	-0.9985835	0.315232	0.48717874	-0.043614913	-0.04234454	0.5426691	0.6421165	0.36144966	-0.4358599	0.66376346	0.13875732	0.09780181	-0.999873	-0.47471806	-0.43782163	0.5330336	0.12529615	-0.7416767	0.5366714	0.5808245	-0.12911256	-0.78987634	0.49637657	-0.78806454	-0.13185062	-0.6700857	0.19224423	0.7422038	0.35487282	0.3357108	0.306086	0.39431062	0.8878744	0.18376595	-0.084886156	0.3027353	-0.37765026	-0.021194253	0.54031295	-0.47643805	0.68763405	0.77990913	-0.052457534	-0.972048	-0.40036187	0.58706534	0.14210795	-0.5053098	0.6576578	0.015712218	0.18930097	0.9997147	-0.104226895	0.24567519	0.09318598	0.3370282	0.6121354	0.6705183	-0.77144295	0.23202285	0.23345587	0.42869312	-0.49707168	-0.45653206	-0.38957414	-0.42581832	-0.003142484	-0.81489927	0.12969522	-0.99074584	-0.25805604	-0.021969305	-0.28530782	-0.7878773	0.30916741	0.056846958	0.06727421	-0.49180937	0.64604336	-0.51874965	-0.09949978	-0.23473714	-0.14157785	0.4210507	-0.21236107	-0.24329896	-0.31435853	-0.23641576	0.36938605	-0.5014926	0.3987036	-0.41127804	-0.5199229	-0.12651712	0.97004366	0.051845558	-0.47102216	0.3927435	0.19035669	-0.2350387	0.041480016	0.16307744	0.37201896	0.12689629	-0.5532283	0.21702592	-0.13579464	-0.1714093	0.45246407	0.52346367	0.9999995	0.004640245	-0.96437716	0.40767947	0.9990115	-0.31536922	-0.360854	-0.99994946	-0.40436304	-0.9546494	0.38737234	0.10227988	0.6236318	0.19177087	0.05173483	-0.76369625	-0.16872077	0.30482528	0.72151726	-0.11778419	0.6632864	-0.36096686	-0.99982196	0.9999989	0.6843759	-0.35251626	-0.30013877	-0.5323194	0.044506043	-0.5146074	-0.11678184	-0.19091913	-0.26323304	0.7376421	-0.4528594	0.5538887	0.24828275	-0.66288745	-0.000130542	0.32155615	-0.23838162	0.9668611	-0.997672	0.6321978	0.022656718	0.2659482	0.13898027	0.42590207	-0.09379153	0.30690247	0.3468778	0.1221302	-0.078233816	-0.07829073	-0.1668752	0.959279	-0.12130371	0.14547592	0.28458843	0.401316	-0.95975596	0.53440154	-0.7138743	-0.42526254	-0.5171862	-0.38256323	-0.81630236	0.40539125	0.17140779	0.18234357	-0.21229726	-0.47517702	0.6515648	-0.37151203	-0.64425504	0.80876905	-0.7048913	0.99939704	0.12838925	0.029727869	-0.2843903	0.45332304	0.08199496	0.9999742	0.55938435	-0.124544784	-0.6382746	0.06777041	-0.21262047	-0.5308802	-0.99928266	-0.2690823	0.2751015	0.77348286	0.6246558	0.1585289
353	0	C#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21	0.42997468	0.8168454	0.5218489	-0.14312573	-0.062866256	-0.17830111	0.5177899	-0.5669105	0.08927156	0.33002016	0.6448366	-0.87241596	0.7841215	0.5910513	-0.025886007	0.41271293	0.44923544	-0.45251185	-0.044114377	0.04068365	0.43362415	-0.1713779	0.6873694	0.13322435	0.5178112	0.77705497	-0.4735033	0.013933532	-0.002273943	-0.3704487	-0.019860161	-0.40797415	-0.036903203	-0.21392879	-0.35986105	-0.26435247	-0.090769984	0.7274038	0.9996147	0.19982374	-0.9198873	-0.15589042	0.26157406	0.20420268	0.5562033	0.27213064	0.5819867	0.53786016	0.21559803	-0.007094666	0.8326756	-0.06950995	0.18984018	-0.6162997	0.44220456	0.3947331	0.18350096	-0.8994574	0.36056373	-0.78592837	0.38320795	-0.1400055	-0.2171746	0.23062328	0.12857068	0.48739585	-0.2644833	-0.12161122	0.24002853	-0.36958718	-0.9366054	-0.98833007	0.29167604	-0.19628534	-0.5247434	0.11974029	0.18715595	0.24154072	0.6362246	-0.99968183	0.24510525	0.276353	-0.92242104	-0.2787236	-0.53589624	-0.340127	0.0481941	0.6745547	0.5724912	-0.15912962	-0.21061325	-0.24128	-0.7441317	0.03940233	0.9997582	0.29530185	-0.53354126	-0.59585726	-0.8168983	-0.042739883	-0.22023009	0.51379156	0.13988408	0.74664223	-0.9987509	-0.51613384	-0.20332079	0.62512344	0.9751645	0.50759953	-0.4706932	0.5151933	0.44569907	-0.17647493	0.017641595	-0.036866423	0.35962752	-0.19801305	0.9594296	-0.70049036	0.595002	-0.5000928	0.46187422	-0.6700673	0.02182515	-0.648946	-0.30183777	-0.5111927	0.38389182	0.9956045	0.21565558	-0.36281994	-0.5395036	0.018644808	0.5668256	-0.9765671	0.41859156	-0.47168416	0.12089034	-0.9666553	-0.9999983	0.78964746	-0.09710286	0.92312247	0.7932451	-0.21255672	0.08536767	-0.5874416	-0.98745173	0.013125638	-0.041433502	-0.5409434	-0.68442816	0.20878196	-0.3366456	0.000735652	0.19185302	-0.76356614	-0.37161505	-0.91568637	-0.47357902	-0.21419959	0.10898295	0.5649515	0.67383575	-0.21267368	0.33036545	0.32468662	-0.0416179	0.43357933	-0.5081248	0.15026198	0.03011035	0.41088143	0.30093852	-0.7049188	0.906858	0.37202033	0.48613882	0.66257894	0.6785964	-0.9827	-0.2012324	-0.32338116	0.47798544	-0.2007038	-0.5798149	0.11471341	-0.3131694	0.21469285	-0.59394735	-0.52076095	0.34483245	-0.25983304	0.51217914	-0.14329642	0.09162187	-0.8257982	0.45133653	-0.05794294	0.12266006	-0.124767005	0.5878667	0.38411787	0.38373667	0.25996467	0.5104968	0.6305667	0.2850929	-0.9998642	-0.032992747	-0.2693121	0.456576	-0.44498292	0.0567364	0.11285046	0.67361444	-0.80550975	-0.5576942	0.43231854	0.07239743	-0.32632744	-0.42324737	0.5094215	-0.9264207	-0.10210259	0.1009711	0.7919305	-0.37439063	-0.07853159	-0.63844323	-0.357952	0.22666875	-0.1383498	0.035424724	0.5777855	0.5357159	-0.19178094	0.27619523	0.031415947	0.8053514	0.5097676	-0.056995127	-0.016300282	-0.5728382	0.44954854	0.040883094	-0.42106315	0.11930721	-0.5560399	0.54994506	-0.043876708	0.23202662	-0.23217699	-0.2915489	0.31791404	-0.06709768	-0.46086064	-0.34558976	0.56024104	0.2642309	-0.6308126	-0.110671595	-0.6394062	0.069643155	-0.40904126	-0.6015139	0.015725916	0.96570146	-0.25746337	0.18972482	0.9975925	0.6598109	-0.27734005	-0.37842995	-0.38803944	0.6199023	-0.6009894	-0.7048604	0.1563251	0.10291031	0.9902008	-0.028186975	-0.82148147	-0.15750355	-0.29716054	-0.06838186	0.9144316	0.9179915	0.7197942	0.11081449	0.54187506	-0.8716417	0.4541682	-0.8523576	0.15791577	0.9999997	-0.8196405	-0.035643023	-0.36606333	0.09059132	0.116418645	0.41929623	-0.22007117	-0.47202337	-0.43647373	-0.9925354	-0.2176214	-0.08498809	-0.28608197	-0.19053993	0.3669738	0.8269058	0.04117423	-0.5108461	0.5843202	0.14396955	-0.003982958	-0.99989706	-0.263389	-0.016863821	0.72215426	-0.14757597	0.068341345	0.56644785	0.72045237	-0.90168303	-0.3786579	0.028506774	-0.39187086	-0.042526044	-0.051791564	-0.2359907	0.6357224	0.08693598	-0.58601516	-0.23098768	-0.023826277	0.61601806	-0.3331612	0.48031172	-0.069051154	-0.007442049	-0.496536	-0.6502647	-0.7603334	0.66312563	0.49505904	0.18323779	-0.92277086	-0.70709413	0.027886808	0.28205252	-0.3244187	0.18606737	-0.31943056	-0.59013605	0.99943656	-0.27243817	-0.19941862	0.5762535	0.66554856	0.34017947	0.74268025	-0.3917465	-0.70663357	-0.11112765	0.76767534	0.16001722	-0.10739911	-0.4192605	-0.7330139	0.6308021	-0.67313683	0.2287535	-0.9999992	0.5311979	-0.009470694	-0.20723511	-0.36357746	-0.47096002	-0.4233547	-0.29319006	-0.065153435	0.40382022	-0.079603225	-0.4649092	-0.48125076	0.55009466	-0.20104484	-0.08045583	-0.30378217	-0.024355216	-0.038447957	0.16702507	-0.27479118	0.54485065	0.20358787	0.77179223	-0.05305516	0.9736703	-0.08382976	-0.40545115	0.021258209	0.2649212	-0.31551155	-0.1750373	-0.128032	0.04851897	-0.23869972	-0.10257017	0.09003337	-0.00565536	-0.45789024	-0.066129856	0.14912322	0.99999946	0.52075696	-0.94031805	0.2221077	0.9996856	-0.28000283	-0.029817082	-0.9999373	-0.32876995	-0.67173874	0.5908235	-0.4903264	0.07286099	-0.436686	0.45968267	0.15248685	0.17801268	0.5537558	0.54015094	-0.23317452	-0.17990054	0.12724206	-0.999971	1	0.21336718	-0.3456701	-0.6618006	-0.4825799	-0.36257666	-0.18964903	-0.77826965	-0.46690214	-0.5224086	0.24390478	-0.32264102	0.6835852	0.47418496	-0.42780447	0.234369	0.40394977	-0.5615665	0.880205	-0.99962205	0.527774	0.3402259	0.21393803	-0.07182377	-0.35184026	0.08060099	0.25914025	0.651754	0.13516784	-0.07514422	-0.14691563	0.072529584	0.90914834	-0.2792064	0.62258756	-0.15521818	0.2512491	-0.81308335	0.5756035	-0.58595186	0.1443704	-0.15366302	-0.101168655	-0.28771263	0.2012071	-0.5124581	-0.619676	0.013111818	-0.44777733	0.82551855	-0.58339304	0.28189668	0.29571745	-0.5313319	0.9981003	-0.29661417	-0.43726835	-0.2700295	0.41135335	-0.7353899	0.9998517	-0.13949461	-0.37617785	-0.58550984	-0.29119372	0.40542182	-0.21601272	-0.9984703	0.51274645	-0.1336086	0.9144962	0.62835634	0.49471575
354	0	CN(C)C(=O)Nc1cccc(C(F)(F)F)c1	-0.8834604	0.42199197	-0.06325142	0.59134364	-0.15248278	-0.7125545	-0.47549793	-0.21267067	-0.19563784	-0.14425482	-0.36599365	0.10288895	-0.2931584	0.20854354	0.18395478	-0.13715288	0.081825	-0.02369853	0.042821866	-0.12497894	-0.08514317	-0.5994335	-0.2288091	-0.22354877	0.18264958	0.79953754	0.5217724	0.20769283	0.21062024	0.3238146	0.017368896	0.3936811	0.26833922	0.11591463	-0.007052328	0.47848	0.16750553	0.7302942	0.89106166	-0.76727796	-0.9961439	-0.59563726	-0.27824476	0.37269098	0.07318285	-0.9901009	0.14094263	0.19915238	0.81186426	-0.33062458	0.43056178	0.08487158	0.007212542	-0.2338621	-0.75885046	0.3818859	-0.7508657	0.8066692	-0.355413	0.31679276	0.12104222	-0.33458054	0.291317	0.13882434	0.7061437	0.18374786	0.32241246	0.30547532	0.38992724	0.07434628	-0.35094538	-0.9817889	0.39883024	0.136953	0.48443022	0.13885635	0.05560615	-0.38386944	0.61888087	-0.9993139	-0.3286263	0.04606456	-0.8121217	0.0337688	-0.6548804	-0.4227839	0.11909451	-0.22819233	0.0170969	0.16628848	-0.32607046	-0.08298423	0.5562382	0.24800944	0.9741403	-0.62475514	0.073983	0.15812823	0.248888	-0.21396184	-0.027563777	-0.40476027	0.32360905	0.47253865	0.070813656	0.2853095	0.5211466	0.29218668	-0.7127123	-0.60646605	-0.19478568	-0.04661506	-0.32840627	-0.43844035	0.43932334	0.3685298	0.44831473	0.6689757	0.9993962	-0.32398173	0.50637674	-0.3118128	-0.11983247	-0.15395795	-0.36865902	0.09916406	-0.55797946	-0.1857294	-0.45391557	0.99936485	0.12773709	0.2682264	0.4093945	-0.1385309	-0.2531851	-0.9440492	0.5799124	0.513822	-0.8124346	-0.01361625	-0.9972561	0.35845104	0.9800344	0.21532275	0.07368212	0.6621649	0.3298435	-0.26686352	0.92076916	-0.6232648	-0.4738261	0.8205578	-0.023946445	0.21341428	-0.80254054	-0.2099923	-0.25865337	0.99414605	-0.39112923	0.27713162	-0.98488045	0.03082953	0.039158832	-0.15092115	0.15852673	-0.29967928	-0.27812183	0.43997717	-0.119265616	0.3046386	-0.6007498	-0.2287234	0.45365068	0.6149574	-0.40394348	-0.97697306	-0.8152874	0.35676244	0.1147577	-0.41295344	-0.3075512	-0.40592426	-0.14988263	-0.5515077	-0.87185854	-0.74338794	0.4063188	0.6622742	-0.039811354	-0.6085003	0.3653345	0.054052632	0.18805432	0.3922242	0.28566462	0.031883106	0.3551739	-0.91180855	0.6748042	-0.6257322	0.14960326	0.089197144	-0.7825425	-0.35737887	0.06538977	0.046651833	0.5301982	-0.09646044	0.03919923	-0.9958472	0.27891093	-0.43957183	0.17231908	-0.23602323	0.07486614	0.69632554	-0.40505445	-0.12972884	-0.38222855	0.34185085	0.38571504	-0.4980644	-0.6772768	-0.487292	-0.92344576	0.022915376	-0.03410435	-0.5976791	-0.40322402	-0.051248588	-0.50582993	-0.17423357	0.52650803	0.018578801	0.15573035	0.055716723	-0.20099315	0.30785015	0.14415324	-0.47293678	0.8321955	0.31125566	-0.14342201	-0.6398458	0.28584984	-0.7423339	-0.25088862	-0.13725401	0.08834972	0.01741996	0.7584407	-0.9987549	-0.2690748	0.3926376	0.29265073	0.13624306	-0.84818006	0.28015462	0.21194147	-0.74622643	-0.057923842	-0.28339055	-0.35931483	-0.23596671	0.5726915	-0.21936387	0.08489369	0.36734247	0.40687215	0.19880907	-0.28643045	-0.31991512	0.5017399	0.22694601	-0.2627202	-0.48479626	0.7490958	-0.06628259	-0.51873165	-0.26662666	-0.17910028	0.9997994	-0.29871985	-0.23467056	0.2501715	0.020631904	-0.49959433	0.13901244	-0.036793098	-0.21789965	-0.003193203	0.9989632	0.14524938	0.6951479	0.23052153	-0.12715574	0.99719507	-0.96528316	0.001182373	0.07155896	-0.31014332	-0.009253019	-0.40107182	0.04433839	-0.24585491	-0.4672775	0.942237	0.111084476	0.61534643	-0.09217223	-0.27654365	-0.16223142	-0.50994986	-0.23771016	0.73618233	-0.20864542	0.120589964	-0.19743922	-0.9901882	-0.22019246	-0.15905	0.39445594	0.2513983	-0.2884817	-0.39500526	0.2921679	0.09342783	-0.96757525	-0.61836237	0.2126413	-0.59759724	-0.43810123	0.13889039	-0.15759832	-0.5381264	0.19302212	-0.26119417	-0.021625405	-0.26785058	0.40027	0.053580463	0.66234744	0.22844915	0.45020485	-0.033938713	0.24026462	-0.14780334	-0.40778142	0.2917498	0.47059217	-0.9967462	0.20824109	0.05749305	-0.33775583	0.005104978	-0.47417364	0.21700333	0.9998268	-0.31962958	-0.6162287	-0.2530177	-0.16685697	-0.2855086	0.116178714	-0.77912074	-0.5660945	0.29781738	-0.6988816	-0.6360501	0.2437168	0.519627	-0.45625815	0.08509888	0.87445253	-0.5722708	1	-0.31333503	-0.5661509	0.054122515	-0.2224097	-0.712533	0.22512664	-0.18312529	0.097523	0.23880835	0.13031638	0.12019733	0.5618555	0.4511212	0.63550586	-0.26568484	0.18321542	0.2843469	0.4119137	0.38721856	-0.55640006	0.14086041	0.18728708	0.45556977	-0.24562924	-0.6675014	-0.31626633	-0.19164258	0.044402234	0.10270413	-0.55699	-0.4301705	-0.4800671	0.008355585	-0.31077766	0.6121677	0.23374175	-0.16850929	0.27625343	-0.12161784	0.34654704	0.9999824	0.24419494	-0.96613	0.17855124	0.99996114	-0.31329116	-0.08904921	-0.99882776	-0.51225126	-0.028477864	0.48307252	-0.34729633	-0.64953834	0.08081666	0.35301918	0.22974135	0.07442945	0.09089856	-0.22976495	0.12040846	0.24624337	0.33557782	-0.9999946	-0.9996029	-0.9754016	0.07951161	0.25320536	-0.37043226	-0.46078968	-0.5785216	-0.8942641	-0.3152696	-0.62690675	-0.19511607	-0.82617563	-0.04954455	0.2785853	0.03147241	0.31035268	0.124930434	-0.06159393	-0.9386439	-0.9999801	0.12687802	0.40679005	-0.30342993	-0.3807862	0.06530107	-0.9828176	-0.36095864	0.14901382	0.47959712	-0.21124563	-0.004730025	0.5806047	0.9495322	-0.037222754	0.97198355	0.21898788	-0.21003371	-0.33833978	-0.6178624	0.40595776	0.13141742	-0.5817972	-0.4403206	0.55427843	-0.060711417	0.43494457	-0.17610346	-0.62503266	-0.25145113	0.49480444	0.713548	-0.17379643	0.19395392	-0.06951112	0.24878718	-0.43629894	0.039647263	-0.19278133	-0.67919445	0.6178368	0.99987906	0.084109895	0.50081384	-0.0977208	0.10131569	-0.4647329	0.3280587	-0.5970884	0.6162111	-0.4519063	0.56281865	0.60265523	0.15014389
355	1	c1ccc2c(c1)-c1cccc3cccc-2c13	-0.7087471	-0.15196872	0.39168644	0.009343016	0.35169098	-0.616348	-0.24995479	0.076831646	0.74191546	0.21290855	-0.6214775	0.2890953	0.4014783	-0.31369093	-0.3916703	0.83893144	-0.4940335	-0.040921774	-0.24252108	-0.5171043	0.13292642	-0.8554409	-0.7029893	-0.12028475	0.46245986	0.28603625	-0.08676007	0.1420834	0.38918683	-0.1182979	0.21125346	0.23911214	0.17616414	-0.63874286	0.32100424	0.2307692	-0.08000162	0.51080984	0.9729758	-0.9756918	-0.975788	-0.27767655	-0.40389103	-0.30643773	0.45328557	-0.9828536	0.41507313	-0.17044927	0.9833215	-0.58327085	0.040092863	0.01650713	0.019916933	-0.02212761	-0.9721709	0.43803746	-0.8017672	0.7876679	0.019548256	-0.024822256	-0.47740322	-0.56030875	0.030270206	-0.23764293	-0.39428383	0.66901696	-0.33337164	0.48877746	0.59051985	0.60621864	0.97407436	-0.24282299	0.328173	-0.71273696	0.87024766	-0.46316364	-0.24619131	0.1431016	0.2387905	-0.9960436	-0.60942227	0.2777565	-0.8566905	0.44441333	0.03031311	-0.8674462	-0.404714	-0.6042183	-0.6131683	0.45417568	0.38703242	0.018358061	0.09766838	0.69796765	-0.16536918	-0.11751222	0.8222868	-0.74115646	0.58254355	0.4614231	0.4283196	-0.17427422	0.6292884	0.6841481	-0.6188401	0.6804652	-0.6533848	0.5307851	0.993581	-0.557456	-0.45024514	-0.056752943	0.7365672	-0.08102823	-0.21312028	0.41401863	-0.5635599	0.48944303	0.998273	-0.21650012	-0.58393466	-0.5038813	-0.72860813	0.29978764	0.22278194	-0.16307333	0.09534415	0.43311188	-0.15751812	0.99995613	-0.437387	-0.062750876	0.093724445	-0.20224784	-0.10681984	-0.8380731	0.7777732	0.5065334	0.21117675	-0.06137146	-0.9998004	-0.004764539	0.99396145	0.08391711	0.671999	0.52850133	0.111702785	0.1390627	0.62172335	0.41894934	-0.543536	-0.84158516	0.38646927	0.26533467	0.22366102	0.34767723	-0.30823562	0.9730303	0.11922553	-0.6556554	-0.9781557	-0.56738293	-0.5645831	0.31702453	0.574748	-0.4872322	0.18070637	-0.30829293	0.2183687	0.34249043	-0.913396	-0.2164275	0.81570137	-0.30908084	0.037874665	-0.93693924	-0.7855482	-0.06961153	-0.09330705	0.4184898	-0.086031765	0.87822235	0.83982927	-0.5103659	-0.84568244	-0.66905385	-0.38685068	0.20739116	-0.4874899	0.3538096	0.722853	0.170973	-0.21562028	-0.13414413	0.4307163	0.24703622	-0.3099821	-0.7580157	0.88565314	-0.43324232	0.5978095	0.38882327	-0.3548422	0.10720863	0.51136523	0.66594493	0.14980803	-0.50976205	0.3281081	-0.99883175	-0.034077566	0.40190405	-0.107415915	0.0531477	-0.067977056	0.11042606	-0.13153714	0.3054565	-0.51789016	0.43183565	0.19835895	0.5275846	-0.7332736	-0.061049767	-0.99541616	-0.010529622	-0.23022571	-0.058203172	0.13140795	-0.22173555	0.004530805	-0.15865591	0.052504696	-0.62563896	-0.25215217	-0.25135478	-0.38109735	-0.2712311	-0.3870379	-0.39781833	0.83699584	0.21502708	0.012817279	-0.6127246	0.27769226	0.084763095	0.17614669	0.4964407	0.5033517	0.36729336	-0.30399933	0.1792049	-0.25879005	0.19243987	-0.06468445	-0.22077006	0.14692548	0.40012053	-0.2623041	-0.20161569	-0.25920448	-0.036393967	-0.11503988	-0.8019042	0.050473303	0.3726262	-0.6197522	-0.43486992	0.5006129	0.42273757	0.31193626	0.70448864	-0.18489817	0.17097075	0.33711383	0.8085643	0.35411036	-0.13766235	-0.26629078	-0.31700322	-0.2922291	0.9997881	0.15369911	0.5766985	0.108031675	0.02954819	-0.6209971	0.86380684	0.97766876	0.16381136	0.48128754	0.99664444	0.286759	0.11716615	-0.3961056	0.7370221	0.9999923	-0.99825245	0.19938177	-0.39322767	-0.21986425	0.35234398	-0.25095966	-0.46069276	-0.25032705	-0.98546755	0.8356356	0.42285928	-0.7714293	0.07086865	-0.6039615	0.35761672	-0.2801072	0.4001303	0.96777505	-0.42389876	-0.30563736	-0.19968322	-0.9999292	-0.43838447	0.30925676	0.7178482	0.6473679	0.042774342	-0.65532565	0.57465833	0.18032016	-0.9675554	-0.44073516	0.55053246	0.007894418	-0.22321448	0.5826444	-0.5176335	-0.25743067	0.9431372	-0.033237927	0.12418149	-0.3495121	-0.23730697	0.08938229	0.45658046	0.24325977	-0.06345869	-0.6814088	0.432251	-0.12553352	-0.45809013	-0.2762437	0.31399846	-0.9973156	0.65775615	-0.5567122	0.5336833	0.75488853	0.17802788	0.22520696	0.9996987	-0.2841974	-0.6306106	0.20086673	-0.6122905	0.11602744	-0.053976763	-0.9580429	-0.3309747	-0.051074773	-0.18810202	-0.13379121	-0.11428467	-0.324217	-0.7377283	0.85371256	0.8856433	-0.55576444	-0.99999994	-0.2020804	-0.48722908	-0.34701434	0.40219548	-0.92990017	0.1592056	-0.7274665	-0.6184986	-0.58338463	-0.36080775	0.06575679	0.039817806	0.7446863	0.6491353	0.2379181	0.17817098	0.119817205	0.20668097	0.36443877	0.62805724	0.085222475	-0.22858427	0.925401	-0.8224592	-0.9627784	0.21854478	0.43741614	0.10920321	0.2295402	-0.835484	-0.68091637	-0.724293	-0.62126553	0.55355257	0.57045346	-0.3622907	-0.23921585	-0.29023683	0.37550834	-0.23673391	0.9999998	0.6584813	-0.98456	0.372053	0.99963784	-0.38178566	-0.16668797	-0.99985194	-0.616797	0.2704127	0.67527914	-0.04335035	-0.20026103	0.113773726	-0.03244605	-0.53654194	-0.10611798	-0.44783148	-0.6185644	0.049723204	-0.23651797	0.2973474	-0.9999944	1	-0.95618445	0.4641661	-0.6158463	0.35924757	0.22726166	-0.30942285	-0.7489219	0.5840836	0.41312286	-0.450942	-0.9042702	-0.60500234	0.09395121	-0.11377761	-0.048382305	0.45075968	-0.63183504	-0.8218913	-0.9999725	-0.5928555	0.47575766	-0.3021095	-0.59465605	-0.6724057	-0.9989517	-0.5563373	-0.6621341	0.5685293	0.6714784	0.22845197	-0.4954193	0.9208193	-0.37771824	0.13332209	0.40552813	0.5676279	0.42458248	-0.83312947	-0.037449673	0.8309414	-0.6206622	-0.8578667	-0.95618284	-0.59017366	-0.21287191	0.46158192	-0.049136672	0.26176137	0.19300815	0.4438873	0.5195173	-0.082126155	0.006396534	0.7256705	0.33180046	-0.16737041	-0.8148778	-0.14573509	0.33067694	0.99950534	0.66277283	0.32449105	0.26250836	-0.23039237	-0.10176031	0.17735928	-0.8263589	-0.20204033	0.034714293	0.3087577	0.5522788	0.36725563
356	1	OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.743697	0.56762636	-0.80942875	-0.15337743	0.69480056	-0.7560713	-0.23449142	0.029208109	-0.061931387	-0.8446998	-0.22206414	0.36638904	-0.41819185	0.87767327	0.18460381	-0.9966643	-0.7094478	0.5476118	-0.47030818	-0.7011117	-0.65705657	0.11822105	0.7626856	-0.4848788	0.81548524	0.72166145	0.4197997	0.37709782	0.9768779	-0.29803216	-0.650423	0.7592637	0.31684786	0.59168285	0.07085828	0.9075516	0.051301103	0.5176982	0.99983025	0.5144508	0.19447911	-0.54443514	0.39284346	-0.79011375	0.08228572	0.49038625	0.76667434	0.38668546	0.984942	-0.21714316	-0.28551704	-0.08658433	-0.1284158	-0.6256945	-0.6896087	-0.3790961	-0.60811526	-0.9849305	-0.80713457	-0.16654088	0.49928948	0.1296593	0.4464664	0.016464874	0.060986158	0.56352365	-0.020475507	-0.78125143	-0.4324303	0.32036644	-0.62595457	0.13191558	0.003324317	0.83552396	0.9249195	-0.93043154	0.86128545	0.06123823	-0.7275219	-0.99728256	-0.038949955	0.7774165	-0.80039155	0.33722776	0.30476427	-0.85345596	0.09062315	0.2079661	0.16497661	0.66663086	0.3491204	0.568885	0.56282073	0.08131062	0.9555114	-0.06365316	0.6893317	-0.3983171	-0.22762384	0.4761487	-0.5725885	-0.20618083	-0.02189076	-0.46277153	-0.9997027	0.72315174	-0.18971066	0.015643973	-0.6664708	-0.30648163	-0.22035372	-0.04674387	-0.80722094	-0.49071535	0.53363436	0.8647515	0.3854981	0.7453021	0.9615558	-0.78263366	0.86349326	-0.08519991	0.33725804	-0.19411293	0.30366313	0.71801937	-0.59337705	-0.348424	-0.25938734	0.99982935	-0.49505958	-0.6464793	0.95461184	-0.65752214	-0.32294503	-0.8277073	0.5061013	0.7493096	-0.91655797	-0.73502356	0.9994844	-0.21603419	0.9601754	-0.27064228	0.5887138	0.08246906	0.8916335	-0.08986876	-0.99702466	0.12328978	-0.39242032	-0.60537434	-0.09692239	-0.84826183	-0.6365604	-0.55158556	0.43008292	-0.9364944	-0.9835153	-0.08326244	0.28948066	-0.550496	-0.569546	-0.1160099	0.8977034	0.41826317	-0.825254	0.40742108	-0.02431653	-0.20264034	-0.84488034	-0.80637926	-0.15014438	0.73825425	-0.6457621	-0.9081531	-0.86643803	0.77235967	0.03667307	0.6139266	-0.75113964	0.6023894	-0.52610123	-0.92950475	0.93074113	-0.6888284	0.15288824	0.7377147	-0.71688646	-0.9657046	0.11423268	0.80547667	0.42811933	0.536768	0.002897913	0.16918895	0.4102655	-0.6962027	0.14965346	-0.29432946	-0.6815973	0.5109038	-0.25401923	-0.6211223	0.62156236	-0.53339475	0.5857836	0.589147	-0.73739636	-0.9999378	-0.47520757	0.7058605	0.7766382	0.092967875	-0.84897786	0.40210173	-0.32589117	-0.32609499	-0.28716305	0.54241943	-0.22638991	-0.2393514	-0.22175711	-0.17900406	0.75833297	-0.42682764	0.76929307	-0.092623286	0.010829877	-0.84146994	-0.10373311	-0.20308301	-0.023593772	0.050322622	-0.45512736	0.5794018	-0.44173953	0.085708	-0.23327364	-0.3954453	0.50205666	0.9036238	0.74718446	0.22991557	-0.9863778	-0.018448485	-0.3242581	-0.046206623	-0.7459988	0.00129223	0.5283143	-0.999748	-0.8561224	0.4328865	-0.34178448	-0.62959087	-0.29192823	-0.5518834	-0.39435363	-0.007515202	-0.5363314	0.2922163	0.24934015	-0.4443001	0.5003375	-0.72262144	0.33865917	0.20474167	0.83945084	0.33613864	-0.8910797	0.9981034	0.7062303	0.6540149	-0.5822837	0.87681174	0.21597508	-0.79079217	0.15991296	-0.99322677	-0.55744374	0.9543454	-0.16507654	0.36199543	0.17723791	0.7213236	-0.81321204	0.861407	-0.84841293	-0.94628197	-0.64659554	0.20726359	-0.90291417	0.734771	0.38500804	-0.66703975	-0.99682033	-0.998305	0.09845224	-0.08567485	0.13769266	-0.65937346	-0.3666022	0.7210129	-0.43429044	-0.07174235	-0.9952568	0.55135417	-0.15408221	-0.1252562	0.5933168	-0.19281222	0.3167901	0.40971404	0.9299139	0.8641589	-0.29716763	0.25452822	-0.9494427	-0.50323594	0.20172034	0.5250767	0.83472586	0.46383992	-0.47014213	0.7627741	-0.13657568	-0.9342996	-0.89427644	-0.24060097	-0.87358433	0.11912023	-0.4041179	0.005837534	-0.19761291	0.9787248	-0.8806462	-0.516237	0.10554284	0.15337326	-0.9007261	0.42137492	0.94791967	-0.94915736	-0.16095625	-0.7634645	-0.24349639	0.25631958	0.4755498	-0.8978604	-0.15579288	-0.50977546	0.7392596	-0.077926464	0.19687541	0.21584274	0.128286	0.9999637	-0.13540737	-0.4589023	0.36390322	0.7615637	0.17608334	-0.14621323	-0.94325846	-0.28026673	0.70271176	0.8378705	0.588157	-0.3422395	-0.08938449	0.18339744	0.9120224	-0.18058792	0.077893734	1	0.34505323	-0.5843691	-0.294388	-0.14775178	-0.8105449	0.45940965	-0.8690716	0.36618248	-0.38158897	-0.77148694	-0.72688055	0.88343966	0.7766415	0.57919115	0.36866325	-0.16954525	0.12609272	0.026999364	0.37333027	-0.9987255	-0.8921361	-0.5614155	0.82914436	-0.6153663	-0.010938655	-0.34981713	-0.23213847	-0.16579808	-0.087210156	-0.60283667	0.29199332	-0.21762487	0.1689474	-0.41152602	0.6581108	0.088769056	-0.12917253	0.6154265	0.63576764	0.6718309	0.99984443	-0.18179174	-0.99003655	0.23433574	0.99854225	-0.9788153	-0.33287358	-0.99933994	0.07092424	0.21627207	-0.020567488	0.16986603	-0.067886315	-0.27128088	0.43279365	-0.9470962	0.16948313	-0.27720526	-0.72836095	-0.69128394	-0.29595667	0.16714625	-0.99995524	-0.9999999	-0.37687144	-0.0319022	0.42583653	-0.33735922	0.44448596	-0.8606736	-0.44031045	-0.3504164	-0.83760697	0.8420357	-0.7691868	0.33382258	-0.01756413	0.055188756	0.2970955	0.21864884	-0.7923461	0.9158203	-0.9993597	0.7814787	0.71694225	0.11976111	-0.37379166	0.16956131	-0.96208566	0.15970694	-0.46481124	0.35971537	0.6316189	-0.08999125	0.33683088	-0.94238484	-0.22181746	-0.47916707	-0.24298264	0.13830869	-0.65825564	0.5173439	-0.6036406	0.24933632	-0.9155796	-0.88432145	-0.99957734	0.30963925	-0.65913486	0.5306414	-0.16071294	0.4916665	0.19410971	0.8988456	-0.75907755	0.20761424	0.6385093	0.9988777	-0.062543556	0.7952099	0.032576	0.74212533	0.31639394	0.9928256	0.8727606	-0.8564917	-0.46297726	-0.35998186	-0.713282	0.9201716	-0.9991243	0.19164358	0.49683294	0.9754393	0.85059893	0.101643376
357	0	CON=C(C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F	0.62987936	-0.04772363	0.011028857	-0.3817781	0.20145449	-0.033117317	0.20343053	-0.34524179	-0.058403566	-0.30654004	0.52934045	0.28532723	0.06922098	-0.3850122	0.26561943	0.39161894	0.2859271	-0.26632833	0.23686582	-0.5495963	0.50544333	0.70861936	-0.39035422	-0.7493375	-0.35810235	-0.039169233	0.55077916	0.08982878	-0.5509023	0.20250362	-0.23760034	-0.80093265	-0.76638645	0.12846412	-0.14973807	-0.6146681	0.31801462	0.45281267	0.9998946	-0.6673399	0.8000994	0.38350794	0.76679826	-0.26697493	-0.77223384	0.9447984	-0.70679146	0.40378404	0.8653307	0.6976516	0.4092494	-0.51544726	0.14614615	0.6956615	0.70923245	0.34745127	-0.54541594	-0.9326214	-0.49664658	0.19481409	-0.009466031	0.49142402	-0.4089817	-0.20233344	-0.7995593	-0.26997897	-0.8105095	-0.3911378	0.19347925	-0.2652079	-0.9026006	-0.8903868	0.47205028	-0.76395744	0.06793487	-0.39795774	-0.7144758	-0.22929911	-0.27257642	-0.9969223	0.9278516	-0.05999292	-0.96690017	0.3321331	-0.32904154	-0.84667146	0.1228555	0.12883055	-0.51535904	0.17054245	-0.10238995	0.16474131	0.7054298	0.71605545	0.9998936	0.07615973	0.3507515	-0.8697999	0.6411561	-0.44508046	0.6846978	-0.5659695	-0.57462513	0.9823302	-0.999902	-0.9929513	0.15439896	-0.32428643	0.86063707	0.71120137	0.44197413	-0.08610272	-0.29626337	-0.29527107	0.26627192	-0.45347086	0.09940536	0.8594934	0.63499427	-0.4248267	0.14536098	-0.41525102	-0.11889269	0.41250733	-0.7141866	-0.16946016	-0.45457596	-0.32338905	-0.2329578	0.9972721	0.5979271	0.045519147	-0.20506911	0.6929718	-0.2651982	-0.9958698	-0.000563847	-0.6120127	0.22054777	-0.26800045	-0.99999714	-0.5295115	-0.34744146	-0.007957704	0.2795125	-0.16334763	-0.57804984	0.4225309	-0.9996961	-0.08326221	0.8021603	-0.8719212	-0.5309597	-0.61482906	0.053247657	0.154823	0.33710748	-0.985833	-0.6126798	-0.95935655	0.35194197	-0.80093753	-0.10507972	0.078039795	-0.25647154	0.6390966	-0.38044265	0.60667706	0.33152884	0.10479246	0.75823456	-0.5414622	-0.08694915	0.26164868	0.5945377	0.56627524	-0.3899802	0.040637385	-0.821324	0.42857507	0.31014547	-0.94345987	-0.85777324	-0.03393491	0.9576806	0.29132107	0.17637652	-0.13441385	0.019864889	-0.21849918	0.7658521	-0.5945596	0.39266244	0.31985793	0.3136434	-0.012415482	-0.20372126	-0.5954535	-0.15796465	0.28901836	0.20059681	-0.3195999	-0.14829062	0.013715627	0.5917397	-0.49531758	0.4983294	-0.7008038	0.84123784	-0.9999485	0.6428735	-0.35976386	-0.84630585	0.85861886	0.07632819	-0.13810578	-0.002223142	-0.656544	-0.1427661	-0.616282	0.17400567	0.1677654	0.7343642	-0.05320579	-0.936977	-0.5441827	0.6120014	0.07746195	0.6776973	0.7109358	0.15457357	0.45967382	-0.23533466	-0.39309648	0.3128525	-0.09400748	-0.08287374	-0.20791557	0.65195376	-0.5442252	0.8912574	-0.11142324	-0.8127743	0.37350225	0.75718695	0.001586831	0.6356193	0.16085492	0.13045065	-0.18164255	0.09405959	0.12168104	-0.58113664	-0.30353203	0.3929208	-0.4822703	-0.012302188	-0.17855299	-0.54675543	-0.3650871	0.008091909	-0.8005298	-0.40796465	0.07202255	-0.41225684	0.004230976	0.06496976	-0.28592452	0.8824212	-0.64790726	0.28126606	0.99998486	-0.04856638	0.018232923	0.43019247	-0.5265139	-0.2855237	0.013533772	0.09456151	0.27254543	-0.4357749	0.8622784	-0.193121	0.33324707	-0.60891503	0.84381014	0.6613706	0.7106913	-0.2215229	-0.54295456	-0.4949926	-0.59759116	0.88006586	-0.04741402	-0.16548204	-0.44017333	0.9999999	-0.9260111	0.35960445	0.652384	0.3874524	-0.40776512	-0.4172881	0.06343472	0.8686588	0.4992611	-0.9995821	-0.48859724	0.6550348	0.13432795	-0.37792847	-0.7376422	-0.2882338	0.04740399	0.2940848	-0.41690552	0.030805826	-0.18525332	-0.99908173	0.5920555	-0.3132385	-0.031953536	-0.8301081	-0.93283087	0.6954345	0.49265456	0.23159894	0.54248166	-0.51599085	-0.5692884	-0.003403978	0.31833595	-0.3156966	-0.3458238	0.3595892	0.27430817	0.38909823	-0.4178875	0.06876515	0.7121715	0.395221	-0.15851848	-0.23087035	0.8015747	0.61984396	-0.047296625	0.40798852	0.079045	-0.003325001	-0.9839655	0.33839545	0.5041285	0.8117884	0.27280942	-0.20312466	-0.34167728	0.4934024	0.99979866	0.3406657	0.35696694	0.34978643	0.44703424	0.22378896	-0.6571573	-0.45656395	0.15013902	-0.29909348	-0.25796434	0.1650415	-0.490808	-0.35878554	0.71722066	0.54532486	-0.96285695	-0.62746555	-0.9999995	0.17218637	0.06883092	0.46109787	0.587417	0.6179775	-0.5184963	-0.29141733	0.80320394	-0.28063482	-0.8216502	0.01311184	0.057886723	-0.42686534	0.46449926	0.3462313	0.03864056	-0.48240906	-0.42729238	0.5719303	-0.2661926	-0.52287525	-0.11346868	-0.002080214	0.2524965	0.9936652	-0.33328632	0.20324059	0.07892079	-0.55046254	-0.74043244	-0.31486353	0.68916947	0.7878186	-0.24707647	-0.7585718	0.39192405	-0.116625845	-0.27519202	0.33397627	-0.44608873	0.999992	-0.13319309	-0.941172	0.1661207	0.98825794	-0.25985983	0.09535688	-0.99969906	0.65052074	-0.8971302	0.3229222	0.23554453	0.21683091	-0.35897678	0.47063714	0.39681187	-0.41444984	0.116186075	0.12667754	-0.09631882	0.40774947	-0.65282404	-0.99923694	1	0.8335583	-0.007999737	0.73341715	-0.7235731	0.40678	0.20987058	-0.001752993	0.1321351	0.16592018	0.8892086	-0.6223194	0.016551033	-0.85502946	-0.31921858	0.72397476	-0.43373734	-0.7220126	0.9840438	-0.99295104	0.14099655	0.86731267	0.011661567	-0.14557238	0.4257334	0.6354767	0.54225147	0.061506394	0.40526998	0.26229474	-0.08915997	0.72557425	0.9785752	-0.031173123	0.47523555	0.5748448	-0.056951813	-0.03619356	0.3969082	-0.13054717	0.22652875	-0.34545413	0.44351023	-0.99453515	-0.22322132	-0.13836099	0.09639887	-0.13558446	-0.60747504	-0.4905831	0.11881557	-0.23619038	0.638992	0.13582128	0.99980325	-0.016612565	0.6886678	-0.27952853	-0.000532454	-0.4492076	0.99956506	-0.18133286	0.2481777	-0.20224455	0.16464314	-0.6935548	0.56039697	-0.9996033	0.8431914	-0.26408032	-0.32186225	-0.83496565	-0.35885328
358	0	Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl	-0.44781965	0.41971853	-0.76305306	-0.61081797	-0.5296124	0.06034593	0.33071652	-0.5629231	0.62350816	0.21689463	-0.41894674	-0.45288652	0.16048816	-0.0769964	-0.043740377	-0.6541359	-0.17491966	-0.088573284	-0.44166645	-0.6651342	0.76969415	-0.12900038	0.49166992	0.18171562	0.37346417	0.12041237	0.12978545	0.091694236	0.43552876	0.145765	0.049257893	0.44177914	-0.3556445	-0.44106096	0.15121992	-0.39338493	-0.49705994	-0.42406735	0.8943929	-0.70518047	-0.75957066	-0.3114304	0.30264568	-0.12743561	0.29284158	-0.9767091	0.22523746	0.060077626	0.33500955	-0.38262385	0.1412036	0.5146313	-0.10035813	-0.4029618	-0.4457319	-0.7437319	-0.27772808	0.7274399	-0.5443843	-0.016151844	0.28525513	0.013636877	0.21079196	0.2714239	-0.24408904	0.60120094	0.6521182	-0.17654902	0.5929349	-0.30145475	-0.9283368	-0.9927728	-0.040892974	-0.43842167	-0.18334155	-0.019965028	0.14255816	-0.5651513	0.24317983	-0.9960871	-0.53071433	-0.68299794	-0.82892805	-0.2751259	0.25186184	0.39613438	0.6485625	0.6600945	0.21399315	0.39020324	0.54766536	0.28083187	0.46516174	0.5645501	0.99844724	-0.21212736	-0.40577197	-0.016373765	0.6487449	0.014476419	0.33311895	-0.7512229	-0.20904186	-0.16217183	0.16952628	-0.9541591	-0.4475031	-0.14023729	-0.999554	0.45475915	-0.40824205	-0.33937582	-0.4749006	-0.25023833	0.22136238	-0.25362357	0.50566256	0.64188766	0.9995007	-0.41120452	0.016232572	-0.010727061	0.11971446	0.1487881	-0.35551178	-0.36366442	-0.39485154	0.32883638	-0.14432041	0.9842204	-0.6307158	-0.48387972	0.6186096	-0.149866	0.1129449	-0.612066	0.094953805	-0.70009416	-0.7061901	-0.22000755	-0.9993511	0.5162209	0.8595247	0.22405154	-0.15842138	0.71141684	0.092913225	0.14931732	0.94295955	-0.046762537	0.21141566	-0.269628	-0.22939296	0.16224885	-0.30018756	-0.43571782	0.16809222	0.9945244	-0.7370162	-0.4433797	-0.98474383	-0.42524454	-0.033436205	0.37299383	0.13802439	0.14222614	-0.16237628	-0.32677087	0.25342625	0.07536226	-0.75946665	-0.1985528	0.30361506	0.031634033	0.3623555	-0.11032914	-0.6151073	0.42730966	-0.31468967	0.6424854	0.41927424	-0.9857695	0.29304016	-0.05656153	0.014893308	-0.1257911	0.38638902	-0.19150122	0.31183258	-0.037668634	0.93477535	0.10044436	0.119945414	-0.25252306	0.083090775	0.34863186	0.46650162	0.56096834	-0.5128085	0.056436174	0.042753592	0.6954252	-0.16687912	-0.7810183	-0.23737074	-0.41934648	0.386182	0.4025374	0.5792892	-0.99456537	0.59526116	0.2868576	-0.107290454	-0.09733477	0.20200942	-0.01703993	0.42105916	0.011930135	-0.03795085	0.31452325	0.2770556	-0.7431485	0.32298398	0.6346215	0.9999949	-0.10833844	-0.23577178	0.74531585	0.59766114	0.22614081	-0.17782214	0.29092658	0.017003268	0.10697069	0.04967506	-0.3055225	0.2456359	0.008634963	0.11328042	0.3290254	0.8856355	0.61695206	-0.16828114	-0.36686096	0.3804366	-0.20940177	0.43753564	0.2217437	-0.36832267	-0.45995298	-0.3553141	-0.9990075	-0.2509736	-0.15410896	-0.42125013	0.1797258	0.68989867	0.33235624	-0.51203996	0.40880886	-0.35849592	0.20195176	0.54056627	-0.39698032	0.5782128	-0.15602647	-0.62555003	0.26143032	-0.48101836	-0.07563634	0.5891159	0.96406573	0.4000825	0.26729396	0.58527416	0.94008577	0.13960743	0.08375638	0.2671532	-0.51106113	0.04000166	0.9991471	0.14198436	0.6027734	0.08010461	-0.1746386	-0.49676532	-0.8421892	-0.8126767	-0.06317921	-0.27330902	0.99900746	-0.13214606	0.8050923	-0.6835488	0.31021714	0.998821	-0.6204686	0.3253709	0.5591122	0.29107386	0.07348021	-0.5740843	0.47546956	0.57209086	-0.0977324	0.94169223	0.2794494	-0.40786657	0.074434645	0.6042003	-0.3873158	0.039699554	-0.30121776	-0.47561708	0.4056995	0.11458591	-0.18110612	0.9320047	-0.04983941	-0.37380812	0.529037	0.35215265	-0.2411424	-0.08730808	0.24607272	0.5831667	-0.848389	0.064586565	-0.25410214	0.011815779	-0.4573175	-0.41664514	0.41952604	0.4441508	-0.722383	0.52390414	-0.13597786	-0.21420167	0.567303	-0.027531575	-0.44921038	-0.5276401	-0.10323835	-0.037594687	0.079877116	0.76192063	-0.27426282	0.4929762	0.6539243	-0.98524225	0.03957327	0.58042777	-0.23250613	0.339509	0.73867965	0.15133141	0.99945563	-0.56160426	0.70106584	-0.6772316	0.40142426	0.4551676	0.1412791	-0.05788608	-0.35105753	0.4383575	0.6157553	-0.061286557	0.27150574	0.0860006	0.66099566	0.5181469	-0.16384545	-0.26115525	1	-0.293892	-0.50487727	-0.3622313	-0.8028085	-0.6723917	-0.80383587	-0.43269616	-0.022519154	-0.12096454	-0.023945784	-0.57274693	0.47551683	-0.71649134	0.8597374	0.1669459	0.705058	-0.14011444	0.72091043	0.6747797	-0.66081566	0.33626768	0.66253144	0.5567688	0.5572943	0.23704465	0.06146458	0.0878329	-0.16543044	-0.047496248	0.47754136	0.2698763	-0.31399015	0.118059784	0.27274206	0.002506109	0.2657522	-0.20217003	-0.12160497	0.55260545	-0.003498026	0.9628726	0.18885528	-0.9920353	0.62207127	0.9996385	-0.71166503	0.39659062	-0.9711292	-0.5119743	0.03237507	-0.08677042	0.066473484	-0.031727567	0.14755264	-0.21472338	0.45588428	0.19506098	-0.2614681	-0.43509033	-0.45377657	0.64618576	0.65808606	-0.9999789	-0.9986883	-0.99262005	0.27241486	-0.5778023	-0.41237482	0.031751696	-0.28263548	-0.66804206	0.087388955	-0.27749228	-0.36915004	-0.32282168	0.2986528	-0.49046403	0.13000283	0.46916184	-0.38910136	-0.4988219	-0.94036347	-0.99992085	0.25023267	0.3944545	-0.2724333	0.30576557	0.31081107	-0.10351067	0.7020515	0.024603667	-0.33363456	0.452091	-0.24183704	-0.42702022	0.930468	0.71858156	0.83258474	-0.8392167	-0.5678427	-0.43066677	-0.3190082	0.20442922	0.35238704	0.3354722	0.75267774	-0.26796833	0.11725789	-0.5607338	-0.35850772	0.21694493	0.7284093	0.102543145	0.7035221	0.12949648	0.5411573	0.3500227	0.19187282	-0.33944044	-0.18430607	-0.07407389	0.029078374	-0.34438422	0.9998947	0.7344175	-0.81444323	-0.061020184	-0.101200454	0.058510236	0.60885113	-0.8359345	-0.58905804	0.32312492	0.60155	0.25232863	-0.24629213
359	0	CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl	0.7526627	0.5849971	-0.5360189	-0.058895163	0.17732637	-0.17423661	-0.44560537	0.13723612	0.14804992	-0.59782916	-0.19944368	-0.6491168	0.4308481	-0.6623942	0.44035378	-0.78851736	0.6023097	-0.15595105	0.33072403	-0.57064223	0.39616624	-0.38750115	0.3822802	0.38966814	-0.21307214	-0.30537677	-0.33367294	-0.56575	-0.13398278	-0.37733203	-0.07244304	0.42364973	0.63666016	-0.11069371	0.7342299	-0.003609165	-0.46518135	-0.010639652	0.9980508	-0.45632347	-0.5736464	0.49959064	-0.045652434	0.017557962	-0.68980694	-0.21907763	0.07888239	-0.37725335	0.8719455	-0.104558885	0.7072852	0.29357803	0.20216873	-0.5143269	-0.25372413	-0.6072176	0.39098987	-0.13424335	0.24847107	-0.23192897	0.022298008	-0.31074277	-0.3412524	0.48822922	-0.3081821	0.80528384	0.23493397	-0.70362705	0.664137	-0.4908618	-0.9720202	-0.59888625	-0.68269813	-0.32615793	0.25670162	-0.45824513	-0.32595077	0.6067286	0.21148159	-0.99972373	-0.070252456	0.62440753	-0.9244789	0.18193445	0.60205615	-0.9297021	0.20424087	-0.15990226	0.015969599	-0.04611362	-0.01840842	0.41099444	0.5227708	0.29791507	0.9992068	-0.29121292	0.4144257	-0.7206596	0.00277748	-0.6073137	0.72487384	-0.07527648	0.4986057	0.9094953	-0.98817825	-0.9144866	-0.22162299	0.41669166	-0.95420825	0.5742513	0.67377347	-0.41202873	0.05121599	-0.009320609	-0.24622318	-0.1468147	0.24003287	0.4311985	0.98541176	0.18047863	-0.6640534	0.32795978	0.49153823	-0.37120464	-0.65525043	-0.3901703	-0.11338151	0.7466949	0.7304463	0.99985665	0.6306223	-0.4902088	-0.09280434	0.25135	-0.7920069	-0.95835954	-0.27640572	-0.43182588	-0.5566472	-0.06590077	-0.9995932	0.32108378	0.73993033	0.5271174	-0.85985285	0.4585799	0.3287447	-0.35683295	-0.82952	0.15868689	0.16024964	-0.8008873	0.11464819	0.25864357	-0.20671019	0.7086773	0.5354288	0.43570498	-0.8825533	-0.7734658	-0.5955356	-0.047509328	-0.33886743	0.71572757	0.3372477	-0.5062823	0.035397362	-0.8824922	-0.520264	0.4638322	0.67091817	-0.11633489	0.49027115	0.21095872	0.5880693	0.06403956	-0.36910328	0.77312016	-0.50025004	0.86664367	0.8161168	-0.9436856	0.5047244	0.033893675	0.5389751	-0.079117216	0.676078	-0.2314038	-0.470728	-0.30982316	-0.5251348	-0.48990002	0.036575034	-0.096587636	-0.25000733	0.68067515	-0.377454	-0.7409367	-0.66777056	0.114844054	-0.30333072	-0.42768347	-0.16965128	-0.5555072	-0.48270828	-0.93323886	0.2360456	-0.2140305	-0.03012777	-0.9998032	0.396198	0.7481555	-0.54171777	-0.43563733	0.12397228	-0.2422864	0.41845298	-0.5448495	0.5612777	0.45777336	0.5807248	0.035200752	0.032125488	0.02565759	0.9736543	0.22307771	0.28598574	0.42653528	0.25731593	-0.73164165	0.58304924	0.66881526	-0.47190624	0.06739982	0.11533435	0.59101313	0.106463216	-0.021138744	0.4639888	0.5012196	0.8671099	0.5300274	0.5722142	0.44199097	-0.19317336	0.20701025	0.494846	-0.17470372	0.063660696	0.2354023	0.16630575	-0.99850005	0.30755818	0.41472036	-0.7971496	-0.20249534	0.59375364	-0.6656435	-0.23986876	0.2525985	-0.36113623	0.3275988	-0.21408387	-0.8588012	0.86444306	-0.28659412	0.33107316	-0.6627039	-0.2111725	-0.48722228	0.6844351	0.9990771	-0.07042044	0.004428037	-0.37187207	-0.48094743	-0.25565964	-0.012099248	0.68408716	-0.33602026	-0.25987846	0.9961813	-0.4842656	0.18979666	-0.55396104	-0.38900706	0.24709	0.75025856	-0.10081571	0.011173781	-0.036079984	0.9480691	-0.8449538	0.039589338	-0.46309564	0.31684738	0.99891186	-0.9858753	0.11413644	0.2523992	-0.050136175	0.19040093	-0.15373139	-0.33818492	-0.21646129	-0.47636116	-0.9322874	0.26163375	0.41762152	0.34734103	0.81750625	0.44499493	0.3506683	0.22165243	0.14141934	0.028212223	0.000321906	0.21663213	-0.96280396	0.1824065	-0.2627134	0.46481785	-0.32926998	-0.8328158	0.17628586	0.37500718	0.55233914	-0.80739295	0.37791136	0.03505372	-0.4726607	-0.10494897	0.46381038	0.2996951	0.002229946	0.6640526	0.47298762	0.14863645	0.8922729	0.31949452	-0.49775752	0.28607893	0.443558	-0.21836177	-0.27147055	-0.23301262	-0.4559918	0.06558846	0.49612594	-0.73752797	-0.9292319	-0.34725752	0.4430475	-0.45548233	0.11988679	0.19876891	0.709789	0.99966246	-0.22292824	-0.26952574	-0.7278761	0.72942877	0.5253925	-0.4484295	-0.5769328	-0.29631537	0.31339547	0.07021434	0.47442186	-0.88346666	-0.66384625	-0.06240072	-0.582419	-0.67084694	-0.18928105	1	0.03655591	-0.28372166	-0.3498615	-0.51813954	0.2057389	-0.02821741	0.41843238	-0.029825842	0.55800015	-0.4134552	-0.49753678	0.52981645	-0.79902965	0.48342568	0.40812743	0.115704864	0.27791774	0.33819675	0.61790395	-0.94227153	0.14823954	-0.61665446	-0.83817947	-0.19786403	0.7545718	0.102213785	-0.77664524	0.7695474	0.3465628	0.008360642	-0.22580904	-0.37115303	0.10195553	0.006282255	-0.003429541	-0.28914088	0.41890272	-0.78226686	0.41558024	-0.0660291	0.9999567	0.24098659	-0.9839402	0.45081666	0.9992775	-0.6218072	-0.7285341	-0.9994806	-0.63494176	-0.85783607	-0.44378555	0.33477136	0.803116	0.17992753	0.25499034	-0.81758493	0.38709968	-0.19974758	0.028440291	-0.009122325	0.20573086	0.17011175	-0.99996144	-0.9939248	-0.50434524	0.77987075	-0.26534823	-0.5026446	0.48146504	-0.5762875	0.6386961	-0.5790262	0.21034774	0.7683765	-0.38353774	0.4827577	-0.09566744	0.2639377	0.7737581	-0.038382497	-0.34292442	0.6322629	-0.9995691	-0.60886455	0.3017556	0.2824489	0.33689752	0.54170793	-0.67933726	0.5873247	0.40692803	0.06654185	0.27925906	-0.051696684	0.036546018	0.9470051	-0.41058296	-0.5526962	-0.37543917	0.36909458	-0.65991	0.24008705	-0.20514646	-0.30472502	-0.26641357	0.19030093	-0.56812507	-0.24922802	-0.5309249	-0.06099103	-0.1036335	0.027776968	0.42454502	0.31039146	-0.7349942	0.38188657	0.42990297	0.99497265	-0.015494616	-0.15755351	-0.24049579	0.058479883	-0.15763544	0.99999934	0.773862	0.33791977	0.033127517	0.5103237	-0.46461815	-0.2260509	-0.9974264	-0.22858527	0.666423	0.025833352	-0.37195483	-0.17742354
360	1	CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	-0.7659403	0.58038825	0.37592676	-0.20951062	-0.21888514	-0.65630066	-0.4969102	0.085245065	0.33167866	-0.1180355	-0.1879993	0.2080537	-0.54311126	0.61541504	0.39289555	-0.7876952	0.25803062	-0.07809748	0.19378637	0.09386386	0.36384454	-0.23813161	0.12784652	0.17997546	-0.25005645	0.78289783	0.51964474	-0.010339933	0.06256516	-0.41149545	-0.16005288	0.29378915	-0.12693566	0.2187366	0.48397794	0.4821541	0.31474295	0.6126761	0.9888519	-0.3497348	-0.9899573	-0.666917	0.032072872	-0.09290784	-0.33008677	-0.9495542	0.15646937	0.49030268	0.807162	-0.52489597	0.6147207	0.5390784	-0.7471595	-0.21365553	-0.6221844	-0.02025191	-0.7289448	0.008084083	-0.20637624	0.28429267	-0.2655458	-0.3460073	0.20370294	-0.6128421	0.6135031	0.2835404	0.6756909	0.29212528	-0.001045223	0.1516948	-0.63615	-0.96904594	0.2392634	-0.2027136	0.33265218	0.19475172	0.018631132	-0.29659477	0.61720026	-0.9995804	0.113770954	-0.50003946	-0.8698959	-0.11053467	-0.34119156	-0.56654066	0.001163459	0.24722342	-0.76512134	0.08967833	-0.51106215	-0.034052882	0.4700955	0.245448	0.9972332	-0.55677414	0.22321822	0.013933625	0.042306148	-0.1304566	0.17291076	-0.47242445	0.4096356	-0.04901122	-0.87120676	-0.46422914	-0.12780657	-0.044915322	-0.9176264	0.012472115	0.06322746	-0.19221584	-0.7242704	-0.5373941	0.33672887	0.03332209	0.5069602	0.22124942	0.999066	-0.7156995	0.70385486	-0.5117749	-0.33663672	-0.74989974	-0.5079133	0.004821955	-0.4840367	-0.72105837	-0.06561858	0.99914783	0.16335835	0.13318406	0.556248	0.49551338	-0.30784333	-0.9409489	0.4951252	0.4585963	-0.8341609	0.52549094	-0.99922335	0.53855383	0.7807044	0.37406415	0.067770645	0.52928275	-0.2476847	0.02574184	0.3995326	-0.23829421	-0.39168808	0.8786153	-0.2908096	0.67476016	-0.4566479	-0.21606307	-0.1445292	0.9185933	-0.816924	0.33732605	-0.9662635	0.19959739	-0.09080002	-0.401309	-0.16404569	0.27681527	0.037702937	0.48454928	-0.3418942	0.24315588	-0.5080606	-0.19043975	0.44875374	0.2815506	-0.14169392	-0.9380066	-0.8373679	0.058804896	-0.001307964	0.19500895	-0.5566838	-0.9908619	-0.19368164	0.04587291	-0.61878204	-0.32852215	0.28892457	0.6692443	-0.50058526	-0.642164	0.061146833	0.43637222	-0.105981834	0.40932855	-0.09824734	0.36917388	0.5948009	0.2257657	0.5621632	0.42490765	-0.30668825	0.29892218	-0.49967712	-0.39582503	-0.27216431	-0.63112944	0.6335924	0.121790186	-0.15771191	-0.99788374	-0.049784895	-0.15856013	-0.081558324	-0.6209113	-0.28375667	0.59088373	0.11401029	0.23409566	-0.6060476	-0.3087059	0.5890217	-0.29461318	-0.19703181	-0.493563	-0.89448667	0.28639272	0.021787679	-0.19096257	-0.43426824	-0.11813151	-0.43973705	-0.13117081	0.73611754	0.08570551	-0.26049542	0.31783724	0.23492251	0.23034747	0.43784675	-0.26896542	0.6997506	0.5852737	0.60993075	-0.58444	0.24840085	-0.35121608	-0.23367967	0.4144388	-0.08431288	0.29166594	0.50642246	-0.9984414	-0.27371818	0.36948368	-0.035603747	-0.35144648	-0.4939182	-0.042201627	0.5823346	-0.4098483	-0.7296932	0.046166986	-0.29381183	-0.22546019	0.6840957	-0.057645544	0.17198162	0.7132332	0.68199617	0.053655006	-0.1401868	0.32435802	0.71905625	-0.05590016	-0.714	-0.16885059	-0.16463958	0.10776984	0.14554332	-0.4319812	-0.1183221	0.99937826	-0.03138009	-0.2380164	0.37814495	0.040340416	-0.41338155	0.17318402	-0.7840155	-0.28499565	0.18414323	0.99339277	-0.36420012	0.9080333	0.19567604	-0.30832207	0.99949944	-0.9573339	-0.37065813	0.0760797	-0.24482743	0.5457973	-0.6911749	0.19550939	-0.46807575	-0.33412665	0.26881647	-0.048518527	0.29833564	0.26759455	0.15638071	-0.12998258	-0.14752568	-0.034847084	-0.6944757	0.5239423	0.18162656	0.4430696	-0.9650852	-0.1354344	0.007117955	0.07824651	0.33754745	-0.75060356	-0.27157348	0.16959098	0.4975449	-0.9642301	-0.3713574	-0.14808354	-0.3503739	-0.5395766	-0.17532592	-0.11342735	-0.4177364	-0.10044695	0.015437753	0.26707804	-0.36509076	0.5816601	-0.17391424	0.784111	-0.6496177	0.010958165	0.053490743	0.21477349	0.11592175	-0.47825134	0.23523328	-0.20636569	-0.9810993	-0.18605003	-0.428222	-0.53853095	-0.3293207	-0.4266324	0.683001	0.9997545	-0.14708816	0.12902237	0.4248719	0.28194666	0.2835369	0.08698777	-0.6719578	0.21759002	0.14856523	-0.29079822	-0.5151237	-0.19264467	0.26641688	-0.013100896	0.12399749	0.6292298	0.13878162	1	-0.45341533	-0.69133663	-0.066619426	-0.15888274	-0.5711146	0.07314281	-0.6470246	-0.0912231	0.26925737	0.054020524	0.5121539	0.06317294	0.18745309	0.7627999	0.32407427	-0.43504626	0.27722827	0.6334196	0.006268575	-0.8048237	0.060527146	-0.0945064	0.63072777	0.0289152	0.5619093	0.00206294	-0.14013256	-0.023694582	0.31650388	-0.46695322	0.07704288	0.96322143	-0.037754335	-0.58914715	0.7519235	0.5006971	-0.08422251	0.65095735	-0.057808783	0.43019953	0.99992406	-0.19817023	-0.94296026	0.15541106	0.99990696	-0.6002929	-0.2897353	-0.998202	-0.48377907	0.13029133	0.69167566	0.05629152	-0.8143322	-0.31069925	-0.048868485	-0.22193435	0.25516617	0.24629869	-0.14271086	0.20867485	0.101584844	-0.28576392	-0.9999921	-0.9987719	-0.94175434	0.28125837	0.47329602	-0.33723208	-0.44135922	-0.45267183	-0.9041873	-0.63628966	-0.65169746	0.13393925	-0.88496	0.34922126	0.19226733	-0.1770385	0.38201863	-0.3585892	0.35959044	-0.5823652	-0.999974	-0.08360392	0.07167797	-0.3071785	-0.36347118	0.24716541	-0.6019371	0.646471	0.15882146	-0.47456238	-0.6333537	0.1461212	0.4507429	0.95970505	-0.13307106	0.8314453	-0.25644252	-0.60029525	-0.32127693	-0.20791611	0.015377889	-0.5217467	-0.5873658	-0.14827351	0.6813005	-0.35329315	0.12743351	0.2244667	-0.53935254	-0.6790551	0.36637276	0.6784687	-0.826802	0.11641056	0.21170768	0.84043294	-0.012335048	-0.141039	-0.52880335	0.036144465	0.06997988	0.99984515	0.11478861	0.43098295	-0.4185036	0.20724797	-0.64547235	-0.28228933	-0.9136091	-0.24463496	-0.7088327	0.49788386	0.64589775	-0.47829622
361	0	COC(=O)CSc1cc(N=c2sc(=O)n3n2CCCC3)c(F)cc1Cl	0.91923296	0.064478904	-0.027759023	-0.87887615	-0.81486464	-0.24612342	0.53318727	0.47091752	0.013759913	0.70499873	0.5354195	-0.7554688	0.40337127	0.23843738	-0.19530368	0.08160767	0.65335274	-0.82077056	-0.22597797	-0.31826717	-0.055169165	-0.2058226	0.7424137	0.16905878	-0.6059706	0.12440419	0.08187611	-0.4243601	-0.15049107	-0.025760066	-0.03188444	0.46322882	-0.29128423	0.03390314	0.16630234	-0.33875117	0.65324235	-0.05722365	0.9990747	0.06888636	-0.9595084	0.011152364	0.80175614	0.40830162	0.078533	0.26879573	0.037822064	-0.19411819	0.9191709	0.3543379	-0.45810962	0.62199366	-0.5866153	-0.4934177	0.028938241	0.57101834	-0.4220519	-0.78327596	0.2736646	-0.13014682	0.3023339	0.035603713	0.43213663	0.31696215	-0.58364487	0.021059653	-0.014221791	-0.50740546	0.34406054	0.72848314	-0.9497036	-0.9906351	-0.017562615	-0.75274974	-0.38134274	-0.42935485	0.4351197	-0.32448667	0.4307568	-0.99981236	0.02385704	0.05225928	-0.9283172	0.14109372	-0.63916826	-0.23781694	-0.13920644	0.60634243	-0.09679271	0.5884733	-0.50067735	-0.16709673	-0.1681222	-0.54721594	0.9998773	-0.26445457	-0.32796678	0.54078776	-0.5239966	0.5162414	0.3662271	0.6202866	0.056245845	0.7596633	-0.9977471	-0.98098326	0.35562387	-0.040946852	0.8882739	0.80231297	0.18858944	0.48875615	-0.3568834	0.08047044	-0.7385445	0.18843986	0.07400091	-0.45219192	0.9756288	-0.41699773	-0.4034849	0.09333855	0.0893387	0.0817003	0.27111337	-0.023425583	0.030737065	0.15059929	0.033070955	0.9942549	0.31178412	-0.007527701	0.25635865	-0.5759276	0.22170766	-0.9925279	-0.3912586	-0.8168082	-0.5126802	-0.48430264	-0.9999959	-0.20073703	0.07720585	0.79041296	0.2224172	-0.71821076	-0.6727132	0.15086631	-0.97568166	-0.013096815	-0.17421234	-0.67128605	-0.82522696	-0.4858218	-0.32709286	-0.08518727	0.81577086	-0.50150156	-0.7100128	-0.9556496	-0.6408794	0.5664606	0.09467132	0.19576141	0.09724761	-0.58919185	0.6985735	-0.38784984	0.86913496	-0.2801204	0.15830964	0.39996764	0.28488186	0.38489234	-0.3265619	0.796432	0.76163304	-0.004637198	-0.6414111	0.649354	0.14252596	-0.98649436	0.058895484	-0.2435167	0.560875	-0.16414532	0.07030333	0.41760513	0.7139301	0.5996719	-0.3131321	-0.09128659	0.22689122	-0.5116212	0.564674	-0.41284746	0.43745726	-0.87911475	-0.027526392	0.3234353	-0.57095975	-0.8752104	-0.59201425	0.55917054	-0.42632395	-0.47142598	0.34686896	-0.300839	0.14873321	-0.99988663	0.07232015	-0.23118028	-0.18048732	0.706882	-0.38297233	0.866709	0.36653218	-0.62479144	-0.1721628	-0.50355	-0.24792632	0.87766767	0.087804444	-0.4584255	-0.86440885	0.21489398	-0.2433052	0.46079376	-0.540633	0.07878939	-0.060188543	-0.48806775	0.12194809	0.021040242	-0.09750312	-0.059335288	0.02928342	-0.3726021	0.28227875	0.2747563	0.92863274	-0.10874869	0.19493315	0.10406433	-0.078719325	0.24500722	0.34751213	-0.43045115	-0.06332421	-0.12185806	0.10756239	-0.65455467	-0.19782959	0.28106576	-0.40543213	-0.21758924	-0.51307833	0.45249766	-0.5884246	-0.7529582	-0.22662789	-0.22947614	0.41632822	-0.28776926	-0.47722843	-0.20634258	-0.23760808	0.5371794	0.8849517	-0.72256136	0.80467534	0.9997015	0.30521184	0.09996011	-0.68398917	-0.83968186	-0.15075444	0.41545862	0.3359285	0.494712	-0.7317144	0.98945934	0.6286079	-0.26946193	-0.47428998	0.31930095	-0.22887479	0.7248128	0.38501582	-0.100564115	-0.096968286	0.82286483	-0.7357762	0.75967366	0.5092054	0.5059849	0.9999987	-0.8100855	0.35484397	-0.3222629	0.30257827	0.21138114	0.30954346	0.7574951	0.5904139	0.6043477	-0.9792985	0.08808361	0.30222934	0.36182377	0.6213271	0.04208906	0.64379627	-0.105831295	-0.46680805	0.730225	0.38275	-0.2939086	-0.9994913	0.038158704	-0.026273753	0.1990824	0.70311093	-0.15009435	0.58048093	0.36092415	-0.48982948	-0.44997063	0.33039525	-0.3820746	0.09318876	-0.13952997	0.019127276	0.82176477	0.2926114	-0.6791223	0.6117858	-0.61704284	0.75818133	-0.38399345	0.42642853	-0.55792147	-0.4738366	-0.22073446	0.90476805	-0.7752122	0.5546553	-0.22920212	0.24825363	-0.8878523	-0.679417	-0.68366843	0.29075843	-0.36316925	-0.19210596	-0.5570715	-0.46592763	0.9989208	0.4544488	0.6033789	0.842874	0.21198659	0.4552874	0.6849533	-0.36566612	0.45480725	0.35673705	0.5001275	-0.32603207	-0.25485775	-0.705712	0.4266422	0.40304598	-0.8843237	0.67685205	-0.9955857	-0.20152377	0.345473	0.19884925	0.54903316	0.27300075	-0.83224183	-0.5172997	-0.58886254	0.23053339	0.22337271	0.64677864	-0.45832998	-0.34109366	0.5377511	-0.4665055	0.5538524	-0.639561	-0.097226754	0.24776356	-0.44454	-0.13420507	0.15087597	-0.16754328	0.5055682	0.97479236	-0.7024158	-0.6119001	0.6280553	-0.44097733	0.38804722	-0.27612305	0.21482947	0.5517127	0.5394777	-0.23435307	0.79705554	0.22295736	-0.1560516	-0.30924672	0.62330645	0.9999982	-0.45151988	-0.9566901	0.1936567	0.99692905	-0.3978467	-0.4636326	-0.99979055	0.5884249	-0.89316463	0.15713817	-0.7072031	-0.3081983	-0.39215517	-0.017635519	0.4472529	-0.6841345	-0.4714116	-0.1312247	-0.2188573	0.77320147	0.12863323	-0.9999616	0.9999999	-0.23700416	-0.54058725	0.12524201	-0.65296584	-0.5310258	0.17843296	-0.54480547	0.4987593	0.12903205	0.6364023	0.05815335	0.17310321	0.7631963	-0.04504702	-0.1335372	-0.2305916	-0.18207976	0.6979891	-0.9993927	0.34023815	0.33864528	0.3801749	-0.031175025	0.13267213	0.35965276	0.8115558	0.6432838	-0.8381363	0.13480817	-0.1907328	-0.49138045	0.97858506	-0.26124313	0.79322535	0.60639334	-0.28797945	0.5345054	0.29287386	-0.56186676	-0.72816664	-0.14368355	0.49204925	-0.9203026	0.68244284	0.7616406	0.105019145	0.3476623	-0.37815493	0.72166556	0.054859176	-0.36103126	0.86677325	-0.49127808	0.9971075	0.39227223	0.24414974	-0.39181557	-0.11715603	0.4965575	0.9998667	-0.019582799	0.43283072	-0.6903286	0.21189967	-0.8350592	0.084506966	-0.9986926	0.2369063	0.83986014	0.389836	-0.051721685	0.09414718
362	0	CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1	-0.7763419	0.38331884	-0.23894757	-0.064085186	-0.32861173	-0.23011065	-0.5025538	0.26821843	0.5339296	-0.08602442	-0.6348552	0.19506744	-0.03516177	0.3178621	-0.027867144	-0.60369927	-0.32902452	0.18983988	0.121822126	-0.61870134	0.003781263	-0.40151146	-0.24048992	0.23978554	0.137199	0.8208745	0.033972844	0.09444391	0.5947976	-0.26561955	-0.38064888	-0.14901048	-0.20021719	-0.118251905	0.03133095	0.3276237	0.17283304	0.7994237	0.99749637	-0.7426639	-0.99627	0.20029217	-0.05379555	-0.033781152	-0.037529368	-0.7837444	-0.4453001	0.09508778	0.40211114	-0.065307565	0.5687327	-0.17776968	-0.026054917	-0.2833453	-0.6019345	0.65775424	-0.6576548	-0.20991813	0.32480234	0.1860245	0.009625582	-0.18715252	0.49426058	-0.48598683	0.24003191	-0.07469996	0.6246276	0.09272422	0.3199138	-0.050827503	-0.83087003	-0.7110164	0.012516178	-0.5687139	0.77220225	-0.46641552	-0.013978744	0.11511751	-0.025211873	-0.9981185	-0.05338578	-0.022834487	-0.9168633	-0.26871622	0.34326884	-0.96846527	-0.28293225	0.19170903	-0.42330715	0.505901	-0.33811945	-0.25438157	0.55073315	0.58800596	0.99040496	-0.48971346	0.81978184	0.11263075	-0.3868866	0.3058966	0.2523784	-0.3131683	0.015858417	0.90631545	-0.9754961	-0.11719076	0.13513981	0.4444907	-0.93471354	-0.38405502	-0.07872219	0.38506177	-0.38985816	-0.20896955	0.3729742	0.44810662	0.026124	0.79229766	0.99022603	-0.072994135	-0.22969177	0.2512978	-0.000753097	-0.0843761	-0.43737495	-0.06214652	-0.5045511	-0.7460541	0.13188669	0.9999535	0.13713522	0.35488373	0.6258177	-0.31423053	-0.15588216	-0.99069387	0.58543056	0.6460913	-0.76783085	0.58339566	-0.9999476	0.02606975	0.9457435	0.39874247	-0.08704477	0.400796	0.23348951	-0.19502312	-0.5789957	0.03931591	-0.18889484	0.87466073	-0.028658891	0.34821314	-0.5504827	-0.07841854	-0.49943134	0.5608442	-0.83925384	0.57197297	-0.8398677	0.3462607	0.2686943	0.14274046	-0.44422257	-0.17182289	-0.18402779	0.7399416	-0.037451107	0.6549459	-0.289667	-0.3022653	0.43949407	-0.012955032	-0.28988168	-0.97052735	-0.6827599	0.32245332	-0.41316664	0.21871571	-0.56440747	-0.26689678	-0.25214675	-0.1796937	-0.73192537	-0.6127653	0.12290434	-0.21442108	-0.43266782	-0.25578254	-0.6258638	0.29583222	-0.012262465	0.37095177	0.26230073	0.10123525	0.35561022	-0.8854473	0.8211571	-0.121337295	0.3761748	0.062330406	-0.17876248	0.25354725	0.2741975	-0.41478318	0.80480933	-0.3609814	-0.10463602	-0.9997826	-0.038945843	-0.5379232	0.6924611	-0.1926297	0.23715635	-0.27627698	-0.042540044	-0.07934359	-0.40303063	-0.05048381	0.2346098	-0.1100065	-0.62230587	-0.8129847	-0.9558238	0.24531849	0.5149624	-0.31429023	-0.58160263	0.111940086	-0.5385453	0.10246193	0.725352	-0.20023426	0.44302732	0.16498044	-0.08592059	0.5835541	-0.1881751	-0.57368577	0.9097659	0.2073277	0.14466283	-0.54833543	0.51108867	-0.4792969	-0.24523	0.7117645	0.16936132	-0.04642774	0.521467	-0.97679675	-0.52497905	0.70852125	0.053930182	-0.006347544	-0.6175134	0.48059073	0.29435602	-0.20030622	0.27627853	0.38955173	0.093346834	-0.43329772	0.34403482	-0.46762404	-0.10673345	-0.19897956	0.6799148	0.28197026	-0.46531317	0.48253363	0.4421218	0.23674312	-0.37012437	-0.3095897	-0.11398208	0.2975657	-0.014196674	-0.10850855	0.14154223	0.9987777	0.13111824	-0.11555578	-0.16837135	0.52501947	-0.3514329	0.49590644	-0.5753985	-0.25649485	0.51046723	0.9612528	-0.5582492	0.47051784	-0.022870766	-0.034649763	0.9999786	-0.9957783	0.11777109	-0.021420438	0.06707111	-0.055309135	-0.68341595	-0.3076764	-0.5679379	-0.69243884	-0.8377142	0.11788155	0.83670956	-0.24132183	-0.35362017	0.29357386	-0.17520697	-0.24305247	0.76592684	0.2878629	-0.024269532	-0.09323648	-0.9732527	-0.39595038	0.43129945	0.25764194	0.48221982	-0.79513955	-0.11758076	0.46851104	0.32184505	-0.9814406	-0.1058262	0.3660495	-0.3775206	-0.2241614	0.26620677	0.14622699	-0.10403232	0.8459274	0.19280353	0.24687825	-0.1007166	0.124057464	-0.08930048	0.6077	0.1675386	0.47326973	-0.07399648	-0.46483082	0.1987185	0.14593177	-0.15170953	-0.68187064	-0.97933835	0.29839167	-0.74760485	0.114530005	0.56171733	-0.2680904	0.31187272	0.9998805	0.14606726	-0.5852053	-0.028297955	-0.20513135	0.044846423	0.28923133	-0.93338984	0.40767315	-0.04001087	-0.77958727	-0.25021172	-0.3293254	-0.3286844	-0.5292634	0.19512816	0.50278944	-0.5135676	0.99572974	-0.3592759	0.09310107	-0.54383445	-0.41837528	-0.064100586	-0.010391902	-0.37735704	0.008086705	-0.3534256	-0.014207255	0.4182216	-0.005972452	0.06656405	0.6467168	-0.47758815	-0.6097426	0.31895098	0.24007432	0.5629734	-0.28219867	-0.27406985	-0.39553058	-0.23258395	-0.28029355	-0.33605698	0.20960663	0.11549954	0.21629007	0.13953972	-0.6516263	-0.3192863	-0.57892543	0.30672553	-0.31594235	0.15298654	0.5152381	0.2954317	0.47644657	0.09206448	0.22743794	0.99996954	0.2214704	-0.938916	-0.14434467	0.9999461	-0.16248822	-0.4196726	-0.9989671	0.006116589	-0.46724516	0.33930337	0.08544745	0.16524236	0.58822876	0.6768835	-0.61870325	0.17376542	0.7080309	-0.6448344	0.34137964	0.047211647	-0.3235421	-0.9999846	0.99673736	-0.38048708	0.33121818	-0.12940413	-0.45702472	-0.013493977	-0.72838044	-0.8317439	-0.33205843	-0.42404258	0.6010083	-0.9271063	0.003482033	-0.10049546	0.09543804	0.451493	0.22423054	0.33254996	0.3195804	-0.99988735	0.05276084	-0.26513118	-0.3800801	-0.63096166	0.09892311	-0.98719084	0.49416992	0.16996554	0.18300088	-0.42086345	0.25926322	-0.28660607	0.98501396	0.19975571	0.8873807	0.48269174	-0.13429183	-0.21776138	-0.603342	0.5061729	-0.20790233	-0.3415535	-0.7108052	0.91434455	-0.028161801	0.39225343	0.29425722	-0.32956016	-0.17826393	0.29007602	0.7056906	-0.4939947	0.20962153	-0.74314934	0.9894228	0.014163994	0.15707222	-0.14784193	-0.28251037	0.3570346	0.9999308	0.5946498	0.5056683	0.25763917	-0.09683266	-0.19227761	-0.3379154	-0.9728674	0.40976855	-0.14636452	0.17258911	0.50319725	-0.4314372
363	0	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2[nH]1	-0.5728178	0.17776094	-0.50378007	0.2730603	0.13903436	-0.114044696	0.5828493	-0.35204688	0.69650507	0.7778556	0.57478964	-0.2698448	-0.4438954	0.5700244	0.48366207	0.7673945	-0.13374835	0.26429892	-0.5989369	0.27383086	0.7683207	0.41250876	0.050311882	-0.06359739	-0.26054913	-0.36000517	0.66811156	-0.37646627	0.07533347	0.45610264	0.2245156	-0.002968511	0.2827841	-0.5373504	0.25259423	-0.37750426	-0.70810634	-0.2899463	0.9994698	0.8389652	0.97326547	-0.009830803	0.11116009	0.013476442	0.04719205	0.9217472	0.28222018	-0.37269527	-0.9689899	-0.4419175	-0.5935718	0.8110477	0.82147115	-0.036052465	0.8798371	-0.8000496	0.5601136	-0.96704936	0.23402807	-0.64268285	0.2134787	-0.37317783	0.37961653	0.3725724	0.5989679	-0.24411589	0.5850759	-0.56303096	0.035741784	-0.8617121	-0.9993628	-0.99788254	0.14239393	-0.6213662	-0.9034813	0.41513103	-0.63056153	-0.16880861	0.7991122	-0.99910975	-0.9751553	-0.535965	-0.97047645	-0.66782284	0.15460177	0.2301833	0.41882247	0.13700128	0.62519366	-0.5300852	0.30740568	0.13618149	-0.28855407	0.46695533	0.99997556	-0.4237595	-0.99202186	0.57724667	-0.36079177	0.51539516	-0.062307514	0.37501076	0.4094199	0.97065794	-0.99971014	-0.8991371	-0.53411275	-0.28078285	-1	-0.119683824	-0.7628777	-0.6143077	-0.5428044	-0.35953376	0.25034383	-0.3264747	0.4155418	0.3328632	0.40554145	0.36514872	0.71828866	-0.477705	-0.7603806	0.010955254	0.18869969	-0.2838294	-0.87007314	0.47280502	0.42553386	0.93496037	-0.110072315	-0.8158714	0.6535059	0.6581865	-0.21435086	0.27001068	-0.90884095	0.68783486	0.010071563	0.86569256	-0.9999922	0.19245534	-0.9878322	-0.34997234	0.47253138	-0.37310767	0.04542113	-0.5075924	-0.9995757	0.53811705	-0.34788346	0.7723792	-0.66779304	0.036807746	0.46036473	0.82896876	-0.23063393	-0.99578357	0.2705609	0.8631982	0.6509244	-0.33528578	0.5983269	-0.33336532	-0.344295	-0.060191616	-0.54699767	-0.48106033	-0.06618785	-0.5282516	0.002673828	0.05162067	-0.016605997	-0.51015484	0.58243394	0.8300507	0.33863616	0.22289795	0.39326054	0.13324106	0.32806435	-0.99994713	-0.37703758	-0.030648077	0.9733409	-0.56591606	0.26874945	0.36582872	0.06872302	0.4866254	0.9088083	-0.26255172	0.08882935	-0.01562984	0.00348995	-0.33439046	0.48981676	0.9178921	-0.69683474	-0.11964669	0.50791746	-0.71956104	-0.34597504	-0.26747018	0.22472894	-0.00141096	-0.2286344	0.4310839	0.66433734	-0.9997114	-0.37326336	0.1376338	-0.34662855	0.51022553	0.61890066	-0.22744186	-0.2663669	0.14367884	0.08103999	-0.688921	-0.4893448	-0.40363896	0.5754655	0.8380347	0.9999985	-0.218692	-0.10107056	0.46584064	0.34189838	-0.42247835	-0.16780244	-0.52768713	-0.23230408	0.6077239	-0.4803678	-0.14234595	-0.34463742	0.16876872	-0.21012081	0.5967915	-0.9545829	-0.3945165	0.74401736	-0.8088046	-0.3724905	-0.49708548	-0.2510731	0.8098128	0.53764147	-0.24300016	-0.001745648	-0.7819885	-0.31220788	0.6153408	-0.40280837	0.03766257	-0.1052043	0.35884258	-0.60545963	-0.64175326	-0.50468475	0.38384268	0.7786875	0.13198586	0.24485089	0.8696216	0.14726868	0.35492152	-0.8128076	-0.27257365	-0.085012674	0.99517655	-0.18598989	-0.37800074	-0.5383487	0.8865266	0.3313001	0.7801511	0.7348725	0.7531864	-0.41432875	0.6645598	-0.49396944	-0.5023634	0.67304957	-0.76763386	-0.5983218	-0.99795413	-0.99999243	0.59981364	0.46604133	-0.8662506	-0.1583471	-0.1159473	0.70610344	0.06572365	0.99999505	0.8011556	-0.22009943	-0.27966255	-0.03610305	-0.78263324	-0.8291819	0.3860572	0.9699313	0.49998903	-0.99960214	0.48209834	0.91442156	-0.33402005	-0.8370391	0.4789349	-0.3236094	-0.7869434	-0.98707825	-0.65350586	-0.47373253	-0.0868082	1	-0.020241981	-0.4154469	0.07122918	-0.11533775	-0.120178714	-0.78567165	-0.092636764	0.5098594	0.3643574	0.49223334	-0.38762447	0.5773011	-0.5295212	-0.41629648	0.40950805	-0.14815235	-0.9782415	0.6018286	-0.42395538	0.001331127	0.09810621	0.47609222	-0.66835916	-0.7299136	-0.16690135	0.37590525	-0.43510094	0.9291745	-0.12541041	0.42845434	-0.9948298	0.7641487	-0.14449666	0.5462752	-0.030350903	-0.719513	0.6431476	-0.1636803	0.9918892	-0.124556124	0.90384024	-0.049754024	0.26825163	0.789424	0.28555432	0.4918723	-0.8986095	-0.46197766	0.31994554	0.3463333	0.71902573	-0.15639175	-0.027071659	-0.07340832	-0.95778716	0.7564683	-0.9949077	0.14507216	0.43424383	0.0739276	0.15006655	0.7810006	-0.17171721	0.6937499	0.17612875	0.23423207	0.15930471	0.76688737	0.39433524	-0.2929666	0.5036636	-0.49259818	-0.47737443	0.010638887	0.71879345	0.5818151	-0.45593435	-0.041101072	0.81126565	-0.92894214	0.9582768	0.9999102	0.050242756	0.26669434	-0.40544695	-0.049087312	-0.41935793	0.4137672	-0.57130015	-0.7119857	0.66705793	-0.22254956	-0.6383288	-0.16098063	-0.24761695	0.040932175	-0.7556036	-1	0.5406548	-0.9890698	-0.5547527	0.9986206	-0.3106277	-0.350394	0.98617846	-0.5253822	-0.2702803	-0.3942961	0.2749604	-0.06238006	0.42733118	0.009277931	0.24290892	-0.57740766	-0.6073565	0.68343455	0.24094793	0.15754443	0.039526764	-0.9989688	0.9999995	0.9384188	-0.46938562	-0.217105	0.040256653	0.1448127	-0.36113194	-0.060767088	-0.36177924	-0.46872693	-0.035132933	0.14734854	0.7061712	0.57728106	-0.23979901	0.80338335	0.6584516	0.098718576	0.9866765	-0.99018955	-0.7361678	-0.8130453	0.48689064	-0.06583996	0.25838104	0.9985407	0.63524044	-0.37725687	-0.15901716	0.026350476	0.486067	-0.47746858	0.96680033	0.32513684	-0.5147699	-0.062165458	-0.90258867	-0.51282066	-0.89252394	0.33380115	0.6230761	-0.4925513	0.9784551	-0.93339974	-0.17804623	-0.033550255	-0.09141463	-0.47950658	0.54850894	0.6617973	0.80209756	-0.2842558	-0.20459259	-0.5653537	0.9996332	0.7129898	-0.16094734	0.28327814	0.05318146	0.00296137	0.9999932	-0.3688589	-0.9075202	0.33581337	-0.7159774	0.36532018	-0.39608636	-0.9994113	-0.44451898	-0.9472427	-0.6584415	-0.47940445	0.020024743
364	0	CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	0.4918998	0.15688656	-0.32604107	0.5231234	0.15633743	-0.8924133	-0.7547691	-0.2570099	0.001311555	-0.080805786	0.59251404	0.7155128	-0.23910207	0.86784196	0.13867071	-0.600282	0.3120388	0.043803133	0.45772123	0.38236606	0.543948	0.64933634	-0.3289216	0.033491563	-0.82049996	-0.4806455	0.32275748	0.41295546	-0.6192302	-0.4191578	-0.43150404	0.35411918	0.39344087	-0.3934465	0.40127608	-0.081449345	0.045397747	0.5720271	0.9996371	0.36587283	-0.4425025	-0.031026037	-0.18615171	-0.31273904	-0.5016586	0.61930853	0.3504778	0.48219496	0.788707	-0.024348034	0.5691357	0.044824038	-0.8977748	0.49520513	0.02334766	0.512288	-0.68376595	-0.9045518	0.21568613	-0.05917012	-0.37615737	0.5780923	0.5482356	0.36862344	-0.29259098	0.8042302	0.8762589	0.14984585	-0.58495307	0.40332314	-0.69900393	-0.96442807	0.22933456	-0.7624814	-0.3092695	0.18518142	-0.46716687	-0.2660121	-0.01636131	-0.9999446	0.34454176	-0.62951595	-0.8925012	-0.38645837	-0.17480251	-0.65766805	0.377714	0.1646256	-0.53470415	0.11348519	-0.6866199	-0.2857143	-0.14322224	-0.22100085	0.99989545	0.1487696	-0.29542437	-0.66782206	-0.167456	-0.4878394	0.16619577	-0.44115993	0.28248832	0.78076273	-0.9990718	-0.8857427	-0.003211818	-0.1143086	-0.866409	0.4705101	-0.20894364	-0.47167125	-0.59498006	-0.6849296	0.42484346	0.051152054	0.57756525	0.15690863	0.9423132	-0.38967878	-0.005794057	0.3295244	-0.32249197	-0.6800485	-0.57925224	-0.018353717	-0.4739112	-0.6627019	-0.122838564	0.9985032	0.1507126	-0.19337346	0.78283	0.41724253	0.10704373	-0.9865422	0.32511327	-0.014464113	-0.62448776	0.29645124	-0.9996442	0.24010552	-0.6356658	-0.28973123	0.01660429	-0.4341429	-0.71341586	-0.104360886	-0.99087834	0.16903321	-0.6280035	0.16448116	-0.33749104	-0.7493253	-0.71232164	-0.058216754	-0.37811732	-0.89032435	-0.88683724	0.24917416	-0.22578742	0.2920457	-0.2865662	0.198541	-0.784505	0.3210981	-0.5889883	-0.3119052	0.3718372	0.56232595	-0.49713716	0.26935774	-0.24843222	0.000804188	0.79979616	-0.8688171	-0.6357771	-0.26146585	-0.38402098	-0.27374366	0.15947844	-0.99968714	-0.32193142	-0.78916466	0.69849426	-0.006054652	0.23454545	-0.081850596	-0.1967213	-0.6032229	-0.02604956	0.08535612	-0.5001839	-0.21736254	-0.065723576	-0.5527067	0.73809755	0.014373316	0.20893225	0.26997212	0.12134939	-0.60589665	-0.44481954	-0.405455	-0.034916207	-0.35953537	0.5880961	-0.26872495	-0.22871329	-0.9998539	0.40960822	-0.5214067	-0.42094967	0.22918768	-0.051543333	0.73472875	0.5879214	0.38680893	-0.2562208	-0.776247	0.035348274	-0.5492817	-0.22402191	0.3734783	-0.94564885	0.04459667	-0.5493858	0.63421226	-0.34590936	-0.13284624	-0.6824839	0.021064756	0.18694222	-0.33035287	-0.24330015	0.08785787	0.104755476	0.38152444	0.4868924	-0.5299556	0.7102431	0.01536674	0.7736087	-0.76587725	0.5321906	-0.10610362	-0.07777445	0.059727296	0.73053944	-0.46344614	0.11625602	-0.9758837	0.49433318	0.42933196	-0.37522936	-0.07750201	-0.608305	-0.24019219	-0.50071055	-0.5077347	0.009756438	-0.41550535	0.18254744	-0.26825362	0.025559561	-0.20460643	0.23038371	-0.009483369	0.8937554	-0.4350507	0.4409717	0.9896323	0.20927644	0.20031771	-0.29969904	0.000558831	-0.16897415	0.03342464	-0.23921406	-0.23220205	0.42525187	0.9699023	-0.85128856	0.28266487	-0.635017	-0.32981062	-0.12693453	0.08634838	-0.8718843	-0.14518149	-0.60639244	0.09289767	0.19829829	0.74048746	0.15747227	-0.32128292	0.9998905	-0.9323619	-0.19152696	0.04605785	0.42600876	0.4898571	-0.8436015	0.52978307	-0.065235145	-0.29712534	-0.9944865	0.045450184	0.7358117	-0.002491511	0.55873454	0.116977654	-0.20705554	-0.7212194	-0.9750176	-0.022404604	0.13427368	0.61017257	-0.9632458	0.24023713	0.27687964	-0.55889434	0.64932674	-0.8035587	0.20307681	0.07940427	0.34879583	-0.79587096	-0.22538388	-0.63060683	-0.002048493	-0.6454187	0.15691845	0.13400163	0.07987828	-0.33122724	0.05848546	-0.009654147	-0.03973193	0.40402904	0.64951974	0.6786157	-0.8227049	0.30565602	0.008297036	0.2934984	0.6233962	0.6138731	0.030779686	-0.9610202	-0.47362015	0.58065504	0.63368803	-0.26842827	-0.46632102	0.27959186	0.106983006	0.99971837	0.5952887	0.4899982	-0.35498807	0.34152305	0.33574972	-0.37006816	-0.75823265	0.03155074	0.2634107	-0.56520236	0.34935027	-0.25353885	0.3236351	0.1123263	0.50735337	-0.39374244	-0.47193852	0.99562246	-0.01942738	-0.28544205	0.3910228	0.3423249	0.043281652	-0.5958798	-0.5260115	-0.6651606	0.24414527	-0.37960628	0.29047307	-0.20373046	-0.6868253	0.69500995	-0.45922175	-0.19126226	0.3781707	-0.38997155	0.6505448	-0.57336956	0.43444932	0.15287781	-0.19906297	0.3559956	0.99007726	0.015234166	0.44945592	-0.2838057	0.6098682	-0.5541752	-0.45152688	0.9737496	0.094630174	-0.35422844	-0.049525186	0.46027517	0.5157514	0.7688066	0.42171553	0.32531247	0.999925	-0.28527862	-0.98861057	0.22915857	0.9998399	-0.6982023	-0.26356453	-0.9988577	-0.20254791	-0.77280706	0.74268425	-0.076679975	-0.23505576	-0.45900717	-0.005381744	-0.2519739	0.25583443	0.2270986	-0.19641963	-0.06558436	-0.14296956	-0.18419172	-0.9999556	0.99504906	0.36494815	0.10686023	-0.37182775	-0.4894956	-0.83536696	-0.35287103	-0.71108955	-0.74091893	-0.6788278	0.5780507	-0.95607483	0.34159237	0.17421557	0.322055	0.4491537	0.87285984	0.4509554	0.93385637	-0.99943334	-0.28938988	0.3782715	-0.056914646	-0.26174235	-0.11808902	0.6877776	0.7327383	0.050530523	0.090367936	-0.20933332	0.5170083	0.6832677	0.97575843	-0.56533664	0.77367586	0.17901577	-0.15836677	-0.82078046	0.40872797	-0.44967204	-0.24892677	-0.36827633	0.36911017	-0.68339616	0.5435479	0.22851802	-0.044923484	-0.6480797	0.059923757	0.17964162	0.7059036	-0.77875304	0.20891339	-0.19703965	0.9972668	0.4630697	0.47445935	-0.5691828	0.39413902	-0.47895804	0.99956864	0.3670054	-0.13588932	-0.67999727	-0.039679017	-0.62958854	-0.4223815	-0.99422437	-0.25570706	-0.32689935	0.28259867	0.57497174	-0.19214034
365	0	COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1	0.27118787	0.42496642	-0.5637898	0.05285341	0.052998543	0.1791716	-0.03041109	-0.59026855	-0.2569396	0.11768745	0.5160942	0.057122827	0.56986564	0.7231445	0.04753728	0.10996791	-0.6775537	0.073738724	-0.6229724	0.5277397	0.4519886	0.27895015	0.396776	0.5431381	-0.65490484	-0.6877974	-0.084003754	-0.013584273	-0.7720699	-0.069418326	-0.22165966	-0.4622112	-0.5115681	0.03172266	-0.032364607	0.08844185	-0.49491394	0.01174931	0.99984103	0.7919619	0.74392843	0.29725072	-0.6364979	0.14282276	0.16714045	0.9255451	-0.21833152	0.14368667	-0.35022414	0.44300967	-0.33304808	0.14912972	-0.58168465	0.005636785	0.7970114	0.4016728	-0.36251798	-0.9764421	-0.05342547	0.45363477	0.29611263	0.49980143	-0.02472601	-0.47542045	-0.47434002	0.5150026	0.21594147	-0.345713	0.390186	-0.060774103	-0.98001856	-0.99985105	0.5197681	-0.3851037	-0.67149365	0.56551886	-0.027654799	-0.6475334	0.2038723	-0.9993207	-0.36492914	0.07469595	-0.9113423	0.5808699	0.026931416	0.7337013	0.9349848	-0.2842306	-0.28318644	0.37553105	-0.1887566	-0.14733444	0.28144485	-0.2981663	0.9999958	0.14987278	-0.9456021	0.14553246	-0.85263985	0.41931057	-0.5092589	0.008011117	0.6270012	0.57558906	-0.99978554	-0.9778783	0.24957375	-0.036819965	-0.99999726	-0.14037892	0.20668876	0.2860496	-0.7582183	0.5986816	-0.001172285	-0.5138101	-0.31915677	-0.12078182	0.69413984	0.11726629	-0.8285336	-0.23245595	0.016098421	0.5503517	-0.20054854	-0.2032791	-0.39813963	0.5777397	-0.1094557	0.5737879	0.18759549	-0.2800693	-0.6170324	-0.6534248	-0.5226188	-0.9922436	-0.39561728	-0.25965956	-0.75667536	0.8725199	-0.9999897	-0.089274526	-0.9819926	0.21413514	0.4384537	-0.7119201	-0.1501211	-0.37816086	-0.99947315	-0.08904558	-0.12864655	0.9792494	-0.4306949	-0.77142984	-0.49693584	0.6104256	0.32351977	-0.9924065	-0.8299278	0.87632275	0.3453826	0.5666991	0.22852495	-0.031418737	-0.33364195	-0.1056192	-0.5303935	0.057944477	-0.53084666	0.018758439	-0.30139095	-0.13534008	0.4253319	-0.53769296	0.2716919	0.15922277	-0.44673806	-0.0436696	-0.73016936	-0.27922943	-0.07789695	-0.9999628	-0.26298177	-0.27885813	0.9714692	0.3732613	0.20683993	0.24489385	-0.14821881	0.37225237	0.878167	-0.19468828	-0.574037	-0.42834422	-0.22659673	-0.19149643	-0.6041124	-0.87039536	-0.6612169	0.25494948	0.22876315	0.3461272	0.088583924	0.039833017	-0.08753341	-0.19801056	0.8052305	0.86643153	0.62383676	-0.9999015	-0.17300117	-0.5360287	0.35810894	-0.22695002	0.58574766	-0.100354224	-0.5348903	0.08651786	-0.23982315	0.11116073	-0.8858671	-0.33386266	0.5868669	0.4462256	-0.9306703	0.17007609	0.3050005	0.5927984	-0.6009077	-0.23704746	-0.59288895	-0.15892218	0.27269518	0.5088872	-0.6408283	0.4915064	-0.511962	-0.3643037	-0.69063634	-0.112221524	0.77372944	-0.29700324	0.289207	-0.24184649	0.000170482	0.40304914	-0.018745437	0.010134946	0.084502205	-0.38800392	0.89107364	-0.9748348	-0.34362364	-0.12239684	-0.04977776	-0.48606026	0.08977561	-0.08703981	0.2026233	0.06490246	-0.07297557	0.04935868	0.46760103	0.5168261	-0.07865419	-0.12333026	-0.7242769	0.2508625	0.6595251	-0.35077292	0.84340614	0.9992312	0.6922271	-0.008547804	-0.04369922	-0.90910536	0.1460616	0.96082973	0.5682483	0.81880856	0.27038732	0.79606056	-0.64422566	-0.8884242	-0.39234516	-0.2794814	0.09934372	-0.9625905	-0.99996597	0.010991502	0.75794774	-0.70640063	-0.05920134	0.82949525	0.7942677	-0.24229066	0.99994063	0.6315449	0.2520327	-0.4803691	-0.58533573	0.7365668	-0.85309255	-0.05469178	0.44327313	0.7929971	-0.9994311	-0.008120651	0.786881	-0.72073925	0.23468432	0.5905428	0.31737575	0.27230528	-0.99076176	0.37534484	0.517571	-0.32416394	0.9999871	0.43773547	0.8223451	-0.22805648	0.059084326	0.08866207	0.5481203	-0.319243	0.06915109	0.33496234	0.021265723	-0.28793383	0.12955377	-0.5366254	0.49201757	-0.12138707	0.5553656	-0.98841095	-0.45451126	0.21214879	-0.5502196	-0.25158745	0.43252325	0.01180802	-0.700591	-0.012812345	0.3402254	-0.785957	0.24991953	-0.3831592	0.7475352	-0.9926447	0.618544	0.542749	-0.070026144	-0.36188275	0.5236559	-0.7622948	-0.61315835	0.99826276	0.7753955	0.5092994	-0.020040013	0.23145254	-0.34389028	0.85012096	0.6136278	-0.7123107	0.37577674	0.16731684	-0.5730578	-0.48302698	0.59647906	-0.7177583	0.62469333	-0.91558343	-0.55512995	0.9827146	-0.5774268	-0.46314436	-0.24613096	0.21786584	0.6356654	0.64724714	-0.8119778	0.42969745	-0.17205065	0.25376484	-0.33127716	0.100699924	0.20161548	0.45962197	0.61599606	-0.48366368	0.6323937	0.018483214	0.48597205	-0.9258527	0.39661735	0.78521717	-0.5017186	0.8750466	0.99986815	-0.30675885	0.52743924	-0.40665302	0.31289718	0.28062665	0.5702689	0.57429326	0.44097856	-0.62839365	-0.36264244	-0.49754855	-0.1807772	0.031490423	0.18883823	-0.65400046	-0.97661483	0.24527888	-0.904075	0.1830123	0.99880666	0.4512039	-0.14124897	-0.7840938	-0.42824078	-0.83681583	0.1453625	0.057625756	-0.25097317	0.019672375	0.2678919	0.9027611	-0.8523933	0.37741083	-0.57365197	-0.5812199	-0.11702658	0.385234	-0.99946356	0.99728185	0.7337091	-0.37337142	-0.8437959	-0.67736804	0.62426704	0.7124989	-0.926532	-0.6375349	0.38024175	0.75399065	-0.56376755	0.03510775	-0.37376866	0.64363205	-0.5905044	0.6463805	-0.41456625	0.9617018	-0.9939005	-0.47683552	0.62016577	0.12960654	-0.08836398	0.22455049	0.99778366	0.82421803	0.9310444	0.6942613	-0.021912782	0.04959341	-0.43992674	0.9607806	0.09031532	0.22459161	0.38476375	-0.82029796	-0.5016209	0.35113862	0.060112324	-0.62371844	-0.48290443	0.98356724	-0.86707675	-0.20467821	0.21691824	0.6258057	-0.18047479	0.49049488	-0.21668722	0.84467816	-0.3700207	-0.26893246	0.33835778	0.9995924	-0.40501532	0.2439878	-0.6829748	-0.018205335	-0.7705592	0.9999564	-0.08051001	-0.12337491	0.47778502	-0.15598254	0.17833878	-0.53145576	-0.9994805	0.57342196	-0.92848897	-0.5691587	0.29131746	-0.1849199
366	0	O=C(Nc1ccccc1)Nc1ccnc(Cl)c1	-0.85402775	-0.3553686	-0.1834693	0.47868577	0.41405106	-0.61477613	-0.7551281	0.1736581	0.4168047	0.04551882	-0.7129509	-0.37611797	-0.029885314	-0.5924081	0.23920561	0.043424707	-0.058587257	-0.09232972	0.34220523	0.6279715	0.6399047	-0.8207425	-0.17727003	0.17104813	0.21926531	0.8206846	0.031764854	0.31801733	0.19275615	-0.15217881	-0.1678515	0.34098807	0.043919522	-0.13359602	0.39859775	-0.3593352	0.4820197	0.46539456	0.9192381	-0.91968507	-0.98488593	0.013992979	-0.4209317	0.063636415	0.27842864	-0.97888994	-0.08207952	0.15033405	0.39796248	-0.22546892	0.5990411	0.2926792	0.44026375	-0.46015698	-0.63753235	0.752377	-0.63176	0.85942644	-0.10671749	0.44812587	0.36057854	-0.6343446	0.19490093	0.017617153	-0.011334657	0.1721696	-0.47272405	0.2523116	0.011843238	0.15912452	-0.92689735	-0.9514606	0.31650636	-0.42542776	0.5521588	-0.28821468	-0.20133328	-0.38562152	-0.08705274	-0.9982883	-0.6190248	0.11491079	-0.7351653	0.2662359	0.23266421	-0.7335103	0.10070124	0.14434035	-0.7733552	-0.1034778	-0.63048667	0.29577324	-0.16552873	0.42577508	0.98884714	-0.38001475	-0.044985775	0.22338626	-0.009493453	-0.31723192	0.014194197	-0.03247501	0.47941893	0.9791651	-0.30417258	-0.42909262	0.21404292	0.6600882	-0.9991649	-0.2489793	-0.3793068	-0.26858088	0.14513586	0.18912628	-0.16087359	0.15893921	0.068712525	0.7444756	0.9983714	-0.17854095	-0.011756495	0.34296942	-0.6253099	0.47669885	-0.6000807	-0.6789069	-0.37568372	0.17800796	-0.12245426	0.99970925	0.38951737	0.32315466	-0.07149024	-0.04127182	-0.2922728	-0.9830756	0.34535083	0.64503753	-0.6572625	0.5622275	-0.999954	-0.33555079	0.95623606	-0.3867137	0.19760886	-0.3113121	0.69739825	-0.124413915	0.82416964	-0.58589584	-0.5347455	0.9789391	0.4093817	0.32449934	-0.4702566	0.3577711	-0.47654244	0.9856901	-0.25219175	0.9746059	-0.97398853	-0.5439452	-0.36131233	-0.038958494	-0.11321269	0.21738584	-0.21929742	-0.3448418	-0.6647032	0.09804419	0.35647115	0.42092875	0.65456194	0.30368716	-0.13610949	-0.89729327	-0.6915692	0.1795561	-0.1658879	-0.039073065	-0.19530228	-0.30293214	0.13760695	0.5354594	-0.8761663	0.33958188	0.5600464	-0.4454881	0.020286411	-0.0000802	0.2941664	0.049923975	0.18085921	0.11771562	0.08555943	0.08350185	0.43316802	-0.7852799	0.63868743	-0.013393672	0.6442338	-0.33071712	-0.45740396	-0.09021048	-0.05853443	-0.32546964	0.1340362	0.25820088	0.58185494	-0.99742866	0.192909	0.47593603	0.32998082	-0.32188487	0.24473661	-0.41497675	-0.55708694	-0.043717608	-0.3697551	0.13710244	0.12252237	-0.059324704	-0.4532784	0.2717266	-0.9620826	0.3764637	-0.11806969	-0.57088196	0.034124378	0.45812836	-0.044320405	0.12672484	-0.312083	-0.74697477	-0.11541158	0.064631775	-0.23760217	0.2619455	-0.36624122	-0.005664995	0.8497414	0.25616345	-0.53289974	-0.34891078	0.6209665	0.03145686	0.41729134	-0.3651663	0.30445388	-0.13315772	0.8794792	-0.97913706	0.11709709	0.54346454	0.13853592	0.51058596	-0.08488744	0.5887119	0.6390265	-0.39241996	-0.31686598	0.64398295	-0.08810708	-0.110242374	0.73766416	0.27506953	0.022341123	0.20530212	-0.60227126	-0.091413766	-0.31672102	0.19323602	0.40100077	0.06477378	0.45646635	0.87394416	0.79393137	0.53926504	0.34460345	0.48722762	0.22817612	0.99964434	-0.4329011	0.5193886	-0.003896794	0.12481526	-0.2322532	-0.7659418	-0.9801942	0.19416675	0.27624264	0.99815536	0.12038557	-0.59074867	0.031339172	0.5842489	0.99996936	-0.980392	0.14050613	0.07612686	-0.56438595	-0.30532336	-0.38663748	-0.615441	0.53932023	0.007030013	0.8107655	0.39846742	0.8021671	0.04301147	-0.13644518	-0.08258559	-0.45728245	0.1620659	0.8081071	-0.5980931	0.19902511	-0.3755553	0.95513076	0.16514543	-0.30137834	0.6351396	0.23083916	-0.7578376	-0.77462643	-0.107103065	0.55247355	-0.9697423	-0.16856334	0.1536172	-0.61218995	-0.27817366	-0.4863968	-0.5228697	-0.35636118	0.3103306	0.23828252	0.26407704	-0.37147105	0.34424984	0.35733986	-0.18088852	-0.14497754	0.75035876	0.57152975	-0.06905101	-0.60793227	-0.2264337	-0.472317	0.16285627	-0.9956944	0.006428794	-0.5130657	-0.28081936	-0.0804522	-0.022201912	-0.1960179	0.99968237	-0.5302631	-0.5574097	-0.189864	-0.36071217	0.469932	-0.26863125	-0.71932364	-0.5195902	0.27407134	-0.64980495	-0.1994073	0.3617808	-0.33280596	-0.28711963	-0.15147497	0.7217267	0.006386045	0.99886864	-0.19216022	-0.46416834	-0.28110117	-0.5359527	-0.44140217	-0.3694246	-0.10240922	-0.5757019	0.47070357	0.389966	-0.17172042	0.30740717	0.13403791	0.68974876	-0.15121092	0.35151908	-0.50200677	0.38912934	0.026729064	0.122356124	0.23172192	0.29196984	-0.54936427	-0.009109352	-0.18980412	0.13425602	0.33023122	0.31417605	-0.6344705	-0.19069034	0.33579996	-0.68297577	0.50548375	-0.43403223	0.7767574	0.522821	0.14322929	0.24413599	-0.017644212	0.14692467	0.9420737	0.5548537	-0.9669433	0.34221345	0.99934506	-0.3826031	0.18126206	-0.96293503	-0.410101	-0.3382289	0.078617774	0.047329076	-0.6229548	0.5000547	0.25935182	-0.16878293	0.5828236	0.37616724	-0.17025216	0.42311975	0.42732427	-0.17961033	-0.99998814	0.97414875	-0.9210483	0.003715744	0.008812192	0.08879029	-0.51653147	-0.20011428	-0.779413	0.03777224	0.59885615	-0.28915033	-0.68356127	-0.20838775	-0.14429249	0.1967393	0.3355038	-0.28960186	-0.3913587	-0.8905163	-0.9999522	-0.33475995	-0.17010796	0.01133498	-0.36138445	-0.40344766	-0.9721869	-0.05421366	0.5286906	0.5199648	0.08516708	-0.3369306	-0.100616366	0.9430997	0.14303146	0.86255383	0.023305312	0.5343238	0.27662703	-0.74761707	-0.17897482	-0.35492688	-0.46302667	-0.34619907	0.17297633	-0.3948524	0.08947748	0.014555503	-0.57182735	-0.35948196	0.28536996	0.49379444	0.123695426	-0.023705138	0.42029634	0.604608	-0.8050986	-0.16328801	-0.7254697	-0.66244626	0.053337194	0.99998295	0.5592905	0.3606569	0.39467433	0.001528396	-0.057476982	0.25558123	-0.8284555	0.64862406	-0.66292495	-0.5717698	-0.04480196	0.27546814
367	0	CCOP(=O)(SC(C)CC)N1CCSC1=O	0.94062454	-0.19350494	-0.5524198	-0.6275884	0.6894125	0.112671345	-0.80939585	0.006658258	0.34514123	0.32675716	-0.77992874	-0.16949126	-0.56410056	0.017107787	0.23354416	-0.62172085	-0.35568064	0.033598166	0.13568771	-0.5571484	0.5367197	0.3215096	-0.2860826	-0.11709038	-0.32473978	0.02319547	-0.68820274	0.003219973	0.122741014	-0.7073471	0.36417043	-0.17754053	-0.2110487	-0.50812644	-0.07934878	-0.074463814	0.836332	-0.4149542	0.97690517	-0.6000873	-0.95181406	-0.3166145	-0.7504669	0.9416288	-0.3488101	-0.94431525	0.3406066	-0.12745091	0.991999	0.48019588	0.30868274	0.37985802	0.30690455	-0.09677847	-0.78848034	0.24146803	-0.19246645	0.583103	0.03284096	-0.16045101	0.51375777	0.5877257	-0.35877478	0.44146398	-0.79164773	0.40083256	-0.38626954	0.11096788	0.12085638	-0.36243626	0.13976985	-0.9461014	-0.6300517	0.8179397	-0.2525667	-0.8836463	0.4772229	-0.24858545	-0.12181698	-0.99997926	-0.09401584	0.1333488	-0.6482901	0.2246379	0.27501354	-0.16293931	0.38709646	0.461164	0.005547559	0.14429258	-0.13739222	-0.2914588	0.17635769	-0.38847023	0.99778444	-0.6995511	-0.58995706	-0.003057549	-0.37738454	0.5994928	0.09524649	-0.31639206	0.6953235	-0.002288939	-0.6382129	-0.7970093	0.804796	0.1564254	0.98173577	0.40729493	0.38739276	0.56677175	-0.6797345	0.005380404	-0.019805955	-0.086079925	-0.2965298	0.35690603	0.9987871	-0.047161143	-0.30530173	0.30679142	0.44097394	0.4411335	-0.6317227	0.07396466	0.55252475	-0.102867976	0.15939021	0.997662	0.38370845	-0.36015725	-0.68954986	0.08260487	0.17087412	-0.99619067	-0.16719566	-0.10090645	-0.28397825	-0.605508	-0.9932753	-0.39375934	0.8686346	-0.28596482	-0.46170187	-0.14116602	-0.23887917	0.4189478	0.42506063	-0.124260604	0.3868873	-0.5745184	-0.23869306	-0.2547632	0.4062807	0.29092014	-0.098855056	0.98062307	-0.7729052	-0.9584426	-0.932664	-0.39433423	-0.17516918	0.34520674	-0.56092924	-0.09320372	0.58339465	-0.095058605	-0.21486579	0.66848075	0.106583655	0.028596258	-0.12628429	-0.34692055	-0.26758587	-0.7844174	0.5933415	0.54573244	-0.5139941	0.20777568	0.51955557	-0.9613426	0.07962	0.078672595	-0.099553764	-0.32549617	0.42918485	-0.11125703	-0.02281453	0.03167984	-0.5150969	-0.51376253	0.1359459	0.53546697	-0.13406928	-0.49628097	0.011994287	-0.7699133	0.3761124	0.001655788	0.27466765	-0.4926439	0.41919705	-0.47371227	-0.5624459	-0.068506554	-0.49550015	0.4352183	0.2957126	-0.99945277	0.1205371	0.6608294	-0.39419663	-0.027715815	0.4823036	0.34777963	-0.5272228	-0.017277999	-0.9406362	0.12523139	0.24324271	-0.016291704	-0.55541795	0.41119388	-0.9854618	0.2808695	-0.09361545	-0.06075301	-0.4449681	-0.050612807	-0.71961415	0.09520611	-0.58026373	-0.69119996	0.08970253	0.10651192	-0.14324844	-0.43878275	-0.5404153	-0.1853845	0.8468398	-0.024331817	0.30407944	0.5060667	-0.44674742	-0.4564916	0.44353166	-0.61269265	-0.12167517	-0.08069039	0.6512329	-0.9980338	-0.3571673	0.020383162	-0.6971014	-0.3165894	-0.4556466	0.6052954	-0.45523557	-0.19828482	-0.026230406	0.3028152	0.71507424	0.62215257	-0.011575046	-0.40697986	-0.15656728	0.22415712	0.9262045	0.33057523	-0.10236313	0.99567735	-0.5512588	0.5732985	0.26865426	-0.7136979	0.30148116	-0.15461384	-0.30378172	0.687624	0.4179137	0.9978107	-0.5261119	-0.3819851	-0.86828476	0.032012157	0.8805837	0.8527639	0.82256746	-0.85850245	0.026886472	0.99753374	-0.15704139	0.880523	0.7478781	-0.85387754	0.9978752	-0.9314763	0.09156393	0.27939096	-0.25741586	0.45729628	0.36333308	-0.07109881	-0.62640357	0.37582102	0.8122558	0.62162757	0.3173569	0.006628161	-0.023768974	0.35579884	0.14679918	-0.098185346	-0.3035073	0.048071053	0.27857873	-0.27541536	-0.99995893	0.49874103	0.027254242	0.041032743	0.29892492	-0.7410647	0.8447198	-0.5402425	-0.629509	-0.7403689	-0.4518227	-0.27577323	0.5785109	0.13845205	0.01020957	0.16688639	0.10319262	0.049362298	-0.41241089	0.15942292	-0.370459	-0.45081192	-0.21425444	0.41046485	-0.4208417	0.54132134	0.5024901	-0.8083335	-0.4040752	0.3981621	0.10515931	0.25434542	-0.9696541	-0.2046264	0.58472675	0.4626	0.069305025	0.53007966	-0.13922444	0.99970615	-0.6545183	0.13323458	0.32675278	-0.5403152	-0.3558031	-0.5099187	-0.10038866	-0.31538174	0.7614838	0.059862047	-0.27200198	0.65041536	0.47700408	0.49155593	0.1951234	0.19436695	0.015993014	1	0.03203849	0.21387911	-0.0881539	0.7180046	-0.3552822	0.49470028	-0.09417149	0.29523984	0.6795449	0.76716655	0.4040878	0.4660194	-0.5993555	-0.2157961	-0.6935731	-0.073873386	-0.000620892	-0.26980272	-0.37248874	-0.9167631	0.10160892	-0.7491377	0.35430408	-0.6757043	0.2749877	-0.28713664	0.63057214	0.2664878	0.008874956	0.4608908	-0.2151792	0.5161966	-0.18602584	-0.59436136	-0.6646574	0.39045006	0.6469417	0.38752598	0.18614382	-0.12818494	0.99999976	-0.23894498	-0.75767475	-0.551031	0.9979633	0.69172275	-0.7124982	-0.9999386	-0.40931582	-0.56445056	0.6229874	-0.20889062	-0.27958792	0.2124961	-0.7896456	0.4308721	0.33713666	0.31755975	-0.62844867	0.26427177	-0.12237645	-0.15484448	-0.9999344	-0.9973481	-0.9749565	0.29522002	0.2815504	0.024111453	0.009657161	0.687542	-0.58753693	0.7711411	0.6651454	0.346089	0.13153845	-0.07397266	0.00624072	-0.60637814	0.0313973	0.47607332	0.6839698	-0.8382892	-0.99972004	-0.23049344	0.5650306	0.30365756	-0.20799129	-0.70640564	-0.7501892	0.10544572	0.4234428	-0.19662948	0.007042749	-0.65635484	0.16705647	0.67998797	0.42904544	-0.1338757	-0.11484688	0.033207502	-0.20330478	0.35614198	-0.31536835	-0.09101556	-0.4032468	0.42294124	-0.99455035	-0.1862783	-0.40079975	-0.14580032	-0.31752747	-0.7883944	0.038007032	-0.2336303	-0.21049511	0.50772375	0.29309717	0.6208594	0.44589788	0.29053962	0.6204201	-0.14756718	-0.3712642	0.99988955	0.16730596	-0.46074596	0.067777075	0.12648366	0.19963239	0.5004463	-0.9629008	0.15409367	0.5573415	-0.4051621	-0.21504585	-0.006579482
368	0	N#Cc1ccc(N(CC(N)=O)CC(F)(F)F)cc1C(F)(F)F	-0.80728686	-0.17742535	-0.1255961	-0.8282476	-0.31868947	-0.21350864	0.20149934	-0.24175464	0.7063572	0.23030159	0.6144209	0.37063116	-0.18140675	0.93910676	0.5688221	-0.7269383	-0.32943904	0.17163156	0.113341376	-0.7331822	0.38188732	0.34606767	-0.3252988	0.41328987	0.8544969	0.667703	0.16360822	-0.5116909	0.341351	-0.44915387	-0.47983977	-0.1279169	0.38247138	0.30633792	-0.88349223	-0.17992304	0.3030955	0.78052664	0.9968721	0.29493755	-0.8993962	0.0369684	0.24723132	-0.5335048	0.48806387	-0.83066785	0.6220879	0.16977035	0.029036084	-0.51729184	0.037630927	0.19296756	-0.45309195	-0.7600747	-0.32818657	-0.16053808	-0.43851	-0.40999106	0.3183059	0.20565997	-0.61663204	0.88011396	0.35380986	-0.46787512	0.5652974	0.6094722	0.39204058	0.097849414	0.48041245	0.4780906	-0.92107517	-0.9877407	0.3755422	-0.10619743	0.5864695	-0.44874763	0.07206517	0.2485406	-0.7886665	-0.99820155	0.13379315	-0.5829333	-0.9124258	-0.5843853	-0.1758838	-0.42741042	0.18375616	0.619274	0.12420779	0.6715811	0.6169315	-0.21270838	0.60619015	-0.077218436	0.9994719	0.006841463	-0.05166734	0.5341844	0.3468988	0.56961495	-0.016819691	-0.77935094	-0.114591345	0.114985265	-0.96624887	-0.097122185	-0.2657418	-0.46750477	-0.9142971	-0.35679072	-0.41679913	0.38152605	-0.543864	-0.023738483	0.7741534	0.09237609	-0.33225474	-0.16928361	0.9976046	-0.4767613	0.028260639	0.49017307	0.054859407	0.11154478	-0.007269023	0.5468445	-0.6151196	-0.23621795	-0.2794485	0.9976385	0.23210718	0.11069872	0.56973946	-0.62540245	-0.56802547	-0.8104478	0.02170182	-0.109163485	-0.7192461	-0.70895094	-0.9987925	0.06430546	0.7636064	0.2993408	0.8173828	-0.5588666	-0.40405887	-0.30550653	-0.2027145	0.03713181	-0.1319865	0.46603888	-0.4396193	-0.53980917	-0.523711	0.5563219	-0.28106895	0.6344787	-0.62908757	-0.78474903	-0.90126246	0.24375182	0.26819608	-0.49441046	0.31622759	0.6074875	-0.636632	0.07412859	0.22794355	-0.502348	-0.57246834	0.66455644	-0.032911945	-0.28526363	0.37410957	-0.92293245	-0.55550534	-0.29946664	0.027523052	0.43708414	0.11554591	-0.9744492	-0.28835687	-0.6736373	0.26959866	0.010409952	0.7346432	-0.57944375	-0.024637664	-0.803558	-0.011230656	-0.029984223	0.22301751	0.31808782	-0.07109697	0.39684123	0.36615667	-0.2004324	0.5623013	-0.37990662	-0.49430594	0.30405757	-0.81004226	0.16034721	-0.06830854	-0.10154164	0.5110089	-0.22235063	-0.40904874	-0.9997017	0.49746147	0.6108163	0.529195	0.045092676	-0.848273	0.80738217	-0.11767004	-0.56345403	-0.47058293	-0.32010257	-0.009278907	-0.75606644	-0.6996339	-0.6045374	0.998561	-0.38299525	0.42861745	-0.26117274	-0.15347071	-0.6269922	-0.43717343	-0.48512608	0.66663086	-0.7404073	-0.056085806	-0.5794504	-0.31092888	-0.2889805	0.031802688	-0.7781918	0.7000676	-0.13848406	0.6434572	0.2949427	-0.6282831	0.071522325	-0.35216388	0.08763026	0.4842439	0.34137583	-0.34282187	-0.9985429	-0.30546162	0.10339438	0.77196664	-0.05401527	0.32845008	0.18393469	-0.64913356	-0.36195642	-0.4565002	-0.29749694	0.13344344	0.14798653	0.76768756	-0.32905182	0.36839816	0.40533185	0.40910396	0.7205105	-0.1389383	0.91590035	-0.039155282	0.02671094	-0.35530707	0.87890077	0.59147537	-0.68059736	-0.9667701	-0.7649623	-0.21310721	0.99800575	0.325733	-0.44836894	0.57815856	0.5962277	-0.4373583	0.08912175	-0.8481655	-0.35351902	-0.13728005	0.9738363	-0.68881565	0.8424331	0.14056042	-0.6689765	0.997861	-0.9380512	-0.5979627	-0.3424575	-0.194972	-0.1412563	-0.56097704	-0.03552455	-0.023826014	-0.011838165	-0.8061495	0.03205352	0.12089266	0.062725864	0.41277426	0.063956484	0.063595004	-0.3036659	-0.16318256	0.6967403	-0.1984312	0.739249	-0.87116814	-0.3929364	0.6091584	-0.22351219	-0.2772349	-0.0730218	-0.004870287	0.32026628	0.644681	-0.8716593	-0.14351791	-0.76206213	-0.5900181	-0.5725629	0.23061088	0.7379395	-0.2120288	-0.33566195	-0.5614707	-0.43526202	-0.720151	0.5329512	-0.59136665	0.6219259	0.6347002	-0.15935864	-0.07701687	-0.16813706	0.12526721	0.27425727	-0.43506137	-0.4952554	-0.957092	-0.27202746	-0.097199745	-0.39764863	-0.22183733	0.4968849	-0.26789865	0.99992454	-0.73769784	-0.07669424	-0.14264263	-0.58678913	-0.017283933	-0.06783197	-0.36568174	0.31209394	0.42566627	-0.26425353	-0.20093183	0.15722866	0.35140532	-0.004257752	-0.05163569	0.45322433	-0.5044609	1	-0.2157735	0.2641798	0.10707669	0.5571325	-0.04246486	0.2655936	-0.18705817	-0.4541156	-0.27321002	0.59066427	-0.17784236	0.49957424	-0.028631626	0.17371124	-0.4302594	0.0000930	0.7940838	0.55344	0.045652244	-0.90207875	-0.002488943	0.27185386	0.7814593	-0.054821353	0.63288385	0.30106714	0.16784133	-0.36227238	-0.43686867	-0.32956666	-0.651569	-0.22764076	0.7203417	-0.4506495	0.5467621	0.16460238	0.11977655	0.4065913	-0.037449602	0.36435336	0.99978197	0.61188936	-0.9818465	0.47986925	0.99986595	-0.8998316	0.31978118	-0.9986286	-0.05906171	-0.26406375	0.13290523	0.22015409	-0.35745582	0.053943474	0.2690584	0.23418243	0.24059643	-0.09547008	0.02626826	-0.41234168	0.30397055	-0.35586178	-0.99998146	-0.9964669	-0.8346147	0.13387765	-0.19234672	-0.56478965	-0.7558312	-0.57069933	-0.7084886	-0.6592993	-0.8234968	0.13748579	-0.8307287	-0.038319692	0.28377798	0.22060375	0.18584907	0.16957203	-0.024331793	0.099948846	-0.99992335	0.37088782	0.31832358	0.18133962	-0.66632515	0.25973913	-0.42331466	0.52594644	0.7977496	-0.44924152	0.3634464	0.1529117	-0.45268378	0.9328478	-0.45715258	0.8241274	0.040462337	-0.31458127	-0.27867135	-0.13472416	0.08490316	-0.2891808	-0.54368687	-0.38221502	0.7047843	0.7526488	0.69525295	0.24539576	-0.52422917	0.5635683	0.13802269	0.8321986	-0.025655493	0.4312756	0.46750867	0.97142375	-0.37169436	0.03237285	-0.037883133	0.281236	0.2600596	0.99950564	0.61202925	-0.47514915	-0.21352811	-0.5160237	0.3476049	0.07355698	-0.9901541	-0.24774565	-0.0630852	0.88432544	0.65897197	0.119793266
369	0	CCN(C(=O)c1cc(C)cc(OCC(C)Nc2ccncc2)c1)C(C)C	-0.57516694	-0.0803795	-0.05125825	-0.4548571	0.7442295	-0.20227641	0.025579447	-0.22156955	0.057767343	0.34957045	-0.49548963	-0.8039635	-0.012010253	0.10858555	0.33807427	-0.59315485	-0.5401189	-0.52440697	-0.028721526	0.079573035	-0.26922622	-0.062688455	0.10089876	-0.25955606	0.18542536	0.854811	-0.14013225	0.44660288	-0.45139077	0.49819937	-0.13675196	-0.10497477	0.21469475	-0.5619392	-0.074972555	0.27828103	-0.04794305	0.5326175	0.9991976	-0.5202064	-0.18721698	0.19179529	0.29246473	-0.1974977	0.3320314	0.1246691	0.005733014	0.27792612	0.6813041	0.32756078	0.40007296	-0.2898081	-0.023660444	0.42915687	-0.015234305	-0.28157255	0.0097064	-0.74511147	-0.06427593	0.27390996	0.5204021	-0.64554465	0.29244176	-0.008036579	-0.5133154	0.37451458	0.10915153	0.6119269	0.096928716	0.31381834	-0.9398583	-0.8845647	-0.31973097	-0.45655155	0.6740914	-0.23732334	-0.24806567	-0.3248039	-0.54797614	-0.99774176	-0.1740205	-0.2423332	-0.96890223	0.18688646	-0.41742763	-0.9181405	-0.5471962	-0.07851758	-0.118372	-0.055026557	0.29246843	0.2815889	-0.5096216	-0.63148046	0.9978854	0.45763355	0.66584295	0.22087128	0.05817107	-0.008127647	0.14789163	0.23230875	0.6206316	0.95629466	-0.99800605	-0.4122985	-0.22853978	0.11775962	-0.9283173	-0.6644049	0.4576442	0.25025648	0.28355202	-0.35468397	0.27376395	0.10452381	0.43850285	0.8212248	0.9428586	0.5104153	0.27444968	0.5175275	-0.2430398	0.37596294	-0.28629574	-0.06687863	-0.08751854	-0.10544453	-0.068028316	0.9995623	-0.029494587	0.642496	-0.13803466	0.24411409	0.20953771	-0.9967475	-0.028567826	0.50688285	-0.23227999	-0.49884707	-0.999931	0.4110683	0.63412505	-0.15658171	-0.82822645	-0.52173793	-0.12945782	-0.1309068	-0.975842	0.038307536	0.56953526	-0.036273267	-0.19109339	-0.5825011	-0.5146752	0.4163069	-0.26696533	-0.74175096	-0.5775831	-0.17465518	-0.4693235	-0.3522806	-0.82445383	0.057188366	-0.002099518	-0.50304514	0.41189918	-0.013178591	-0.6994429	-0.5705776	0.28603393	0.44908425	0.31150383	-0.016973266	-0.32458806	-0.8873757	-0.0553127	0.5140409	-0.53833956	-0.6371454	0.022736687	-0.6968536	0.15640084	-0.36348563	0.48556033	0.5589912	0.14149477	-0.7615342	0.379293	-0.37037155	-0.3246869	-0.44857916	0.74977165	0.3469085	0.09741757	-0.50425196	-0.20678799	-0.8674308	0.2622315	0.52450925	0.42956248	-0.14241141	0.1600966	0.23579025	-0.50339085	0.013319408	-0.54833263	0.16755922	0.5630445	-0.9999075	0.5117085	0.30612746	-0.42787555	0.6248567	0.6517996	-0.7489516	-0.3397756	0.25656176	0.47743842	-0.62973416	0.46574476	0.5800204	-0.55699706	0.14312272	-0.99004066	0.13541539	0.28745484	-0.6959906	-0.5771239	0.18816961	-0.45127568	0.9168595	0.11890783	-0.07519171	-0.2670168	-0.79543823	0.03164955	-0.2883247	0.6750473	-0.002796328	0.8900935	0.8311044	0.06707266	-0.12558895	0.28430432	-0.19189796	0.6095722	-0.27612236	-0.3129372	-0.019708753	-0.33386186	-0.96046317	0.4687655	0.014999582	-0.09071844	0.35753173	-0.101340815	0.7003526	0.21225862	0.4751499	-0.2757271	0.30382723	0.29275072	0.6045817	-0.21903455	-0.31731772	-0.32057095	-0.20704935	-0.23419389	-0.5968368	-0.3500535	0.99878514	0.5503637	0.3272821	-0.027733132	-0.8111066	0.54021984	-0.59345686	-0.7757058	-0.31748733	0.52504855	0.99021924	-0.4960647	0.14637658	-0.5790173	0.19709846	0.3275691	0.7866143	-0.2621996	-0.3749295	0.15382366	0.50499415	0.012628274	0.15554287	-0.3083364	-0.44646448	0.99996954	-0.9871155	0.52967715	0.6744576	0.60606563	-0.15742204	-0.46388698	-0.53215134	-0.070573404	-0.74236023	-0.9941393	-0.17704865	0.77049917	-0.641196	-0.2375365	0.4415082	-0.08007322	-0.49592227	0.6052563	-0.43751726	0.11385922	-0.62795043	-0.96521246	0.36035207	0.124578185	0.30240873	0.013024269	-0.19144757	-0.19909349	-0.55059564	0.54937583	-0.82310367	-0.1485885	-0.15716796	-0.8370234	-0.21330138	0.042704746	-0.16265674	-0.6710987	0.31300282	0.31090155	-0.53333294	-0.62633157	0.28504905	0.27806425	0.40719366	-0.24278247	0.16194199	-0.023539623	-0.31973785	0.5104876	0.2479806	0.10384842	-0.8998372	-0.8180936	0.6477723	0.09989962	-0.36648944	0.2939019	0.6377127	0.15532821	0.999644	-0.16272637	-0.77477866	-0.6147075	0.14725794	-0.5229738	-0.65437955	-0.7565187	0.847929	0.10192864	0.04626672	-0.16500059	-0.2586194	0.39636204	0.47945037	-0.75820863	-0.36790618	0.5275835	0.97918284	0.17913495	0.25085333	0.62460667	0.10865681	0.46467865	0.2880295	0.18999535	-0.12624995	-0.13093464	0.14573045	0.35645476	-0.47548944	0.5489205	0.12651913	0.17875251	0.8008301	-0.08811069	0.06891795	0.3002936	-0.74719816	-0.59285647	-0.77218944	-0.60350156	-0.005681126	0.6211325	-0.67852217	0.4336359	-0.047131468	0.34702754	-0.43217018	-0.53365517	-0.8031993	-0.66867816	-0.24397343	0.14316978	0.30815154	0.014191734	-0.25210494	-0.33545327	0.229974	0.9999085	0.35720837	-0.97956336	0.6568525	0.9984291	0.005656025	0.7540912	-0.99892235	0.68924373	-0.8560664	0.17447333	-0.030562952	0.098899625	0.7304504	-0.016149914	-0.4102991	-0.015785059	0.029717	-0.11715675	0.32482058	0.43272364	0.22538404	-0.9998888	0.9978065	0.4193606	-0.45730877	0.37881026	-0.61694086	-0.4702202	-0.28971538	0.44211	0.3452335	0.16671796	-0.0475442	-0.7691573	0.05056489	0.5009594	0.045992117	0.8674641	0.3185194	-0.22184971	0.92560875	-0.9993301	0.1721663	-0.14302716	-0.13855104	0.85997015	-0.89578336	-0.9142513	0.36608073	0.7721254	-0.7858678	0.11966797	0.13750577	-0.17110229	0.96037513	0.17302823	0.2756234	-0.48404485	0.44769725	-0.51134384	-0.16584344	-0.24263577	0.30830267	0.4878244	-0.33983958	-0.6615692	-0.3741915	0.4177565	-0.0849474	0.20500007	-0.23254739	0.7478816	0.6562974	0.42745012	-0.26156718	-0.12310197	0.9990584	-0.58565104	-0.24851564	-0.64405686	0.28037193	0.11285568	0.99997795	0.65246916	-0.5152055	-0.25425774	-0.22317682	-0.06358681	-0.18034181	-0.99860483	-0.42340827	0.08556207	0.1283042	0.108572274	0.169285
370	0	CCCOC(=O)c1cc(O)c(O)c(O)c1	0.6481703	0.3989916	0.14753197	0.3337571	0.5256322	-0.0811294	-0.30090782	0.23240444	-0.4431646	0.079885304	-0.37136665	-0.32238933	-0.37761888	-0.6383698	0.5720283	0.5766527	0.17501464	-0.14314634	0.17690274	-0.091244765	0.26178852	-0.6860111	0.72282183	0.08617818	-0.48428804	0.4883889	0.18219836	-0.07798652	0.5091772	0.060952745	-0.19897483	0.367527	-0.1220153	-0.26251027	0.11527016	-0.49497873	0.5825885	0.05889049	0.9094159	-0.6710325	-0.947114	-0.08333627	0.34513944	-0.2818311	-0.12741275	-0.97846687	-0.03474763	-0.16583064	0.7892301	0.6790669	0.6287931	0.26838112	0.055636685	0.03630899	-0.48338366	0.41349766	-0.29377493	0.7999804	0.35460237	0.17142294	0.4262095	-0.6506625	-0.16805407	-0.46934706	0.16612726	0.7479292	-0.12959069	-0.009302682	0.4095977	-0.20984392	-0.5095297	-0.998397	0.29700372	-0.12614222	0.23949154	0.40981248	-0.25497654	0.04049929	-0.2306829	-0.99703294	-0.97769415	-0.10384415	-0.87408364	0.10618934	0.12189222	0.5224882	0.10005865	-0.025560662	-0.20443372	-0.52388257	-0.13530765	-0.044540238	-0.11183993	0.21594073	0.996162	-0.26796845	-0.6444215	-0.033862	-0.11701995	0.100070365	-0.1283371	0.13496047	0.17469862	-0.12473035	0.040566996	-0.7510188	0.39805067	-0.14168443	-0.99998903	0.5495925	-0.19360402	-0.45345944	-0.6074804	-0.26551187	0.35901827	0.28790358	-0.3710733	0.2444547	0.99943894	-0.17558935	0.15920088	0.11710977	-0.3802779	-0.2328449	-0.7646328	-0.29122466	-0.30947688	0.057785116	-0.40074292	0.97065514	0.20742118	-0.22683531	-0.5945369	0.057022355	-0.50402117	0.42846888	0.46203035	0.44016463	-0.6232904	-0.455641	-0.9973517	0.38584206	0.8479507	0.67627364	-0.39207515	-0.49518535	0.39240566	-0.306722	0.8628716	0.22068737	0.30220538	-0.7618166	0.08197574	-0.25848234	-0.24644378	0.07138822	0.30236915	0.9917597	-0.74258417	-0.2158558	-0.99020857	0.050243553	-0.27198353	0.13128722	-0.072099976	0.37286368	-0.0861191	-0.10450741	-0.18503152	-0.19348656	-0.63253003	-0.15276621	0.6303	-0.3170585	0.13020557	-0.8749245	-0.80686677	0.40554795	-0.81029797	-0.05433753	0.5952048	-0.98857415	0.122232325	0.21853538	0.014301798	0.17584065	0.5497011	0.080443665	-0.67040896	-0.21781549	0.87385416	0.093546756	0.058417346	0.0858398	0.042833325	-0.54839903	0.44736025	0.7528644	-0.5800534	0.07286026	-0.82348347	-0.32012963	0.32319337	-0.38898793	0.30011067	-0.80359286	0.6710938	0.4303957	0.37027624	-0.99594	-0.40647995	0.02438254	0.28942215	-0.29871744	0.21905163	0.07038791	0.23495658	0.52373457	-0.42953092	-0.35757124	-0.4365769	-0.5837159	0.49007446	-0.038477845	0.99999976	-0.07464231	-0.2786919	0.19967835	-0.44339535	-0.042800788	-0.2725178	0.26146826	0.30594212	-0.45803076	-0.41796917	-0.23158032	-0.3068716	0.3512896	0.3243905	0.76415175	0.82980627	0.6837317	0.43839636	-0.61898977	0.16507755	-0.113510735	0.41588557	0.405107	-0.26248616	-0.3059556	-0.46977285	-0.99868447	-0.20432466	0.5107038	-0.35927883	-0.62218344	-0.11266769	-0.13945964	0.41388795	0.7417442	-0.16916452	0.6854124	0.3127026	-0.58149797	0.5330659	-0.43769157	0.6796514	0.4365963	-0.9812432	-0.20038041	-0.3007776	0.87136084	0.25854808	-0.004440465	-0.5366552	-0.31890005	0.070288464	0.81955445	0.28976318	0.41424206	0.014048778	0.9993794	-0.3799855	0.102736354	-0.53491926	-0.5485278	-0.2987189	-0.9736961	-0.9565247	-0.15089335	0.35874128	0.9988759	-0.7207537	0.8791619	-0.08973368	0.4081635	0.99838394	-0.35330632	-0.44891188	0.50976044	0.17901419	0.2814418	-0.4258574	0.08851461	-0.43078366	-0.6559697	0.9188415	-0.030339764	-0.27133605	-0.10925681	0.42758664	0.46909362	0.37852004	-0.2216061	-0.5076707	0.22023948	-0.12875898	-0.586894	0.9998473	-0.017240265	0.3754655	0.35925412	0.3715879	-0.78686684	-0.1706186	-0.21708235	-0.27286485	-0.30901426	0.2770148	-0.22041036	-0.060130313	-0.44850707	-0.20046827	-0.10969358	0.11732694	-0.92105997	0.6175857	-0.28111243	0.6502251	-0.50581026	0.09518209	0.31784302	-0.43371418	-0.004897249	-0.18248476	-0.6602049	-0.48544657	-0.56350386	0.004805068	0.7007383	-0.98217833	-0.1979484	-0.055657595	-0.5697457	-0.3076253	0.08185443	0.5647289	0.9994135	0.46508512	0.88926613	0.001535826	0.757146	0.45999667	-0.5491717	-0.35175216	0.25104555	0.22810246	0.45196894	0.46655387	-0.009646719	0.42017934	0.46534866	0.04458876	0.6624331	0.5844833	1	0.47561172	0.18913843	0.1642026	-0.17683053	-0.7755121	-0.15307648	-0.4905814	0.15100917	0.37406996	-0.41976723	0.55030745	0.5483937	0.24237692	0.77381474	0.13064378	0.2759915	-0.49771038	-0.061187536	-0.3485536	-0.7284144	0.12206705	0.43380934	0.4470537	0.82729244	0.5615279	-0.32560217	-0.6264896	-0.17115064	-0.42018563	0.31768745	0.3397369	-0.3370307	0.22500336	-0.40290117	-0.77169293	0.17670389	-0.46249714	-0.3118032	0.7606819	0.2358012	-0.89837104	-0.46763065	-0.9632559	0.36339965	0.99965274	-0.5358419	-0.53700846	-0.7545497	-0.53830284	0.22997032	0.26508757	0.022603914	-0.020048428	0.4736364	0.073918395	0.34623548	0.44145635	0.46893913	-0.7152215	-0.11219771	0.5616893	0.097625546	-0.99997586	-0.9988296	-0.9845132	0.20361918	0.5544376	0.54018164	0.21458633	-0.72655565	-0.5500079	-0.44887573	-0.23990013	0.5507105	-0.8416519	-0.17651765	0.4009984	-0.48570776	0.76014376	-0.452487	-0.23935387	-0.9516749	-0.99994904	-0.75089526	-0.41661152	0.07396571	0.5617735	0.3512443	0.072781846	0.7907827	-0.56576884	-0.2998683	-0.32974133	-0.4296292	-0.42103705	0.951058	-0.005402434	-0.14594394	-0.2446373	0.75038475	-0.7713826	-0.85010475	-0.17609268	0.12029402	-0.58998114	0.84789515	-0.72313786	-0.17502941	-0.635167	-0.66744965	0.46749476	-0.14873917	0.5013451	0.5968848	-0.85376465	0.46512815	0.09311765	0.32500198	0.093315884	-0.30584335	0.2163423	0.10689531	0.45015252	0.9999827	-0.07090306	0.21966061	-0.5994719	0.5196126	-0.08535007	-0.29760104	-0.85104454	-0.43034372	0.07887455	-0.42109683	-0.10702181	-0.7645153
371	1	O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12	0.5060522	0.3789977	-0.09442598	0.23893346	0.7474781	-0.03267995	-0.07907186	-0.38597846	0.024909353	0.46096873	-0.3168553	0.27774733	-0.25535265	-0.84294206	-0.16482449	0.870271	-0.06402503	-0.30343255	0.02133741	-0.19341886	-0.14917655	-0.7970326	0.27214485	0.68611443	-0.16902192	0.22863321	-0.16469233	0.36121562	0.70201164	0.15307455	-0.24771412	-0.12316819	-0.029281292	0.022558976	0.22014172	-0.2251186	0.63987136	0.49913955	0.9957061	-0.7367013	-0.45468453	0.24115111	0.042553354	0.07108126	0.28883976	-0.7728174	0.46016803	-0.61389023	0.68167365	0.23246522	0.003261696	0.034354456	0.3218313	0.19761197	-0.64471483	-0.082581945	-0.66135216	0.032478306	-0.21155392	-0.33236864	0.12233373	-0.18931778	0.5252321	-0.07824459	-0.1881727	0.07275331	-0.61115503	0.32610545	0.50523925	0.33501476	-0.7749189	-0.9621305	0.30611178	-0.8283519	0.5804645	0.17963701	0.00401601	0.14115642	0.33710805	-0.99513775	-0.9623946	-0.6505453	-0.8859429	-0.6757893	0.21789818	-0.45726603	-0.051093113	-0.41348046	0.08524149	-0.03054654	-0.33151978	0.44282722	-0.1797302	0.14491798	0.99300736	0.10251019	-0.21858469	-0.26228943	0.15634853	-0.1534342	-0.08507072	0.20333317	-0.15347813	0.6106367	-0.96797544	-0.80965114	-0.12698036	0.4270374	-0.9999539	0.34920794	-0.90633357	-0.38216582	-0.6243874	-0.13488834	-0.25040177	0.6207444	-0.082752965	0.24150299	0.9970771	-0.087718785	-0.50893986	-0.79818183	-0.37739247	-0.038315278	-0.78498346	0.10300559	-0.14901258	0.6520464	-0.38235912	0.99875814	0.17244257	-0.36265993	-0.47701776	-0.21244867	-0.69417626	0.3936949	0.6819229	0.7043077	-0.72138464	-0.61270565	-0.9999847	0.49512932	0.8045726	-0.36846712	0.44119215	-0.20920329	0.002605408	-0.3650036	-0.66038203	-0.34692368	0.4170475	-0.9120428	-0.18160038	0.1003984	0.027060397	-0.38947117	-0.38643885	0.61327654	-0.64712775	-0.088123545	-0.9542516	-0.3616351	-0.38278446	-0.64617354	0.55683714	0.7097314	-0.039847188	0.025531948	-0.21803431	-0.32415926	-0.60592383	-0.52725446	0.24854036	0.26981652	-0.040142722	-0.6379727	-0.7715964	0.50469923	-0.59198713	-0.55504805	0.55943775	-0.9361848	-0.22419272	0.1220756	0.45838583	0.24850942	-0.04652955	0.1961574	-0.7567785	-0.37541047	0.87563217	0.13816655	-0.26050058	0.36668438	-0.120451845	-0.3139185	0.5794547	0.78788507	-0.30012015	-0.19236563	-0.35776806	0.22902904	-0.08717611	-0.37232047	0.7071749	0.16221833	0.031202639	0.23195836	0.15063268	-0.99955904	-0.45991978	0.25195703	0.3778996	-0.23291205	0.47714823	0.031715434	0.37694466	0.15882649	-0.35412285	-0.2029607	-0.07314068	-0.5523332	0.074264534	0.5817333	0.99999565	-0.48996007	-0.0675031	0.32254183	-0.46091413	0.08216265	-0.28456908	-0.6146839	-0.045070212	-0.7454031	-0.45107025	-0.34985477	-0.15197611	-0.18535855	0.013510367	0.2769328	0.7960407	0.7487947	-0.07071618	-0.11176015	0.5413591	0.35372525	0.4694722	0.49711806	-0.5978578	-0.47196802	-0.6648605	-0.7677606	0.057428975	0.41155294	0.73991734	-0.5626773	0.5554617	-0.32930988	0.6989537	0.5096321	-0.4411445	0.685527	-0.042960785	-0.43533638	0.3530291	0.1442624	0.5287652	0.30341536	-0.93237925	-0.21353887	0.16284344	0.9429568	0.6309218	0.12998708	0.22455688	0.7860614	0.5275363	0.76210165	-0.05614933	0.19949667	0.27342245	0.99835753	-0.12277875	0.18287545	0.067465805	-0.3770671	-0.65905565	-0.83338565	-0.90666664	-0.09066493	0.6383624	0.98075455	0.67877346	0.38254946	-0.6232064	0.630547	0.9999989	-0.92441857	-0.058287624	-0.59724104	0.54547554	-0.09424908	-0.72524774	0.48520824	0.033548243	-0.9214016	-0.56181914	-0.07645965	-0.28321245	0.21201324	0.029807677	-0.45471773	0.11791871	-0.46888947	-0.3594794	-0.5444141	-0.27982166	-0.745602	0.9995205	0.40047294	0.52389663	0.16754209	0.49097133	-0.53425914	-0.38929775	-0.07950885	0.08748639	-0.6361858	-0.5531887	-0.3130331	0.16219321	-0.4550235	0.3170488	-0.26056224	-0.50922245	-0.3153203	-0.036220156	0.26649925	-0.014229691	0.24968028	0.030848593	0.31896985	0.24207112	0.22406782	-0.17948933	0.15958881	-0.48979095	-0.7018763	-0.2848282	-0.2560984	-0.9429547	0.26479602	-0.28626448	-0.3978185	-0.18238837	0.5856348	-0.23440085	0.9992918	-0.41869166	0.8039947	-0.40488496	-0.27646962	-0.106776	0.29637057	-0.711276	-0.2680728	-0.051566463	0.7578441	0.7655471	-0.07261539	0.46298432	0.60936886	0.77471703	0.35684007	0.3424335	-0.9761414	0.5494396	0.29787558	-0.22931121	0.40904602	-0.8248102	-0.19748919	-0.020694382	-0.7724932	-0.6212539	-0.68408483	0.25849214	-0.55324054	-0.51941055	0.87924486	0.5319751	0.6471304	-0.8133937	0.31905848	0.005866027	-0.31935027	0.3340089	0.36053953	0.7937247	0.6861738	0.54084456	-0.2424273	-0.49248445	-0.13628201	-0.068503216	0.6259274	-0.423806	-0.6642853	-0.33623812	0.106267974	-0.21733138	0.69240373	-0.13198327	-0.059197657	0.87808317	-0.5888629	-0.77463484	0.65916026	-0.9737656	0.05116437	0.99929893	-0.6870126	0.21274722	-0.68399596	-0.26151836	0.3094614	0.6526262	0.58338404	-0.77831817	0.4139363	-0.47948775	-0.38449863	0.13810624	0.23494884	0.3238623	-0.12390769	0.21418776	0.22137906	-0.99998444	0.9999995	-0.89375055	-0.09253366	-0.35708758	0.79595435	-0.28028944	-0.64987385	-0.80199647	-0.1300579	-0.5774334	0.028895322	-0.9087797	-0.22384611	-0.6072452	0.030612156	0.6871278	-0.15671468	-0.04258901	-0.22723453	-0.99994016	-0.4215409	-0.18652259	-0.06323925	0.066419974	-0.32423767	-0.43943805	0.76441944	-0.44705218	0.4759992	0.14873104	-0.17026728	-0.60226476	0.9894545	-0.12962064	-0.08211546	0.18366039	0.4903656	0.12905292	-0.8851309	-0.05427802	0.11895476	0.19826211	0.4885126	-0.89988405	-0.12113373	-0.32752955	-0.57360995	0.25390995	-0.44026348	-0.08469979	0.85060364	-0.11979852	-0.07831397	0.47974524	0.97864544	-0.2572145	0.3345433	-0.074279845	0.43985933	0.1278647	0.9997742	0.776847	-0.18965134	-0.70722836	0.43047902	-0.19398586	-0.15850443	-0.9821829	-0.04093479	0.77213764	-0.63530785	-0.15404156	-0.46889403
372	1	CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1	-0.25809857	-0.44093138	0.64369035	-0.7964948	0.3048616	-0.4875632	0.4534445	-0.6610062	-0.48308882	0.036171913	-0.78667456	-0.11979875	-0.17747128	-0.60830545	0.26245427	0.6683676	-0.52317226	0.36350918	-0.30561665	0.55601627	-0.81629246	-0.17977561	-0.20549755	-0.7041782	0.5160269	-0.38975078	-0.49995467	0.080758855	0.47431615	-0.35100216	-0.030249046	-0.46984187	-0.073003426	0.5325001	-0.73919773	0.89539415	-0.68217176	0.607791	0.99982035	-0.5280487	-0.13257267	0.03572676	0.46811458	-0.61024094	0.07196273	0.62191427	-0.109232605	-0.5129715	0.9995351	-0.15991834	-0.61997026	-0.79566884	-0.37193987	-0.13440447	-0.87462056	-0.5629287	-0.6667218	-0.9320545	-0.84970456	0.35459843	0.053116266	-0.6334728	-0.20312592	-0.80050015	0.34728116	-0.3247886	-0.41767672	0.5883431	0.7396084	0.60272676	0.9725664	-0.21489662	0.8757255	0.23974416	0.8824812	-0.5887338	-0.3799833	-0.25792742	-0.38409314	-0.9960624	0.49183896	0.5423569	-0.84566015	-0.4878957	0.041838408	-0.88509756	0.31251082	-0.58832777	0.15728262	0.2972201	0.8879503	-0.38804913	0.668055	-0.5605857	0.911139	-0.46463785	0.4316449	-0.33689383	0.20153713	-0.5318116	-0.14650542	0.82135016	-0.35163862	0.8532937	-0.999794	0.8484154	-0.4068905	0.58039856	0.98859364	-0.8417745	-0.29860672	0.30272636	0.36345154	-0.59358543	-0.31597117	0.6327468	-0.6809292	0.51277983	0.9032932	0.22680505	-0.31783226	-0.4976054	-0.016008092	-0.41333255	-0.1408811	-0.3421471	0.23738596	-0.19791405	0.23027666	0.99991035	0.003820277	0.6369177	0.29227686	0.29351816	0.19685592	-0.9750601	0.23026454	0.65681934	-0.8487706	-0.724471	-0.99998856	0.68711394	0.8643919	0.09896359	0.6892403	0.15610345	-0.22297879	-0.14099398	-0.99918926	0.33724853	-0.38194153	-0.969114	0.46992537	-0.06479188	0.25796008	0.32075498	-0.000655264	-0.9576298	-0.74538875	-0.98274165	0.100243576	0.8674375	-0.3165683	-0.38988572	0.31935233	-0.7219467	-0.055891	0.36417454	-0.058170427	-0.2932804	-0.6150185	-0.27482316	0.15397169	0.39859882	-0.75123024	-0.88697183	0.03648143	-0.8275903	0.15043734	-0.47819608	-0.18848188	0.80396754	-0.33327696	0.02844955	0.88759345	-0.7381343	-0.06067026	-0.010235565	0.64366347	-0.122834526	-0.18172853	-0.7360613	-0.77444303	0.33688092	0.805701	0.3842617	0.029241197	-0.7407014	0.8260973	-0.65314656	-0.6226721	-0.820418	-0.7920868	-0.6964967	0.02302572	0.64078707	-0.55803996	-0.74083793	0.082952686	-0.99993855	0.11577509	-0.38991848	0.1658554	0.8243495	0.35894924	0.6589978	0.72727656	0.3427973	0.54901576	0.6400316	0.6174855	-0.45865166	-0.9474324	-0.5904729	-0.9928661	0.26344073	0.15222466	0.20796436	-0.07547645	0.3909437	0.50101745	0.13777928	0.36456922	0.43768993	0.19535999	-0.31150702	-0.08986727	-0.4632764	-0.15193379	-0.39570484	-0.92164546	-0.42524675	0.367746	0.048587102	-0.27980563	-0.44916752	0.21382038	-0.20237586	-0.20221733	-0.09388736	-0.124176376	-0.8515716	-0.5897539	-0.41534647	0.8568239	0.19339398	-0.69054806	0.26723573	0.008019446	-0.3555855	-0.14120021	0.16383694	-0.48859572	-0.20565894	0.11110855	-0.6413478	-0.17063457	-0.08011827	0.9845225	0.8559901	-0.13010627	0.9998567	0.20414765	-0.10814429	-0.50891256	-0.9140359	0.70660734	-0.74633646	-0.6565955	-0.32020706	-0.37799785	0.9760147	0.53860116	-0.5899644	0.7117155	0.4121282	-0.5553547	0.9820561	0.5395722	-0.21721473	0.6777875	-0.20100665	0.43717554	0.8090773	0.5430425	-0.6702299	0.9999949	-0.9975441	0.34335575	-0.26313204	-0.2123785	-0.28447735	-0.20414607	-0.5374764	-0.35220018	-0.98834944	-0.9963743	-0.029456625	0.7464479	-0.21656367	-0.7356603	0.8025035	0.33559832	-0.7375369	0.94879675	-0.62577385	0.5707233	-0.096405685	-0.99993813	-0.63949895	-0.25508907	-0.48554134	0.7782866	0.6367294	-0.47534624	-0.057714846	0.0248511	-0.58559144	0.35839108	0.12986116	-0.09254018	-0.81761914	0.75182027	0.5488381	-0.6647332	0.94974923	-0.8628874	0.3125612	-0.77325183	0.65088314	0.29350513	0.08390715	-0.31856754	-0.48866993	-0.3759823	0.41445455	-0.2061662	-0.51370233	-0.3457035	-0.96461874	-0.49942622	0.25595012	-0.18583041	-0.59050465	-0.16325328	-0.50575733	0.4182801	0.99948364	-0.29258305	-0.4175932	0.49970862	-0.33836895	-0.819594	-0.014422953	-0.92738837	-0.50492716	0.14902054	0.33678615	-0.86236435	0.4376426	0.25834867	0.5606115	0.6879626	-0.6932287	0.24096553	-0.9812497	-0.30603814	-0.5510925	0.063120075	0.17824471	-0.5071483	0.1285759	-0.71038043	-0.7732895	-0.8117465	0.02521991	0.016720919	-0.4740606	0.19173634	0.23325866	0.42542002	0.60093683	0.6223164	-0.5841094	-0.2202796	-0.6501077	-0.29862422	-0.72849286	0.842825	-0.81440556	-0.24196841	-0.19300094	-0.31071317	0.32437274	-0.14986297	-0.9147086	-0.80758244	-0.72342116	-0.16006427	-0.015712285	0.74494725	0.04437636	-0.019432295	0.38863152	-0.9371446	0.7530439	0.99999994	0.66404086	-0.98224175	0.86445653	0.9995884	0.054170348	0.23018947	-0.9999649	0.46765095	-0.57527184	0.69830674	-0.67664975	-0.4074859	0.23195875	-0.33360505	-0.53796273	-0.80482775	-0.31425884	0.008399648	0.19852991	0.8620919	0.69977117	-0.9999603	0.99999774	0.510079	-0.65481395	-0.24793102	-0.31266582	0.27645478	-0.8420466	-0.6793357	0.8190061	0.18592098	-0.08986771	-0.81292385	0.68391824	0.48152754	-0.494849	0.6109476	-0.19798951	-0.4847752	0.9657943	-0.9993413	0.8408123	0.36698845	-0.06406932	-0.18882507	0.3767592	-0.9882156	-0.6074815	-0.053690095	0.65454376	-0.47367585	0.40658394	-0.78399956	0.9407916	0.002836926	-0.68280673	0.6906286	0.58885473	0.40684503	-0.5500938	-0.33712867	-0.09674524	0.57610536	-0.6048947	-0.99997216	0.30038783	0.8610781	-0.48373693	-0.20287158	0.17153493	0.34617358	0.088834465	0.65072525	-0.44465473	0.07696571	0.99891067	0.5805535	-0.28433767	0.34277806	-0.4653488	0.531936	0.9968069	0.8131641	-0.15486032	-0.07024986	0.100303315	-0.48640934	-0.103271134	-0.9994837	0.42160892	0.44084647	0.17894742	0.20054844	0.02861316
373	0	OCC(O)CO	-0.7546211	-0.08655846	-0.5831789	0.50282466	-0.046082914	0.28974396	-0.38429895	-0.3387248	-0.48479146	-0.5491168	0.12233303	-0.37970394	-0.24124177	-0.45822656	0.7381993	0.6649378	-0.36234292	0.39952874	0.5214296	0.015938941	0.022005675	-0.84967774	0.22761406	0.16248907	0.27406356	0.18628325	0.09045003	-0.39188358	0.55992764	0.030809574	-0.019098649	0.5290366	0.46080112	-0.054911707	0.1382842	-0.67443424	0.028441235	0.71656984	-0.96770453	-0.64975935	-0.7518854	-0.25924614	0.54370743	-0.39748043	0.1305147	-0.9870753	0.5552007	0.06438878	0.6309517	0.41411397	0.25365132	-0.27560747	-0.63057333	-0.23364082	-0.76673716	0.02479541	0.5113606	0.95779026	-0.27604836	0.12111519	-0.50688934	-0.4642531	0.24790841	-0.099917844	-0.06565238	-0.027996022	-0.13752474	-0.33427623	-0.37366965	-0.36914235	0.16362415	-0.9999445	0.12472599	0.8957324	-0.55248183	0.645634	-0.46601087	0.2607722	0.2740075	-0.99415916	-0.9586858	0.002998339	0.23593208	-0.56008875	0.40101963	0.99202037	0.62843055	-0.19576356	0.21088478	0.11096684	0.025011713	0.18238899	-0.27094823	-0.23321041	0.7811951	0.32752734	-0.9399378	-0.25501192	-0.12591165	-0.659973	-0.21236494	-0.023077462	-0.2368049	-0.8902108	0.99201614	0.087150946	0.64551806	0.0540376	-0.9999893	-0.076807946	-0.15821722	-0.28628376	-0.10177315	0.035983145	-0.034417115	0.4844008	0.07010178	0.07721016	0.99515104	0.253876	0.2507423	0.11871328	-0.09757064	0.19746791	0.5230651	0.097584	-0.6002316	-0.20167448	0.3518943	0.57423204	0.5126027	-0.4142161	-0.11125086	0.5891871	-0.22786967	0.9928504	-0.38008672	-0.2646211	0.12354546	0.50977075	0.9986573	0.12519486	0.89984	0.16466637	0.105504945	0.021235378	0.60260355	-0.35355586	0.9944498	-0.017522464	0.11397593	-0.37633243	0.04747239	-0.33333457	-0.036640413	-0.57938063	0.218438	0.99705994	0.35439137	0.31985307	-0.9827607	0.4428278	0.19400506	0.062365025	0.54856837	0.43788552	-0.009711589	0.69254506	-0.2690239	-0.2733293	-0.6650133	-0.17075047	0.25643	-0.19513132	-0.1791558	-0.9359598	-0.43135345	-0.4469714	-0.57033646	-0.07643437	0.23838794	-0.8861769	-0.17966813	-0.31031275	-0.5053474	-0.25674185	-0.35562855	0.103679776	-0.21661943	0.66905665	0.6906819	0.37065333	-0.049538616	-0.40004262	-0.12663876	-0.47138423	-0.10532046	0.5457642	-0.4828922	-0.38007322	-0.7517824	0.11760064	-0.36017206	-0.09487321	0.68305147	-0.14448094	0.29831123	0.8046233	-0.67135274	0.8731973	-0.33812335	-0.30210447	0.08032996	-0.44273454	0.102103375	0.3540196	-0.68133324	0.10359972	0.28532103	-0.14641237	-0.53952175	0.37120566	0.8372084	0.4152444	1	-0.5770565	-0.37276548	-0.4775978	0.048714384	-0.5104507	-0.35842678	-0.64330256	0.075760126	-0.000656795	0.10685785	-0.6822209	-0.1919488	0.11218668	-0.56180984	0.04673984	0.82563025	0.035454977	-0.61604166	-0.23600502	-0.18464226	0.032195006	0.09809268	0.17005965	-0.12365301	0.1944546	-0.2978389	-0.9979805	-0.2661872	0.22826917	-0.005906349	0.2910225	0.20834474	0.20649573	0.3412788	0.40396884	-0.6021323	0.28042334	0.42649275	-0.28218588	-0.20042661	0.47848216	-0.45180982	0.77243614	-0.97127193	0.40528256	-0.2837088	-0.87099165	0.56228346	0.3770384	-0.057368185	0.94055206	-0.06684944	0.36605322	0.024803014	0.72108895	-0.39502954	0.9954047	-0.18483074	0.6435283	-0.63984334	0.32990208	-0.81869966	-0.9966161	-0.9949082	-0.012431587	0.56726784	0.9966879	-0.22665146	0.7215648	0.23610288	0.14215185	-0.99710375	0.89219946	0.29822317	-0.37430313	0.04366636	-0.06457032	0.59576964	0.39459178	-0.34948155	0.6256952	0.9990764	0.20749818	-0.29414344	0.061983865	-0.17634141	-0.14259106	0.7774267	0.04468791	0.23778708	0.46457225	-0.063132785	-0.30261046	0.99990296	0.067527995	-0.4890171	-0.014958129	0.20037815	-0.26364812	-0.6294996	-0.6145462	-0.060614005	0.52728224	-0.024878131	-0.63613814	-0.07145729	-0.2586377	-0.6635238	0.8627201	0.114140205	-0.97861594	-0.19208206	-0.3862237	-0.629323	-0.41800424	0.1706124	-0.065625355	0.51551753	0.5503155	0.36413136	0.053395785	-0.076168194	0.53382236	0.30059597	0.9686782	-0.9452864	-0.40537474	0.034786087	0.21730606	0.2089159	-0.002859221	-0.1739287	0.015384226	-0.40072033	0.763519	-0.105725855	0.3352676	0.6630245	0.37625018	0.6259259	0.04732957	-0.08594107	-0.287761	0.39732498	-0.287321	0.630144	0.23239098	-0.18924521	0.91256815	0.2467737	1	0.25601557	-0.31387362	0.06309741	-0.5051305	-0.85615873	0.31399092	0.5527632	0.3038523	0.35030782	-0.52508515	-0.085901104	-0.3230309	-0.3174561	-0.077316985	-0.49978396	0.31083336	-0.47238523	0.031372163	-0.5067701	-0.45244375	0.27865925	0.93301845	0.5830311	0.85627896	-0.48093462	0.48992682	-0.54805297	-0.43137333	-0.33558318	0.02663568	-0.29588276	0.0775127	-0.5036359	-0.11849281	-0.24976178	0.5882405	-0.003907756	0.12703744	0.4857134	-0.49340382	-0.97077465	-0.40116268	-0.6924305	0.2458351	0.86586326	-0.12764478	0.23648252	-0.19916163	-0.28244486	0.74904096	-0.25886938	0.11004194	-0.70912653	0.28065118	0.046007667	0.96169	-0.26355737	-0.34486333	-0.4667044	-0.310877	0.080494545	-0.117505565	-0.9992446	-0.9999989	-0.9926806	-0.5740535	0.36098108	0.6730457	0.27352512	-0.41355217	-0.3325248	0.53226393	0.277211	0.0760582	-0.17114255	-0.3658303	0.29721645	0.40802607	-0.16241513	-0.11180276	-0.72067136	-0.99257576	-0.99945647	-0.32744282	-0.45255545	0.028087322	0.12525195	-0.41621903	0.04589105	-0.44285282	-0.6082157	0.23427139	-0.34111896	-0.6309354	0.07177518	-0.9384755	0.67550427	0.91523415	0.002727408	0.8168599	0.31449023	-0.87226486	-0.30287242	0.64283437	-0.316986	0.9568607	-0.8400382	0.4571186	-0.64962023	0.3997544	0.000762041	-0.5078166	0.5945482	0.20945734	-0.4337472	0.27274138	-0.18040384	-0.99259806	0.20527704	-0.42448595	0.5833972	0.4613919	0.40475738	0.9991291	-0.74657726	-0.53950936	-0.21059144	-0.04018163	-0.14673597	0.3953998	0.94981116	-0.3961673	-0.34418046	-0.85402834	0.6939571	-0.064528674
374	0	C[N+](C)(C)CC1CO1	-0.42297	-0.51727676	0.07146015	-0.03210925	-0.17672594	-0.5146183	-0.50117654	-0.5112149	0.2467038	-0.40616044	-0.37205333	-0.24694672	0.33463255	0.00626092	-0.13776241	0.2658867	-0.011037779	-0.2062544	-0.023596691	0.5698755	-0.7871627	-0.857119	-0.3559797	0.17409086	0.38205555	-0.59066325	-0.2193888	-0.20565449	0.83913195	0.37732893	0.058403954	0.4581458	0.7525149	-0.32120746	-0.25635582	0.640547	-0.61481017	0.13165726	-0.81879026	-0.8357532	-0.9880977	0.10926071	-0.1475586	-0.6593859	0.13477433	-0.99757326	0.13806108	0.30644974	0.99944407	-0.045717116	-0.08725212	-0.66261744	-0.37706783	0.30790994	-0.89666396	0.2767704	0.21782906	0.9804709	-0.44465774	0.11769021	-0.42005798	-0.7543075	-0.13251896	0.58543813	-0.50008047	0.107497305	0.6944707	0.123000786	-0.27808046	-0.07290165	0.86546725	-0.9995708	0.3517705	0.89020514	0.18612953	0.45003837	0.42102143	-0.2954203	0.011945632	-0.99997544	-0.010662322	0.24337445	-0.75445163	-0.24187106	0.4876399	0.9526681	-0.08685335	-0.5476528	-0.17834124	0.24874826	0.61257565	-0.1212969	0.24219236	-0.058554977	0.5190671	-0.04186048	-0.68425155	-0.47859162	0.5915158	-0.2876	0.14916287	0.274143	-0.41309506	0.02485343	0.9820677	0.26181367	0.32647684	0.015805045	0.98427325	-0.5060937	-0.122153334	0.16291241	0.83468807	-0.3518051	-0.4728432	0.63203007	0.11348989	-0.34154117	0.99916667	0.7327226	0.4719622	-0.08402845	-0.33864257	-0.13858792	0.15556403	-0.43174106	-0.40884852	0.23408315	-0.1429912	0.9639773	0.76363605	-0.029050205	0.058899187	-0.12836191	-0.09776893	-0.7508007	-0.41932803	-0.23868346	0.47336036	-0.24002501	-0.9946333	0.076247446	0.9933843	0.48094097	-0.3960288	0.3312945	0.5705392	-0.5850016	0.99567586	0.29769945	-0.109802	-0.75630516	-0.25494742	-0.39591852	-0.39762163	-0.15943266	0.04767805	0.9995449	0.5888197	-0.97368395	-0.9942126	-0.18676396	-0.04092793	0.42686608	0.3066584	-0.031341545	0.7457546	0.6504343	0.16807324	0.08258335	-0.9009922	0.02684827	0.13451779	0.051457427	-0.28010243	-0.9665645	0.18770069	-0.22283126	-0.28408885	-0.741263	-0.009232722	0.45126614	0.40185454	-0.24658456	-0.82109016	-0.16805528	0.063604645	0.5339944	0.5210957	0.7842075	0.27007493	-0.19901337	-0.23744941	-0.27984545	0.2192583	-0.70583224	-0.431519	-0.77371603	0.62353706	-0.37973103	-0.38651225	0.26149514	-0.7535363	-0.7344129	0.3011678	-0.3015745	0.088258296	0.42402497	-0.012672845	-0.22878103	-0.060658462	0.25549525	0.59850234	-0.3901494	0.8368762	0.66525805	0.1862318	-0.46878237	0.085554235	0.19871786	0.3582697	-0.8030236	0.6274499	0.23581603	-0.906792	0.3406099	-0.32006076	0.3950179	0.44055805	-0.4724629	-0.089431286	0.5471487	0.011517608	0.23262419	0.07972955	-0.70569086	-0.4380724	0.44124016	0.19310285	-0.48316935	-0.9049343	-0.43723914	-0.6943534	0.34978786	-0.45862037	-0.27794585	0.45366222	0.23120914	0.03973059	0.7134227	0.07970755	-0.9965855	-0.018660128	0.044777103	0.43071267	0.5203067	-0.7901328	-0.31841275	0.10534864	-0.4498424	-0.3078975	0.18510725	-0.5118225	0.016348617	0.10032558	-0.32940575	0.10743801	0.2023178	0.962878	0.07647694	-0.7192249	0.9491664	0.39449406	0.71582395	-0.15256199	0.09683292	0.07308127	-0.8059125	-0.28740034	-0.14548238	-0.06730298	0.99946105	0.25665367	0.7264128	0.40314287	-0.0419931	0.001987491	0.23690192	0.94276595	0.16930194	0.31911394	0.9996677	0.6962072	0.4386334	0.74243486	0.005723471	0.97927356	-0.24193965	0.68912166	-0.65549785	-0.27256528	0.36874962	0.93564296	-0.42930722	-0.6020437	0.054259516	0.9993991	-0.43535927	-0.14987919	0.17108469	-0.08481082	-0.25653768	-0.23158859	-0.6053173	0.88836175	-0.6076916	0.08213331	-0.021885261	-0.99995786	0.5465108	0.39082673	-0.2510063	0.6671902	0.19361101	0.24560168	-0.44984588	-0.40468085	-0.24986231	-0.5407278	-0.25298044	-0.29612583	-0.006577612	-0.34202155	-0.10748936	0.15362282	-0.74215174	0.1638159	-0.35713243	-0.6831209	-0.29906365	-0.045533985	-0.15707833	0.1064868	0.47502193	-0.49009508	-0.19963303	0.1693875	-0.53195816	0.6460518	0.98121375	-0.99396574	0.44072253	0.21109398	0.005165583	0.28617808	-0.66477835	-0.19897625	0.9612383	-0.46934825	-0.63395584	-0.2083568	-0.38096774	-0.56163424	-0.21085459	0.39311382	0.040313125	0.000311136	-0.11316086	-0.115864426	-0.08773553	0.8655342	-0.58277535	-0.4782203	0.91902024	-0.13062645	0.99999994	0.1977204	-0.7848148	0.2870562	-0.6093657	-0.9088053	-0.2518647	0.52950025	0.40226862	0.011886628	-0.646585	0.08092252	-0.19246866	0.19150895	-0.4928891	-0.443653	0.55820465	0.5391751	-0.000734949	-0.49336618	-0.3225152	0.54823095	0.852374	0.5629105	-0.07800899	-0.9536482	-0.27855286	0.03759855	0.36085692	-0.24319682	-0.10978642	-0.78565216	0.11220061	-0.5832987	0.08791335	0.009542346	0.32828552	0.021591913	0.07691375	0.20526911	-0.13186955	0.9999999	0.35994595	-0.9969978	-0.059761323	0.9954135	-0.56086063	0.4247234	-0.9999673	-0.13624357	-0.110493764	-0.6441488	-0.53152066	-0.3102534	0.1989743	-0.037145913	0.93205595	-0.22233005	-0.48403764	-0.3211587	-0.36817056	-0.5100815	0.43196878	-0.9998991	-0.9974725	-0.9952367	-0.63195276	0.17636523	0.5481562	0.17759112	-0.086700715	-0.05481698	0.56644917	0.28820714	-0.14986785	-0.05241187	-0.664609	0.5153468	0.32240322	-0.5755378	0.26847565	0.16110826	-0.9978324	-0.9998672	0.5482948	0.09302667	-0.11693138	0.3012971	-0.15975338	-0.97577643	-0.64221287	0.050439134	0.12265623	0.09665689	0.08176663	0.6328991	-0.446086	-0.010925199	0.9288873	-0.2055575	0.37829718	0.1163038	-0.370994	0.5168695	-0.086487494	-0.13976902	0.5753009	-0.998435	0.4748804	0.5404693	-0.14472927	-0.004450779	0.6401379	0.304819	-0.43885922	0.48869932	-0.30322295	-0.3211078	-0.9876697	0.15934801	-0.494938	0.6231797	0.19520171	-0.18260834	0.9995123	-0.032899246	0.2980985	0.46085167	0.1705138	-0.002683128	0.47181955	0.81290865	0.2137976	0.34715015	-0.13630845	0.8366905	-0.015055747
375	1	O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1	-0.017005503	0.5911879	-0.22889178	0.24725522	0.6426396	-0.2726413	0.16595906	-0.4878324	-0.087095104	-0.19560468	-0.5845917	0.16855744	0.108206116	-0.76294047	-0.29375383	-0.33469766	0.7396646	0.257022	0.015032169	0.1420459	0.12459251	-0.58782464	0.20424747	-0.19993378	-0.40250352	0.20691207	-0.22837594	0.011431773	0.49719158	-0.516531	0.35421738	-0.40673894	0.38892087	0.44279462	-0.42427313	0.043126386	0.6580744	0.18387264	0.99877733	-0.76590466	-0.5039805	0.29257596	0.008463586	-0.3690168	0.7863168	-0.023376599	0.10689161	-0.14467995	0.96142393	-0.39110297	0.5340049	-0.33312762	0.7492611	-0.31336868	-0.39088613	-0.74953294	0.5340889	-0.40295172	0.2396172	0.57748127	0.18319942	-0.53590757	0.31234717	0.08614711	0.28173193	0.24623473	0.03540192	0.347964	-0.07468914	0.17339672	-0.78186214	-0.6555478	0.4215549	0.48544708	0.7810266	0.48156184	0.16117932	-0.2445469	-0.696365	-0.9974254	-0.40338284	0.071866624	-0.8094475	-0.37307885	0.5212123	-0.94475985	-0.24274491	-0.27500114	-0.31074595	-0.45931193	-0.12479565	0.33607012	0.32319662	-0.48530495	0.9965338	0.38894337	0.69180727	0.06755967	0.19731812	-0.3177988	-0.7163315	-0.08831795	0.47617105	0.99766207	-0.99685323	-0.10860466	0.32893845	-0.13817598	-0.870774	-0.05250409	-0.06531551	-0.23737548	-0.0714357	-0.17888373	0.45534036	0.7989181	0.26803154	0.1580795	0.9532442	0.64745116	-0.17897226	0.1871404	-0.45058745	-0.4338464	-0.043281525	0.35847163	0.19062808	0.17991464	-0.68435115	0.9999498	0.10235057	0.34256667	0.7635534	-0.21093243	-0.52550024	-0.90779006	0.1622568	0.5467584	-0.25361392	-0.73324484	-0.9999976	-0.5980238	0.8389772	-0.41597947	0.5120762	-0.42450714	-0.25549966	-0.29170302	-0.9746441	-0.47759613	-0.027034966	-0.5983981	0.5730906	0.2544644	0.013747161	0.6037635	0.7930936	-0.46407908	-0.28623694	-0.8246183	-0.5452763	0.6095994	0.33826998	-0.5070776	0.6392452	0.40381715	-0.60060155	0.28383264	-0.20343821	-0.72059864	0.10237534	0.44939846	0.09720394	0.22791588	0.006616939	-0.94295025	0.41684255	0.4849028	-0.2647875	-0.056604035	0.013186379	-0.06251346	0.2748066	0.27608413	0.27916524	-0.25788543	-0.1575817	-0.07015485	-0.4944084	0.18012318	-0.7137556	0.5618488	0.29152387	-0.19818301	-0.04045685	-0.5526729	-0.21913372	-0.6362926	0.7629217	-0.19590893	-0.7069203	-0.31245688	-0.61358255	0.62808657	0.012040461	-0.5500354	0.13434854	-0.6791007	-0.74459255	-0.9997805	-0.07853586	0.59531766	-0.36650681	-0.26949	-0.5269869	0.2760553	-0.16519713	0.3464809	0.61181116	0.12832466	-0.2774212	0.38895786	-0.7220147	-0.330747	0.991122	0.12514119	-0.3138098	0.6229781	-0.12563725	0.24748449	-0.6215245	-0.06685825	0.5242631	0.1505397	0.098738	0.3937419	0.14971459	-0.37255388	0.23390275	0.34583315	0.75591815	-0.15925194	0.4184577	-0.44377613	-0.1559156	0.36902285	-0.44685268	-0.3249189	0.18034163	-0.29261088	-0.43527898	-0.5987486	-0.06933799	0.47826454	0.32923406	0.25657365	0.38787824	0.3625277	0.34706083	-0.45325014	0.004767228	0.5720948	-0.4273309	-0.47182325	0.102914736	0.46912807	0.54263496	0.015200734	0.7815926	-0.15766652	-0.587993	0.9855884	0.012931578	-0.096378334	-0.60913885	0.82290334	-0.46515328	-0.728408	-0.32024118	0.10836622	-0.3679622	0.9949202	0.19118874	-0.1647766	0.26119205	-0.5516963	0.60269064	0.8534428	-0.4569577	0.12612067	-0.5764641	0.7277042	-0.4892818	-0.8536811	0.48772907	0.684671	0.9999987	-0.9937022	0.4839908	0.44277367	-0.03605348	-0.37696066	-0.20293616	0.21326248	-0.3895839	-0.71826035	-0.98619586	-0.002539018	0.9074043	0.19549918	0.5532095	0.03249268	0.23558149	-0.40692487	0.720175	0.16527283	-0.27826574	0.34238547	-0.96004325	-0.28339612	-0.6684872	0.15542455	-0.3153824	-0.69215596	-0.21179411	-0.007983208	0.53443253	-0.8931806	-0.26141998	0.0750814	-0.64674276	-0.17955013	-0.016540557	-0.1383756	0.4219933	0.74780935	-0.45481378	0.79655164	-0.34355006	-0.102024436	-0.5815438	0.034845155	0.64243895	0.15398031	0.04446267	0.6107619	0.34414837	0.6797533	-0.25749284	-0.8830089	-0.9037615	-0.032951385	-0.36522874	-0.3473463	0.61502606	-0.095932156	-0.054857444	0.99937534	-0.5549887	-0.4135066	-0.4885147	0.6002154	0.24244288	0.5204641	-0.92255145	-0.041475836	0.03163012	-0.54168206	0.086893275	0.24394237	-0.045140974	0.7808685	-0.34358174	0.20292045	0.31625852	-0.99744266	0.5583708	0.2438042	-0.18553337	-0.45174432	0.58662313	-0.20155178	0.8138724	-0.6411771	0.36369705	0.57531637	0.104081415	0.4128273	0.19256422	-0.8563062	0.6044005	-0.5049659	-0.36705986	0.09909736	0.49131948	-0.12699032	-0.26379433	-0.072981276	-0.8751633	-0.54378974	0.20047314	-0.26854923	0.4642935	-0.39095682	-0.05813867	-0.51413304	-0.81735694	-0.8340726	-0.35551244	0.5310221	0.5588396	-0.011929456	0.2745208	0.0940147	-0.019388644	0.27264246	0.9999173	0.17931123	-0.9807851	-0.33486256	0.9986232	-0.103796914	-0.62126	-0.9991964	0.48018828	-0.84215933	-0.6634075	-0.033436127	-0.18011388	0.28946748	-0.07237404	-0.5723121	0.009151065	0.40018478	-0.21113531	0.09518816	-0.3852245	0.069922134	-0.99996936	0.9999998	0.5518946	-0.22254212	-0.011651122	-0.47700307	-0.6433058	-0.85490763	0.65486753	0.61994153	-0.3921225	0.19676167	-0.5712727	0.30891368	0.18254113	-0.17052941	0.08549835	-0.35506263	0.079111844	0.9049923	-0.99958646	0.74058485	-0.20823666	0.5017033	0.41694042	0.078301586	-0.97146606	-0.13321008	-0.5427468	-0.40829828	0.06607818	-0.35821626	0.70265627	0.8961941	-0.18233645	0.87532854	0.25198966	0.5263678	-0.4307401	-0.40851352	-0.66217595	-0.63755286	-0.5053625	-0.78533477	-0.3030695	0.471884	0.28761306	-0.54448587	0.2728477	-0.449517	0.000743972	-0.09534343	-0.6286384	-0.31047264	0.23942481	0.9981537	-0.23958685	-0.5124153	0.24162887	-0.26922598	0.70795906	0.9999168	0.53068995	0.6606576	0.703827	0.05144049	-0.23211528	-0.34367192	-0.9937865	0.18001762	0.2752433	0.052682143	0.5613046	0.09969216
376	0	COC(=O)c1c(Cl)nn(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	0.9726366	0.69424886	-0.45918417	-0.084359035	-0.5458132	0.71879566	-0.051772866	0.29713672	-0.54273236	-0.15442775	0.84355855	-0.38769644	0.48885006	0.41880515	0.40348905	-0.66197264	-0.025081754	0.34246865	-0.63529986	-0.81757414	0.50195324	0.57460237	0.7877797	0.16993982	-0.12699465	-0.7443899	0.6986851	0.22516765	-0.8767209	0.12010149	-0.3824415	-0.5866154	-0.35370442	-0.11736344	0.7064919	-0.40942144	0.49785295	-0.78193283	0.9996443	0.73064893	-0.6444085	-0.085060015	0.3798919	0.54947853	-0.450877	0.8190464	0.2799101	0.06763054	0.07270352	0.7625017	-0.37742445	0.15899336	-0.7898459	0.268185	0.7956683	0.6019232	-0.55924535	-0.9637687	-0.3026934	0.7062968	0.11608323	0.6135494	-0.16357534	-0.15558322	-0.5858487	0.5597166	-0.021775946	-0.66217417	0.055428896	0.4782134	-0.989682	-0.99989545	0.2014397	-0.56329507	-0.78182393	0.5859042	0.038310163	-0.88888216	0.47629216	-0.99991465	0.567654	-0.5841965	-0.9039452	-0.117035985	-0.17132653	0.67139846	0.6987227	-0.13102011	0.14384875	-0.23404981	-0.58796054	-0.079887874	0.6694155	-0.49717325	0.9999982	0.19040148	-0.9605921	-0.052666787	0.25965673	-0.38315514	0.4628175	-0.64490587	0.65600866	0.6812331	-0.9990211	-0.9988333	0.2218681	-0.010274904	-0.9997025	0.7193201	-0.24179114	0.03045539	-0.7156185	0.095389344	0.39390302	-0.04437339	0.5099119	-0.5901102	0.924183	-0.30281752	-0.6983777	0.22232336	-0.022367425	0.8389728	-0.25229302	-0.86037314	-0.18409051	0.08194565	-0.76384056	0.39144975	0.1391162	0.045878485	-0.15668677	0.2489652	-0.13689668	-0.9723591	-0.22088344	-0.58281964	-0.36799064	0.3626479	-0.999951	-0.5644507	-0.9740763	-0.25628334	-0.53704304	-0.039526165	0.25642812	-0.44821632	-0.9967056	0.008004688	-0.23873967	0.8608095	-0.6335906	-0.34791425	-0.43220475	-0.104037635	0.5043547	-0.9515266	-0.827788	0.8391437	0.031391446	-0.32498726	-0.32872796	0.60209936	0.56881076	0.3045079	-0.4493179	-0.11000973	0.106139794	-0.7473463	0.5499459	0.46464956	-0.02260612	-0.3772832	0.6299245	0.76619667	-0.46272525	-0.51754963	-0.6370139	0.6220642	-0.09753306	-0.99998486	-0.3040172	-0.3531768	0.960357	-0.12653232	0.5953694	0.6394991	0.5676279	-0.1931421	0.74413115	0.1029919	0.41458076	-0.47232273	-0.75186676	0.30016878	-0.59350395	-0.8679781	-0.7835047	0.024008207	0.05103269	-0.29699105	0.16589502	-0.76577455	-0.34066343	-0.066429056	0.7665095	0.6203171	0.79350835	-0.99990964	-0.65349716	-0.3527432	-0.7563368	0.2552988	0.12871571	0.42773736	0.3781282	-0.424971	0.10342006	-0.27384984	0.36948192	-0.6097204	0.9568475	0.12100679	-0.9839176	0.076076224	-0.41339722	0.8347998	-0.46241444	-0.038007695	-0.64658666	0.3954558	-0.62093896	-0.00293359	-0.04892056	0.05442024	-0.03760928	-0.25691947	-0.5799611	0.7788035	0.80208695	0.76945865	-0.5586104	-0.07661618	-0.1723045	0.6404359	0.30784822	0.14722876	-0.5602311	-0.5339013	0.63973165	-0.9789987	-0.42556152	0.5565354	-0.6218194	-0.724197	-0.7813798	-0.10755619	0.107120015	0.2857189	-0.01768919	-0.38869312	0.92485124	0.45069933	-0.24770026	0.26412073	-0.539469	0.8693062	0.8264452	-0.4524561	0.8984703	0.9966033	-0.5387946	0.034305036	0.7157433	-0.9326687	0.57735175	0.9043827	0.72377926	0.11900448	0.06673086	0.9152007	-0.42677397	-0.3233945	0.77907956	-0.21215324	-0.049048968	-0.9241757	-0.9996929	-0.15245754	0.6447704	0.10901966	0.7515235	0.5958368	0.73542416	0.182623	0.9999751	0.7762769	0.22695735	-0.274179	-0.26944363	0.84841233	-0.62168306	0.45686144	0.8577856	0.81583107	-0.99739337	-0.33514804	0.7529188	0.37757662	0.4735693	-0.5225984	0.47895545	0.27337405	-0.9935904	0.38655052	0.19245374	-0.55730516	0.9701343	0.84700316	0.23521608	0.18135132	0.11017471	-0.50492245	0.8463678	-0.26063722	-0.002799315	0.5141502	0.085074134	0.6581845	0.4224086	-0.10493658	-0.8139232	0.32446808	0.07245572	-0.991224	0.04701388	-0.33281687	-0.6389739	0.1254701	0.22071187	-0.08020155	-0.2104246	0.274697	0.27407607	-0.167688	0.38100365	-0.061188366	0.6986556	-0.98452777	0.4049289	0.15817676	0.7572536	-0.5110625	-0.09562832	-0.63813394	0.1159235	0.9991075	0.75102663	0.49097648	-0.007029415	0.5901792	-0.3305337	0.26053104	0.7952582	-0.17548844	-0.27057233	0.65700406	0.41885498	0.03841268	0.6188482	0.3753124	0.6281907	-0.94670486	0.15229583	0.99237436	0.18930063	-0.5652159	0.11773329	-0.13639772	0.42126226	-0.5820377	-0.7925745	-0.17269251	0.68098253	0.37702653	-0.21668755	-0.2620586	-0.09012852	0.6966698	0.61749715	0.16327421	0.27473974	0.10745688	-0.029355137	-0.85891134	0.16677257	0.876211	-0.41523916	0.9300496	0.9998858	-0.32994357	-0.032118876	-0.4069995	0.43477765	0.83037114	0.74014723	0.75967616	-0.32730463	-0.7834509	-0.45141217	-0.740864	-0.5855946	-0.4913869	0.27711058	-0.66404635	0.91656923	-0.028189562	-0.92603266	-0.7332635	0.9955834	0.25842744	0.53315234	-0.97850066	-0.5837849	-0.8874631	0.15833265	0.34110302	-0.26336682	-0.28906316	0.20806885	0.9650563	-0.5879992	0.42226368	-0.3129623	-0.17005996	-0.5812407	0.1671921	-0.9997953	0.99306643	0.345863	-0.29483208	-0.38330263	-0.41683596	0.27199808	0.8044171	-0.8871081	-0.7768823	-0.120579146	0.74897915	0.22138147	0.04365709	-0.5695636	0.81249887	-0.4371056	0.029751373	-0.96095663	0.83445966	-0.9979257	0.18995273	0.81051844	0.10457735	-0.01574258	-0.2746701	0.99874604	0.8667921	0.93618065	0.24123356	0.6174184	-0.1980061	-0.3541825	0.9312425	-0.02763684	0.48265857	-0.18358155	-0.7176554	0.10791529	0.60556614	-0.16048107	-0.5299542	-0.035725854	0.9902904	-0.7484611	0.33931115	-0.37768286	-0.012523176	-0.09229791	0.61192626	-0.71593696	0.75699264	0.31514013	0.23478091	0.65829945	0.9989002	-0.4414121	-0.31701735	-0.18275633	0.015523327	-0.6742002	0.9997407	-0.22640662	0.14543067	-0.29331878	0.3944557	0.37325713	0.6773387	-0.99900985	-0.19974345	-0.77151144	-0.63886553	-0.52257246	-0.23216899
377	1	ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl	-0.31475836	-0.521	0.1747881	0.40014893	-0.5593155	-0.5464482	-0.23663822	0.15939796	0.23745504	-0.9612717	-0.42829233	-0.16920593	-0.0801914	0.5373987	0.30971223	-0.93284625	-0.6431946	-0.086243995	0.15268703	-0.063940115	0.30778232	-0.3903476	0.61398864	-0.22661622	-0.15187359	0.6419551	-0.34307867	0.3699933	0.93649906	0.027533336	0.46959838	0.6898101	-0.1551831	-0.003354615	0.52391714	0.39678267	0.1530435	0.1456918	0.99745464	-0.9126401	-0.4557913	0.056804907	0.44413608	-0.65890104	-0.07961172	-0.8230822	0.1970123	-0.6397156	0.9990406	-0.64553833	-0.59945226	0.25101003	-0.40995723	-0.26901603	-0.9595495	0.52064097	-0.77858514	-0.37475663	-0.008919951	0.10363428	0.7516208	-0.002529079	-0.02282884	0.19696233	0.13733436	0.4840299	-0.31722495	-0.47140652	0.7223381	-0.33412954	0.8875974	0.56984156	0.048900057	0.8484541	0.8992908	-0.8483353	0.1632812	-0.27630132	-0.7332984	-0.99726754	-0.60300106	-0.23786014	-0.3459915	0.27136347	0.61361897	-0.83367854	0.5045462	-0.14271931	-0.5432353	0.56067634	0.07459047	-0.28242975	0.6286891	0.3136417	0.47308925	-0.29934865	0.87323475	-0.1322329	0.06940337	-0.7286131	0.663911	-0.4776176	0.7619074	-0.44116735	-0.9781676	0.9100871	-0.49834684	0.39576584	0.99010885	-0.37603694	-0.23879953	0.1451136	0.029109336	-0.61184114	0.4985472	-0.08057057	0.088951156	0.86837363	0.9977379	-0.27636576	0.439587	0.22784342	-0.4064492	-0.29270092	0.40925145	0.08699862	0.569031	0.7190923	-0.35606223	0.99994224	-0.20569609	-0.071994096	0.8204055	0.13062823	0.94220656	-0.89453346	0.7953518	0.41539788	0.42042962	-0.3280012	-0.99872684	-0.42309773	0.9917664	-0.001320696	0.568452	0.03861083	-0.08261197	0.72500193	-0.71938956	-0.48166925	-0.54806304	-0.74331224	0.83261746	-0.49429876	-0.6423498	-0.08890811	-0.09685385	0.8012555	-0.9219283	-0.9346663	-0.7894579	-0.40100795	0.46795398	0.40205428	0.64462507	-0.16666888	0.591409	-0.40405098	-0.30768654	0.10047131	-0.94682086	-0.022712147	-0.13536227	0.44424778	-0.19008692	-0.8814042	-0.4750155	0.6897438	0.72343296	0.06073232	-0.2584003	0.8461593	0.3248515	-0.13324729	0.30110228	-0.67075896	0.32513905	0.6692514	-0.3615571	-0.6097196	0.46292457	0.34991163	-0.20082414	-0.5903069	-0.39763388	0.3679959	0.40442285	-0.4235874	0.29059494	0.77175933	0.13721053	0.6797169	-0.39052403	-0.56992567	-0.069524914	-0.42715576	0.08296691	-0.11126979	0.5596844	-0.9997849	-0.5380166	-0.011564487	0.36419636	0.16192916	-0.07716343	-0.39087528	0.008122107	-0.7705472	0.4834916	-0.4391577	0.4466069	-0.43693238	-0.6447076	0.34711564	-0.98282933	0.5914182	0.7901876	0.6007628	0.113579266	0.36763072	-0.64563876	-0.4516242	-0.061414815	-0.42480582	0.26755497	-0.1279339	0.6978875	0.38273716	-0.7115818	-0.8118136	0.77131623	0.41539428	0.6078756	-0.26041776	-0.8275764	0.20036094	0.4343625	-0.6677655	-0.49532974	-0.87982637	-0.17630607	-0.8508099	-0.16506265	-0.26027623	-0.6113947	-0.63576174	0.27818066	-0.17428616	-0.46520755	0.5471444	-0.57065153	0.16333543	0.49493623	-0.5677901	-0.07069806	-0.31881946	-0.35283774	-0.7062792	0.9236973	0.5003705	-0.43830487	0.99980325	0.051490705	-0.38276458	-0.36627212	0.7812195	-0.31255656	-0.8899688	0.08932156	-0.92617214	0.63200086	0.9980881	0.3957833	0.6573366	0.24122934	-0.29285774	-0.83494776	0.89508384	0.8148006	-0.13568339	-0.60346997	0.98544025	-0.3940882	0.69711024	0.20266101	0.44206297	0.9999719	-0.9981557	0.31097415	0.34902343	-0.13144313	-0.48489347	0.6450886	0.29157305	-0.7447137	-0.936634	-0.079303905	0.7053919	-0.6383281	-0.6342491	0.39440158	-0.42462462	0.6428195	0.067748584	0.9513356	-0.68642765	-0.75054413	0.49475715	-0.9998739	-0.15078627	-0.12954627	0.5464401	0.8398851	0.17909048	-0.76729995	-0.68108	-0.025297506	-0.9177597	0.35610542	0.40562963	-0.49786273	-0.18811843	-0.13986711	0.40501678	0.27499083	0.9794042	-0.31964827	0.21722253	-0.6227831	0.22711039	-0.3827629	-0.95059854	0.3515183	-0.8356997	0.28233775	0.62391025	0.09266302	0.26367983	-0.4565566	-0.29024014	-0.9606274	0.12054895	0.58475447	-0.39269102	0.7174917	0.45299092	0.20686556	0.9996646	-0.2003739	0.49601418	-0.37459102	-0.4016205	0.52947164	0.6601716	-0.9411529	0.06356207	0.8212574	0.9669491	-0.67707765	0.1418409	-0.3437479	0.53960294	0.76834255	0.15468313	0.068606496	-0.97498834	-0.26690707	-0.39478973	0.13349433	-0.6034619	-0.9474983	0.108242355	-0.29985908	-0.15508275	-0.78259885	-0.13712893	-0.69563025	0.48587987	0.15900892	-0.67011875	0.07495931	0.23729065	0.13681577	-0.2503981	0.3453058	-0.521448	-0.062816285	-0.8193675	0.9528883	-0.88701475	-0.89227146	0.06363714	-0.5777851	0.5951826	-0.13664998	-0.34346077	-0.21571323	-0.5774001	-0.6026119	0.43904766	0.8058378	0.07382663	0.26382428	0.16255316	0.3305282	0.40452114	0.9999988	0.06684505	-0.796844	0.63948953	0.9950155	-0.4535463	-0.51131105	-0.999823	0.1995782	0.42127168	0.34579504	-0.6096279	-0.078518905	-0.08320193	0.42229313	-0.8854563	-0.5063622	0.24394424	-0.3079268	0.08019987	0.102591485	0.3976207	-0.9999968	0.9999925	-0.962451	0.5383304	0.20306526	0.78375924	0.05467659	-0.65142727	-0.80255365	0.617959	-0.39831987	0.38176286	-0.5508664	-0.4466965	-0.24954225	-0.036288105	-0.50281274	0.40652847	-0.66487294	-0.19348373	-0.9999079	0.22859989	0.4202773	0.30339915	0.10502735	0.094833	-0.99619263	-0.7217108	-0.07602131	0.3997459	0.42529422	-0.11743538	0.08499073	-0.5348344	-0.33957157	-0.062298775	0.14868283	0.23330325	0.520894	0.024332078	-0.4555374	0.34656698	-0.6711612	-0.9369584	-0.999745	0.1506678	-0.02721796	-0.008363305	0.6912884	0.30974793	-0.6111757	-0.772755	0.13581559	-0.05087712	0.19225138	0.94618464	-0.2342565	-0.082709275	-0.39567375	0.29203615	-0.24871892	0.99947774	0.40632385	-0.53564024	-0.34101635	0.2934229	0.43890408	0.30700383	-0.99282986	-0.53445053	0.53384423	0.9058386	0.54902935	-0.17275663
378	0	CCCCCCC(=O)O	-0.7747869	0.08628395	-0.8134019	0.47105736	-0.059117176	0.07560986	-0.26863006	-0.3956546	0.15347867	-0.053245332	-0.522678	-0.15057471	-0.22953233	-0.666348	0.69705683	0.2991321	0.43918556	-0.1977625	0.2783331	-0.32597005	0.665477	-0.864868	-0.08023274	-0.06341061	0.12798187	-0.19118892	0.2660021	-0.2200357	-0.21199293	-0.17906731	0.10500121	0.8650558	0.5862741	-0.2409426	0.34895983	-0.793449	-0.0982072	0.64135337	-0.92612195	-0.79094076	-0.99641806	-0.61364716	0.047508933	-0.35729936	0.31022173	-0.9947007	-0.032362953	0.21638653	0.96807975	0.036558066	0.64166564	0.372587	0.15715596	0.42899638	-0.9114192	-0.2976835	0.8872062	0.98124146	0.28384832	0.006147634	-0.50878763	-0.48686275	0.31897253	0.23585315	0.5645165	0.29861286	0.023935772	0.2930798	0.25822297	-0.2506315	0.8043843	-0.985403	-0.119764835	0.84511614	0.024882209	0.7149436	-0.3470119	0.17656128	0.21339008	-0.99988985	-0.568089	0.1811461	-0.50925905	-0.51966774	0.6798711	0.7259263	0.51543134	0.641229	0.13937433	-0.706444	0.06564742	0.075097464	0.36607832	-0.02096843	0.8844773	-0.45502666	-0.016374663	-0.10940069	0.54913807	-0.523959	0.5289638	-0.27708176	0.366905	-0.67415076	0.99227697	0.44555026	0.43868834	-0.0551626	-0.875739	0.52956766	0.32016736	-0.21503463	0.296552	-0.16419235	-0.08854013	0.4981686	0.08859169	-0.07040631	0.99588746	0.42967838	0.29999092	0.050006885	-0.19048513	-0.121179365	-0.41512486	0.34043306	0.052888755	0.0907032	0.3030704	0.9994013	0.30171183	0.23878026	0.012417922	0.19868891	-0.48845938	-0.085208066	-0.27873716	0.071488045	-0.40748432	0.4235117	0.99959403	-0.09247455	0.9725887	0.19970062	-0.27414945	0.38986894	0.28937593	-0.07278852	0.9978194	0.66968286	-0.10873915	-0.6466177	0.27662656	0.48951736	0.25599575	0.122543745	-0.056892745	0.99883294	0.15989102	-0.87264585	-0.9846807	0.21494399	-0.052765124	0.1819096	0.08310399	-0.36653504	-0.22173217	0.029092858	-0.4013353	-0.16852066	-0.5091867	0.12739378	0.2365459	-0.3770374	0.77886814	-0.9801289	-0.4741169	0.06338776	-0.5827268	0.08657017	-0.03495311	-0.8398569	0.4096088	0.05468729	-0.96436125	-0.16415553	-0.34608242	0.33545083	-0.42943934	0.5530187	-0.35244343	0.5777796	0.33542344	0.3653694	0.0662049	-0.25745606	0.43931064	-0.5880867	-0.19746576	-0.00671078	-0.494928	-0.55274004	-0.14288455	0.3360356	0.14348595	0.1043468	-0.23591526	-0.12224024	-0.16833366	0.3538621	-0.45263013	0.1160635	-0.2080241	-0.76511854	0.053335592	0.043604005	-0.4671677	0.19500607	0.38925135	0.15829672	-0.4074764	0.14260785	-0.102251954	-0.30397755	0.99706274	0.554436	-0.1371042	-0.19636826	-0.11198306	-0.7155518	0.38902363	-0.5310717	0.58423525	-0.15027775	-0.11574691	-0.31082118	0.004646832	-0.21286444	0.17714512	-0.40869418	0.86950207	-0.29104045	-0.21488678	-0.30803996	-0.4550737	-0.27621365	-0.08785559	0.29969782	-0.4722569	0.06468701	0.40016845	-0.9996042	-0.45926455	-0.17461027	-0.3968335	0.15352733	-0.24808176	-0.02529648	0.13193798	-0.29945993	-0.3715714	0.65059394	-0.25425872	-0.5618877	0.05294293	0.3850291	0.50265527	-0.18106565	0.42675307	-0.025845475	-0.43672436	-0.9833533	-0.002598373	-0.25125396	0.23516592	0.35812053	-0.1203112	-0.38113806	-0.22189917	0.84082407	-0.5854914	0.9980496	-0.29321355	0.61477804	0.006039266	0.38581887	-0.3254368	-0.57567996	0.028460152	0.37596864	-0.29204604	0.99851424	-0.47179726	0.52414906	0.019442292	0.60429347	-0.9962705	-0.89221746	-0.22577547	0.07197791	-0.31699866	0.09687161	0.2731197	0.3683445	-0.102360345	-0.49350393	0.9990051	0.25016293	-0.20655054	-0.23256432	0.23690552	0.5858346	0.20508067	0.0515785	0.34066448	0.11493271	0.06582536	-0.18151341	-0.95544356	-0.6237231	-0.5430291	0.54176205	-0.24877945	-0.8167999	-0.35096097	-0.567508	0.40232506	-0.96868664	0.19962172	0.17340294	0.2914743	0.03345811	0.5142055	0.062462173	0.4945542	0.22399887	0.121848665	0.001643393	0.35067424	-0.2490958	0.53994143	0.36927918	0.21185206	0.7617513	0.32365102	0.5698921	0.06464121	-0.020976065	0.33977523	0.97026765	-0.993645	0.029299019	-0.5913416	-0.11265128	0.20494278	-0.10145709	0.2812493	0.9188398	-0.7058191	-0.30866304	-0.13278058	0.20396079	0.31382433	-0.07189466	-0.24737671	0.45060724	-0.10862548	-0.82671005	-0.40609285	0.09812877	-0.1745081	-0.7054491	-0.7568906	0.9686102	0.31115043	1	-0.24185108	0.41233557	0.37670863	-0.33701867	-0.8886758	-0.1851515	0.7309122	0.13265637	0.36976996	-0.4701311	0.2158335	0.40487033	-0.13867009	0.103137225	-0.001602222	-0.33612543	-0.46844086	-0.44928026	-0.359952	-0.57298404	0.41835582	0.19017719	-0.117702335	0.7103193	-0.85892934	0.07965497	-0.41334954	-0.38526693	-0.34503064	-0.27319562	-0.48207793	0.19493493	-0.20165315	-0.17159504	0.56418365	-0.24118522	-0.26981232	-0.37928754	0.34488764	-0.3706185	0.99985516	0.20155631	-0.8105019	-0.31639224	0.9842738	-0.07257572	-0.48777056	-0.9972836	-0.35595736	0.24302611	-0.34259307	0.17185129	0.14484018	0.13412754	0.12829852	0.19926377	0.07308074	-0.34622765	0.12542349	-0.18114911	-0.09171217	-0.021795712	-0.9994473	-1	-0.992949	0.13323905	0.05008667	0.25886545	0.4192937	-0.2765793	0.29006487	-0.21838468	0.41764945	-0.06396265	-0.19955692	-0.036093436	0.24170893	0.036282673	0.072500534	-0.11179167	-0.009483101	-0.9936675	-0.99933517	-0.57528126	-0.5425312	0.6386437	0.37981883	0.23735437	-0.9496504	-0.48910493	-0.3265523	-0.10429906	-0.0633038	-0.031097386	0.41547358	-0.9130272	0.4929687	0.76809704	0.22068512	-0.16219689	-0.16622528	-0.8603932	0.57397026	-0.27992868	-0.24797556	0.71713877	-0.35533527	0.23725335	0.021283258	0.25913385	-0.49504724	-0.1394885	0.062093083	-0.5602442	-0.3530153	0.22720326	0.31189126	-0.9834259	-0.09426183	-0.5518684	0.03151932	0.006180626	0.21940097	0.9998091	0.14330022	-0.07377544	0.15190555	0.18809946	0.0324899	0.3292331	0.9189668	-0.30647397	-0.2716622	-0.32701704	0.8982193	0.024474105
379	0	ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl	-0.122020505	-0.17348073	-0.24277765	0.49662447	-0.39135602	-0.7263629	-0.2945512	0.17554975	0.2348597	-0.77158546	-0.68721277	-0.20479335	-0.42424265	0.2006425	0.6722033	-0.9613206	-0.5883767	-0.2843893	0.3084353	-0.38089797	0.65870374	-0.5258736	0.880592	-0.52109826	0.27359757	0.51000226	-0.11046772	0.05082204	0.93686956	-0.41530713	0.12721084	0.88054866	-0.15709825	0.33129248	0.15457198	0.2816899	-0.020304415	0.465011	0.7903567	-0.9643903	-0.98072976	0.084827565	0.26435667	-0.34814838	0.2034573	-0.98937404	-0.24102005	-0.024046928	0.99900967	-0.41729915	-0.59638304	0.8074969	0.055925176	-0.3829943	-0.9329434	0.30500862	-0.82618463	0.7795606	-0.20415099	0.32324165	0.49573886	-0.4622074	-0.5426029	0.068153515	-0.2711119	0.71576667	0.27133372	0.05949192	0.4777616	-0.3032799	0.96671575	0.091784544	0.25357458	0.64167047	0.8931027	-0.78506196	0.3809854	-0.035809807	-0.7026279	-0.9858946	-0.5804908	-0.29091853	0.764129	0.46000808	0.5093131	-0.47146076	0.31799793	0.40545252	-0.6741014	-0.26995477	0.005049659	0.20414916	0.7841332	0.2474897	-0.5539255	-0.32427067	0.59476936	0.2946649	0.6195112	-0.7849762	0.6372163	-0.27886072	0.84001976	-0.8439317	0.5036806	0.58099365	-0.39188445	0.26124486	0.9916423	0.28624707	-0.5070054	-0.017697636	-0.22972813	-0.60398144	0.16888413	0.013460242	0.000141866	0.8291458	0.99955803	-0.7463289	0.2630787	0.57243496	-0.41932607	-0.4237871	-0.09633948	0.18785843	0.29361847	0.15885702	-0.28312334	0.9998377	-0.13013639	-0.37825462	0.836605	-0.09591544	0.78213435	-0.9316615	0.6354559	0.48795784	-0.15106675	-0.2412247	-0.9933841	-0.041488007	0.99844354	-0.053689584	0.1427715	-0.18212043	0.34149945	0.25476882	0.9584867	-0.52154446	-0.4507865	-0.7062992	0.25089175	-0.47502095	-0.36427665	0.09336815	-0.055932198	0.9983073	-0.9339204	-0.96346366	-0.96475565	-0.5109092	0.37438935	0.56912446	0.87527514	0.34040487	0.35815632	-0.70200604	-0.3132505	-0.2944446	-0.95859784	-0.15280217	-0.3064151	0.16230227	0.13611853	-0.90886706	-0.888845	0.22250937	0.031057438	0.17517701	0.32499862	0.8857746	-0.10120692	-0.1683718	-0.6998309	-0.52656037	0.6025204	0.45867586	-0.09438711	-0.48535857	0.792025	0.107629	-0.11879218	0.021648591	-0.21394709	0.095002696	0.62691003	-0.4097532	-0.32366455	0.7694313	-0.48460206	0.7773478	-0.6331841	-0.6150284	-0.047465064	-0.5994691	0.61425585	0.23381177	0.5787277	-0.99108773	-0.38135776	0.21720299	-0.10082719	0.08829378	-0.6110758	-0.5097208	0.36633074	-0.6337283	-0.29042912	-0.43291837	0.39194366	-0.45114318	-0.3055507	-0.10087199	-0.9772751	0.08104621	0.73699003	0.45446214	0.44798553	-0.29148695	-0.67627925	-0.102082364	-0.30955	-0.40392673	0.56231546	-0.054328974	0.67806196	0.26792917	-0.6839133	-0.3499024	0.8800509	0.6085819	0.38918266	-0.25500008	-0.5750348	-0.30920798	0.39889598	-0.7977234	0.37071434	-0.9081163	-0.22931704	-0.99866873	-0.41391176	-0.001461155	-0.57590085	-0.45218185	0.36910352	-0.037162963	-0.50691545	0.3937853	-0.44567892	0.7289172	0.7062731	-0.749997	0.20763731	-0.49776343	0.008799399	-0.3107255	0.52798325	0.60182434	-0.3824786	0.96578664	0.12717955	0.091078445	-0.027324203	0.9333689	-0.22653113	-0.8772224	0.33365524	-0.8923452	0.66570383	0.99918467	0.3886292	0.6377291	0.12068112	-0.46912238	-0.5730593	0.81279874	0.8431343	-0.23578158	-0.7773984	0.9994401	-0.27246964	0.7933185	-0.09603695	0.30538005	0.9983701	-0.99321145	-0.23695454	0.58283275	-0.003693961	-0.64395267	0.45338205	0.5701008	-0.5179809	-0.70392406	0.9943294	0.8228558	-0.803886	-0.47137532	0.59142315	-0.6892321	0.32664394	0.45465395	0.96567214	-0.64312977	-0.09062569	0.6049984	-0.99990106	-0.08744098	-0.059873514	0.3058543	0.58373237	0.12031776	-0.804442	-0.7052093	-0.29615545	-0.96147686	0.46103108	0.16261858	-0.5368805	-0.27075636	-0.14889929	-0.067465395	0.38662127	0.97081065	-0.23294647	0.3729548	-0.63721025	0.36555752	-0.06591663	-0.9604311	-0.12459734	-0.6027092	-0.09774445	0.24382187	-0.5508158	-0.36180094	-0.010449406	0.8782096	-0.99212426	-0.4575209	0.659269	-0.59939635	0.5212949	0.25249803	-0.20108923	0.99935514	-0.5201175	0.076234944	-0.37659875	0.02205935	0.37382194	0.39694515	-0.8285543	-0.45361602	0.6854022	0.88904655	-0.79318607	0.02222921	-0.4948162	0.51445806	0.7658088	0.8022581	0.43854737	1	0.32745704	-0.53698605	-0.5346068	-0.63186175	-0.9899109	0.088645324	-0.17597455	-0.3775124	-0.74069285	-0.19750157	-0.63067096	0.38854375	-0.44772133	0.3655535	0.11925703	-0.22980978	-0.31201777	0.18838902	0.26065987	-0.72198766	-0.21277957	-0.6598333	0.9209112	-0.8659959	-0.9789513	-0.37016782	-0.3359612	0.4442241	-0.41869593	-0.12280401	-0.33009088	-0.16127722	-0.3026264	0.29290512	0.8765931	0.5423149	0.5120273	0.06523312	0.34334907	0.69069785	0.9999996	0.028625332	-0.4258172	0.7425318	0.9987182	-0.20920283	-0.51468754	-0.99989784	-0.22952124	0.5276979	0.7187628	-0.550914	0.14904496	-0.4077921	0.38016886	-0.64480233	-0.107611164	-0.11858616	-0.31655398	0.17528221	0.21350051	0.10777102	-0.9999928	-0.9990891	-0.9980085	0.063157395	0.63520795	0.013323388	0.48946387	-0.64706767	-0.8928438	0.54155046	0.22486049	0.5479259	-0.7309612	-0.08698628	-0.06902703	-0.1096201	0.27734038	0.12619588	-0.78985393	-0.97078305	-0.9999067	0.22715494	0.5991893	0.12057491	0.35023502	0.4876753	-0.99814916	-0.5101207	0.10952222	-0.06945756	0.17195928	-0.24532288	0.36296695	-0.13554546	0.06213778	0.07216915	-0.4029906	0.36574146	-0.053913753	-0.3601384	-0.6855276	0.3401281	-0.7156191	-0.8320261	-0.9985164	0.32581532	-0.67335975	0.07889533	0.12489163	0.60041183	-0.39722106	-0.16616346	0.16793312	0.19013289	0.055401698	-0.6795991	-0.0809927	-0.09908979	-0.38138306	-0.19179177	0.30952623	0.9996069	0.8951883	-0.37711346	0.6836439	0.2899839	0.18544067	0.43510884	-0.4396884	-0.11147819	0.5570451	0.94857246	0.47000214	-0.47178555
380	1	CCCCC(O)(Cn1cncn1)c1ccc(Cl)cc1Cl	-0.48518172	-0.2720951	0.4611914	-0.16186638	-0.055923697	-0.19027348	-0.6542631	-0.33790207	-0.10176342	-0.3444223	-0.40805826	0.010899305	0.015799899	-0.7118461	0.02729978	-0.11686071	0.7667331	-0.40337053	-0.6489369	-0.06867251	0.2805709	-0.2630592	-0.61375207	-0.13030596	-0.2096231	0.09059173	0.45516807	0.10958821	0.2783326	-0.22922577	0.40842447	-0.24342437	0.69364905	0.5574521	-0.2901177	-0.20535745	0.607942	-0.027659807	0.9922629	-0.7860487	-0.68172055	0.55821425	-0.14807768	0.14545776	-0.43705553	-0.8757383	0.1032593	0.33017376	0.60739964	0.29449007	0.7055672	0.21063884	0.03171322	-0.040498447	-0.8008048	0.15943342	0.020369986	0.37753928	0.64422977	0.23583762	-0.074280895	0.4762421	-0.24859154	0.2692719	-0.2683289	0.15516317	0.06543496	0.6770167	0.44543126	-0.4800136	-0.8720049	-0.90089333	0.44000733	-0.10823958	0.7203301	-0.27497134	0.26610819	0.56517935	-0.67927545	-0.9981748	0.1123917	0.32079425	-0.93264574	0.61866957	0.22576387	-0.83777916	0.2335903	-0.25198904	-0.16218196	0.38073334	0.10622178	0.46227342	0.44666246	-0.32135952	0.9926171	-0.2613348	0.56491125	-0.50211155	-0.001731934	-0.1396827	0.2523495	-0.22994581	0.16859148	0.8668709	-0.8890164	-0.8359438	-0.21078585	0.22868758	-0.83121026	-0.15954413	0.6745399	0.040049527	-0.6282236	0.07264084	-0.50786	0.58750015	-0.611499	-0.07239304	0.9956498	-0.23479953	-0.81656265	-0.2812212	-0.27211857	-0.095645115	-0.5363196	-0.21702889	0.3965021	-0.36622897	-0.4255641	0.9997287	0.6560014	0.2413268	0.24634463	0.2611959	0.14204496	-0.94864297	-0.11113815	0.41059738	0.1099863	-0.6727274	-0.999863	-0.5784871	0.93195325	0.20354669	0.43829647	0.12058853	0.36046085	-0.19429179	0.07216946	-0.18013138	-0.19108318	-0.8464258	0.13029958	0.006227368	-0.19538604	0.39070776	0.6140482	0.89767236	-0.6211817	-0.38409188	-0.9392841	-0.631009	-0.46399197	-0.86272764	0.39445677	0.62253296	-0.22556615	-0.13873543	0.2245924	-0.026336579	0.10971783	0.499218	-0.57542616	0.12539034	0.2578204	-0.48944813	-0.5468047	0.49406695	-0.6045791	0.4965138	0.31338897	-0.52166396	0.34259957	-0.31204468	0.028969938	-0.09525486	-0.008099743	0.5524161	-0.68745947	-0.39288425	-0.55240446	-0.6931877	-0.37733	0.19161457	-0.054019347	0.10224614	0.74923897	-0.5069205	0.11046926	0.7603063	-0.45439485	-0.57139343	0.10897924	-0.16301046	0.21185479	0.014782568	0.20869464	-0.34417814	-0.3755058	-0.99971277	-0.1550139	0.19446047	-0.23860447	-0.19135019	0.1275784	0.24731575	-0.14510413	0.28493595	-0.15867376	0.08719711	0.32080522	0.077198386	0.57320285	-0.28276893	0.9817104	0.1320154	-0.03763347	0.72608984	0.00435001	0.22522718	0.05896414	-0.74875927	0.51244086	0.009639019	0.74203944	-0.18830024	0.61287403	-0.8700117	-0.3707176	-0.7267208	0.931126	0.0836778	0.057855096	-0.4576949	0.37662184	-0.43230632	-0.4756893	0.09325532	0.099468045	0.7111973	-0.39787564	-0.9706362	0.09198529	-0.044985153	-0.4736949	-0.7149448	0.5468626	0.05933219	0.28765765	-0.23926735	-0.33883798	0.14462943	-0.17857751	-0.21917997	0.32719037	-0.026941536	0.25447315	0.2929403	0.3300904	-0.4749716	-0.113098696	0.98499846	-0.513722	0.3743523	-0.48906115	-0.2962128	0.06871797	-0.60386276	0.37186694	0.04908009	0.67671293	0.9985311	0.18759207	0.25125447	-0.4104844	0.5769524	0.337312	0.67088836	0.06217558	-0.20124663	-0.33630523	0.9902129	-0.023204945	0.7101022	0.03234856	-0.73599	0.9999758	-0.98332775	-0.45142996	0.52136695	0.18896133	0.62158996	-0.41252688	0.3475224	0.7949479	-0.2824821	-0.48765454	0.22250587	0.3447279	0.24411453	-0.33484215	-0.15576275	0.01961532	0.030293144	0.6203599	-0.4368965	0.22471017	0.04984398	-0.9395822	-0.16632009	-0.36409912	0.14845477	0.46742234	-0.71492296	-0.07162094	-0.43695128	0.54150134	-0.74498606	0.6881626	-0.184652	-0.57853276	-0.18953453	0.069232754	0.24081749	0.42914778	0.4083305	0.24614157	0.8937481	0.33562154	0.097276196	-0.43951976	-0.6445956	0.7002076	0.6351208	0.6608405	-0.1894846	-0.83212215	0.62025315	-0.75661993	-0.18833165	-0.97524494	-0.5793755	0.7449132	-0.16668193	0.47147802	0.6384652	0.60153717	0.9998665	-0.4413039	0.18117572	-0.1419084	0.10529819	0.09557699	0.7319355	-0.6686426	-0.10611521	0.64828855	-0.38343158	0.12526014	-0.5897488	-0.12543768	0.18354204	-0.05914961	-0.2599512	0.36014622	0.9952408	0.102099955	0.044454824	0.14895234	0.7501439	0.34476352	0.2410407	-0.27544442	-0.08887376	0.16220039	0.29998097	-0.39300257	0.7199669	-0.30402854	0.50545996	-0.26809385	0.57039696	-0.23309797	0.009497236	0.24258095	-0.6637576	-0.26969108	-0.65242946	0.40614456	-0.31410685	-0.075494304	0.39331552	0.09514703	0.3795948	0.22768542	-0.009264705	-0.67307514	0.22382285	0.07619558	0.5216349	0.07572839	0.36475018	0.60235256	0.2611286	0.64044255	0.16725148	0.999917	-0.60259444	-0.95937854	-0.34899673	0.9990192	-0.7027807	0.026683237	-0.9982887	0.14580564	0.08018762	0.22441015	-0.47669744	0.15205093	0.41203666	0.10726012	-0.2177753	0.026667532	0.09589622	-0.512329	-0.54362243	-0.22738339	-0.24579237	-0.99995404	0.9967281	-0.8028091	-0.59151924	0.5534251	-0.35265753	0.7691882	-0.4335374	-0.36835867	-0.065047786	-0.1755326	0.5913478	-0.4166829	-0.023976604	-0.54530823	-0.03740435	-0.03251394	0.39698777	-0.48732907	-0.23750278	-0.9997756	0.5878178	-0.7208868	-0.1576054	0.37009448	0.15883835	-0.8998615	-0.34435695	-0.7146223	0.2371211	0.18773203	-0.06696694	0.3687962	0.96478194	0.29080936	0.089093186	-0.152709	0.24190731	-0.15477245	-0.37534097	-0.46359256	-0.771256	-0.3633707	-0.21400662	0.08685595	0.10256443	-0.05579339	0.14526363	0.7112435	-0.4545656	0.10094202	0.3710205	-0.75446063	0.42258084	0.21317889	0.96785384	-0.09534192	-0.16811006	-0.3075567	0.2575432	0.47910956	0.99986345	0.67428017	0.076725006	0.13952173	0.4643902	0.4686945	0.4949916	-0.9843249	-0.5314279	0.31938216	0.36767873	-0.08883962	0.42607448
381	0	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c1	0.17564072	0.41871563	-0.3831816	-0.14982593	0.59091693	-0.36421725	-0.41941747	0.31256723	-0.12893075	-0.38632777	0.15646113	-0.12500413	0.22681111	0.5635254	0.52252007	-0.97117877	-0.57488215	0.14986563	-0.11822216	-0.55488884	0.12026759	-0.03981204	0.6025781	0.21292406	-0.3350622	0.43894875	0.7076543	-0.2674821	0.6955322	0.38886377	-0.4946339	0.75737387	0.20018935	-0.16585453	0.08448819	0.5167031	0.37728095	0.55221325	0.9995454	-0.16776529	-0.5491194	0.46025163	-0.053606205	0.113619715	0.42308173	0.6527792	0.6792397	-0.4137465	0.12591289	-0.25349495	0.11640943	-0.35236952	0.41921985	-0.6741203	-0.114361644	0.16545403	-0.7225842	-0.91716397	-0.5017849	0.19208133	0.3329238	-0.45611092	0.07609259	-0.18196338	-0.034113947	0.6315043	-0.07453908	-0.27364168	0.40913332	-0.5066052	-0.9811519	-0.32111907	-0.004407548	-0.5967832	0.45523933	-0.69163376	0.5275669	-0.55693614	-0.2505607	-0.9967607	-0.579005	0.2664561	-0.87567586	-0.085724816	0.64033395	-0.9617788	0.3449414	0.6660732	-0.42817736	0.14727941	-0.6600556	0.12587368	0.43562013	0.097838186	0.9983005	-0.21390513	0.3771045	-0.3514047	0.53009325	-0.5024959	-0.22968945	0.5371473	0.09125497	0.9637806	-0.9994616	-0.5118387	-0.23597793	0.44170475	-0.9995281	0.26504272	-0.3881189	-0.5838026	-0.38092092	-0.0582054	0.39030287	0.7798373	0.643633	0.8748653	0.88782656	-0.13051613	0.62744707	0.5731067	-0.41004086	-0.35786277	-0.47323793	-0.10709423	-0.42368132	-0.5420373	-0.2825677	0.99991864	0.13234518	-0.41629732	0.7392649	0.30456817	-0.2004737	-0.9774347	0.28566402	0.30579588	-0.53002095	0.51698	-0.9999973	0.1973095	0.46062243	0.011634843	-0.27975297	0.03586814	0.5806071	0.31134412	-0.9961532	-0.6406885	-0.6679916	0.9374461	0.233524	-0.17936467	-0.48367554	-0.24057278	-0.00000953	-0.9291243	-0.84315485	0.91994655	0.2378698	-0.3409218	-0.8291113	-0.17991292	0.2118749	-0.3964159	0.20332903	-0.48425767	-0.27555817	0.8708071	-0.00861937	-0.32017183	-0.07031825	0.794165	0.060230825	-0.8326754	-0.4284993	0.006921267	0.21720077	0.17816159	-0.013207831	-0.45699412	-0.73399204	-0.02543605	0.6633297	-0.55679476	0.288681	0.1388998	-0.0467912	-0.8328381	-0.5579208	0.5530043	0.4513242	-0.3021659	-0.030983487	-0.060081296	0.48764095	-0.8561339	0.004037373	-0.36277124	-0.16851567	-0.47750428	-0.52845526	-0.10978626	-0.057615064	-0.7347148	0.60976505	0.36680004	0.42208228	-0.99989253	-0.18613563	0.6264276	-0.02109892	-0.21065168	-0.8922675	0.20574193	-0.22459556	-0.22399497	-0.14044711	0.32373744	0.2149866	0.44557405	-0.5926037	0.19279976	-0.9313996	-0.26003137	0.69586533	0.15484115	-0.34765783	-0.01692917	-0.5912725	0.35268882	-0.5962812	-0.5337593	-0.27302355	0.671188	0.43980455	0.20712341	0.40013003	0.5423112	0.8648004	0.44640887	-0.1889555	-0.5611045	0.09805062	0.26105165	0.8585431	-0.18014744	0.27632585	-0.23857598	0.86847997	-0.9713131	-0.31165996	0.8209255	-0.49540305	-0.026406853	-0.33875284	0.8306546	0.6272135	0.10802423	-0.5959504	-0.001235479	0.31617862	-0.18927553	0.93290174	-0.31504416	0.60653704	0.69273734	0.8923971	0.352221	-0.73339367	0.9968646	0.80875283	-0.083368085	0.773806	0.77814054	0.60945034	0.61169875	0.52437973	-0.6409189	0.010499279	0.96523356	-0.62021834	0.6510729	-0.3724872	-0.06869998	-0.63247675	0.31031325	-0.99869615	-0.349917	-0.36932072	-0.043777384	-0.4264795	-0.23614648	0.123431735	-0.071090065	0.99999356	-0.99286616	0.21848865	0.1542306	0.51224077	-0.65241617	-0.32912883	0.54897296	-0.1232111	0.16719677	-0.9970473	0.5060951	0.842918	0.28797963	0.49170485	-0.62569076	0.13265345	0.02114474	0.74089056	0.100836016	-0.09561821	0.007937143	0.96952516	0.5054728	0.26893952	0.3359998	-0.21118164	-0.6786045	-0.48444405	0.4947856	0.6088433	-0.9698174	-0.5312385	-0.4225404	-0.8356388	-0.6054123	-0.15309767	0.23974226	-0.10822546	0.8182506	0.8159688	-0.5442639	0.39362764	0.19095017	-0.461426	0.41905576	-0.46758497	-0.58583385	-0.14401677	-0.36969227	-0.42216638	0.4546901	-0.26980773	-0.97558945	-0.51211923	-0.35939622	0.43634263	0.06430883	-0.10294562	0.4842619	-0.28402668	0.9998746	0.15164727	-0.7146222	-0.40299642	0.71382725	0.7279027	0.04310634	-0.93959844	-0.19177788	0.61038893	0.07433238	-0.18159305	0.39044648	-0.18733293	0.038039245	0.0817528	-0.21820776	0.09148939	0.9371437	0.18963398	0.24767415	-0.2626446	-0.67407733	-0.26202807	-0.15068409	-0.63886595	-0.043933317	0.43012264	0.35072866	0.078895755	0.55897593	0.13274394	0.58265287	-0.20845294	0.48239976	-0.44800788	0.4723063	0.3777055	-0.80577075	0.5067081	0.09211291	-0.6018003	-0.7791105	0.88972	-0.051738374	-0.62588245	-0.19356377	0.13229889	-0.40942267	0.5219906	-0.61890227	0.6788965	-0.5450274	0.17868195	-0.135947	0.3574687	0.07120071	0.6703543	0.4823479	0.9243008	0.06301835	-0.9625782	0.4729106	0.9994884	-0.88401425	0.57290334	-0.9864039	-0.28617978	-0.8490402	-0.043171965	-0.32714692	0.29216102	0.00187762	0.08489669	-0.90920067	0.7108269	0.5940048	-0.06494278	-0.05655749	-0.24237676	0.3340884	-0.9999688	0.9986773	0.6429465	0.22337054	0.003611624	-0.57725674	-0.5741921	-0.6847241	-0.80888283	-0.21707666	-0.5262475	0.7958782	-0.8845722	-0.2993898	-0.4716644	0.55443937	0.3259862	0.057774834	-0.20429006	0.9597303	-0.99887115	0.02125152	0.18064554	0.16770811	-0.7354502	0.37428346	-0.89211047	-0.20721087	0.6825953	-0.07838438	-0.5453507	0.10405073	0.022562413	0.9526729	0.007683103	0.8330123	-0.66245073	-0.1041889	-0.09071099	-0.5391833	-0.503748	-0.20393562	-0.56859535	-0.75116426	-0.93488955	-0.09531362	0.1213076	-0.36090264	-0.5446002	-0.000725509	-0.33707643	0.7546946	-0.7961253	0.7019439	0.27211568	0.99907255	-0.6159193	-0.23789895	-0.7574234	-0.49323145	-0.04818485	0.9999204	0.8077342	-0.032929935	0.40754992	-0.23104903	-0.39963248	0.78310645	-0.998154	0.4547645	0.068726905	0.7773131	0.14317638	-0.3094725
382	0	O=C(O)CCCCC(=O)O	-0.67151976	-0.13247901	-0.92914456	0.27178916	-0.17672691	0.016404944	0.07623426	-0.2334315	0.56803375	0.4301098	-0.034193303	-0.051841803	-0.39804417	-0.069713004	0.2672428	0.74281913	0.5840914	0.11118092	0.39760557	-0.028794533	0.70641303	-0.8571669	-0.27162242	-0.31630328	0.27541673	-0.051982816	0.35328802	-0.21881922	-0.031419348	0.08205854	0.16854322	0.830926	0.5086963	-0.41795295	0.333245	-0.7117221	-0.30884424	0.32840174	-0.689855	-0.5172751	-0.99053556	-0.41845348	-0.024761494	-0.071444206	0.31646684	-0.99665385	0.2930022	-0.03266539	0.9190975	-0.29932383	0.37046555	0.5058196	0.22268586	-0.041351184	-0.8136532	-0.45245773	0.8534853	0.9761525	-0.17224196	0.43732816	-0.45601195	-0.5735731	0.003950564	0.094630405	0.2682519	-0.056621168	0.228426	-0.20081274	0.3589964	-0.4223276	0.40894812	-0.99868155	-0.01582042	0.8966743	-0.4418846	0.8423811	-0.117680244	-0.114400566	0.23145138	-0.9999525	-0.8073034	-0.52293694	0.34698015	-0.48386526	0.60277414	0.9312487	0.42288524	0.26181287	-0.2565688	-0.37156972	0.05684137	0.5900738	0.06509901	-0.074252665	0.9937649	-0.31418607	-0.72871083	-0.1607579	-0.031711645	0.044445276	0.19130994	-0.21234898	0.12186534	-0.3603684	0.97946674	0.11730363	0.3127367	0.20033874	-0.99936837	0.36162296	-0.6112161	-0.26781455	0.26129547	-0.5222043	0.05601686	0.27132368	0.15485412	0.20150155	0.9990251	0.41089258	0.09540745	0.091246374	-0.40316275	0.5490072	-0.7181699	0.3473537	-0.31086788	0.6583086	0.35592213	0.99164075	0.17085788	0.14945416	0.31053042	-0.26163355	-0.34500304	0.3282044	-0.48198313	-0.37681934	-0.39615238	0.44823796	0.9996062	-0.06517867	0.81998956	0.3825485	0.23924015	0.13981475	0.49894637	-0.36494717	0.9967262	0.46172854	-0.5305046	-0.4957434	0.11503176	0.69018793	-0.33779436	-0.03307294	-0.058692843	0.99917066	0.2080515	-0.6672824	-0.9906553	0.16175458	0.10096391	-0.054723926	-0.20465845	-0.06695202	-0.5718682	0.49496913	-0.3690919	0.040988944	-0.63657874	-0.07939344	0.24875921	0.09079519	0.84239155	-0.9774432	-0.3764139	-0.12703396	-0.3801388	0.42081055	-0.22617811	-0.99479264	0.33543184	0.21221212	-0.8923443	-0.2710194	-0.3831554	0.13903521	-0.066835575	0.61351144	0.17898537	0.24188745	0.21833912	0.04102613	-0.07751444	-0.16520709	0.5857291	0.2819445	-0.27215597	-0.094347835	0.029618235	-0.3857528	-0.41237745	0.19895552	0.6316125	0.51266754	-0.01766381	0.322635	-0.07345427	-0.71379966	0.36971542	0.23657407	0.3484044	-0.61500263	-0.26705152	-0.13097882	-0.2880662	0.32234177	0.15592244	-0.43674776	-0.53527	-0.112626866	0.07775302	0.35646692	0.99999446	0.37167177	-0.555217	-0.020971242	0.13213938	-0.4769058	0.09697472	-0.1228312	0.23179612	-0.22848678	-0.1196485	-0.47128838	-0.308379	-0.17067105	-0.07872783	0.31488946	0.80199945	-0.06362193	0.022076877	-0.627329	-0.73421144	0.18797143	-0.016137961	0.07527903	-0.017551804	-0.13761073	0.63656706	-0.9997745	-0.29392892	0.3540253	-0.09653522	0.10019554	-0.47270298	0.368988	0.2257619	-0.4382672	-0.007038998	0.40011266	0.03980489	-0.53962386	0.22667696	0.5554875	0.28871867	0.5032468	0.49005708	-0.4915937	-0.24612808	-0.91712993	0.3450537	0.21752489	0.30548733	0.91401416	-0.052595213	-0.29632732	-0.23209749	0.6163553	-0.3847779	0.9991434	-0.31105956	0.59266895	0.102688864	-0.057013236	-0.56391984	-0.9475874	-0.79820573	0.24104807	-0.14092864	0.99947375	-0.28412262	0.3398917	0.1101158	0.7679222	-0.9970062	-0.2785359	-0.22632554	0.25991836	0.113364756	-0.6692641	-0.04314759	0.5182615	-0.47110322	-0.17445475	0.99791884	-0.15479368	-0.020051386	0.028830042	-0.3150554	0.3308955	-0.3521704	0.2128079	-0.7559272	0.4368995	0.039117835	-0.3902409	0.9321707	-0.5030914	-0.4062818	0.4968592	0.071443684	-0.60792524	-0.26324385	0.2733621	-0.044405747	-0.9168397	0.001994493	-0.2607559	0.68265903	0.35713768	0.16632552	-0.4180942	0.43817955	-0.8422989	-0.38335267	-0.001906779	-0.19105132	0.025110891	0.7779497	0.38383743	-0.4945652	0.7824288	0.13743697	-0.08730537	0.17253837	0.02914892	0.54167247	0.96526814	-0.99395657	0.29073712	-0.36362374	0.300753	-0.057478994	-0.04844064	-0.51355696	0.99068886	-0.48661995	0.65852976	-0.093884006	-0.009370353	0.21945068	0.24596661	0.22413577	-0.105249815	-0.01808309	-0.5476109	-0.037909515	0.09596455	0.30144432	-0.35471874	-0.66530573	0.9524413	0.10557268	1	0.11188666	-0.050480478	0.35787743	-0.7816067	-0.86998665	-0.58865297	0.8071595	-0.11991029	0.3986519	-0.26819897	0.48193765	-0.2414084	-0.13411115	0.14121847	-0.44229838	-0.047278374	-0.5535452	0.11409886	-0.26493135	-0.8184986	0.72101647	0.84900934	-0.1850606	0.8228982	0.059895556	-0.3226792	0.17927033	-0.49241164	-0.43797866	-0.15211843	-0.47914103	0.3208457	-0.3610057	-0.08876824	0.32100976	-0.07793183	-0.54170144	-0.24606836	0.19176535	-0.4539854	0.8821673	0.2527821	-0.84287107	-0.1818236	0.99841535	-0.050540145	0.09082167	-0.9375306	-0.36607605	0.42798242	-0.7238781	0.17341894	-0.4801576	0.051050898	0.23024586	0.7516463	0.12697311	-0.195484	-0.29104957	-0.4756842	-0.24353366	0.069556125	-0.9998295	-1	-0.9947024	-0.18880366	-0.31089252	0.6567143	0.48279223	-0.2942139	0.37924853	-0.07807309	0.006124851	-0.33493787	0.010568735	-0.21773945	0.38363373	0.6127824	-0.36303535	-0.52661455	-0.011468345	-0.9941579	-0.99979216	-0.43777132	-0.3646777	0.6872136	-0.07169701	0.19245902	-0.38535458	0.060722835	-0.4458464	-0.036748093	0.23153372	0.42128876	0.6253407	-0.9264034	0.27574208	0.7303405	0.11641221	-0.8236661	0.2055558	-0.8725277	0.45802754	0.001723476	0.06347284	0.931678	-0.66749585	0.7049964	-0.017316528	0.11362691	-0.28404307	0.012162764	0.46671763	-0.38853544	-0.39712313	-0.0954085	-0.06336574	-0.9467364	-0.019405399	-0.5466221	0.11473161	-0.040021244	0.14963408	0.9999832	0.13723794	-0.44368035	0.04091669	-0.09259135	0.13019143	0.13414277	0.5846013	-0.3045494	-0.23856062	-0.45548454	0.8659999	0.11544727
383	0	CCCCCC(=O)O	-0.7782792	0.10762881	-0.81881666	0.55745345	0.14877228	0.09827661	-0.21011096	-0.23671357	0.18482347	-0.04255052	-0.48407912	-0.37133396	-0.15773568	-0.52861804	0.5577383	0.21448877	0.371629	-0.21157542	0.02127297	-0.23630038	0.67969257	-0.8626762	0.20018119	-0.26802385	0.2177937	-0.25531688	0.16319644	-0.32607117	-0.1266023	-0.07924202	0.17448165	0.85069287	0.65949845	-0.3142396	0.1982594	-0.6336137	-0.13896154	0.62324244	-0.9441994	-0.7532847	-0.9955391	-0.7358559	-0.031062426	-0.39124218	0.34977046	-0.9937166	-0.011783049	0.070432946	0.9677529	0.11341766	0.6308529	0.31423178	-0.06756705	0.51763564	-0.91701937	-0.2046227	0.81302094	0.9762815	0.3241261	0.106601305	-0.4177387	-0.5511917	0.29436624	-0.062968634	0.5749373	0.40528882	-0.005801415	0.12494489	0.20227875	-0.43093565	0.8132818	-0.99002695	0.009608091	0.85332745	-0.20141907	0.7562265	-0.10524812	0.26586074	0.34861565	-0.9998764	-0.63704383	0.09181505	-0.44991684	-0.33677706	0.71985346	0.82280815	0.59182644	0.3668477	0.31904888	-0.6593733	0.1072797	0.27677152	0.13632543	-0.33745307	0.8111546	-0.5038197	-0.16480379	-0.17827412	0.49957487	-0.15098104	0.4548151	-0.14524604	0.1930374	-0.84778935	0.9927193	0.45406651	0.4149669	0.034239084	-0.9010046	0.59204006	0.1472146	-0.4852585	0.20231526	-0.3424	-0.0461356	0.48561585	0.08374097	-0.002270937	0.9947774	0.352627	0.2570199	-0.11809057	0.020488061	-0.11386324	-0.37951285	0.41312152	0.09930788	0.09240832	0.2050223	0.9989189	0.3278045	0.15978478	-0.13608246	-0.1663343	-0.2589155	0.09488366	-0.30234742	-0.07533339	-0.25966537	0.28377324	0.9994123	0.12615643	0.9645507	0.2984442	0.033191185	0.44273826	0.3530007	-0.2624147	0.9972997	0.7462604	-0.39658353	-0.5592931	0.25233722	0.46532124	0.11159573	0.13249016	0.05504967	0.99845904	0.2750841	-0.86542803	-0.98382837	0.30423528	-0.2693329	0.13956015	0.1687318	-0.3603151	0.03533163	0.38518324	-0.22485818	-0.051577937	-0.5901606	0.009555746	0.37343642	-0.3506813	0.8360014	-0.97688806	-0.5511735	-0.046142817	-0.52101827	0.0869641	0.13837656	-0.8404698	0.20148052	0.094311364	-0.96304494	-0.2264067	-0.32063475	0.47847468	-0.36476552	0.59189254	-0.2534359	0.6399978	0.28828079	0.3533081	0.17384422	-0.26732802	0.46123645	-0.6155042	-0.21131939	0.2844086	-0.35710365	-0.57564014	-0.24394006	0.07363961	0.16009259	-0.042557012	-0.2498564	-0.001451692	-0.295266	0.70948243	-0.4168744	-0.07945292	-0.10333659	-0.75874436	0.12621522	0.16921325	-0.43456605	0.09873307	0.27832538	0.074270226	-0.014241518	0.3419643	0.06483217	0.007256728	0.997614	0.57120043	-0.19878733	-0.11973609	-0.12540421	-0.7716891	0.35495427	-0.46475533	0.5429181	-0.24172774	-0.02157716	-0.41203612	-0.06321435	-0.0781143	0.18525212	-0.3963553	0.8520445	-0.16654398	-0.28563836	-0.4437996	-0.2786988	-0.5044615	0.06041822	0.09590252	-0.5851441	0.16692688	0.466766	-0.9994039	-0.18355078	-0.2715941	-0.47757164	0.103875406	-0.34216547	0.005828671	0.2246579	-0.27146858	-0.38946164	0.66308963	-0.26827288	-0.33895928	0.13540262	0.43727756	0.44371992	0.005867998	0.3972426	-0.28814933	-0.43265668	-0.98510164	-0.018081661	-0.25899047	0.34161398	0.37881404	0.11115768	-0.2347057	-0.20012921	0.8432882	-0.56429124	0.9971656	-0.1105139	0.68282866	-0.13906452	0.5556603	-0.3637157	-0.68608254	-0.08574451	0.22932003	-0.2461012	0.9976768	-0.48199508	0.639287	0.1929184	0.46980587	-0.99631536	-0.78416085	-0.0517634	0.014629678	-0.25601622	-0.040861044	0.2810094	0.41741848	-0.11653546	-0.32308206	0.9991697	0.36765057	-0.14753164	-0.36820206	-0.16395958	0.5614494	0.29329845	-0.095467515	0.30024743	0.000215711	-0.050570987	-0.09913421	-0.92557174	-0.6136702	-0.50488514	0.6105726	-0.33905828	-0.76179826	-0.49986693	-0.5109164	0.39381403	-0.95681274	0.24904512	-0.12747838	0.5269792	0.08945433	0.66664565	0.18897454	0.33398545	0.01140879	0.26802173	0.035558365	0.31608248	-0.290232	0.62071687	0.23066296	0.16390115	0.7109276	0.5251031	0.7897894	0.07705945	0.28759414	0.61365694	0.9709905	-0.9909415	0.080334865	-0.42672274	0.13677436	0.08536269	0.13511926	0.15026061	0.7030821	-0.55640775	-0.17240433	-0.16929828	0.3763326	0.3639662	-0.13311411	-0.3098002	0.3482878	-0.05203393	-0.7762058	-0.15760954	-0.16222805	0.02499287	-0.7230722	-0.65996766	0.9668678	0.36367154	1	-0.36473417	0.32473633	0.29111972	-0.29161215	-0.9069123	-0.1630482	0.6465126	0.30307868	0.29174483	-0.40167525	0.15251583	0.30382732	-0.07130278	-0.011517496	0.082991555	-0.15148328	-0.37425566	-0.37831795	-0.22525768	-0.46558446	0.4755293	0.2871952	0.17720294	0.76118904	-0.8610066	-0.026665796	-0.053790282	-0.22851884	-0.50139916	-0.21573552	-0.52684253	0.31178552	-0.042435158	-0.25222984	0.530518	0.081329584	-0.20353012	-0.19686733	0.4216257	-0.23265211	0.99974936	-0.13031076	-0.76029134	-0.3078061	0.9558891	-0.055922236	-0.47185004	-0.995363	-0.28817603	0.4179204	-0.088192984	0.37086922	0.328585	0.10688222	0.17568798	0.45835605	0.122599475	-0.3342211	-0.03191313	-0.13794285	0.039953828	0.18706341	-0.9992531	-0.99999994	-0.991959	-0.2502211	0.19139124	0.17135072	0.3311622	-0.17851909	0.05183105	-0.16731064	0.50581986	-0.091066696	-0.24396807	-0.2824127	0.32009065	0.20889552	-0.04085627	-0.23406084	-0.19365719	-0.99366486	-0.99924576	-0.47587597	-0.5043985	0.672701	0.37976557	0.19924057	-0.93060493	-0.40932533	-0.3049077	-0.024843644	0.13067901	-0.1008741	0.5431823	-0.91115004	0.4900703	0.8518128	0.11627403	-0.22986543	-0.19999973	-0.86390966	0.42278293	-0.22169726	-0.31586406	0.7983297	-0.540299	0.21933249	-0.22875257	0.39533293	-0.48728013	-0.10818342	0.29696655	-0.237369	-0.20571154	0.37335828	0.30900627	-0.98876494	-0.2208705	-0.5681725	-0.13002472	0.08628604	-0.06643955	0.9995136	0.13304476	-0.086096674	-0.07703058	0.26826826	0.18815887	0.3049289	0.9505876	-0.45865393	-0.42694685	-0.19070424	0.9069266	0.00738966
384	0	CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C	0.8876422	0.32523882	0.22536369	0.1436294	-0.19486792	-0.15094338	0.12032475	0.64490694	-0.727271	0.40652975	0.3508945	-0.30937585	0.3940577	0.4526941	-0.2742727	0.67372614	-0.016334515	-0.21644884	-0.5748396	-0.20782845	-0.10221593	0.21025632	0.7321674	0.014907304	-0.30256888	0.076716	0.5852645	-0.30267707	-0.66392297	0.25414136	-0.61538255	0.100392565	-0.009121447	0.66979766	-0.32230958	0.47016656	-0.6273003	-0.22517239	0.9861558	-0.23809943	-0.9690368	-0.117910184	-0.021849925	-0.5727915	-0.20786914	-0.9133371	0.003699417	0.67789495	0.30324072	-0.03329776	-0.36994284	0.124526575	-0.22267564	-0.057586223	-0.21131201	-0.23303959	-0.31695548	0.1612922	-0.9370721	-0.32575804	0.09031755	0.18340723	0.17547442	0.1617282	0.8454378	-0.37309808	-0.11421235	0.017632023	-0.004598037	0.08360553	-0.7532053	-0.99947804	0.21868177	-0.2177606	-0.43404624	-0.06419009	-0.48683584	0.39619827	0.8255287	-0.99982953	0.30110297	0.046225727	-0.9282491	-0.7693515	-0.77639884	0.5059107	0.77186984	-0.48925957	0.026499124	0.5483399	0.4889503	-0.5728619	0.7745492	0.21831861	0.9993703	-0.27592123	-0.721396	0.28785866	-0.33604825	-0.32834226	0.19483802	-0.089042425	0.16742107	0.4643058	-0.74681807	-0.97922575	0.09159403	0.08468101	0.985955	0.34247133	-0.3477522	0.50372225	-0.10017126	0.3794564	-0.19981202	0.64611673	0.07202461	-0.6080749	0.9987222	-0.5258633	-0.53125185	-0.48337913	0.60807866	0.032568034	0.15196542	0.14931372	0.53087443	0.41424343	-0.27322406	0.9722304	-0.49784526	0.17382604	0.26515073	0.05699716	0.1749197	-0.9661605	-0.8100687	-0.15882005	-0.7666562	-0.7836186	-0.99990517	0.690643	0.73211986	0.08468291	-0.20534141	0.34392816	-0.030921785	-0.40901583	0.3745182	-0.5435688	0.14090103	-0.70502096	-0.78930795	-0.28712562	-0.6828615	0.11288546	0.338286	0.9642834	-0.7206965	-0.94634247	-0.9765567	0.5260955	-0.000503881	-0.20796277	-0.38825336	0.27624685	-0.034304664	0.5835961	0.29856768	-0.66655135	-0.54468095	0.16067779	0.11555863	0.2630817	-0.44621876	0.8112923	0.93128854	0.6849175	0.042291544	0.02840025	-0.1616372	-0.96960837	-0.20299731	-0.6118777	-0.41111794	-0.61754775	0.20468412	0.5740654	0.18323489	0.023927901	0.42359746	0.30059597	0.53393716	0.268068	0.43261197	-0.5450629	0.5846847	-0.9279448	0.27188712	0.1571814	-0.82503486	-0.500094	-0.6154793	-0.10958647	-0.35293043	0.7506703	0.5852304	0.5532545	0.04490626	-0.999432	-0.578379	-0.29396722	-0.28630638	0.6621446	0.46110994	-0.20219761	0.08003108	-0.63827896	-0.08849782	0.6078452	-0.54885066	-0.5226333	0.7923378	-0.10295809	-0.9485444	0.33252284	-0.090187795	-0.30762845	-0.000794483	0.03360375	-0.33422205	0.15757422	0.34881338	0.058895182	-0.12161926	-0.4619613	-0.48787963	0.38587365	-0.060147576	0.611609	0.9109039	-0.12970248	0.062282525	-0.49442267	-0.6973013	-0.20138545	0.24034943	-0.12447406	-0.5837612	-0.13869466	-0.35446882	-0.97727424	-0.4896584	-0.35649276	0.5573426	-0.32385814	-0.6088889	0.6309271	-0.081357926	-0.7742837	0.13882023	0.0603197	-0.6060759	-0.30370906	-0.07085308	0.5004303	-0.5221897	0.56854844	0.73668176	-0.37390834	0.67691255	0.80744535	0.22908218	-0.032607675	-0.24312456	-0.80890626	0.7336046	0.11163512	-0.50724816	-0.002418133	-0.13293763	0.99933356	0.1797152	-0.7822848	-0.3008525	-0.56460345	0.36324102	0.7881547	0.89453316	-0.26787487	0.49139515	0.9962213	-0.2111818	0.74738353	0.44592318	-0.10946724	0.9999784	-0.64639676	-0.04218295	-0.4825183	-0.059168912	-0.22629616	0.21917461	0.28281608	0.67722154	0.9423347	0.40292317	0.26060078	0.04112419	0.48687133	-0.007636473	-0.5658367	0.6908075	-0.38158837	-0.3224512	-0.4360616	0.7677727	-0.14266738	-0.9999634	0.072074465	-0.26483408	0.5982429	0.5829876	0.25181723	0.67017746	-0.16436815	-0.48429212	-0.1271448	-0.048615627	-0.1152338	0.17642309	-0.24263676	0.6516616	-0.039015066	-0.19817145	-0.90494674	-0.5548174	-0.20372227	0.20040897	0.38324052	0.3676654	0.1406806	0.6286095	0.50637925	0.49185714	0.22150515	0.12562236	-0.5553819	0.22460972	0.12107406	-0.9789328	-0.16383772	0.7247817	-0.06284955	-0.022903819	-0.7136405	-0.17416443	0.9997009	-0.7432387	0.4341981	0.51119494	-0.000441126	-0.5664717	0.64366883	0.46440256	-0.4137224	0.008174696	0.24092162	0.2486422	-0.19464576	-0.581715	-0.48045945	0.5752253	-0.21479227	0.06969181	0.999125	-0.54006577	0.11330412	0.3187771	0.64940983	-0.31008458	-0.3221604	-0.52514124	-0.6190641	0.3001268	0.21942587	-0.22228228	0.13586307	-0.34436616	0.72640646	0.027909227	-0.59870285	0.70494497	0.00022476	0.60150796	-0.6159699	-0.5033665	0.5108479	0.7422296	0.71878445	0.7828257	-0.76721734	-0.22509655	0.40686783	0.32001996	-0.45127764	-0.23810495	-0.4211857	-0.17432237	-0.14213899	0.49675724	0.47804156	0.45993936	0.28405795	-0.19834186	0.049216356	0.99999964	0.70628446	-0.99384004	0.22840188	0.9993692	-0.032357894	0.009408376	-0.9999684	-0.75972795	-0.66840047	0.5441596	-0.4622974	-0.80861074	0.4049793	-0.59833306	0.7718218	-0.5832927	-0.40230817	-0.6941052	-0.42538837	0.6645472	0.21966466	-0.99997777	0.9764627	-0.95441	-0.080085665	-0.45849234	-0.26297	-0.6797313	0.011307829	-0.7741328	0.14150137	-0.01371608	0.38205007	0.2601794	-0.028009119	-0.111543655	-0.19255008	0.07922599	0.39294022	-0.44804817	-0.79206234	-0.9999623	-0.17284678	-0.012548973	-0.3357583	0.23879807	-0.094003886	0.004550552	0.22747706	0.10103265	-0.31033662	-0.115793705	-0.24372841	-0.25646922	0.8829436	0.21725422	0.8904281	0.115966015	-0.29663655	-0.4174857	0.42964453	0.19021215	-0.14386179	-0.002990644	0.5019682	-0.03710192	0.4300277	0.5587532	-0.46792924	-0.2682939	0.1706999	0.13410313	-0.59773725	-0.31682596	0.37993798	-0.6007128	0.8224213	0.775798	0.18095443	-0.19755946	0.56296116	-0.00917502	0.99987346	0.27517092	-0.30773678	-0.19265333	0.35619137	0.5922434	-0.6188721	-0.9830853	-0.22528875	-0.47700182	-0.06746823	0.5454105	0.51715356
385	0	CC1C(c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1	0.78433543	0.16154376	0.4155337	0.41794893	-0.42936853	-0.14009446	-0.069503084	-0.56257606	-0.06885128	-0.39861208	-0.75554883	-0.5317639	0.22821866	0.28097126	-0.25473803	-0.5583767	-0.72545505	0.36609206	-0.50234747	0.11941571	0.5535564	-0.22476727	0.59624666	0.32022515	0.5590787	-0.059715163	0.013750413	-0.42237324	0.43960515	-0.025243692	-0.2749753	0.40113825	-0.38106516	0.72115105	0.63278127	-0.38472477	0.3012026	-0.29812944	0.99717367	-0.7238677	-0.7445115	-0.5203447	-0.6861614	0.7836408	0.52956676	-0.38284138	-0.14080907	-0.13794164	0.75374717	-0.15573065	0.55122125	0.42919412	0.17543115	-0.2669279	0.063017435	0.35846302	-0.256728	-0.29971266	0.12509602	0.5686947	-0.5602429	0.3558834	0.2659235	0.32491425	0.18595241	0.6939513	-0.21506797	0.5309859	0.39219937	0.20495757	-0.93159515	-0.50401217	-0.53860164	0.60363305	0.59104824	-0.63751787	0.4519482	-0.462558	0.34752202	-0.99971974	-0.78619957	0.07305785	-0.7827991	-0.36900955	-0.3847644	-0.93754375	-0.3145261	0.6794434	-0.47526097	-0.097598866	-0.081016585	-0.25475267	0.030706784	0.3706822	0.9969072	-0.4035158	0.43344188	0.305015	0.27533907	-0.38465124	0.09195749	-0.19425754	0.62749267	0.98198736	-0.9903824	-0.5062295	0.2275849	0.18840672	-0.89518267	0.15025376	-0.47601104	-0.5236252	-0.036627773	0.057439595	-0.062033795	0.058604635	-0.0603461	0.06435221	0.98551065	-0.53898597	-0.32284665	-0.43479186	0.74876606	0.24769272	-0.45907465	-0.6713468	0.17512673	0.35677043	-0.38510168	0.9999196	-0.17658402	0.15877603	0.043070022	0.17749035	0.20743665	-0.98783815	-0.13162306	0.50688833	-0.5447922	-0.4382129	-0.9999982	0.18790568	0.8000684	-0.5601048	-0.8013463	-0.28472212	0.13639793	0.39898118	-0.8228901	-0.49115038	-0.38608482	0.4611457	0.5556915	0.39933228	-0.05184451	-0.726594	-0.095222555	0.33585584	-0.78900796	0.6565872	-0.5928682	-0.4396885	-0.30323565	0.6616872	0.3940732	-0.29448697	0.62890834	-0.52917945	-0.038990784	0.03281093	0.53636247	-0.33601448	0.41112754	0.5527007	0.16397263	-0.89460796	0.82432765	-0.5041142	0.32475337	-0.101983935	0.5933941	-0.8085613	-0.17335469	0.75275004	-0.33899465	-0.35984382	0.6385226	0.5463128	0.28455415	0.1332591	-0.8027649	0.1416196	0.702757	0.72027165	-0.3209971	-0.21231323	0.38626677	-0.6787147	0.35559848	0.6818943	0.74381095	-0.49618173	-0.33370993	0.4223825	-0.35604215	0.45334312	0.12553713	0.46662492	0.4576135	-0.9998801	-0.6947887	0.62006485	0.09243437	-0.66146946	0.5506145	-0.5889586	-0.72623205	-0.5613516	-0.89354664	0.23065014	0.8098968	-0.08004326	-0.76009196	-0.11040172	-0.9190492	-0.18526712	0.047960408	0.41751337	-0.09896196	0.069742724	-0.7175032	-0.6782951	0.40816072	0.032110434	0.27234957	0.28307328	-0.26392463	-0.032110173	-0.36420676	0.65465707	0.66597587	0.7020133	0.45957142	-0.81996536	-0.24214546	-0.2596569	0.184868	-0.4122798	-0.57342803	-0.32966575	0.7567354	-0.7171947	-0.5187228	0.57334375	-0.4602572	-0.10075222	-0.18194948	-0.15987296	0.6863285	-0.6669698	-0.44227228	0.4010272	0.6204548	-0.7448562	0.27815306	-0.39309606	-0.35381627	0.082380846	0.6283657	-0.23804593	-0.09732428	0.98644775	0.11390045	-0.3293405	0.28354144	0.7070241	0.6414938	-0.3403778	-0.4944276	0.5055725	0.6872141	0.9959564	-0.078477584	-0.37040976	-0.13621049	-0.08681363	0.08688701	0.80913174	-0.711306	-0.25586468	-0.20041664	0.93087184	-0.35942578	-0.57916343	-0.2811689	0.01934847	0.9999998	-0.9942768	0.72656065	0.4536735	-0.5766108	-0.002683208	0.45152393	-0.03938926	-0.5120894	0.42507362	-0.8945668	0.55430686	0.8053035	0.23338021	0.57082355	-0.77512085	0.030101178	0.12031137	0.40821266	-0.3562913	0.24202031	-0.35567898	-0.982472	-0.14241846	-0.5875504	0.74030775	-0.02386189	-0.8204401	0.027820496	-0.25259778	-0.80850434	-0.9620524	0.22522646	0.28003025	0.07332368	0.5375073	0.21833621	-0.24984874	-0.4854111	0.8182184	-0.43050265	-0.7628226	0.24869004	0.010755868	-0.6501568	0.021251166	-0.2067718	0.7056762	-0.083397396	0.14447984	-0.8297583	0.5548509	-0.39605793	-0.8959768	-0.93472844	-0.3802793	-0.49723268	-0.111110315	-0.6731998	0.016736612	0.14524612	0.999672	-0.6613769	-0.09151353	-0.55569553	0.07009223	0.42237088	-0.33024803	-0.75275725	0.010118755	-0.28250456	0.14071093	-0.5108463	0.43148914	-0.69811386	0.03009873	-0.18751201	-0.1313982	0.006071187	-0.99598026	-0.49875847	0.4358239	0.60145926	-0.24220793	-0.08611663	-0.42486554	-0.44784445	-0.33532658	0.42453763	-0.021524718	-0.24468876	0.7482294	0.1486406	-0.45017645	0.5021711	0.17094053	-0.30803707	-0.45830715	-0.07903153	0.10442993	-0.61940145	-0.20911612	-0.10990396	-0.5967768	0.47965604	-0.33067027	-0.20651883	0.22877894	0.30715966	-0.21955076	-0.2506967	0.0742759	0.031180209	-0.3683692	0.60022515	0.121198274	-0.118776925	-0.39186078	-0.48361924	-0.030548774	0.9999617	0.49453974	-0.9754018	0.37450698	0.9988001	-0.3970041	-0.13399418	-0.9995003	-0.473191	-0.88824725	-0.05448259	0.3672384	-0.37877417	-0.21391454	-0.54547954	-0.7457331	0.021956258	0.63453466	-0.20681618	0.75123894	0.4686351	0.11753327	-0.9999647	0.9999998	-0.29405168	-0.3078763	0.19939367	-0.05554517	-0.5416991	-0.10825283	-0.48884845	-0.15711276	-0.32912055	-0.13735569	0.11221231	-0.28568557	-0.31153166	-0.5254871	0.018580422	-0.5973693	-0.14463873	0.6920345	-0.99971527	-0.048949566	-0.21084225	-0.6235328	0.33712143	-0.103591196	-0.93173724	0.011765002	-0.20480636	-0.025058847	-0.44568905	-0.467209	0.2788747	0.72286856	-0.26471612	0.63965964	-0.25335947	0.009551373	0.12683329	-0.055467162	0.43796745	-0.7779268	-0.23859483	-0.6323622	-0.88124275	-0.27814543	-0.13488165	0.5290536	-0.6264639	-0.17151158	0.07697498	-0.6773051	0.16312347	-0.38110897	0.618041	0.9940187	-0.4005565	-0.61098534	0.08950892	-0.10227655	-0.037314665	0.99982446	0.32311094	-0.34221268	0.6243218	-0.11414442	0.55030376	-0.2335078	-0.9972121	-0.09829638	0.5628293	-0.18530098	0.58637124	0.30432647
386	0	NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O	-0.28592762	0.1532003	0.25395137	-0.11080383	-0.23895498	-0.66256547	-0.4149617	-0.13639867	0.008758662	0.26788	0.29097512	-0.121854894	0.5533942	0.19115183	0.3549515	0.5785062	0.18485412	-0.65239704	-0.41022575	-0.29798034	0.84501296	0.091952026	-0.6575339	0.67452055	-0.27346706	0.19176394	0.26875624	0.035134222	-0.3204417	-0.64135945	0.5916622	-0.039017126	0.14409946	-0.75801116	-0.56878656	0.09202612	0.72357035	0.26743975	0.99032813	0.26191926	-0.59263146	-0.3508864	0.36021012	-0.14198561	0.6234671	-0.94537437	0.40764177	0.20718968	0.33468083	-0.29312283	-0.70400935	0.58166873	-0.2313963	-0.45880762	-0.5775542	-0.16275747	-0.49744338	0.17098269	0.56848544	-0.24716938	0.30109406	0.5465187	-0.6013661	0.10946085	-0.04434889	0.87386733	-0.39196202	0.07543376	0.2569124	0.41033572	-0.9347603	-0.99986964	0.3372277	-0.15892448	-0.7461388	0.62805957	0.3648526	-0.8402369	0.05378396	-0.9997758	-0.89385366	-0.28206664	-0.9026571	-0.30673364	0.035713263	0.84823006	0.4589434	-0.00861962	-0.6796139	0.8183797	0.01074726	-0.8114737	-0.8231745	-0.45500198	0.99988335	-0.26638225	-0.9419163	-0.18319212	0.066879295	-0.65321386	0.55786306	-0.80718815	0.21689962	-0.49163443	-0.82501537	-0.71298534	-0.47020316	0.43120626	-0.9999127	0.2846174	-0.5532254	0.4235617	-0.8071585	-0.81442684	0.42355293	-0.286277	0.36533728	0.5371522	0.999504	0.03960686	0.17549832	0.087823875	-0.39709312	-0.0841505	0.074495	0.16073164	-0.5815256	0.31365418	-0.37910458	0.81158435	-0.38264096	0.09425557	0.20201112	0.08142193	0.25092518	-0.7256881	0.057351958	0.18711483	-0.7417736	-0.0787213	-0.9996086	-0.28072092	0.11618169	0.6363933	0.59094924	-0.11945454	-0.2170661	0.109358415	0.45374143	-0.15636395	-0.22589086	-0.15543848	-0.47065973	-0.22299856	-0.48156393	0.6952545	0.2175539	0.93795943	-0.3052147	0.74894863	-0.9690288	0.21908621	0.0826868	-0.13783254	-0.24253	0.6206327	-0.6280539	-0.24614051	0.40126792	0.6287928	-0.8875292	0.7351603	-0.45909715	-0.81171143	0.5274814	-0.6099679	-0.61550057	-0.22977741	0.18839847	0.46416646	-0.14848645	-0.99993694	0.09826389	-0.47836578	0.357005	0.569852	0.8076575	-0.45414278	-0.0791122	-0.37225118	0.9586884	0.056515194	0.33524072	-0.0661632	-0.40758267	0.19450665	-0.38635406	0.6411565	-0.3171272	-0.33609235	-0.29250628	0.4872323	-0.01564722	-0.7565724	0.16103287	0.88739395	0.6317826	0.66680056	-0.1356047	-0.9996134	0.52217776	0.53224903	-0.080895804	0.48394364	0.40775445	-0.14070283	0.44644263	0.25347346	-0.316735	-0.09526592	0.3043973	-0.22082022	-0.58609474	-0.25498262	0.95919544	0.17326063	-0.49188316	0.2100951	-0.63610953	-0.2528072	-0.5345034	-0.67363316	-0.22141553	-0.8842201	-0.5835108	-0.5634693	0.5191533	-0.3812038	0.20908938	-0.54942673	0.8776256	-0.25779518	0.92418736	0.47191262	-0.066124685	-0.011547826	0.1502535	-0.20833921	-0.24451974	-0.24988613	-0.2634517	-0.97893137	-0.022032885	0.61004025	-0.42956346	-0.006232672	-0.009668969	0.15425506	-0.39863384	0.12738442	-0.51676726	0.27003565	0.17121904	0.4388541	0.4615502	-0.08528401	0.46297404	0.48644567	-0.9090582	-0.049789913	0.5439404	0.97963166	0.55774444	0.10157591	0.5466894	0.8963586	0.29116106	0.29985428	0.180659	0.27879027	0.9056541	0.99867076	-0.69835985	-0.004538303	0.20504005	-0.66292936	-0.45818225	-0.9864148	-0.99543566	0.6986922	-0.14844333	0.99623466	0.297012	0.8198884	0.40895706	0.31154752	0.9999411	0.12836942	0.53814036	-0.08107387	0.3210034	-0.07101722	0.34671235	0.171811	0.49379057	0.09453738	0.40491748	-0.40408164	-0.7569669	0.18891858	0.47324187	-0.5264068	0.004816539	0.44305623	-0.9955543	0.76488465	0.5709174	0.287006	0.9986963	0.5722011	0.31626764	0.017116452	-0.33485636	0.26181343	0.11382337	-0.032986928	-0.4760327	0.0337026	0.00228274	0.085021004	0.36262077	0.7616867	0.5934515	-0.62963474	-0.39603096	-0.9793215	0.34511262	0.16315459	0.23499763	0.4160231	0.2584959	-0.8825626	-0.79915774	-0.15811248	-0.36625144	-0.06714466	0.031252094	-0.073648185	-0.12730396	-0.09911981	-0.9577933	0.28739235	0.75366443	-0.23282167	-0.036443222	-0.1559386	-0.39815286	0.99956185	-0.33473137	0.6495664	0.6307076	-0.44162324	0.38906202	-0.46787637	0.5872173	-0.05062074	0.80614334	0.50906163	-0.53621846	-0.006138408	0.28930187	-0.4430452	0.6772986	0.24735986	0.33850774	0.99794334	0.46451178	-0.8540872	0.08341688	0.2444969	-0.6514362	-0.3384728	0.06323382	-0.8504054	0.06263377	0.12285078	-0.23088172	-0.3959948	0.5442742	0.27393433	0.080910355	0.03847621	-0.28883013	0.6029021	0.65064716	-0.53975457	0.21130773	0.7206009	0.87149644	0.88806105	0.97541153	-0.1287521	0.589925	-0.3076318	-0.049679857	0.1134499	0.39030632	-0.10173395	-0.16418037	0.2623256	-0.31579733	0.18997031	0.30682945	0.51403344	0.76950634	0.5631254	-0.17839518	-0.3376443	-0.99229443	0.46375272	0.9999304	-0.67063475	0.38766402	-0.8096612	-0.5844324	0.18668354	0.73987293	0.7107432	-0.4034949	-0.8409067	-0.5330913	0.9219362	0.5601684	-0.53212875	-0.12505315	-0.35000437	-0.36127216	-0.65278935	-0.99998784	0.99322015	-0.97894937	-0.22243473	-0.5673392	0.20114177	-0.5834264	0.5118919	-0.8602531	-0.46057928	-0.24616584	-0.3823053	-0.65741336	0.27679905	-0.50330216	-0.06611206	-0.64318985	0.6921279	-0.019561583	-0.73446536	-0.99995774	-0.49705142	0.45336437	-0.06927664	-0.5127646	-0.42862734	0.9274667	0.65362555	0.812869	0.55307376	-0.24941741	0.15985212	-0.7818212	0.86876494	-0.14035887	0.5093585	0.19364116	0.18842559	-0.110733435	-0.40145	-0.092824385	0.31101072	-0.19483955	0.93136233	-0.64579034	0.36594492	0.16854973	-0.77423215	-0.43335265	0.34759644	0.20009977	-0.02268627	-0.20682363	0.060931977	0.7439721	0.8851136	0.050278433	0.40307882	-0.020906681	0.39487365	-0.6874593	0.99990845	-0.027308395	-0.5134421	0.4618912	0.11330055	-0.013913218	-0.040032733	-0.9660008	0.12766977	-0.44213066	-0.109885804	0.19986343	-0.24718463
387	0	CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	-0.7418599	0.22514899	0.19657025	-0.017087828	-0.11856028	-0.72879624	-0.5747363	0.088961765	0.14055808	-0.11231726	0.095604695	0.35151517	-0.7448237	0.73628527	-0.22341134	-0.70885044	0.17695762	0.23917396	0.12206981	0.3793564	0.32458284	-0.21163544	-0.053234015	-0.11404117	-0.1298688	0.8221109	0.4437242	0.1209011	0.25096327	-0.2564935	-0.21345292	0.41171733	0.218932	0.5717206	0.4000175	0.44591743	0.28328204	0.65214574	0.99385303	-0.011603527	-0.9718312	-0.38325816	0.045589183	-0.15444122	-0.16908178	-0.9022145	0.18344301	0.6283424	0.50922084	-0.48890692	0.643156	0.45912313	-0.6963951	-0.13926063	-0.44549167	0.12828751	-0.7080525	-0.28990322	0.21638976	0.31044888	-0.084109284	-0.41028944	0.37367484	-0.4062752	0.10103019	0.27525318	0.81208324	0.032324787	-0.14932634	-0.032183066	-0.8030703	-0.9913639	-0.15139951	-0.16134761	0.3305048	-0.03232763	0.09877569	-0.19916175	0.3075053	-0.9992307	-0.23500668	0.26883814	-0.8800639	-0.04470874	-0.46445394	-0.39631596	-0.21957472	0.12531304	-0.8178381	0.23399022	-0.36866266	0.18265347	0.6231915	0.095186114	0.9993953	-0.59949106	-0.0915254	-0.22844292	-0.17473915	-0.21068807	-0.26357836	-0.32882732	0.40284565	0.28141728	-0.9347714	-0.5142321	0.08581942	0.1615887	-0.99892735	-0.3229103	-0.18082145	-0.13190635	-0.75539416	-0.4400532	0.16710164	0.20924675	0.23815587	-0.22195236	0.99868137	-0.6028651	0.66961354	-0.1848417	-0.3140659	-0.49703264	-0.4938359	-0.07114341	-0.612249	-0.72032934	-0.43545645	0.99611044	0.31576928	-0.16555211	0.50273526	0.032691706	-0.15209197	-0.7689584	0.2920635	0.5612777	-0.8298289	0.5393866	-0.9996135	0.5694469	0.5858671	0.121704265	-0.3543148	0.40759632	-0.009685404	-0.2733189	0.017827453	0.016948896	-0.3240383	0.865683	-0.58905226	0.27908978	-0.26505738	-0.26337025	0.029641062	0.82269704	-0.89539677	0.63489103	-0.9486884	-0.42548826	0.03466042	-0.27154693	0.19032624	0.3203451	0.15157153	0.5573217	-0.31963918	0.33253384	-0.41661206	-0.1921731	0.38168675	0.30942482	-0.19440019	-0.9239936	-0.8160042	0.44260433	-0.106309146	0.4512968	-0.09904783	-0.9954994	-0.001762444	-0.08019448	-0.08319966	-0.24914716	0.085492134	0.6173292	-0.13662499	-0.5633507	0.1843859	0.1998262	0.083765276	0.18151541	0.2938397	0.40124232	0.4819079	0.6149559	0.4325781	0.29469895	-0.5826982	0.24689063	-0.13654675	-0.43782595	-0.22738837	-0.6645456	0.60076016	0.2556267	-0.33909813	-0.9986787	-0.3293132	-0.37092242	-0.219737	-0.64201474	-0.066049725	0.8207144	0.17399667	0.3433092	-0.67224675	-0.057174083	0.22532445	-0.4967949	0.09069057	-0.22854953	0.9645049	-0.20271549	-0.088047326	0.2376873	-0.49558112	-0.1555288	-0.3571911	0.10491138	0.70182276	-0.22041628	-0.090517245	0.14194408	0.100563794	0.43902677	-0.014618142	0.028406521	0.6559442	0.60085225	0.49150428	-0.5442083	0.05549505	-0.02395567	-0.394133	0.49911103	-0.021292403	0.30391285	0.15057673	-0.9981673	-0.15673865	0.47958046	-0.07676484	-0.35480908	-0.57848436	-0.26999974	0.65679365	-0.5379277	-0.7631009	0.10074149	-0.14834228	-0.38606754	0.5863038	0.061180204	0.20820005	0.7865661	0.49223673	-0.30618995	-0.4071147	0.7598499	0.7041183	0.21640132	-0.7916268	0.20950517	-0.10610051	-0.086338	0.08531713	-0.60647637	-0.22475755	0.99900866	-0.12438106	-0.31172016	0.12332622	-0.11924048	-0.48995683	-0.5351181	-0.97668415	-0.25786197	0.23297456	0.98843175	-0.34680995	0.8508857	0.11738953	-0.15959963	0.99963236	-0.8598458	-0.47454306	-0.4029398	-0.3342918	0.5224319	-0.62913835	0.09894054	-0.6036111	-0.24645087	-0.33079797	0.081096135	0.33407083	0.23942053	0.19299245	-0.38554546	-0.4521388	0.26726475	-0.7780269	0.6189729	0.32896498	0.40048447	0.8988277	0.2258067	0.06830473	-0.09184401	0.78638875	-0.7333743	-0.08058059	0.02344811	0.4816729	-0.9027616	-0.53311855	-0.16440517	-0.30987138	-0.26073158	-0.29803827	-0.05674838	0.14407139	-0.6017047	0.309127	0.44419077	-0.4657593	0.49600047	-0.25645113	0.53114825	-0.38380888	-0.07414131	-0.1852561	0.019068222	0.19041526	-0.4555496	-0.23471147	-0.45469368	-0.9623383	0.11553334	-0.15986788	-0.646959	-0.15202461	-0.3447071	0.27182823	0.9998163	-0.17105103	0.24363728	0.62647116	0.59566295	0.11621859	0.22998244	-0.4198736	0.28645182	0.13922164	-0.08979682	-0.17445405	-0.5418049	0.46798533	0.23089343	0.26619327	0.49679416	0.3810163	1	-0.330839	-0.7523832	-0.062564306	-0.3147173	-0.3420489	-0.3041938	-0.7668345	-0.026610596	0.6181496	-0.386001	0.53554994	0.30534267	0.18279341	0.7441056	0.042459045	-0.05474722	0.09301022	0.52761704	-0.046483494	-0.85462797	0.2132435	0.34373146	0.34980887	0.15559861	0.84124863	0.24711268	0.09242503	-0.5554118	0.35261986	-0.34463564	0.023028335	0.9474701	-0.22484756	-0.6505395	0.32074177	0.278191	-0.47744086	0.7078339	0.10564761	0.39185336	0.963128	-0.40496203	-0.9689764	0.29943758	0.99989307	-0.7275571	-0.106591016	-0.97993296	-0.61359584	0.30889344	0.6687728	-0.22973369	-0.7544448	-0.25309154	-0.16062127	0.10381854	-0.026546651	0.072332196	-0.18851762	-0.33519796	-0.1718194	-0.53973025	-0.9999895	-0.9970648	-0.8948743	0.14381853	0.3497811	-0.33400983	-0.43277887	-0.6253425	-0.88238686	-0.60758203	-0.7710073	0.71185046	-0.82784164	0.59136504	0.18593052	0.27356523	0.2539077	-0.29250225	0.28435338	-0.35267758	-0.99996835	0.040886417	0.14876378	-0.55802566	-0.3509062	-0.060831513	-0.046430733	0.7068213	-0.30976984	-0.17789744	-0.5936465	0.040815827	0.6684364	0.95513344	-0.012268158	0.8186203	-0.5324435	-0.43960693	-0.1678766	-0.40161386	0.109014146	-0.48036104	-0.71058637	0.107128024	0.52222437	-0.4332723	-0.2988853	0.4057282	-0.3539827	-0.6624388	0.3725401	0.62829816	-0.7251265	-0.15707156	0.12699103	0.93286157	0.5240924	-0.101892	-0.3352329	0.25660053	0.29790813	0.9998823	0.07287414	0.46139225	-0.68234706	0.08489636	-0.7043203	-0.17431319	-0.9616631	0.006255291	-0.7529119	0.4074447	0.65137887	-0.5388138
388	0	CCC(C)OC(=O)N1CCCCC1CCO	0.14425175	-0.48306784	-0.026829366	0.12060528	0.52087283	-0.20321561	0.019973923	0.7807262	-0.018479938	0.29603952	-0.05640252	-0.056640863	0.029682482	0.44910103	0.18700688	-0.1104486	0.018142665	-0.3245271	0.033795923	-0.2658027	0.4108843	-0.3708542	0.35406622	0.32420927	0.059140574	0.6905134	-0.34277377	0.040854033	0.15162417	-0.10992157	-0.18076578	0.23021923	0.18019925	0.02687965	0.11658411	0.019939005	0.33980325	0.47631133	0.8564412	-0.62333626	-0.9786933	-0.45132372	0.2260432	0.14306521	-0.48438933	-0.98680234	0.07622713	-0.27178514	0.46283555	0.34159774	0.41161707	0.15376426	-0.33573985	0.33963248	-0.8045526	-0.052517146	0.37059462	0.88565505	-0.014718009	0.5976357	0.39529136	0.5830666	-0.14435636	-0.22556578	0.20973785	0.36147884	-0.13364999	0.34866613	0.29234788	-0.03837294	-0.8467838	-0.9896829	-0.51176316	0.8143695	0.013894722	0.49477467	-0.5300093	0.21813636	0.5876726	-0.9998364	-0.15263386	0.19992487	-0.6752424	0.4234249	0.568614	-0.23257522	0.52320933	0.007528245	-0.084457435	0.13344155	0.044877343	-0.2907735	-0.1346222	-0.24148387	0.99888605	-0.5113252	0.34178367	-0.3025862	-0.43762106	-0.12180394	-0.056742534	-0.26922938	-0.44546822	0.31165192	0.13357979	0.026084185	0.926822	-0.13227627	-0.87043005	-0.21537605	0.031572632	-0.2299093	-0.06721104	0.54144037	0.36888394	0.4123871	-0.000109375	0.3626139	0.9985411	-0.12939954	-0.30051708	0.49781764	0.2583061	0.5370243	-0.10491035	-0.08325516	-0.11519397	-0.031904176	0.4785213	0.9980886	0.18412964	0.53133595	-0.14673012	-0.51808286	0.39813972	-0.8938486	-0.037263174	-0.2951935	-0.22579992	-0.82441324	-0.99041927	0.2722117	0.9551856	-0.001034643	-0.7482507	-0.10800019	0.2110221	-0.5719017	0.91894513	-0.14712654	-0.36778206	0.5050477	-0.086364545	0.6395998	-0.508354	-0.23701912	-0.599946	0.99041724	-0.6717283	-0.72787446	-0.9737508	-0.47747916	-0.24145867	0.43500832	0.10626306	-0.25413075	0.20259698	-0.39400697	-0.027285188	0.24382092	-0.057382014	-0.30465433	0.42733806	0.110368446	-0.25979105	-0.9762017	0.7024196	-0.16829684	-0.11886324	0.26476827	0.6634082	-0.84202653	0.35611102	0.24702823	-0.37183192	-0.42059878	-0.2406243	0.14748693	-0.02723139	0.43393013	-0.3291702	0.038418163	-0.33594063	0.13919242	-0.38585803	-0.81742656	0.005542115	-0.85803795	0.45746443	0.38247308	0.5127545	-0.30382913	0.68314344	-0.0422736	0.17959285	-0.022045208	0.2725423	0.289864	-0.50352997	-0.99856937	-0.24324645	0.09915276	0.6826781	-0.40878335	-0.1250877	-0.36030564	-0.5596815	0.18544981	-0.35621995	-0.3045663	0.23772855	0.32355914	-0.37961754	0.053676005	0.9935944	0.3868545	0.19536681	-0.640307	-0.41386583	0.13022679	-0.12370938	0.5932364	-0.21495691	-0.27074185	0.61335117	0.079487786	0.52877986	0.14665523	-0.20658515	-0.21675637	0.8637616	0.50091773	0.2460257	-0.655446	-0.7061011	-0.66051036	-0.0966103	-0.47507614	-0.27853358	0.47220954	0.767528	-0.9980468	-0.34738293	0.39451414	-0.3692786	0.004235924	-0.7981017	0.011709993	0.39075863	-0.60175544	0.4618953	0.6737376	-0.034646973	-0.32260635	0.2747942	-0.041291326	-0.20503025	0.37989363	-0.14381976	-0.33978632	0.15978037	0.90847546	-0.10736898	0.21630128	-0.17697257	-0.4590364	0.59651613	-0.07093093	-0.6304316	0.40083492	-0.17133912	0.99904364	-0.4556689	0.01167049	-0.7620848	0.48293996	0.32854843	0.43442455	0.256705	0.081958756	0.050274022	0.9980044	-0.4393339	0.70939374	0.66791874	-0.06278896	0.997046	-0.9505148	-0.3206357	0.33650383	-0.5501707	-0.07793958	-0.1468436	-0.2388245	-0.6546538	0.35602346	0.89193046	0.38674757	0.6110077	0.6030899	-0.5058275	-0.6131648	-0.20616925	0.039937075	0.46482757	0.5698274	-0.18759838	-0.31701827	-0.99353373	0.35681447	-0.17392056	0.46906608	-0.118781716	-0.47284046	0.1946564	0.51941067	-0.2503512	-0.8534598	-0.12549809	0.17826794	-0.11044039	0.7484057	-0.022876844	-0.2049596	-0.60365146	-0.4581785	-0.09502668	0.39311928	0.648025	0.024921736	0.032969523	0.027560148	0.22467174	0.8085645	0.070573986	0.10756989	-0.11267439	-0.25552827	0.19524942	0.5885236	-0.9896004	0.48961425	0.011580206	-0.058015708	0.6348799	0.11477846	0.2991001	0.99983823	-0.54262084	0.12173754	0.14612538	-0.33515286	0.25537652	0.69834065	-0.2526658	-0.39417416	-0.4097735	-0.60531884	-0.07313665	-0.046404965	0.14865614	-0.18846877	-0.3626507	0.65423995	-0.16684139	1	-0.5404337	-0.1516238	0.19322641	-0.05641275	0.025967099	0.10605101	-0.2527527	0.47539562	0.5734112	-0.08981533	0.28215146	0.40961915	-0.008730211	-0.85864043	-0.09267808	0.042823657	-0.40402725	-0.56038886	0.5785983	-0.70501286	-0.3181054	0.31727445	0.3323287	0.28456852	-0.18155535	-0.30698946	0.22902751	0.31495333	0.3060744	-0.41194877	0.10657952	-0.3298559	-0.40111524	-0.3816588	-0.40049312	0.29320586	0.3865259	0.32349357	0.3780142	-0.6392103	0.9999832	-0.14617656	-0.78952676	0.34216392	0.9991289	-0.15013078	0.063358516	-0.9990238	0.14049467	-0.36671838	-0.226303	-0.5329035	-0.028464029	0.4082572	0.40736836	0.04148068	0.29983503	0.083012365	-0.50639755	-0.45066255	0.13693662	0.05966689	-0.9997986	-0.9963827	-0.9661233	0.2357059	-0.77728844	0.68573236	-0.27826786	-0.5706299	-0.16774772	-0.06332377	-0.30288348	0.13374583	-0.001792649	-0.22044729	-0.21946341	0.327192	-0.02501273	-0.08952451	-0.050965395	-0.8979799	-0.999867	-0.33454686	0.16298935	-0.29177663	-0.5981691	0.52615964	-0.91122776	0.3685186	-0.37262565	0.05388689	-0.19429848	-0.042949233	0.2737528	0.66064674	0.08189682	0.756627	0.62448215	0.47955692	-0.1543136	-0.16235241	-0.15495595	-0.12623397	-0.4366161	0.3066331	0.4582731	-0.15818876	-0.52202857	0.5147658	-0.7344147	-0.7517278	0.23117688	-0.7621591	-0.15675105	0.58681494	-0.43805626	0.34578755	0.39495313	-0.36154947	0.06433931	0.464963	0.45212105	0.9995513	-0.28819597	0.29682136	0.18381253	0.15024199	-0.114361525	-0.46018848	-0.9130386	0.22884886	0.087808505	-0.15422828	0.58027416	0.67982996
389	0	CC(=O)SC(C(=O)NC1Cc2ccccc2C2CCCC(C(=O)O)N2C1=O)C(C)C	-0.35523027	0.23318245	-0.82461584	-0.0737209	0.28549102	0.038549937	0.6353915	0.16836295	0.33445662	-0.3478455	-0.19389053	-0.1548876	0.14512384	0.561497	-0.2700176	0.41547337	-0.2066471	-0.7170371	0.055764634	-0.03725288	0.189002	-0.24947873	-0.6613678	-0.34334147	-0.8132331	0.46296167	-0.27048913	-0.3152105	-0.5445261	0.4307352	0.78033996	-0.16867125	0.2991786	-0.81632	0.55079675	-0.07149467	0.019302728	-0.24274702	0.9998186	0.3949824	0.36342868	-0.59979415	-0.8050954	0.1181943	-0.5331373	0.8628565	0.30173433	-0.07777864	0.46470153	0.41233212	-0.5550891	0.73945874	-0.464361	0.52653897	0.05376136	0.2318238	0.3833683	-0.9597554	-0.2659285	0.5451809	-0.19497995	0.21515492	0.44917622	-0.18191123	0.6684919	-0.55192506	0.14230749	0.027832074	0.35253373	0.25032452	-0.94773227	-0.9747467	-0.4543119	0.7628272	0.064243875	0.19490634	-0.25070286	-0.6428415	0.10819921	-0.99998194	-0.50013644	-0.64800954	-0.939626	-0.5522984	-0.7181284	-0.3437912	0.5277556	-0.15462905	0.144306	-0.17969286	0.054076638	0.122375764	-0.6094154	0.76561683	0.9997695	-0.17256519	-0.57667416	-0.56409043	-0.6252059	-0.1609593	0.26942095	-0.001726644	0.38648108	0.8532906	-0.9998087	-0.20554745	0.443516	-0.39241165	-0.99933034	-0.53846586	0.076727584	0.3755561	-0.1854465	-0.19649516	0.30088398	0.7398093	-0.43376225	-0.04204526	0.778851	-0.4041604	0.1835717	-0.02710557	-0.416523	0.5553939	0.48715755	0.38859153	-0.4728643	0.33071673	-0.33266854	0.99814165	-0.24644244	-0.15608531	-0.12108556	0.7262588	0.6262771	-0.94215393	-0.47973987	-0.046661396	-0.46264008	0.66375315	-0.99977136	0.4059667	-0.59702605	0.015065139	0.12889597	0.45457703	0.40635815	0.48508275	-0.9989471	-0.3325365	-0.64222604	0.6405213	0.055342916	0.17038225	-0.46386805	-0.4876936	-0.25759083	-0.9761835	-0.6840617	0.5349048	0.468779	0.30692646	-0.760099	-0.2642672	-0.855403	-0.60390455	0.809545	-0.22707397	0.22029234	0.73309195	-0.8008793	-0.15755887	0.58211493	0.14638446	-0.4310715	-0.5941057	0.5942901	0.30797136	0.062295973	0.3776756	-0.5716186	-0.996131	0.28957254	-0.6667336	0.8693577	0.32633165	-0.005290615	-0.001863532	0.07465546	0.12914054	-0.65194374	0.31760705	0.28254086	0.49652365	0.11913331	-0.28340527	-0.2740928	-0.7424558	0.41262174	-0.1240049	0.6374494	-0.06274411	-0.3113635	-0.02878699	-0.1328314	0.025568532	0.07602237	0.22350587	-0.33475894	-0.99995357	0.3765914	-0.48346722	0.3945821	0.046115447	-0.03693185	-0.6322534	-0.42571837	-0.36248893	-0.44606787	-0.6438579	0.16292171	0.58020836	-0.7505282	-0.42246878	0.99166685	0.103550956	0.30748072	-0.25698185	-0.8657677	0.27923542	0.020432858	0.19115064	0.58754396	-0.018198285	-0.29917115	0.79502004	0.60028166	0.03409259	0.10019337	-0.6112	0.8979108	-0.54724807	0.25687563	-0.08803723	-0.551657	0.63430226	0.3198839	-0.37119055	0.50561374	-0.012101246	0.64345074	-0.7729254	-0.2597633	0.3558633	-0.30313155	-0.6639433	-0.5290492	0.35245335	0.5362034	-0.6907297	-0.33008626	-0.5509257	-0.030542346	-0.09103224	-0.0977872	0.69186723	-0.3315614	0.42273822	0.9745456	0.37890548	-0.046996146	0.99868184	0.47475713	-0.7862428	-0.42109495	-0.42108333	0.17878906	-0.3426296	0.12739265	-0.07027461	0.27166128	0.86599565	-0.6410188	-0.6302629	-0.71120864	-0.23935033	-0.37450126	-0.030280493	-0.987274	0.46417406	0.64450693	-0.4602812	-0.32885045	0.6781368	-0.17820543	-0.21143007	0.99998385	-0.86422735	-0.6559517	-0.48050988	-0.14861383	-0.03619351	-0.32193342	0.16215341	-0.64319104	0.28820682	-0.9989989	0.000455063	0.26338238	0.26402873	0.24214587	-0.048508015	-0.632728	0.15908498	-0.8452484	-0.06969594	-0.60501087	-0.08338485	0.9003741	-0.39578792	-0.6081262	0.10712249	0.3741572	0.43300992	0.592247	0.5291739	-0.29117447	-0.6983188	0.04466769	0.107144356	0.37890485	0.054749113	0.25657335	0.495732	0.2515255	-0.44240928	-0.10474996	0.5445149	0.26767802	0.017241146	0.67358416	-0.28544572	-0.58663493	0.17339556	-0.5338248	0.7256047	0.32927448	0.513353	-0.26384118	-0.9851836	0.2877815	0.2724083	0.33313584	0.41977116	-0.05592236	0.2661618	-0.42625368	0.9992362	-0.29313177	0.6753388	0.2705004	-0.18922032	0.5650296	-0.27052665	-0.701696	-0.66094095	0.7212741	0.17645216	-0.45094806	-0.39135784	-0.42829433	-0.5742425	-0.13446505	-0.7460416	-0.10099661	-0.9806523	-0.29221448	0.32980388	0.40968838	0.80105567	0.3580104	-0.109103926	-0.085125856	-0.5379604	0.17492369	0.5306709	0.7012148	0.64689803	0.09770714	-0.6352447	-0.2739993	0.06716423	0.11239874	-0.002527822	0.2867459	-0.77216476	0.25159296	-0.5724453	0.09266062	-0.09632317	0.9865705	-0.3594386	0.58355	0.14521067	-0.08850287	-0.22600842	-0.75384164	-0.39439362	-0.472043	0.38286188	-0.11037792	-0.28332338	0.3955131	0.7249048	-0.3010498	0.6188715	0.95213115	0.029643677	-0.98455554	0.41665846	0.9980839	-0.039913967	0.23557343	-0.98649186	0.25784674	-0.69420576	0.018762434	-0.45609602	-0.17493446	0.6155686	-0.34359586	0.00897806	0.49858454	-0.52977145	-0.28788123	-0.4528472	0.5181403	0.032957077	-0.9996319	0.99999446	0.72790074	-0.31838098	-0.52096456	0.079489395	-0.15793109	-0.1545604	-0.31665987	0.11105293	-0.206207	-0.67137027	0.446754	0.37537366	-0.11015676	-0.73086387	0.3937645	0.1340654	0.3248448	0.98089266	-0.9945516	-0.039232053	-0.3567222	-0.66995555	0.30492815	-0.03426817	0.5134483	-0.36702698	-0.12867261	0.13125479	-0.577897	0.43319187	0.34258607	0.78223556	-0.336762	-0.1314481	-0.23402081	-0.7495022	0.72004896	-0.4196547	-0.4618807	0.40961558	0.22919577	0.5735	-0.98175895	-0.020000221	-0.42992777	-0.16921459	0.2295177	-0.7412756	-0.03454152	-0.6855441	-0.0935189	-0.048048016	0.40222356	0.999682	0.4482492	0.7211422	0.103105105	0.04304629	-0.41610113	0.9999848	0.05893827	0.084473014	0.4854802	0.35106748	-0.25723276	-0.15485112	-0.99946755	-0.34291267	0.32055983	-0.09349615	0.8537934	0.7959767
390	0	C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl	-0.24245492	-0.5711731	0.46568933	-0.13063248	0.2877046	-0.14542502	-0.4150934	-0.28673604	-0.0534293	-0.26429746	-0.09453894	-0.4539126	0.24914011	-0.3030088	-0.023122415	-0.10901492	0.5547384	-0.22062202	-0.026266137	0.40824163	-0.053321913	-0.335863	-0.76726156	0.072611354	-0.26719692	0.29560146	0.15301237	-0.13648531	0.35459617	0.054464705	0.49431148	-0.20753004	0.6667438	0.15397464	-0.52004987	0.08853274	0.29531863	0.16166566	0.98708576	-0.88140535	-0.82582754	0.5879307	0.1919864	0.32599196	-0.64025724	-0.896433	-0.38581988	-0.11783605	0.92508394	0.31951097	0.6292483	0.3240342	-0.21821387	0.03658376	-0.7630829	0.57544667	-0.2726229	0.60603034	0.37061498	0.3163553	0.28426737	0.39150533	-0.086095534	0.25942564	-0.5260502	0.027936041	-0.30311096	0.11344592	-0.16236751	-0.5872608	-0.6700825	-0.84321344	0.44696522	-0.28698146	0.85485405	-0.5858549	-0.38529152	0.25854683	-0.76541823	-0.9990165	0.5449819	0.015220352	-0.94910604	-0.35275573	0.07612419	-0.7633719	-0.0253209	0.53506714	-0.43718445	0.35650787	0.22359517	0.5113685	-0.370108	0.44848585	0.9784374	-0.07424426	0.7450249	-0.5913655	-0.6168961	0.022186492	-0.1999553	-0.1828109	-0.058607128	0.87734425	-0.810062	-0.68747354	0.029680913	0.50442445	0.9816118	0.12835202	0.67169726	-0.21720816	0.056827787	-0.19404443	0.13376221	0.3548491	-0.36460006	0.61427593	0.996203	0.019757692	-0.5301758	-0.48381156	0.071234226	0.26460737	-0.47603947	0.28011796	0.3145432	-0.18379878	0.48896125	0.99972767	0.5472202	-0.3507009	0.12236041	0.25331894	-0.12216066	-0.9925784	-0.16839357	-0.14660954	-0.15169753	-0.64862764	-0.99987495	-0.6564979	0.9725497	0.60356414	0.76299757	0.6999964	-0.012293401	-0.28939664	0.26318908	-0.13912272	-0.17093626	-0.84535	0.38957593	0.22955462	-0.4321709	0.47637105	0.50890845	0.9452808	-0.39189413	-0.8775455	-0.9497575	-0.43962914	-0.40057445	-0.22604772	0.23535419	0.6157776	-0.2893452	-0.004606117	0.07976504	-0.107061245	0.34149545	0.32474	-0.3998356	-0.37224317	0.38462213	-0.6807732	-0.58831424	0.41533667	-0.4920707	0.30688626	0.14632149	0.06977991	-0.010178936	-0.12612641	-0.43409717	-0.40626392	0.033422157	0.24523513	-0.5512883	0.089054264	-0.54984635	-0.6112362	-0.29968685	-0.019440128	0.23256747	-0.000319537	0.7445286	-0.75482106	0.7203718	0.7020099	-0.3349849	-0.30425394	-0.30180013	0.13126032	0.099916995	-0.029802574	0.49277607	-0.078288585	-0.1456275	-0.9996187	-0.38913518	0.27935597	-0.046653572	0.49335757	-0.4586469	-0.04242276	0.13681807	-0.29329464	-0.5591811	-0.11143463	-0.2654458	-0.16763319	0.13313898	-0.2726871	-0.97732574	0.03878034	-0.042882275	0.19402488	0.004042597	0.3281725	0.12884712	-0.6012916	0.4334327	0.30478752	0.54802805	-0.11437012	-0.37306237	-0.17180142	-0.20771025	0.15898387	0.9128601	-0.22858311	0.23038016	-0.4196127	0.717559	-0.6655297	-0.03963203	-0.3542491	0.44414914	0.37762251	0.06560926	-0.97118807	0.017774984	-0.37861794	0.055204183	-0.26681253	0.83897156	-0.19542862	-0.56789005	-0.11251411	0.19369717	-0.4017207	-0.034256294	0.124099486	0.041814674	-0.4836187	-0.03705726	0.024878776	0.76391524	-0.12216243	0.2994968	0.9884615	-0.16915599	-0.4569662	-0.5414082	-0.49062786	-0.006672398	-0.64929545	0.13671933	0.33533353	0.5625577	0.9987635	0.43310413	0.30960757	-0.5375315	0.32595235	0.58345205	0.82970655	0.9645684	0.08511786	0.2830712	0.994219	-0.45433784	0.6601481	-0.29652444	-0.89574057	0.99996877	-0.9900602	-0.51440215	-0.28503713	-0.25170308	0.42154992	-0.087395154	-0.016213696	0.6329545	-0.5426725	-0.10657888	-0.05897676	0.5892543	0.1908134	-0.25444025	0.17263752	-0.4182641	-0.20970696	0.8261435	-0.7631957	0.10028832	-0.22907224	-0.9999114	-0.38284105	0.24342296	0.24930151	0.36152858	-0.5228789	-0.036019575	-0.18092944	0.44319397	-0.72039133	0.9117427	-0.19859158	-0.6082079	-0.5986067	-0.15945056	-0.09894781	0.17202719	0.4734454	0.08815268	0.8074856	-0.3980118	0.3989017	0.4761977	-0.6047731	0.3467699	0.65045655	0.728731	-0.3299873	-0.67775375	0.5947845	-0.68695015	0.19463418	-0.98404473	0.095853835	0.35030112	0.04340551	0.432141	0.21223567	0.54552174	0.99976075	-0.09118374	0.14367431	-0.37560457	0.12222194	0.5219174	0.44296995	-0.75784546	-0.09052509	0.552396	-0.4416833	0.000541764	-0.4436348	-0.583742	0.4361125	-0.20203152	0.104095004	0.025053808	0.99636763	0.112433404	0.19631864	-0.07423291	0.68787456	-0.2363321	-0.23882994	0.08539985	-0.4097969	0.12953013	0.14554097	0.38011208	-0.18807067	-0.16089213	0.3748554	0.004675522	0.57396036	-0.20726113	-0.45382857	0.097484335	-0.5497251	0.043119725	-0.81475794	0.17987236	-0.5096311	-0.5936689	0.21803595	0.5142078	0.6489552	-0.156512	-0.015136137	-0.764692	-0.46095872	0.6044762	0.5741002	0.041046523	0.28483993	0.6336123	0.11916274	0.17994182	0.36166635	0.9999998	-0.15012912	-0.9365974	0.09892752	0.99919057	-0.7455217	0.19374922	-0.99993485	0.5668215	-0.42220125	0.058050882	-0.5788615	0.05842284	-0.17198303	-0.26721004	-0.20101506	0.06044657	0.52894074	-0.131494	0.06794367	-0.15913513	-0.3179021	-0.9999578	0.9947459	-0.8504578	-0.03057011	-0.13970052	-0.3334742	0.526496	-0.6612971	-0.41800335	-0.39108723	0.6043935	0.4347019	-0.59210956	0.1807163	-0.36923012	0.30397987	-0.3835895	0.18925707	-0.46817774	-0.46295303	-0.99977314	0.36106825	-0.6604018	-0.32541355	0.20163405	0.635313	-0.9718836	-0.44576308	0.12224837	-0.08141303	-0.09016645	-0.1948388	0.5223523	0.9559606	-0.027305517	0.6244946	-0.10972273	0.52016735	0.045232978	-0.37026772	-0.6838711	-0.57403857	-0.054029763	-0.41572076	-0.19925684	0.65494204	-0.20218816	0.0628543	0.08368564	-0.5362268	-0.10853416	0.3836993	-0.3884512	-0.19760714	0.5910947	0.94805545	-0.29506528	-0.3300859	-0.4199009	-0.16819027	0.46983024	0.9999187	0.49473158	0.12298565	-0.22585048	0.111398414	0.37339118	0.3407558	-0.9660041	-0.15181065	0.42428082	0.0327591	-0.41647536	0.7090574
391	0	COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1	-0.2032441	0.061540704	-0.43438184	-0.5561452	0.322542	0.10122356	0.53687596	-0.039348997	0.62091625	0.44317758	0.44923782	-0.037932392	0.022313349	0.67836773	0.17642851	-0.65877235	-0.13324746	0.05319013	-0.3854568	-0.5486085	0.29612508	0.5545982	0.65260714	-0.14646186	0.4407036	-0.43239912	0.5390345	0.2751004	0.12915118	-0.0601319	-0.028069738	-0.07564318	0.47838774	-0.04341158	0.55924445	0.4052355	-0.57843494	-0.6285203	0.99818426	0.31023964	-0.45264784	-0.22493666	-0.66485375	0.1964515	-0.35069874	-0.53664935	-0.69533336	0.1853964	0.1858918	0.35571036	-0.08879517	0.8371176	0.34955552	0.2909334	-0.24837945	0.10798149	-0.4857537	-0.6768083	-0.13267803	-0.4209224	0.7805142	-0.1993204	0.34615582	-0.2463579	-0.49429995	0.2954092	0.1575624	-0.6473409	0.4382144	-0.5699871	-0.904207	-0.9956398	0.31485108	0.25183558	-0.008210822	-0.21242724	0.37294462	-0.31019703	0.6705083	-0.9997893	-0.8401122	0.31506267	-0.9202709	0.32389453	-0.33819133	0.22389464	0.08902322	-0.12788548	-0.21434616	0.42304254	-0.47789243	-0.68467295	-0.4949087	-0.39318535	0.9997983	-0.29274026	-0.4839399	-0.58836544	-0.24520558	-0.16502567	-0.31401598	0.5459819	0.27744368	0.3418946	-0.98801786	-0.69142413	-0.007781747	-0.48404372	-0.9995511	-0.39429998	0.30945915	0.2572958	-0.18828999	-0.36053374	0.6678994	-0.10070733	0.004435979	0.18165551	0.9957343	-0.6758643	0.60069275	-0.73902	-0.16065443	0.7359065	0.110580176	0.309819	-0.20629798	0.1720691	-0.08966431	0.9902179	-0.33436373	-0.70633465	0.6547367	-0.011370179	-0.094494246	-0.9133692	-0.09533363	-0.003429597	-0.3345973	-0.18732658	-0.9999798	0.12907377	0.09833999	0.47954285	0.19002424	0.41171095	0.31995213	-0.381071	-0.7260471	-0.44458234	0.32922477	-0.5825068	-0.6041014	-0.5398334	-0.21458401	0.76570684	-0.35959047	0.25718555	-0.26838002	-0.083549	-0.8643293	0.81098557	0.06062734	-0.6017879	0.663043	0.15828577	-0.07796788	-0.006585964	-0.57106847	-0.367892	-0.6830852	-0.70199835	-0.6377024	0.3048121	0.39990377	-0.73842907	-0.24632102	-0.3397208	-0.5746813	-0.13652448	-0.27420604	-0.9959524	-0.5901424	-0.16393484	0.7715296	-0.5928881	0.2806887	0.1618492	0.55439657	-0.40214133	0.62376213	-0.1978158	0.31082803	-0.41869792	0.09636117	0.34577733	0.18647465	-0.083768584	-0.49695557	-0.43950757	-0.46017358	-0.708429	-0.25833666	-0.01751894	-0.6194826	-0.19754364	0.38206765	0.33363083	-0.5787377	-0.9996821	0.1392638	-0.31748798	0.6037435	-0.08060898	0.61701536	0.42976725	0.040654715	-0.34112558	-0.036414266	-0.2346574	0.56976146	0.5264729	0.31434777	-0.47374937	0.9934947	-0.38266447	0.054739866	-0.55500793	0.25682068	0.12756392	-0.45987067	0.3005342	0.6762327	-0.18187737	-0.5188415	-0.73753613	-0.035639126	-0.6717422	-0.5216158	0.22955859	0.3638778	-0.057207014	-0.04442203	-0.4952187	-0.65846246	0.009008178	-0.26380125	0.50771856	-0.36944908	0.48782665	0.41074002	-0.975911	-0.4518409	-0.6342207	-0.40117723	-0.21236834	0.36698434	0.27127543	-0.04749999	0.3200245	-0.19931537	-0.09034744	0.30223706	0.109502755	0.045985516	0.3482927	0.059378654	0.7396735	0.56736374	0.3375588	-0.77030754	0.9979617	-0.55435354	-0.3778526	-0.37709105	-0.6763747	-0.13934429	0.11162734	0.2332207	-0.63289386	0.17774627	0.99779063	-0.34643152	-0.523192	0.7013457	-0.3140179	0.3362469	-0.7316837	-0.939767	-0.15358567	0.23000287	0.94934547	-0.77711725	0.8723666	0.24380316	-0.2406519	0.9999839	-0.67900735	0.090954654	0.58270454	-0.3696214	-0.5402041	0.42097098	-0.33380467	0.85052973	0.7212368	-0.92033774	-0.6674754	-0.29220185	0.33692947	-0.6247201	0.33199435	0.23856178	0.51314086	-0.731829	-0.29476404	-0.37922844	0.2018007	0.9351621	-0.46176288	-0.23714699	-0.4014815	0.58124274	-0.16827315	-0.23641108	-0.32872277	-0.18526062	-0.4910348	-0.2828482	0.108126305	0.7097874	-0.11896605	0.6464503	-0.53865725	-0.16276853	-0.8467644	-0.57163185	0.047315855	-0.34123978	-0.060766023	0.29886395	0.18958169	0.23837318	-0.4892926	-0.60525405	0.53196496	0.3481965	0.7599692	-0.6214419	-0.7185545	-0.893736	-0.077003755	-0.42703065	-0.14502716	-0.3272728	-0.48900694	0.06168714	0.99947137	0.3557923	0.16606514	-0.4795561	0.8018664	0.048181485	-0.15136579	-0.13546066	-0.1391202	0.6595956	0.72050947	0.122855864	-0.19753839	-0.33784357	0.35774055	0.40542555	-0.69706714	-0.13636117	0.99590045	0.51142824	0.32549918	-0.10660733	-0.28026286	-0.1761853	0.55888283	-0.55336875	-0.15604231	-0.7626395	0.43126225	0.38291258	0.28669977	0.42777053	-0.106861606	0.054587543	-0.6791134	-0.06250279	0.68032545	-0.278794	-0.6358768	-0.3275724	-0.11455989	0.6495694	0.39312038	0.94505686	-0.50088626	0.15428102	-0.08941498	0.13870063	-0.4585867	0.09983983	0.015528988	0.21855691	0.33974025	0.1698791	0.40829524	-0.25553092	0.09562441	-0.648851	-0.3292995	0.91113085	-0.19518484	-0.98034704	-0.10055041	0.9993864	0.35570085	0.21059057	-0.9749982	-0.16575365	0.051850878	0.60849357	-0.17302728	0.2916441	-0.05376322	0.45738786	0.32025978	-0.6130656	0.0713474	0.2977693	0.3292621	-0.09663313	-0.13567828	-0.99998873	0.99445873	-0.6843264	-0.6068462	-0.088159315	-0.03134545	0.20461331	0.17956473	-0.636196	-0.21734715	0.007421908	-0.26053804	0.3031922	0.041690677	0.19287717	-0.3493099	0.45072737	-0.48236522	0.3409369	0.23621279	-0.9999363	0.121115156	-0.36268225	-0.22845167	0.021390116	0.12910701	0.60275054	0.42020664	0.25806168	-0.18655176	0.5555206	0.16293779	-0.31764394	0.80302966	0.12208957	0.2720739	-0.78820896	-0.43863675	-0.7926297	0.45776412	0.324817	0.32273188	0.3502464	0.8682304	-0.9179313	-0.36584687	0.16870506	-0.33038825	0.3514717	-0.36270887	0.036412288	0.18137161	0.5144805	-0.32626894	0.368028	0.98679936	0.71941	0.44487435	0.71238583	0.3935055	-0.4920889	0.9999278	0.39500198	0.1112486	0.47779208	-0.11979433	-0.09554409	-0.31261504	-0.99744827	-0.4793729	-0.68385607	-0.008177199	0.165848	-0.7787794
392	0	Cc1cnc(C2=NC(=O)C(C)(C(C)C)N2)c(C(=O)O)c1	-0.38111392	0.117362656	-0.38354126	-0.31039828	0.4740745	-0.022352325	0.6755932	-0.37974048	0.6717675	0.16854471	0.35606244	-0.12903692	-0.083108686	0.7038186	-0.25761658	-0.716043	-0.10652772	-0.3050327	-0.20344639	-0.07688455	0.5415993	0.42303488	0.669306	-0.04443783	-0.106422104	-0.5076995	0.41786817	0.39130664	0.20632087	0.19329771	-0.3952877	0.094024494	0.2890666	0.14856663	0.6747841	0.78806263	-0.8155804	-0.50761026	0.9960868	0.058380213	-0.84635454	-0.17310373	-0.6278306	0.37636113	0.034866534	-0.80501693	-0.5727705	0.15025067	-0.16719356	-0.21125987	-0.23963457	0.77953714	0.13358703	0.21924236	-0.4008487	0.056081068	-0.69480973	-0.4438326	-0.4421845	0.0588156	0.22286494	-0.24769457	0.33992088	-0.632443	-0.29550368	0.35649604	0.11443304	-0.5113969	0.6587279	-0.1903786	-0.8980788	-0.9945337	-0.15488036	0.28452864	-0.13915046	-0.15377378	0.47889635	-0.2077621	0.66832393	-0.9995902	-0.83499223	0.31801423	-0.9499426	0.5876924	-0.19429122	0.121115625	0.36580274	0.073017806	-0.20705886	0.30189076	0.06404946	-0.75203735	-0.40512848	-0.63055634	0.99933153	-0.066822685	-0.56112343	-0.35946137	0.064786136	-0.22896165	-0.26021838	0.5160543	0.43608817	0.4703433	-0.9640975	-0.5324899	-0.10243742	-0.4937998	-0.9997674	-0.3244067	-0.23822595	0.10851975	-0.5813036	-0.48433203	0.7433211	-0.14797953	-0.39898565	0.3708453	0.997977	-0.68438655	0.3471693	-0.7656629	-0.08230836	0.1489349	-0.12216177	0.150845	0.007139643	-0.18358548	0.57878995	0.9953986	-0.3590204	-0.83340716	0.608057	0.06934715	0.30484402	-0.8887819	0.1062081	0.41428113	-0.39664	-0.06678748	-0.99999154	0.44905388	0.3629183	0.20849626	-0.090339504	0.1443536	0.36408174	-0.18182567	-0.23164123	0.1399795	-0.26125768	-0.48602825	-0.5253567	0.093954034	-0.089254685	0.83507067	-0.33160582	0.7002573	-0.30258423	-0.04525218	-0.90324384	0.6049631	0.31300196	-0.115321524	0.48893744	-0.36871898	0.29660583	-0.29484323	-0.153526	0.0801075	-0.65851295	-0.6618408	-0.30538794	0.0651686	0.2372783	-0.88113266	-0.4084381	-0.42158228	-0.29381764	-0.45241448	0.50523835	-0.9895529	-0.49871543	-0.61524785	0.607061	-0.48862055	-0.19221812	-0.08570083	0.6372658	-0.7210043	0.60479575	-0.25164428	0.53488773	-0.05103312	0.55327076	0.29769355	-0.13832942	0.044935945	-0.5036261	-0.45959666	-0.4273617	-0.67239934	-0.4539633	-0.099111944	-0.37411293	-0.39955482	0.084680915	0.2793722	-0.45434526	-0.99954444	-0.056810852	-0.26461422	0.2268711	0.07561103	0.20450073	-0.33473253	0.099623136	0.23183002	-0.21269679	-0.29171303	0.70462537	0.62905496	-0.06361636	-0.2509273	0.9942241	-0.002649409	0.26057965	0.15644224	0.05469921	-0.4141308	-0.6420542	0.277162	0.7378767	-0.19206652	-0.6189607	-0.5277361	0.26267505	-0.46176246	-0.13431343	0.29235625	0.0337011	0.14298949	0.081333816	-0.7899787	-0.7454981	0.34273967	-0.48093584	0.45312157	-0.006808285	-0.029365307	0.10404312	-0.97636217	-0.10827095	-0.592175	-0.24837203	-0.6701312	0.41062793	0.24050978	0.029055448	0.5100527	-0.4779131	0.38606292	-0.013150793	-0.43851694	0.4937151	0.5158006	0.3130884	0.017451081	0.2912504	0.15999949	-0.83270967	0.99155647	-0.6121157	-0.32572255	-0.09813107	-0.15429443	-0.20083687	-0.43438277	0.23480192	-0.7859181	0.51148415	0.9988536	-0.6252351	-0.3283634	0.5699529	-0.25917163	0.02820289	-0.7562542	-0.88018036	-0.3948832	0.3651138	0.98190135	-0.69719374	0.6784547	-0.062823586	-0.20627975	0.9999932	-0.6553491	0.47806674	0.70417833	-0.36296245	-0.47417113	0.33337516	-0.5842293	0.75626934	0.6370257	-0.7164663	-0.5426914	-0.26674867	-0.30804297	-0.56119627	0.34625712	0.2829724	0.59343314	-0.6927672	-0.4210161	-0.546938	-0.097507015	0.9251296	-0.5597014	0.17370933	0.0898398	0.5043589	-0.13007534	-0.5450092	-0.078378566	-0.42771783	-0.7340787	-0.55364513	-0.026129415	0.73039204	0.1274664	0.39626467	-0.38216972	-0.44056785	-0.8116327	-0.32751235	0.3845221	-0.58600366	0.23355763	0.016995301	-0.08046643	0.27603924	-0.4605673	-0.5671957	0.25546044	0.73464584	0.59649646	-0.3704769	-0.51977473	-0.9473166	-0.14125906	-0.45667595	-0.39153448	-0.338162	-0.68399763	0.28662997	0.9996725	0.03953408	-0.20812087	-0.53666085	0.7911598	0.056197967	-0.6413571	-0.19257995	0.20612912	0.8062321	0.799789	-0.021402862	-0.5185702	-0.28666207	0.12323993	0.5543988	-0.5045046	-0.34361333	0.9932799	-0.017083995	0.4994832	0.12038638	-0.51501924	-0.48297545	0.5297684	-0.6432325	0.020077758	-0.78408533	0.5888083	0.27925172	0.099363625	0.31046578	-0.071914904	-0.04643148	-0.5270024	-0.26568303	0.36551648	0.038457006	-0.6013703	-0.44501686	-0.30627415	0.67762274	0.53114825	0.8743038	-0.13461116	0.019532757	0.011551526	0.3326699	-0.5066683	-0.006655098	-0.13684548	-0.14431615	-0.0804017	0.57197714	0.4045444	-0.43699417	0.090996414	-0.712526	-0.16594788	0.9439767	0.13221039	-0.9831053	-0.10029737	0.9995161	0.5020537	0.02335613	-0.96683985	-0.35595492	0.4896571	0.4013879	-0.060891975	0.21763843	-0.06731241	-0.121748626	0.2327996	-0.537373	-0.08528788	-0.051224127	0.447642	-0.3216658	0.29811144	-0.99999285	0.9968009	-0.83150893	-0.18627402	-0.14301401	-0.117787614	0.26853377	-0.08755564	-0.7784961	0.2603535	0.17694084	-0.09994078	0.3176593	0.3097529	0.2923505	0.03334214	0.6947187	-0.47767422	0.32687965	-0.21122228	-0.9999681	-0.04399905	-0.37785482	-0.32281324	0.06796287	0.2406395	0.10350618	0.3707015	-0.015099087	0.063498944	0.0586576	0.5301841	-0.47791263	0.8012055	0.39214548	0.26973444	-0.5033017	-0.7108445	-0.84328485	0.40905273	0.070142224	0.48168057	0.38142335	0.72662765	-0.8367592	-0.7031267	0.21143597	-0.3177617	0.6792318	0.054432828	-0.24982378	0.04617608	0.4906977	-0.47346875	0.2145103	0.96020705	0.28955734	0.473975	0.5380066	0.2897323	0.0354104	0.9999265	-0.16575599	0.14335841	0.39691666	-0.5210387	0.15217844	-0.33231643	-0.9948896	-0.44826216	-0.65046763	-0.014125099	0.108694695	-0.81867
393	0	CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O	-0.31792718	0.010596794	-0.70898426	-0.46512184	-0.39546782	-0.26314604	0.08304973	-0.27972293	0.35489875	-0.04124287	-0.41090575	-0.2729601	0.5346768	0.18494366	-0.41895813	-0.34516576	0.06267377	-0.26351097	-0.33709997	-0.26182196	0.18122785	-0.19425647	-0.42237508	-0.3447791	0.09900449	-0.22164275	0.4944897	0.25305855	-0.3066493	0.52186716	0.2763113	0.17507184	0.01686943	-0.114815354	0.3592474	-0.0633188	-0.5270355	-0.6177291	0.99285007	-0.058007423	-0.6443661	-0.01685589	-0.02718374	0.39827326	0.6026526	-0.89322734	-0.61880296	-0.16483743	0.3872088	0.17430384	-0.42152366	0.8595748	0.26042494	-0.4207491	-0.40451407	-0.01139284	-0.61948955	0.22188064	0.32288635	0.12310428	0.7110559	0.09602972	0.21004838	0.2228099	-0.1803932	0.07775935	0.66441345	-0.6564929	0.37736356	-0.38622132	-0.93463975	-0.9954909	-0.122493945	0.17973979	-0.68201995	0.013118102	0.27769354	-0.30526134	0.403614	-0.99991965	-0.8025444	-0.2516505	-0.7997172	0.2576386	0.41147807	0.29935816	0.37758216	0.10424333	0.009448194	0.5691643	-0.13875885	-0.65417045	-0.43707567	0.21808647	0.99983644	0.00111141	-0.5216118	-0.68333673	0.4840826	-0.10482992	0.34046876	-0.37243626	0.4208715	0.39319268	-0.9114416	-0.8271412	-0.32924765	0.38920802	-0.99975044	-0.17629321	0.848515	0.18240876	0.1739477	-0.114728175	0.8021154	0.26238036	-0.26949212	0.19369093	0.9978497	-0.7161113	0.4659803	-0.61399394	0.11639688	-0.10779997	-0.3425372	-0.76599157	-0.4767051	0.19996113	-0.004119253	0.9905197	-0.3059043	-0.32466763	0.23282859	0.25509116	-0.46976098	-0.8876211	-0.5747281	0.5154814	-0.543914	-0.4590092	-0.9999768	-0.091780186	0.48613003	0.59312886	-0.6010672	0.20946719	-0.012321497	0.35234454	-0.04319167	-0.27946073	-0.1447154	-0.4869055	-0.18304649	0.73031926	-0.8381444	-0.307019	-0.17141968	0.85087097	-0.5762773	0.26409867	-0.9591343	0.7070545	-0.1314114	0.06874501	0.49188572	-0.30651546	0.34580848	0.7759417	-0.44174987	0.22661495	-0.6360837	-0.47596845	-0.25988808	-0.3909902	0.025006	-0.83255565	-0.37441	-0.26934376	-0.13577914	0.5238585	0.20191704	-0.9965746	-0.15151216	-0.79428375	0.23145059	-0.16719848	0.14464112	-0.25001398	0.16798712	-0.3224156	0.6944704	0.010303467	-0.6062185	-0.31605634	0.20141253	-0.07996277	-0.33127332	-0.3972905	-0.41943645	-0.2449135	0.53433865	0.26059103	0.067830466	-0.70420116	0.18414414	-0.16086197	0.68181187	0.69197404	0.027345844	-0.9997238	0.15706033	-0.316477	0.48003843	-0.062456615	0.6086453	0.060815696	-0.10093222	-0.23974448	0.2851926	-0.15101776	0.6913611	0.6608706	0.21626347	-0.118470944	0.9911375	0.09048432	-0.28652474	0.35547453	0.32361856	0.326369	-0.32572305	0.18163611	0.7164683	0.38650385	-0.12818329	0.07783991	0.59009445	-0.22127447	-0.09769804	0.16932972	0.4466061	-0.17181227	-0.17461506	-0.61834633	-0.27692595	-0.5541281	-0.4786078	0.32463193	-0.18633862	0.3295037	0.4959758	-0.9764368	-0.77543914	-0.120139115	-0.20183697	-0.07274718	-0.35488483	0.13964707	0.037607126	0.033502143	0.23175615	-0.09426438	-0.34988463	-0.4520031	0.16732055	0.73591554	-0.22906001	0.40695035	0.67214626	-0.17829673	-0.2032763	0.9759954	-0.7637216	-0.09358844	-0.55528134	0.31811666	-0.84123635	-0.34532118	0.5042888	-0.40975225	0.23040505	0.9986452	-0.2000337	-0.15879825	0.48659852	-0.49052134	-0.157253	-0.8296327	-0.917087	0.8185192	0.17364839	0.98874354	-0.4232149	0.85169214	0.11654253	-0.15769507	0.99999654	-0.5994289	0.5614724	0.30406168	-0.13597417	-0.6523644	0.089585975	-0.6081875	0.52778244	0.8488667	-0.24865927	0.05046675	-0.04599017	-0.20812605	0.15397169	-0.6453741	0.002114225	0.2563868	-0.7184348	-0.30069783	0.13847925	0.27555606	0.896686	-0.34079117	-0.45639068	-0.047895256	0.15414882	-0.4535595	-0.5797359	0.30068368	-0.70178586	-0.4947712	-0.31571805	-0.3866161	0.69414794	0.31311598	0.49386755	0.36221212	-0.34297967	-0.84922934	-0.06734501	0.5628856	0.003322082	0.29803964	-0.46091974	-0.026584672	0.3139324	0.293839	-0.18295845	0.65995246	0.5730485	0.595887	-0.32718134	-0.10980897	-0.96428347	0.105034746	0.5709799	-0.14198582	0.3539243	-0.5911789	-0.23440151	0.9993766	0.18121698	-0.16794895	0.10521188	-0.18561569	-0.19848981	-0.3117026	-0.30800694	0.5829558	-0.11029045	0.34996864	-0.3665271	0.24436143	-0.547745	-0.1318815	0.35511512	-0.45857567	-0.6855027	0.9940956	-0.11274335	-0.19104877	0.08369273	0.09784069	-0.50707656	-0.10278355	-0.531177	0.29197598	-0.03837088	0.85520524	0.26584417	0.48522127	0.45073053	-0.10759531	0.4833523	-0.70538455	0.35818043	0.027171029	0.42505482	-0.42910206	-0.5597927	0.07679319	0.6765382	0.47493514	0.87362605	0.111056164	0.013717238	-0.14486387	0.83404833	-0.003380495	-0.8582576	0.34561926	-0.35629433	0.16670853	0.37754786	0.22896197	0.25846946	0.54558825	-0.42614335	-0.593152	0.9678657	0.5894393	-0.9718287	0.03180668	0.9998856	0.12258134	0.24786532	-0.96520025	0.18828075	0.29657233	0.58405125	-0.05108213	0.39342725	-0.09575876	0.41097155	0.5792257	-0.6366137	0.05842693	-0.32241574	-0.32793415	0.21015738	-0.15372278	-0.9999765	0.99855995	-0.9167596	0.34678715	-0.61611736	-0.29928276	0.24303593	-0.45248866	-0.7990246	-0.4076429	-0.56280214	-0.5097466	0.0974641	-0.018133484	-0.20905522	0.04868874	0.5409864	-0.25049394	0.121481664	-0.46538827	-0.99991775	0.06887255	0.1328283	-0.2665258	-0.005506377	-0.5550363	0.3283233	0.33123678	0.062014457	0.15597653	0.65872586	0.69797486	0.5472949	0.93561447	0.6907175	0.642027	-0.034907613	-0.7682581	-0.57	0.3460234	0.75704944	-0.26738396	0.21696046	0.8084525	-0.8938296	-0.23265485	-0.084970996	0.10977006	0.09775992	-0.12108964	-0.3194932	-0.003075023	0.4457141	-0.81679106	-0.46057445	0.9377319	0.45605826	0.7916879	0.09759411	0.3452759	-0.7786452	0.999943	-0.059003074	-0.42814	0.2709774	-0.2263963	0.26857522	0.23041034	-0.98673165	-0.40838912	-0.16822441	-0.80112815	0.13647217	-0.6861081
394	0	CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O	-0.3036121	0.031644836	-0.7082859	-0.001827343	-0.13693376	-0.5033561	0.3555622	-0.044700388	0.31604928	-0.28984284	-0.3530032	-0.08070538	0.36077917	0.2081751	-0.38387322	-0.33708712	0.28373614	-0.3909093	-0.24372815	-0.509835	0.2901411	-0.20496209	-0.40847042	0.008997834	-0.00759289	-0.5986468	0.36707512	0.604489	-0.32722387	0.59038115	0.56019247	-0.03823842	-0.29796112	-0.06966791	0.49482945	-0.29063317	-0.4468764	-0.44288513	0.9988542	-0.03236437	-0.38937798	0.2957315	0.022594757	0.15592065	0.48020074	-0.4651602	-0.41146412	-0.24883091	0.32354495	0.197297	-0.41017205	0.87215924	0.4350303	-0.44147104	-0.3136768	-0.29979962	-0.6102197	-0.46893412	0.25958192	0.18652795	0.73156244	0.16331933	0.514535	0.3465032	0.118490376	-0.000124425	0.7469909	-0.42124924	0.010139009	-0.38373274	-0.9231537	-0.9638442	0.25970116	-0.46060735	-0.5828028	-0.048342217	0.000135796	-0.40512437	0.44135934	-0.99986553	-0.764597	-0.24828008	-0.8518471	0.44374657	0.118731745	-0.44643083	0.1619161	0.10869829	0.44052246	0.6151649	-0.2690061	-0.7549546	-0.5981523	0.033876415	0.9998002	0.06243358	-0.17247945	-0.6817525	0.06823175	-0.2596568	0.4442121	-0.23422953	0.6684508	0.563866	-0.99164474	-0.8159436	-0.22973448	0.6737976	-0.999556	-0.24739183	0.7914842	0.56330866	0.34982765	-0.27014536	0.7298285	0.38439092	-0.1408975	0.1869529	0.989094	-0.683063	0.23480181	-0.47144833	0.34942928	0.14082283	-0.5324215	-0.39499414	-0.30236936	0.4658282	0.141954	0.9987234	-0.05693898	-0.49866328	0.12122573	0.05428806	-0.34717312	-0.88126355	-0.5948038	0.41633603	-0.5062024	-0.47302547	-0.99999297	0.015596123	0.37774217	0.50183797	-0.5999749	0.27218938	-0.2622321	0.19187719	-0.8566467	-0.60657996	-0.067804515	-0.5566678	-0.25928488	0.66580296	-0.94223523	-0.43318552	-0.33158705	-0.06291825	-0.6405962	0.10985633	-0.8062683	0.78247625	-0.19906154	0.32764214	0.374066	-0.4012976	0.03030359	0.6238959	-0.5928244	-0.027448535	-0.5725312	-0.40702748	-0.31216696	-0.31938615	0.28713626	-0.79243153	-0.4661481	0.002599533	-0.014665754	0.5388073	0.355478	-0.9946209	0.29111108	-0.5148543	0.5677757	-0.46035597	0.45200995	-0.5065293	0.16445139	-0.30576372	0.6475619	-0.26528278	-0.77359563	-0.3012509	0.09151616	-0.06591029	-0.5965705	-0.46785542	-0.50306696	-0.40910617	0.7097564	0.46470907	0.31168514	-0.5771898	0.38118482	0.101778	0.67344373	0.6616423	-0.21167594	-0.9998842	0.49071768	-0.41605026	0.4163764	-0.22219755	0.6443838	-0.15808828	-0.13410906	-0.2989419	-0.043177713	-0.6517118	0.60036665	0.44380772	0.020848503	0.33916914	0.99184585	-0.2508141	-0.4297465	0.3751209	0.38648483	0.06362497	-0.440961	0.08234631	0.85103124	0.16709994	-0.09416397	0.11876145	0.6266894	0.080664255	-0.24938726	-0.019344665	0.61627764	-0.06606957	0.006823308	-0.5376184	-0.09539481	-0.54396546	-0.32755616	-0.095085345	-0.03517633	0.28190163	0.42367244	-0.8182423	-0.7642612	0.1943149	-0.101955675	0.02541957	-0.46186307	0.121506	0.2681303	0.15153083	0.26070598	-0.05775586	-0.11570511	-0.15967709	0.006570311	0.76676786	0.22777739	-0.07430605	0.5794388	0.016905632	-0.09717614	0.99075997	-0.7249712	-0.14884444	-0.60864335	0.2851622	-0.88248175	-0.21925749	0.49888906	-0.36704332	0.37177736	0.99569017	-0.32394946	-0.059636246	0.596151	-0.3231367	-0.1871209	-0.5346305	-0.9344785	0.8719277	0.53865254	0.8958554	-0.36500338	0.8086939	-0.15616557	-0.11762283	0.99999917	-0.8890433	0.54498327	0.08428	0.10406372	-0.57930285	0.15360457	-0.819936	0.56076604	0.7756716	-0.9450081	0.1695856	-0.00131192	-0.41017947	-0.24638672	-0.6961125	-0.18237583	-0.044656593	-0.6587782	-0.057563305	0.18893906	0.22379817	0.8265404	-0.25898635	-0.5024362	-0.112419814	0.3902129	-0.53177106	-0.69619524	0.25544676	-0.38530886	-0.6297106	-0.2726129	-0.25907782	0.6284637	0.3471563	0.7904446	0.49510476	-0.15276557	-0.44462442	0.046744123	0.4098796	0.15252553	0.6288899	-0.58909523	0.28734276	0.558113	-0.027232097	-0.5488545	0.75930434	0.4750175	0.54614383	-0.0848928	-0.7505411	-0.90677404	0.46021646	0.5419532	-0.26289594	0.43247813	-0.6394683	-0.12896566	0.9985772	0.20797889	-0.3048655	0.09984089	-0.3770119	-0.21039464	-0.21664158	-0.78759295	0.6441312	-0.13151976	0.45968097	-0.099857	0.06218464	-0.70724934	-0.01800277	0.3132909	-0.64772314	-0.59454095	-0.97898585	0.16138676	-0.4125437	-0.36272937	0.22407088	-0.39589885	0.084165365	-0.33361682	0.42662734	0.004948803	0.92493343	0.19296877	0.39976537	0.6408818	0.02736476	0.6070807	-0.81615263	0.5133466	-0.08585227	0.30904838	-0.38633335	-0.19690461	-0.26649225	0.6705817	0.21400882	0.90833765	0.59455645	-0.013510465	0.5107947	0.8720959	-0.13423991	-0.83762723	0.39648113	-0.6827451	0.062018123	0.4889794	0.2608466	0.38949192	0.66252255	-0.44752946	-0.6390931	0.97935224	0.5029056	-0.97978216	0.33363456	0.9998147	-0.09981499	0.45034617	-0.9755604	0.15258558	0.09632765	0.68447816	-0.000228778	0.50969684	-0.3904862	0.5995162	0.018782005	-0.77162683	-0.0883086	-0.2580337	-0.21623942	0.15449522	-0.1571018	-0.9999645	0.9999997	-0.57735515	0.17674978	-0.4201628	-0.25992522	0.23816979	-0.4872442	-0.75792986	-0.6301487	-0.42873666	-0.419768	-0.38790917	-0.17178747	-0.259422	-0.2876018	0.11904676	-0.095915064	0.26457638	0.61278075	-0.9998235	-0.13385189	0.24930806	-0.2631926	0.03383263	-0.47814524	0.037007846	0.17020023	-0.23765029	0.082693815	0.7803597	0.8299406	0.7659201	0.97623885	0.64596623	0.52295244	-0.03568802	-0.5719643	-0.5059859	0.2702941	0.29840264	-0.441508	0.1628399	0.5423847	-0.9494927	-0.3682925	-0.10739159	0.41800186	0.045383595	-0.13242821	-0.2165758	0.29455125	0.52334046	-0.63854283	-0.06103899	0.9943982	0.39434043	0.7029406	0.004932784	0.16197625	-0.76345074	0.99996054	0.29581726	-0.635755	0.58711123	-0.071731314	0.44929412	-0.061779056	-0.99572617	-0.31798044	-0.19442035	-0.32375118	0.3040697	-0.61193246
395	0	CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1	-0.30252513	-0.2693472	-0.47782284	-0.64338535	0.28801724	-0.25517443	0.5379935	-0.25758672	0.6569057	0.22748515	0.21144475	-0.19100282	0.001815078	0.7300679	-0.043367665	-0.7431311	-0.3484764	-0.4010109	-0.24799243	-0.6280509	0.50507003	0.5450777	0.6692971	-0.20794822	0.108154885	-0.50966424	0.6076403	0.09244904	0.30232581	-0.26198688	-0.20184942	0.12218236	0.2922022	-0.23207372	0.6820401	0.28043622	-0.47597754	-0.6225859	0.99694127	0.17562279	-0.6446701	-0.29856113	-0.66387975	0.35703036	-0.16090389	-0.70349663	-0.61432403	0.07437155	0.22287098	0.067802586	-0.3228428	0.84345275	0.506975	0.5605496	-0.45177898	0.004702092	-0.5961522	-0.56205446	-0.091569886	-0.2561462	0.5953478	-0.030883584	0.32438433	-0.41001323	-0.5164298	0.46818572	0.19708651	-0.3450519	0.4269703	-0.4385835	-0.80974007	-0.99205923	0.20150357	0.27036825	-0.12652309	-0.117621735	0.49384534	-0.20306744	0.666739	-0.99972373	-0.86291105	0.5406559	-0.93101066	0.53763336	0.008544916	-0.08157026	0.20832403	-0.014886525	-0.066472515	0.21482643	-0.29288223	-0.5807008	-0.55991644	-0.48197725	0.99903065	-0.41834962	-0.34071657	-0.56655324	-0.16340579	-0.23952784	-0.2911825	0.61436766	0.02603484	0.3871494	-0.975332	-0.64715654	0.003837384	-0.49934506	-0.99936676	-0.56137687	0.05064632	0.31897232	-0.37146953	-0.6477959	0.5460629	0.22144066	-0.13321555	0.09605859	0.9967937	-0.59433204	0.50147927	-0.4830172	-0.30185488	0.6157827	0.310947	0.14482668	-0.063234866	0.2261413	0.059713174	0.99609333	-0.4337395	-0.62841934	0.2437285	-0.09933199	0.09929691	-0.91934115	-0.13307361	0.29946488	-0.35762665	0.02089354	-0.9999678	0.4537923	0.33572328	0.22022434	-0.10190823	0.14216144	0.26681453	-0.5015313	-0.44131103	-0.34575525	0.045927532	-0.6618108	-0.5160592	-0.2872396	-0.18406267	0.7742413	-0.3312857	0.53310215	-0.33965716	-0.02383578	-0.89794904	0.6947604	-0.09782123	-0.6129564	0.6712946	-0.11281217	0.3942815	-0.41109177	-0.5083384	-0.48750558	-0.7941376	-0.85155964	-0.4953454	0.35907197	0.43254337	-0.8038633	-0.29623878	-0.2968839	-0.5254374	-0.074194975	-0.19293466	-0.99316543	-0.6374781	-0.3214267	0.7026137	-0.5716143	0.12277825	-0.27481127	0.5186224	-0.5362094	0.62885815	-0.21263514	0.38987783	-0.4808036	0.17774892	0.38237154	-0.12997498	-0.003627403	-0.5826475	-0.30107203	-0.3739528	-0.621982	0.37860584	0.098909274	-0.543981	-0.33128414	0.21974516	0.16788532	-0.65018857	-0.9996188	0.06416057	-0.34720033	0.3935969	-0.23237741	0.46776336	0.33086193	-0.21642701	0.07158665	0.058554728	-0.2149536	0.639929	0.69237983	0.2397474	-0.519637	0.9936987	-0.05772887	0.10682971	-0.4589217	0.3688354	-0.37767133	-0.7245188	0.20652136	0.658397	0.03558726	-0.7153328	-0.6516247	0.30258492	-0.5123764	-0.6482007	0.2295417	0.31581265	0.119947344	0.17116956	-0.5378855	-0.71871156	0.06963312	-0.4604533	0.25645605	-0.32387757	0.26729113	0.30147582	-0.9746446	-0.3734241	-0.6840925	-0.24690656	-0.33693337	0.5216336	0.48239848	-0.060560834	0.48558602	0.13173723	0.38327688	-0.21842907	-0.28025162	0.30516598	0.45139506	0.2292308	0.48889616	0.39364934	0.3031786	-0.83209807	0.997129	-0.65050894	-0.44468305	-0.08795024	-0.6553985	-0.08183685	-0.10120884	0.054881766	-0.52378786	0.33678877	0.99856675	-0.48901248	-0.54046637	0.71499753	-0.21050325	0.19196984	-0.711734	-0.93048936	-0.16609587	0.063888825	0.9691171	-0.75604	0.84359944	0.1573509	-0.24043766	0.9999817	-0.81777817	0.044904098	0.67361385	-0.43745232	-0.5085992	0.31403586	-0.16824415	0.8977877	0.6268286	-0.84563315	-0.42440754	-0.23393483	-0.041942023	-0.7926407	0.36480218	0.35705566	0.41267884	-0.65132666	-0.40588704	-0.60465735	0.41637275	0.93351674	-0.1914152	0.17773896	-0.31002596	0.50859416	-0.19793557	-0.46267444	-0.7206403	-0.061797637	-0.6503486	-0.3252872	0.06729316	0.799512	-0.2561457	0.51584005	-0.4004741	-0.060732156	-0.72431386	-0.35336092	0.38036054	-0.17067769	-0.24361823	0.06841199	0.20903395	0.32205057	-0.5045865	-0.53288794	0.7066335	0.4762596	0.7671327	-0.64313066	-0.65765	-0.93694127	-0.06039591	-0.47743118	-0.14055212	-0.03346049	-0.61504483	0.13205643	0.9996393	-0.050378364	0.06717105	-0.4231079	0.7960292	0.21978363	-0.25113395	-0.22930309	0.15944137	0.6554632	0.77982724	-0.19623615	-0.06266488	-0.23771012	0.3036869	0.42738202	-0.6227134	-0.059540167	0.9962194	0.2987831	0.21980111	-0.10809035	-0.11577083	-0.32319093	0.5781809	-0.54828453	0.06963014	-0.8372719	0.7002123	0.16825707	0.5538855	0.53256834	-0.018325657	-0.16723913	-0.724998	-0.21304476	0.5106655	-0.17446885	-0.6561124	-0.44831115	-0.5381813	0.6672823	0.31034923	0.8841943	-0.24394442	0.10012315	-0.26665983	0.16281953	-0.5905463	-0.065722436	-0.11441423	-0.16509047	0.22252429	0.49020323	0.3816669	-0.04092312	0.4351056	-0.5213839	-0.20445293	0.90949595	0.11648487	-0.9739354	0.11905703	0.99950606	0.47257388	0.033703793	-0.96856886	-0.3304924	0.29909497	0.6961718	0.117573544	0.4178447	0.4432734	0.20503339	0.060265888	-0.5192237	-0.25599214	0.24908665	0.5377381	-0.21915422	0.16014373	-0.99999136	0.99544835	-0.7503498	-0.35868633	0.08171962	-0.048778486	0.03102681	0.13649271	-0.6487197	0.060663123	-0.23918733	-0.4942596	0.19646056	0.06680084	-0.00090122	-0.38938612	0.4548849	-0.38513574	0.58751565	0.026019081	-0.99995506	-0.083898395	-0.4623922	-0.048088584	0.14624588	0.225005	0.29313284	0.27585208	0.22624715	-0.012496624	0.40803957	0.27819833	-0.36905625	0.7754313	0.2116632	0.20913503	-0.78071886	-0.49683058	-0.8063149	0.21742691	0.18720438	0.10965899	0.50005543	0.8185315	-0.89744514	-0.63655525	0.022770667	-0.22567715	0.34249344	-0.18793693	-0.040703945	0.17218326	0.58036596	-0.33022413	0.30702808	0.9776462	0.60985976	0.44150582	0.69634473	0.350945	-0.5057218	0.9999562	0.38625234	0.22464164	0.2243824	-0.18355662	0.12215136	-0.43922484	-0.99629223	-0.6303932	-0.6241119	0.101187654	0.2618002	-0.77920765
396	0	COC(=O)N(C(=O)N1COC2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1	0.8938834	0.8467179	-0.394936	0.193208	0.048274867	-0.7261605	0.29724565	0.26409033	-0.35669324	-0.74738497	0.7510469	0.20967326	0.17719834	-0.15219912	0.45353302	-0.23950489	-0.14889212	0.00822963	-0.27526832	0.39839116	0.46078175	0.77799803	-0.1906885	0.44003308	-0.71875805	-0.0997674	0.11988115	0.13517383	-0.15935726	0.59018964	-0.1999751	-0.77865577	0.6878654	0.30955702	0.038246717	-0.43502697	0.48535183	-0.07228215	0.99985737	0.25736	0.7800612	0.23704128	-0.43109557	0.61923134	-0.45150667	0.99480057	0.42734775	-0.5625317	0.9076314	0.4149831	0.3380755	0.39685178	-0.1740662	0.27213648	0.5153888	0.26654088	-0.4082345	-0.99215883	-0.5430929	0.31360573	-0.044155147	0.5875868	0.5579149	0.61696935	0.090392284	0.57971954	0.114455946	-0.23285845	0.46059752	-0.6308754	-0.89240485	-0.8263544	0.1868535	0.41725045	-0.44340622	0.45577806	-0.295413	-0.758877	0.064048864	-0.99931425	0.75397027	-0.115858935	-0.94002926	0.60413814	0.21744901	-0.7695162	0.47518846	0.058370937	-0.53232604	-0.4414348	0.34731632	0.30287984	-0.51848227	-0.11584288	0.9999817	-0.22782804	-0.7470415	-0.6661272	-0.51428276	-0.39020997	-0.24605443	-0.73496175	-0.046362832	0.8625125	-0.99995375	-0.9476821	0.7561325	-0.8964668	0.9476649	0.06653531	-0.26294512	-0.29352143	-0.49216762	-0.11923374	-0.07222736	-0.3072059	0.026215808	0.7747899	-0.47376135	-0.2180802	0.19240595	0.30123037	-0.800272	0.32143283	-0.41124308	-0.20352416	-0.09486394	0.10514306	0.53491235	0.997222	0.38420963	0.09050931	-0.3824928	0.18281046	-0.19595607	-0.96084136	0.6957903	-0.4934179	0.26693642	-0.60768765	-0.9999986	-0.6801101	-0.90923816	-0.1391244	0.40784788	-0.7630901	0.046648044	-0.62293607	-0.99996877	-0.59362215	0.15081386	-0.31562084	0.30948004	-0.48140717	-0.8680397	0.55068207	0.10328084	-0.9988671	-0.61335665	-0.9492204	0.9195723	0.41210508	-0.09439168	0.016588824	-0.33075485	-0.044595096	-0.78305745	0.05515296	-0.23716511	-0.03508996	0.06196441	0.30206203	-0.053850137	0.78064054	0.7454088	-0.6698312	-0.3104914	-0.18125802	0.006384992	-0.3525867	0.22568601	-0.9972996	0.37073502	-0.41926625	0.9868893	0.25889766	0.58951443	0.18596889	0.13892189	-0.57446223	0.29912165	0.29666364	0.28276092	-0.6444537	-0.48899782	-0.3595938	-0.010992692	-0.8157492	-0.39806563	0.18958873	0.069244385	-0.27671963	-0.6758721	-0.3734402	-0.21802258	0.17854813	0.5917642	-0.38542348	0.49920815	-0.9999444	-0.44210565	-0.15469055	-0.7312618	0.25961247	-0.4309404	0.6659402	-0.13261221	-0.010052468	-0.2827262	-0.3704413	0.5737901	-0.10973486	-0.10323777	0.3534146	-0.85224116	-0.6187813	0.3565358	0.36962226	-0.39163777	0.27909946	-0.5982417	-0.46320194	0.7244523	-0.10935395	0.1333921	-0.124454655	0.056514315	-0.2251625	0.44299984	-0.5276731	0.8753457	-0.047448047	0.72313255	-0.28513366	-0.36852613	-0.07491847	0.07973859	-0.21477567	-0.73222506	-0.29231334	0.676217	-0.13217884	0.34927323	0.031006897	0.6137767	-0.64577335	-0.5598365	-0.284914	-0.36481205	-0.055643186	0.038622443	-0.21364965	0.49702	0.3232124	-0.3252396	0.52735376	-0.07627023	0.85160315	0.810345	-0.29008856	-0.07138795	0.9999765	0.29512173	-0.109156035	-0.26869547	-0.6135979	0.7218121	-0.6043188	-0.40655485	-0.11046434	-0.5881586	-0.21093094	-0.82748306	-0.6952684	0.50431925	-0.3905265	0.0921064	0.88580894	0.40935677	-0.68757004	0.18421854	-0.979962	0.19153485	0.27431098	-0.34056094	-0.27708256	0.9999993	-0.7330077	-0.15723222	-0.10844917	0.6497051	0.5632962	-0.3543638	0.10481998	0.32864758	0.30607396	-0.9998667	-0.042173997	0.7448158	-0.09835726	-0.10966857	-0.02568047	-0.24920276	0.16754828	-0.8143047	-0.022937834	-0.6896161	-0.6364478	-0.99908614	-0.86740893	-0.3527467	-0.12723757	0.32874188	-0.6005331	0.76360136	0.5095774	-0.56997365	-0.18370037	0.2612654	-0.05895725	-0.27194092	0.14882535	-0.15023987	0.5940817	0.16370289	-0.032062475	-0.24235426	0.35778758	-0.703728	-0.13835153	0.4027715	0.7061086	-0.18384227	-0.22524308	-0.5383829	0.6727421	0.08868338	0.12082274	0.6478481	-0.99717975	0.9367793	0.003530219	0.25639668	-0.16906373	-0.25942212	-0.29845423	-0.8189867	0.9998158	-0.08661049	0.54148245	0.24536642	-0.15102142	-0.2630901	-0.15715143	-0.85030335	0.20249905	0.547448	0.3695949	0.27149123	0.34655595	0.6319224	-0.07585548	0.07147256	-0.92001045	0.06475082	-0.99999714	0.1541415	0.24014719	-0.10772192	0.09702224	0.39634532	0.6977618	-0.001050841	0.6691353	0.04360225	0.39697796	0.065773964	-0.11372802	-0.47607473	-0.70773304	0.046467077	-0.32665956	0.30804002	-0.07453827	-0.28579873	-0.24368359	-0.23133929	-0.18812707	0.1641402	-0.2980652	0.9984179	-0.09388366	-0.017348405	-0.5831767	0.4581803	-0.47025964	-0.6507728	0.652147	-0.20985565	-0.4917705	-0.615614	-0.4431434	0.18483327	-0.2744811	-0.11794	-0.47135895	0.9999941	-0.6094219	-0.9833245	-0.3063621	0.9988262	-0.114484616	0.1917299	-0.9997906	0.57286775	-0.9411563	-0.04372416	-0.3422894	0.068598054	-0.28574964	0.1458502	0.009949056	-0.022592748	0.12309108	-0.4711639	0.715659	-0.35608733	0.4937548	-0.9975876	1	0.9667674	-0.54611313	-0.016973754	-0.39451817	-0.346857	0.28926948	-0.3514877	-0.3632486	-0.6475333	0.1800906	-0.29610986	0.75432414	0.11557625	0.33953437	0.7518319	-0.25451308	-0.34224546	0.99754375	-0.9026284	0.5193748	0.44687572	0.034015838	-0.43806124	0.16255529	0.8806508	0.035865553	0.5297526	0.45577836	0.4036693	0.032106273	0.5390669	0.9309564	-0.18619601	0.24760784	0.016219925	-0.44357127	-0.50940573	0.5877613	-0.71793056	-0.75075585	-0.80568874	0.38141593	-0.9992472	-0.55066764	0.13234685	0.1868373	0.058389917	-0.5524853	0.37552178	0.30132478	-0.6183954	0.21330151	0.5203215	0.99976176	-0.087224215	-0.26180655	0.25801113	-0.7056234	0.53709996	0.9995225	0.04498405	0.47513673	0.49049005	0.1150116	0.017530713	0.13974608	-0.9993885	0.032191634	-0.46678585	0.8138566	0.3260341	-0.18447246
397	1	O=C(NC(Cc1ccccc1)C(O)C(=O)N1CC(O)C(O)C1)c1cc2cc(Cl)ccc2[nH]1	-0.91267663	-0.4283866	0.28306627	0.4672917	0.40418178	-0.7135664	0.38684756	-0.7438862	-0.052908577	-0.6675987	-0.2383396	0.027496228	-0.783107	-0.6287119	0.8021143	0.44608518	-0.6763821	-0.48311207	0.09607019	-0.08622057	-0.16098422	-0.6419485	0.67439413	-0.42495283	-0.32384938	0.55255824	-0.15406105	-0.23513356	0.60212785	0.6989456	-0.434406	-0.6830161	0.7907058	-0.43824324	0.5691977	-0.14195289	0.4637413	0.6229363	0.9995161	0.47339427	0.9650621	-0.4118108	0.24054068	-0.38308766	-0.12672654	0.89307064	0.55892533	-0.056173384	-0.82261455	0.48793307	-0.034968436	0.39225805	0.12034683	-0.3573166	0.73357755	0.40595454	-0.18467763	-0.9728238	-0.10378235	0.5279487	0.80915284	-0.41348	0.12589368	-0.4750143	-0.36491778	0.07717139	0.1333373	0.049089476	-0.28835315	-0.28759697	-0.9952525	-0.9970622	0.67597884	0.43811676	0.19321463	-0.4657392	-0.11150458	-0.15844385	0.18017441	-0.9966749	-0.965562	0.6283912	-0.9525752	-0.5760454	-0.30590233	-0.46693137	-0.25117734	0.5215289	-0.18271083	-0.06686813	-0.08418688	0.40243584	0.36031955	-0.4084406	0.9995631	0.5265803	-0.85423183	0.5697007	-0.21089561	-0.20336832	-0.575739	0.65726364	-0.36953682	0.993048	-0.9997756	0.3719408	0.73652375	0.46515545	-1	-0.77885085	-0.22826576	0.2650056	-0.69101554	-0.5017809	0.04984784	0.8283841	0.14420182	0.5683251	0.35211185	0.6502798	-0.8103506	-0.14758095	0.031379092	-0.5317891	-0.19338457	0.42756042	-0.4784	0.35240823	0.5216826	0.9954144	0.68121344	-0.23323858	-0.59093326	0.04066589	-0.45469084	-0.45819363	-0.11629689	0.54029787	-0.59798163	0.15529177	-1	0.089202665	-0.63578874	0.017768206	0.6431273	-0.53285974	0.51242334	0.17474368	-0.99951345	-0.46392584	-0.58849806	0.93167156	0.39143628	-0.38218	-0.2679605	-0.33794162	0.086580284	-0.99255365	-0.51293117	0.90605426	0.44719192	0.29001784	0.1305966	-0.47951597	0.5002591	0.16431485	-0.5330547	0.26896447	-0.09991668	-0.43378058	0.43198287	0.57029116	0.32141763	0.63613015	-0.34472632	-0.76845473	0.21059464	0.32450482	0.21374485	-0.28055468	0.71312004	-0.9694154	0.118088424	0.8136064	0.9650778	0.06699441	-0.22837457	-0.85066	0.21209951	0.46630847	-0.16035508	-0.2982804	0.1410631	0.24627613	0.20893045	-0.9148612	0.43316403	0.70417196	0.06421004	-0.055508215	-0.4355915	0.6366833	-0.41601953	-0.002554221	0.4517633	-0.8268789	-0.06272416	0.7854918	-0.20219678	-0.99979633	0.036010385	-0.06210923	0.6013068	-0.51235884	0.43486056	-0.60168755	0.64261466	0.20509404	0.16479649	-0.6325448	0.5343285	-0.17251825	-0.37765208	-0.020634629	0.99998367	-0.8535098	0.5438977	-0.27541092	-0.3591817	-0.1648155	0.20767777	0.33735767	0.028048372	-0.26901823	-0.2938345	-0.020211257	-0.660189	0.10253349	-0.779113	-0.46078667	-0.96220493	-0.39468032	-0.34865004	-0.25118655	0.07239863	0.29342747	-0.44915754	0.061873436	0.9137163	-0.3080114	0.3878711	0.05643847	-0.5986886	0.35462952	0.09527845	0.5569153	0.15533356	0.044794664	0.31255883	0.73268217	-0.45529783	0.32726562	-0.45495048	-0.001284897	0.068927035	-0.1106443	0.32541722	0.46193844	-0.8219497	0.81745034	-0.90374374	0.99693936	0.08760221	-0.30769494	0.20833135	0.6660111	0.55557936	0.5871517	0.34124148	0.057894137	0.196295	0.8320371	-0.24656916	-0.23615545	-0.5611905	-0.15327533	-0.48799148	-0.95907366	-0.9999172	0.18711771	0.6367594	-0.8461634	-0.006266329	-0.5399078	-0.6590826	-0.7007399	1	-0.55308217	-0.37191382	-0.39002225	-0.21712776	-0.36055073	-0.12363734	-0.2717126	-0.10505923	-0.5980534	-0.99958426	0.012413664	0.9498786	-0.19558728	-0.26359448	0.46304128	0.81065613	0.02985206	-0.2749369	-0.6671111	-0.37854758	-0.46183667	1	0.42224702	0.04699863	0.61906636	0.68542403	0.132261	-0.8147203	-0.25038368	-0.34638724	0.41936234	0.017900668	0.24734654	-0.60661834	0.68494666	-0.67938864	-0.29091942	0.16573875	-0.83201844	-0.6521806	0.41124004	-0.1736426	-0.25523812	-0.09649251	-0.5282886	0.09214976	0.17841035	0.48104623	0.11179198	-0.23959576	0.2114281	-0.67999613	-0.98792017	0.5474471	-0.53294325	0.4098305	0.055109557	0.04911609	-0.4353493	-0.28325483	0.998665	-0.38787073	0.82481927	-0.33000085	0.37337926	-0.23381928	-0.1027775	-0.5914273	-0.10510953	0.09597659	0.4150981	0.14566115	-0.08463462	0.41681993	-0.0879647	-0.56694937	-0.71488535	-0.29233405	-0.9999996	0.70844525	0.09551466	-0.41215077	-0.41138265	0.6545863	-0.5738067	-0.7532913	0.24700509	0.6244626	0.6802222	0.14103058	-0.32526693	0.10819002	-0.74391335	0.5272394	0.86035734	-0.52457535	0.48614573	-0.6511778	-0.335523	0.2545626	0.33460954	-0.533312	0.2554025	0.9896365	0.47770262	-0.23386979	0.21642607	-0.43573797	-0.36178923	-0.41321692	-0.89237505	-0.51093787	-0.3646934	-0.045715097	-0.114130504	0.63149935	-0.6048825	-0.17845595	-0.13415836	-0.9999998	-0.16557485	-0.9815961	0.8346434	0.99904406	-0.5817071	-0.4827751	0.75526565	-0.66239536	-0.26215318	-0.46992552	0.35224685	-0.31520957	0.4866642	0.5154716	0.08212443	0.48892823	0.40998796	-0.5400502	0.020681238	0.41243464	0.1488706	-0.9997187	1	0.9636621	-0.36894953	-0.077778876	0.3223295	0.19926098	-0.8190587	-0.7016682	0.47064865	-0.41174853	0.198159	-0.3515081	-0.004888112	-0.19496933	0.77222604	-0.43733883	0.14153175	-0.11702553	0.991863	-0.9934974	-0.096567854	-0.31096217	-0.47030905	-0.15734206	-0.5485223	0.66927665	-0.17343602	0.23548557	-0.61398	0.6673562	0.11819885	0.07863089	0.9803415	-0.5058692	0.44864568	-0.1652141	0.6718563	-0.37093416	-0.9343097	-0.5318908	-0.072944164	0.5275972	0.33438772	-0.9532214	-0.22610633	-0.011424926	-0.037242558	0.61271197	-0.2678811	0.59924835	0.5429176	-0.5923893	-0.08139763	-0.11602476	0.99968994	-0.4388222	-0.13842161	0.001247122	-0.6033618	0.20488025	0.9999903	-0.28363195	-0.07395974	0.6400673	-0.27433327	0.23929663	-0.15976304	-0.9985198	-0.11346188	0.6914456	-0.28572065	0.31807786	-0.20153876
398	0	COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1	0.9469535	0.16717303	-0.29042503	0.38795123	-0.38829964	-0.5274016	-0.48205417	0.50492704	0.677009	-0.03777737	0.6736547	-0.7077689	-0.07368408	0.6468699	0.15698929	-0.6984279	0.14784156	0.77017343	-0.30467305	-0.10428119	0.82405525	0.59406936	0.36104813	0.360517	-0.4256787	-0.08116114	0.5151102	-0.04267034	-0.54885256	-0.14888188	-0.42969215	-0.47871804	-0.28780532	0.29923353	0.7714614	0.1824594	0.8406363	-0.40105334	0.99967074	0.45129177	-0.46256334	-0.18754078	-0.22575925	0.68422127	-0.08029888	0.6481601	0.85318357	0.63722783	0.7056467	0.7713526	-0.29468933	0.20152399	-0.83176494	-0.39639443	0.48035514	0.48790175	-0.7214851	-0.95936733	-0.03826367	0.4909696	-0.5595912	0.4887121	-0.26120317	-0.39265645	-0.7127206	0.93483365	-0.08132936	-0.6596308	0.33448046	0.49259132	-0.9806953	-0.9974686	-0.05049458	-0.39904106	-0.84839374	0.22952099	-0.4050468	-0.7818615	0.52178335	-0.9999638	0.5370263	-0.50756055	-0.82959914	0.41686484	-0.5880279	0.014075735	0.53907555	0.1030319	-0.26308128	-0.3429583	0.17749459	-0.026617112	0.6289765	-0.54344225	0.9999947	0.42700568	-0.9103616	-0.29698184	-0.4898731	0.03529822	0.45528066	-0.7027997	0.24494599	0.8221197	-0.9988833	-0.99382174	0.30107394	-0.7248709	-0.95178974	0.5110444	-0.47783005	-0.30679068	-0.7213049	-0.17561129	0.734926	-0.5300224	0.63757545	-0.13174489	0.93767965	-0.15314527	-0.5547328	-0.12489659	0.05088596	0.5307156	-0.6907301	-0.9166558	-0.32609275	-0.07984889	0.15493332	0.93219566	0.17658566	-0.12832585	-0.25946984	0.16508617	-0.52285	-0.9547894	-0.54508257	-0.4942985	-0.55411863	-0.13711317	-0.99991375	-0.47638527	-0.94369626	-0.5410837	-0.66725516	0.15486184	-0.25973198	-0.18840952	-0.9911342	0.121230006	0.27373162	0.64327914	-0.46543142	0.25375837	-0.75062567	0.78098047	-0.1478037	-0.901457	-0.7326974	-0.038452633	-0.039845224	-0.15169305	0.09179282	0.73553735	0.26072708	-0.017532393	-0.77953905	-0.33938166	-0.69679666	-0.3315229	0.7428548	0.33942437	0.06860616	-0.75036216	0.6316215	0.17947388	-0.6828719	-0.25497675	-0.116939954	0.809495	0.6915939	-0.9999614	-0.42805797	-0.15080386	0.85164165	0.058496058	0.13699473	-0.27534553	0.83566403	-0.43926582	0.6690389	-0.2415962	0.7490818	0.14582509	-0.2743646	0.064066865	-0.38403043	-0.6472809	-0.56332755	0.349193	0.25299934	-0.28953373	0.73352975	-0.015873635	-0.752903	0.24997403	0.15326898	0.07483267	0.3910378	-0.9998748	0.17692338	0.30658543	-0.7055826	0.001581332	0.61443204	-0.54562145	-0.117272064	-0.23428473	0.16507325	0.43619365	0.80493826	-0.32934746	0.5297414	-0.24871138	-0.9879363	-0.5949009	-0.5496272	0.5864235	-0.26645827	-0.449848	-0.4330949	-0.051764835	-0.5795433	-0.79435015	-0.44442624	-0.045985524	0.02796267	-0.5988986	-0.014071273	0.35533774	-0.565903	0.5595163	0.23379555	-0.062064625	-0.11896677	0.77076155	0.42664024	0.54310596	-0.40308028	0.06813513	0.7945426	-0.9767502	-0.16804688	0.86669666	-0.15637109	-0.7929236	-0.6588926	-0.49507287	0.14205593	0.06195041	-0.61533105	0.2733146	0.45856854	0.18829815	0.48855194	0.64526457	-0.52691656	0.76007557	0.91690236	-0.2115706	0.63951015	0.998494	-0.64487237	0.33143607	0.52939415	-0.81690794	0.82576174	0.6601866	0.33519253	0.50568277	0.6808546	0.95924807	-0.9532923	-0.53769934	0.2550882	-0.22824825	-0.448408	-0.06818908	-0.96355194	-0.5120829	0.43379968	0.22245806	-0.09565342	0.5097624	0.8149304	0.11764799	0.9999597	0.112553924	0.41740468	-0.2656841	0.31183288	0.8729542	-0.8019676	0.19740032	0.47862452	0.87807363	-0.9969154	0.017520819	0.52233243	-0.20627174	0.50112414	-0.15312712	0.26956293	0.33231738	-0.99130785	0.07561698	0.23402525	0.35339022	-0.939061	0.6735284	-0.10873043	0.79937786	-0.6532162	-0.89226043	0.6820313	0.49359927	-0.045921247	-0.12983191	-0.02913689	0.6903687	0.45110506	0.40204826	-0.5592787	-0.16446285	-0.31858268	-0.8819976	-0.31829244	-0.79775316	-0.5235385	0.16054656	0.522729	0.099582925	-0.4504568	0.3048956	0.19627918	-0.81063586	-0.07454178	-0.06179839	0.13202386	-0.9743003	-0.10745409	0.3938892	-0.24731302	-0.888621	-0.49237242	-0.54745436	0.107683055	0.9992083	0.14884804	0.37424663	0.10398895	0.4238849	-0.22654504	-0.78307587	0.4979308	-0.054470353	-0.30159727	0.40509778	0.7840482	-0.10722685	-0.13004053	0.21516962	0.5946228	-0.8627229	-0.69374037	0.9934985	-0.1758206	-0.25138706	0.67919964	-0.5479489	0.2840898	-0.5513454	-0.3814589	-0.8584022	0.61847556	0.22969425	-0.22396526	-0.1382336	0.3827489	0.5683368	0.7023096	0.23112205	0.30969062	0.665477	0.42766622	-0.9097538	0.599482	0.65549004	-0.6337408	0.7902758	0.9994947	-0.56337005	-0.3160011	-0.17765729	0.85608023	0.19430164	0.8417925	0.9874437	0.078200944	-0.8134103	0.08790222	-0.6764904	-0.504047	-0.07297027	-0.61692625	-0.10566919	0.99985856	-0.057035204	-0.9494229	-0.8627958	0.99337894	-0.28123564	0.23717305	-0.9990726	-0.3802591	-0.85268295	0.20727898	0.24320701	-0.048368543	-0.47567913	0.7110501	0.7882344	0.38564026	0.7900397	-0.46296036	-0.014447181	-0.5727574	-0.08082025	-0.9998764	0.9928485	0.36537108	0.16929607	-0.26427552	-0.24699889	0.10182788	0.7940412	-0.71586156	-0.6441458	0.03615208	0.19392803	-0.09410918	0.35690427	-0.20627117	0.26427874	-0.2203259	-0.030743433	-0.72966933	0.9082941	-0.9988866	0.06461367	0.5933466	-0.24896985	-0.59812737	-0.37504032	0.9874987	0.9113862	0.8620976	0.6002207	0.12291021	-0.27597985	-0.3744354	0.9565375	-0.65451497	0.18398358	-0.20125069	-0.5719922	-0.094609946	0.81018037	-0.14861828	-0.47616658	-0.14082877	0.95712596	-0.7047322	-0.5402947	-0.43381476	0.41817304	-0.41921154	-0.34028357	-0.765561	0.8112507	0.04129009	-0.33800614	0.7119197	0.9990734	-0.20182055	-0.7605776	-0.054079972	-0.049908902	-0.5865441	0.99994075	0.2553709	0.47909674	0.4631038	0.64576554	-0.022114972	0.2328298	-0.99806535	-0.4275657	-0.8127396	-0.6730632	-0.3539525	-0.2057559
399	0	CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1	0.9734473	0.30122527	-0.663148	0.05156813	0.3117311	0.48942468	-0.9230498	0.15701383	-0.67660284	-0.08816754	0.16923171	0.084746234	-0.7183205	-0.041303195	0.51585054	-0.77659446	-0.62300116	0.41843173	-0.23665397	-0.17459811	0.32259598	0.5449447	-0.054396223	-0.11869627	-0.69322824	-0.15222846	0.23770466	0.59007066	-0.6051148	-0.06372675	-0.24806142	-0.41195977	-0.56721294	-0.5732106	0.5609251	-0.3928973	0.094468385	-0.8233919	0.9897366	-0.7177483	-0.9759908	0.327536	-0.057914503	0.5407783	-0.5287755	-0.80932105	-0.58115065	-0.285355	0.9628505	0.04561674	0.62900156	0.056911997	0.103613645	0.15826765	-0.46543622	0.38403463	-0.5310901	0.14336734	-0.0025564	-0.2052089	0.56048584	0.56168985	-0.4619704	-0.65619266	-0.8608916	0.40485135	-0.04267162	-0.42656773	-0.2829813	-0.23148404	-0.9416255	-0.9515683	-0.10796779	-0.22074448	-0.45900095	-0.89208376	0.01916978	0.077445626	0.3661161	-0.99979603	0.65178066	-0.012036443	-0.9587448	-0.12872799	0.73833257	-0.55766004	0.17299338	0.62979704	0.03846183	-0.23519588	0.14454016	0.09648389	0.03967757	-0.20063864	0.9996453	0.30033383	0.19367239	-0.2734353	-0.21180171	-0.64164263	-0.087278694	-0.14106123	-0.48569402	0.28829193	-0.88656723	-0.9912481	-0.14386703	0.5137939	0.9696168	0.4063452	0.28691104	-0.73968565	-0.4120296	-0.51679224	0.7025367	0.013222619	-0.1798467	0.33381084	0.9983822	-0.17094427	-0.40445018	0.59229434	0.7568875	0.338988	-0.6516434	0.30427936	-0.13478203	-0.65989417	-0.2589582	0.995441	-0.7270654	-0.5738697	0.19950286	-0.5365319	0.44632664	-0.9849351	-0.63045686	-0.24977715	-0.08045272	-0.24250571	-0.9995983	-0.58961856	0.6323223	0.08688266	-0.55552983	-0.5479726	-0.61009514	-0.3716455	-0.026374804	-0.19822563	0.8123706	-0.8815915	-0.069594845	0.15951481	-0.50290805	0.030556481	0.65918875	0.9470318	-0.71572965	-0.9381198	-0.9199618	-0.6577828	-0.29348135	0.42859426	-0.57438034	-0.7645921	-0.17145568	-0.26810357	-0.1438436	0.043417595	0.61122584	0.264388	0.091984935	0.03768463	-0.32242042	0.19897737	-0.472642	0.60940295	-0.86494094	0.7768148	0.31216335	-0.97121763	-0.12703063	0.8384451	0.3610985	0.60544735	0.5003927	0.6941413	-0.42888275	-0.61499417	0.35880336	0.34554562	0.5152167	0.5380817	-0.15954082	0.49524173	-0.45447713	-0.851193	-0.24071312	0.5945393	-0.2223723	0.34276533	-0.6506179	-0.4507528	-0.64075005	-0.43413365	0.17669362	-0.73698574	0.4040365	-0.99921745	0.007776921	-0.013865013	-0.88830805	0.62281907	0.7292868	-0.10651623	-0.8606407	0.3812854	0.49453288	0.4072333	-0.062852114	-0.5259515	0.7827954	-0.10591469	-0.9810814	0.16910677	0.60694736	-0.5636941	0.056778498	0.7227102	-0.065080665	0.6422526	-0.5431914	-0.038564328	0.04657057	-0.029643845	0.23684971	0.39884153	0.53983235	-0.10453922	0.86219347	-0.10970525	-0.45549735	0.4299122	-0.37853697	-0.4271562	0.5368363	-0.48117924	-0.4408264	0.3096733	0.41886365	-0.99819916	0.1642651	0.75517714	-0.46246314	-0.58329284	-0.27401394	0.078856096	-0.6684104	-0.584009	0.36853042	-0.05605819	0.38846266	0.1906007	0.25720108	0.20569281	-0.64884144	0.68262106	0.71668094	-0.43634808	0.7935481	0.99852484	-0.38426587	0.82963306	0.87142164	-0.8913639	0.59691864	-0.07496529	0.16147731	0.10496046	0.24766447	0.99756473	-0.7885902	-0.04705028	-0.6809924	-0.28643072	0.61263704	0.7519907	0.9427748	-0.88303214	0.7090252	0.99463534	-0.5121742	0.85967594	0.37129983	-0.20760264	0.9992899	-0.88338107	0.13893494	0.65889555	-0.5250778	0.84236497	-0.34585056	-0.19846076	0.74033284	0.9222247	0.33854938	0.6922449	-0.16178158	0.48350218	0.51523936	0.41151735	-0.21808085	0.06883526	-0.14079536	0.361768	-0.09549926	0.2797179	-0.9999569	0.64453954	-0.41499227	-0.7040533	0.2649482	-0.9103561	0.8449299	-0.6037263	-0.08466362	-0.28748542	-0.15498678	0.6358672	0.21891479	-0.47411352	0.54277474	-0.016719198	-0.68256867	-0.27852288	0.11954096	-0.60143095	0.03031055	0.10212662	-0.25875634	-0.19504468	-0.14518514	0.16682869	0.087153144	-0.6221948	-0.18382102	0.7497931	0.28017712	-0.11082042	-0.94409263	-0.8372679	0.15015137	-0.43042392	-0.39449733	-0.19444706	0.37774262	0.9995341	0.078541495	0.4171463	0.4606442	0.42855796	0.5178097	-0.8208366	0.18873286	-0.29868156	0.2865675	0.56407344	0.5434521	0.0976144	0.16624844	0.4851374	0.39739743	-0.70046794	-0.35266456	1	0.35916424	0.16898258	0.006060801	0.053871866	0.08910196	-0.24676761	-0.21928366	0.6880397	-0.23457843	-0.20630136	0.48416814	-0.4750298	-0.82540286	0.69980717	-0.101514645	0.55524117	-0.6098202	0.46747336	-0.2437551	-0.8860506	0.57466084	-0.33653903	0.4195788	-0.25794554	0.84479827	0.39703515	0.001684413	0.3817899	0.307096	0.321554	-0.18517165	0.574681	-0.14998843	0.107908145	-0.6741414	0.33197862	0.35488567	0.26644632	0.26418176	0.53755945	0.9999999	-0.70660025	-0.94014764	-0.29273582	0.99774474	-0.18462676	-0.77408516	-0.9999324	-0.28426033	-0.76705766	0.002963318	-0.8190913	-0.29449818	0.49431255	-0.7116854	0.40346247	-0.48844165	0.7696335	-0.7416252	-0.6632271	0.009954064	0.11334785	-0.9999564	-0.9946026	-0.95520055	0.41016167	0.6007933	-0.60352546	0.20395339	0.3779049	-0.4701028	0.3747441	0.5813116	0.44627732	0.31889158	-0.11433701	-0.09393306	-0.00074468	0.85885096	-0.13969007	0.38728768	-0.5513588	-0.9997882	-0.2834702	0.21869181	0.5049964	0.598722	-0.31641892	-0.28972203	0.75148755	0.742848	0.23778334	0.123761624	-0.8829791	-0.054376848	0.89930534	-0.5173843	0.11167434	-0.37437534	-0.3579785	0.14765814	0.5987396	-0.5910856	-0.34718844	-0.71853304	0.76080424	-0.9304672	-0.52005196	-0.25514072	0.3128675	0.09604016	-0.23968054	-0.14986424	0.51262116	-0.48139668	0.2677341	0.190567	0.86865026	0.40595677	0.12858531	0.41139364	0.06171375	-0.34968662	0.9999744	0.81648934	0.4996406	-0.5271204	0.62855333	-0.44690406	-0.0947433	-0.98360735	0.14591996	-0.47873035	-0.06514517	-0.8042235	-0.27543834
400	0	NNC(=O)c1ccncc1	-0.81454474	0.3343559	0.298662	0.37058136	0.49088272	-0.23387395	-0.01813675	-0.24336214	0.00000141	-0.17913048	-0.19315992	-0.5046288	-0.3071909	-0.7682688	0.19986582	0.62372345	0.10714785	-0.13333724	-0.25016275	0.4546116	0.6791518	-0.902403	0.17634405	-0.14578833	0.10989579	0.41679695	0.49383888	0.1887255	-0.30957434	0.025097312	-0.07755278	0.03486757	0.004022225	-0.4764993	-0.17464903	-0.4740439	0.25156218	0.33332616	-0.5714357	-0.7172493	-0.9960858	-0.08992067	-0.17130016	-0.5302902	0.30973	-0.9980749	0.21665305	0.4907097	0.48766482	0.36974493	-0.16177666	-0.45474476	-0.4173132	-0.06415096	-0.84054583	-0.032402284	-0.43119067	0.97533387	-0.2485403	-0.33091906	0.08849373	-0.15467794	0.17783469	-0.34588423	0.7661568	-0.3836817	0.20662192	-0.05909086	0.30971938	0.1544903	-0.4941138	-0.99993914	0.37753624	0.50239056	-0.6040855	0.6226769	-0.55150497	-0.13027531	0.33503512	-0.9988347	-0.5375411	-0.66973305	-0.9022413	-0.7602037	-0.08149328	0.9507292	0.55268484	-0.27547854	-0.20924006	0.6763893	-0.29957324	-0.4275923	-0.36990526	-0.58829695	0.9818523	-0.3961429	-0.8451206	0.19339053	0.21585399	-0.24789163	-0.027207207	-0.45636043	0.071471535	-0.4027284	0.9842524	-0.5221654	0.14099976	0.3510714	-0.99944556	0.55072665	-0.1098547	-0.11950205	-0.5584343	-0.07440264	-0.24776988	-0.2616875	0.2733172	0.46386492	0.9995166	-0.103369	0.39635572	-0.012675279	-0.5802961	0.025625534	-0.013519571	-0.2714264	-0.670165	0.16117553	-0.09280999	0.861747	0.042619746	-0.08534153	-0.13861635	-0.015151966	-0.46689612	-0.26581892	0.4361611	0.14263037	-0.39909172	0.1766692	-0.9963329	-0.003576137	0.9316752	0.39618272	0.60936934	-0.4981126	0.49705547	-0.118345544	0.99845666	-0.2444465	0.07948384	0.41731477	-0.45784986	-0.53536266	-0.37771046	-0.25069252	0.16339488	0.9996181	0.726998	0.6474919	-0.99685025	0.30309102	-0.16973926	-0.1261183	0.3505881	0.20736353	-0.16392097	0.2605821	-0.22934137	-0.5695667	-0.57644516	0.6863436	0.057850447	-0.045107983	0.42794654	-0.8900147	-0.7132957	0.026962733	-0.15455575	-0.2423546	0.11570141	-0.9288074	0.32251847	0.025508273	-0.9024198	0.17914924	0.4184034	-0.36263582	0.1631094	-0.1362174	0.70352745	-0.17614277	0.31257445	-0.060797438	0.36172062	-0.25271684	-0.3290645	-0.28341815	0.26096433	-0.049799416	-0.08378783	-0.35833153	-0.7229275	-0.25916278	0.25712338	-0.08649778	0.26665497	0.5311571	0.14068697	-0.689278	0.2499603	-0.25736725	0.26778966	-0.35421997	0.10128664	0.1822131	0.03260033	-0.23469926	0.10616847	0.36216286	-0.048379492	-0.27413267	0.3609992	0.2599654	0.98843014	0.37162715	-0.053301048	-0.25753975	-0.1860393	0.07267825	-0.4454667	0.07224675	0.24931508	-0.1456388	-0.5598553	-0.5622916	-0.47257602	0.10082224	0.118182026	0.13818164	0.83985984	-0.19834422	-0.34341088	0.10686034	0.4789369	-0.12952559	-0.07039898	-0.40745205	0.05025601	-0.16892195	0.41332337	-0.99657845	-0.012378792	-0.30664337	0.19939488	0.3968313	0.083583936	0.27424634	0.15165193	0.09626335	-0.53057534	0.17664081	-0.7563371	-0.3258175	0.172352	0.09094755	0.25062272	-0.027525436	-0.9642859	-0.18778706	-0.26693287	-0.8900897	0.16059041	-0.19343153	0.18889032	0.8526756	0.38162866	0.58496577	0.22963057	0.7117431	0.24842326	0.9995324	-0.42240614	0.42288214	0.14299951	0.3458252	-0.6666538	-0.9868886	-0.93942297	-0.3461122	-0.041505918	0.9997638	0.29170287	0.5779742	0.11210716	0.03781701	0.9968714	0.42095116	0.5131292	0.050210517	-0.6405987	0.006520044	0.09149614	0.12773137	0.6185627	0.44687065	0.99912375	-0.4508576	-0.39514253	0.012915609	-0.33507085	-0.022573588	-0.12513207	-0.50308865	0.3065262	0.20027906	-0.34071246	-0.5902765	0.8775599	0.14876243	0.45162565	0.74952716	-0.010444093	-0.1899386	-0.36571825	-0.46540764	0.12809384	-0.74284875	-0.19670719	-0.20866793	-0.44133827	0.21902227	-0.37357035	0.40753868	0.5073645	-0.9703537	0.061852608	-0.13908994	-0.42103896	-0.08138837	0.78742105	-0.14378329	0.076950766	0.8383855	0.6113317	-0.059354454	0.13161707	0.31329313	-0.16019648	0.9497908	-0.9961323	-0.06650341	-0.3175862	0.001747874	-0.11200701	-0.07487279	-0.09411514	0.9859438	0.13797596	-0.16546349	0.11812771	0.5277874	0.63061297	0.36209455	0.47867283	0.5480433	0.3112655	-0.40103182	-0.020502657	0.35892347	0.56824493	-0.10109722	-0.27050757	0.9280997	0.23879044	1	-0.1525042	-0.12151582	0.035287447	-0.39696503	-0.89062923	-0.5769643	-0.31887928	-0.019062709	0.17630613	-0.3813292	0.13327824	-0.47566032	0.38656792	0.72113335	-0.4362137	-0.011571677	0.18531233	-0.0836416	-0.2586586	-0.26043722	-0.10841804	0.76987004	0.76337355	0.85902476	-0.30949843	0.24748708	0.25469777	0.25329384	0.15157737	0.045205757	-0.5527483	-0.22675595	0.006501942	-0.38414204	0.5890326	0.7596647	0.31200904	0.2064438	0.26000315	-0.17212646	0.98441356	-0.042059444	-0.98595655	0.20989762	0.9969085	-0.54747945	-0.005785708	-0.9785873	0.17920673	0.6484995	0.49686965	0.34523425	-0.84642446	-0.02594777	-0.11740863	0.9742212	0.21872965	-0.21938843	-0.5217792	-0.01129615	0.33590814	-0.4304287	-0.99996066	-0.9991496	-0.99683815	-0.20936726	-0.22740087	-0.28265718	0.16406202	0.3503171	-0.8117254	0.17811763	0.52474284	0.13365631	-0.289404	-0.3409296	0.22276631	-0.3590323	0.15474907	0.49262884	-0.4974146	-0.9971738	-0.9999136	-0.35828695	0.023223149	-0.07597014	-0.3106176	-0.22725597	-0.4626933	-0.38020483	0.058426358	0.0988465	-0.25692457	0.5846676	0.33541018	0.89041513	0.5324764	0.97876537	0.26612577	-0.15671666	-0.17519024	-0.4101828	-0.5775525	0.75601155	-0.33458808	0.87818867	0.3901619	0.029827436	0.29155484	-0.34827608	-0.80754757	0.27182114	-0.3302436	0.2756353	0.58505166	0.19400501	0.5811641	-0.9729183	0.23086962	-0.1997402	-0.38060448	-0.36387402	-0.003695636	0.99964494	-0.22977309	-0.04752371	0.24975245	-0.4078468	-0.34525663	0.28088185	0.8019842	-0.20192564	-0.6676152	-0.64049613	0.38059968	0.35424435
401	0	CC1=CC(=O)CC(C)(C)C1	0.12416712	0.01805082	-0.35491285	0.2143655	0.30267146	0.46459645	0.2573931	-0.2603123	0.2207616	-0.5685642	-0.459886	0.16563217	0.007419173	0.54822946	0.42564252	-0.5870895	-0.22953661	-0.32196543	-0.033789895	-0.06063155	0.56972206	-0.8114458	-0.002004986	-0.39090788	-0.069759585	0.30443117	0.24625748	0.6810897	0.095470674	-0.3825979	-0.49113253	0.42792544	0.5315122	-0.11502415	-0.104225405	0.49574202	0.047728363	0.2238238	-0.20128118	-0.7875546	-0.9970644	0.010281214	0.00588371	-0.32324263	0.1661785	-0.99715304	-0.05859992	0.22801359	0.9972237	-0.33006853	-0.042247895	-0.25802082	-0.097292155	-0.116035864	-0.9261794	-0.059431702	-0.3643157	0.9488015	0.25063512	0.16716649	-0.7278554	-0.61550105	0.35044596	-0.13248093	0.51350176	0.2617854	0.46734342	0.49533913	0.2034687	0.5632618	0.85689837	-0.9783034	0.14135309	0.67858183	0.4146461	0.65121406	0.30654022	0.49384016	0.08951883	-0.99990565	-0.2564538	-0.021746533	-0.13483505	-0.45143136	0.26381248	0.47982407	0.35880616	-0.40699136	0.42608356	-0.021324446	-0.23396394	0.4701703	0.43998426	-0.3674459	0.78503543	0.34684703	0.4301292	0.42249075	0.048728112	0.10798111	-0.064622775	0.2135511	0.16308355	-0.65083194	0.924764	0.13851197	-0.14957279	0.17588095	0.9817618	0.24519375	-0.3432555	0.17932425	-0.10434417	-0.5619306	0.3884147	-0.2579118	0.152404	0.0812979	0.99956936	-0.43804252	-0.018638581	-0.15412167	0.16372414	-0.40683052	0.44271398	-0.3232546	0.0851656	0.40842116	-0.054072954	0.99935764	0.16295284	-0.26222315	0.24831274	0.3786205	0.08407382	-0.8747757	0.32190803	0.29252467	-0.15507278	-0.12519014	-0.9973684	0.6808235	0.99136823	0.47439933	-0.54441607	-0.22271335	0.25567937	0.15687685	0.99153286	0.5167352	-0.18619956	-0.847237	0.31202736	0.68338776	0.20203656	0.35400617	-0.17847106	0.9992421	-0.5925903	-0.9644645	-0.99232334	-0.45421275	0.052691408	0.25467047	0.041391704	0.21470788	0.4894947	-0.36637294	-0.12188368	-0.20280398	-0.8458874	-0.1536267	0.6814974	-0.29394412	0.2832906	-0.9787005	0.171692	0.56236714	-0.10915102	-0.39729145	0.25397047	-0.3326865	-0.19448487	0.11752412	-0.88187295	-0.35739416	-0.12394	0.14939539	0.09794774	-0.39786628	-0.011780301	0.16009116	0.11948336	0.61064374	0.5315008	-0.3015873	-0.1761894	-0.7567576	-0.0999865	-0.6131895	-0.043317676	-0.28366396	-0.044794194	-0.3650894	0.12965588	-0.2553722	0.2303518	-0.17241189	0.13127801	-0.91856533	-0.28829885	-0.2842246	0.018652393	-0.18106703	0.28253564	0.11231114	-0.18171756	-0.34650862	-0.50077087	-0.1203188	-0.5298817	-0.46349195	-0.12702568	-0.40334016	-0.94433343	0.30848053	-0.23452863	-0.5593475	0.21924818	-0.4558769	-0.12010299	-0.31482545	0.20483568	-0.46964148	-0.36334297	-0.322825	-0.31145585	0.27534604	-0.06426974	-0.3229412	0.84461343	0.49987215	0.063698635	0.016680414	-0.678977	-0.042883843	-0.21678281	-0.274867	-0.25848398	-0.102093644	0.013943719	-0.99853677	0.32245767	0.45844507	0.5170244	-0.51665384	0.36218026	-0.050718706	0.32756883	0.2382227	-0.6901896	0.5837958	-0.026006937	0.25776365	0.27994505	0.38300538	0.33227396	-0.34282494	0.8410557	-0.06292932	-0.8127506	0.13046741	-0.2700932	-0.17101125	-0.078880124	0.27024704	0.6189107	-0.50088346	0.24951088	-0.21072277	0.48546144	0.99972564	-0.39372852	-0.048572905	0.3605456	-0.11019366	-0.361626	0.29395747	0.8339031	-0.32304943	-0.24737075	0.9996508	-0.08853373	0.7242815	0.02496158	0.2922719	0.99841475	-0.9584651	0.2848274	-0.15915444	0.50077003	0.27020139	-0.15495387	-0.38905063	-0.74900395	-0.8075765	0.9979682	0.3231426	-0.48474345	-0.76305574	-0.31619775	0.3597217	0.17435174	-0.6083483	0.72100586	-0.4114833	0.5156658	-0.30264318	-0.9999699	-0.18619457	0.42081824	0.17595139	0.2880618	-0.3932406	-0.2186721	0.7001968	0.038788732	-0.91985357	-0.07327254	-0.14857933	0.32733116	-0.55371773	0.22687963	-0.18936035	0.4245757	0.22098334	0.2322464	0.6280165	-0.3088033	0.34482434	0.4784598	-0.16258688	0.28497812	-0.007761642	-0.1447201	0.660443	0.0018668	-0.48890486	0.7130217	0.94421864	-0.9954273	-0.099460304	-0.47193232	-0.67941546	-0.61423534	-0.1329413	0.18533309	0.9955653	-0.52759844	-0.49607506	0.06964964	0.7326251	0.3057793	-0.033002596	-0.6967168	0.5713071	0.5706474	0.31918776	0.26387894	-0.2894083	-0.18056811	-0.11292357	0.6007059	0.9156898	0.29015905	1	0.06167984	0.2385446	0.10553315	-0.36342302	-0.97245836	0.45647493	0.36025882	-0.38211882	-0.005846206	0.41412765	0.3558762	-0.14664502	-0.029124772	-0.45828104	0.31468067	-0.15697034	-0.54402524	-0.13793498	-0.4191987	-0.29416877	0.27228704	0.36235484	0.8229148	0.26881087	-0.92681384	0.11478634	-0.20078957	-0.59570235	-0.46944916	0.3134615	-0.54465294	-0.29257435	-0.30616835	-0.6461355	0.66101164	0.53118855	-0.5226148	0.06890201	0.21198228	0.2764814	0.99999976	0.4992266	-0.8071566	0.23527572	0.9991021	0.27341434	-0.37486577	-0.9998793	0.11644976	0.6451943	0.16218588	0.23146012	-0.15265326	-0.6098267	0.3710304	0.05390932	-0.29683524	-0.4868797	0.43851313	-0.11331506	0.1839024	0.5586105	-0.9999726	-0.99919343	-0.99465567	-0.37815905	0.47436842	-0.19107302	0.2974001	0.30555424	-0.694367	0.70365	-0.0339903	0.46634978	-0.40629396	0.080659404	0.5696702	0.5418113	0.81696886	0.2878664	0.13227129	-0.9917648	-0.99995846	-0.3158221	-0.23454687	0.2942265	0.09943018	-0.19063286	-0.9769459	-0.7062488	-0.27671573	0.5074165	-0.18847437	0.51489925	-0.16868007	0.113016464	-0.22150263	0.9153771	0.14595668	-0.058869544	0.06148981	-0.29465982	0.08768754	0.5411145	-0.2698929	-0.1270528	-0.18899421	-0.17384146	-0.30347645	0.22792381	-0.08750577	0.10504044	0.16204719	-0.7828403	0.27271235	-0.11813965	0.11040074	-0.9312941	-0.23638017	-0.2435899	0.03765691	-0.32869428	0.17787193	0.99986887	-0.11931197	0.51770526	0.111131504	0.015131249	-0.21897145	-0.6763007	0.3686156	0.042993587	-0.11906605	0.19792898	0.7528965	-0.21528871
402	1	CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-]	-0.074615434	-0.1298785	0.30051094	-0.4217799	0.1878928	-0.5594816	-0.27699062	0.2901331	0.53790647	0.406688	-0.7339772	0.21345848	-0.39624998	0.6024543	-0.37046838	-0.65231794	0.37050626	-0.13931249	0.011724741	0.15153998	0.62402695	0.39244673	0.34341657	0.64318365	-0.4560204	-0.050339457	-0.23852125	-0.014615884	-0.31658617	-0.6978494	0.15527554	0.47696647	-0.864377	0.6339984	-0.6468526	-0.552842	-0.3873993	0.26238385	0.99802995	-0.05363651	-0.9818018	0.16220269	0.2045596	0.2048039	-0.5920609	-0.6747664	0.12256292	-0.1898045	0.880843	0.33540252	0.4153892	-0.2210826	-0.61321604	0.03764632	-0.6390398	-0.16682288	-0.005681851	-0.57842135	-0.26038045	0.2637009	0.38739467	0.7684882	-0.026995309	-0.66840804	0.37528816	0.81513745	0.7914259	0.34454483	-0.56110245	0.05465178	-0.564169	-0.75612247	0.52329737	-0.61283743	0.028021349	-0.80294424	-0.4634612	-0.11248247	0.44945174	-0.99968296	0.8190134	-0.6618471	-0.892788	-0.75890917	0.047179367	-0.7880697	-0.09555689	0.29829547	-0.7787891	0.47681513	-0.03630323	-0.32903722	-0.30120665	0.13924795	0.99962986	0.1086995	0.6093295	-0.24031726	0.10736182	-0.28434888	0.3760908	-0.033882245	0.21159573	-0.72236335	-0.9801207	-0.7134672	-0.31354687	-0.36586893	0.9859681	-0.1791419	0.5935966	0.029591946	-0.47553024	-0.31531718	0.53175336	-0.04182712	0.21471025	-0.062347494	0.9960939	-0.44454217	0.38492844	0.023112925	0.105332315	-0.275615	-0.5984624	0.10746842	0.07957387	0.12174282	0.5578572	0.99983495	-0.033659324	0.5862693	-0.06990015	0.5331228	-0.3842302	-0.9830447	0.69107527	0.5507304	-0.85781544	-0.41756582	-0.99580395	0.47519603	0.3878246	-0.5738203	-0.41580707	-0.708497	-0.6455906	0.3530486	-0.52434605	-0.45275724	-0.33908713	-0.4464312	-0.46255463	-0.27090752	-0.5768841	-0.17526685	-0.14746615	0.16627863	-0.9495235	-0.8461136	-0.80661815	-0.14588624	0.35955468	0.5247676	0.60436976	0.29547164	-0.42786288	-0.24468629	-0.10778033	0.29407293	-0.019820075	0.31989947	-0.2770547	0.16458972	0.59970367	-0.73420686	-0.79601985	0.37442985	-0.35681644	0.26269817	0.16559927	-0.9970708	-0.8148168	-0.39096323	0.66423327	0.038888052	-0.26435864	-0.03604006	-0.8319629	-0.62328756	0.28345698	0.56129336	-0.14588507	0.09383891	-0.7633744	-0.27259976	0.8621102	0.91580105	-0.0764679	0.81185615	0.19439206	0.21074504	0.31821	0.20435286	-0.6292489	-0.8297693	-0.548894	-0.023954382	0.17681822	-0.9991939	0.20534363	-0.16764325	0.060699813	0.19676927	0.6397877	0.3518058	0.21446523	-0.56356305	0.16506504	-0.87395513	0.1861683	-0.76376164	-0.34400606	0.62453514	-0.9615797	-0.39556924	0.5476909	0.67383313	0.53545356	-0.39953893	0.5895009	0.81294346	-0.26000604	0.45026195	-0.78217924	0.1398269	0.024029816	-0.6957404	-0.31508723	-0.2590574	0.41363683	0.36418894	0.40428364	-0.30821195	-0.34036198	-0.06366202	-0.59990484	-0.2574288	-0.005534534	-0.036780793	-0.62789446	-0.99848235	-0.5152963	0.281763	-0.061148413	-0.56575465	-0.18387991	-0.66377944	-0.28541464	-0.5445021	-0.7007568	0.105794854	-0.75190145	0.4568352	0.77804524	0.01662704	0.3008771	0.22804955	0.7209158	0.30706894	0.5997514	0.9344735	0.3718664	0.18290189	0.2984266	-0.7854923	-0.32655746	-0.43093237	-0.8748373	-0.19016871	0.23285745	0.9947472	-0.66694075	-0.658367	0.264229	0.3711279	0.050120745	0.94268703	0.94943225	-0.11774597	0.68283755	0.9234792	-0.021536049	0.9809705	-0.17291793	-0.6131411	0.99867594	-0.9872621	-0.49507082	-0.08891721	0.23465024	0.9404777	-0.830373	-0.5354908	-0.33324197	-0.53030425	-0.8379957	0.28622225	-0.38092658	-0.46243384	0.38138428	0.17562512	0.09537738	-0.17880596	-0.928972	0.59348255	0.42154333	-0.41380012	-0.9999557	0.01631763	-0.40004376	-0.019843886	0.61239886	-0.91454357	-0.19063	-0.6562425	0.3240826	-0.9395171	-0.31679058	0.030205265	0.116092876	-0.5968375	-0.08312898	-0.6236792	-0.65882474	0.3149646	-0.46465766	0.55491287	0.024792641	0.8339821	-0.45858753	0.8599119	-0.25229058	-0.19842595	0.16549855	-0.47272244	0.63314074	0.061833113	0.17943989	-0.68630207	-0.9062705	0.33906204	-0.29877883	0.15828326	-0.04303692	0.60258234	0.42376247	0.9995915	0.21201529	0.123612	0.1101734	-0.71984506	-0.48069793	-0.08294436	-0.68519485	0.45656157	-0.093083315	0.06904483	-0.36995143	0.018078249	-0.7325317	0.15949292	0.5418596	-0.12589423	-0.5332941	1	0.05086065	-0.17989469	-0.22047697	0.4068492	0.11086454	0.6589898	-0.562426	-0.19852324	0.5543844	0.003290619	-0.16153128	-0.7481221	-0.62059164	0.6738821	0.37859657	-0.84450835	-0.05037329	-0.26444247	-0.13706416	-0.91453546	0.52575606	-0.81213164	0.8620368	0.049189012	0.8822196	0.19910221	-0.42703742	-0.0974196	0.008246519	-0.3078146	0.043024674	0.9977446	-0.08575179	0.10322322	0.72319406	0.26366723	-0.5951185	0.912069	0.1904478	-0.13108201	0.9999997	-0.37421677	-0.9448811	-0.25932485	0.9996531	-0.69335747	-0.73003733	-0.999965	-0.3147587	-0.15341607	0.8495745	0.005573535	-0.09949045	-0.08442341	-0.5043221	-0.7041897	-0.25197503	-0.01637324	-0.6577608	-0.30457452	0.17885779	0.42076433	-0.9998867	-0.99668247	-0.8513448	0.6469632	0.18729372	-0.23053013	-0.58887094	-0.6946556	-0.8033471	-0.68814313	0.059936274	0.5467805	-0.8562853	0.39122587	-0.5203338	-0.5162462	-0.4041267	0.086979575	0.37124422	0.40875006	-0.9998829	-0.4062393	-0.09972046	-0.39357278	-0.07330107	0.3894014	-0.18296842	0.8612726	0.6756462	-0.7729963	-0.34139326	-0.03340086	0.38410446	0.95685726	0.6475981	-0.5698198	0.61166376	0.29403275	-0.6179036	0.47558215	0.043667935	-0.07658397	-0.18057859	-0.09062686	0.032932024	0.34625086	-0.49702853	-0.02574357	-0.23289342	-0.41179043	-0.16406463	0.8025208	-0.068524174	0.1578657	-0.040709216	0.972533	-0.14125994	-0.16928566	-0.67746794	0.7332097	-0.8180116	0.9973103	0.5175989	-0.44202426	-0.66814137	0.614535	-0.7889192	-0.19326182	-0.9832399	-0.74186957	-0.5102834	0.36219925	0.6535126	0.010679941
403	1	CC(C)NCC(O)c1ccc(O)c(O)c1	-0.8821028	0.46787193	0.6535942	-0.15032047	0.41388088	-0.3671731	-0.4850993	0.5040359	-0.61570877	-0.09762601	-0.71066487	-0.2721616	-0.27028313	-0.43790936	0.67281115	0.7377722	-0.08526088	-0.1820965	0.26868868	-0.15830447	-0.6407044	-0.81957203	0.586672	-0.05251032	-0.6004421	0.67399645	0.060048793	-0.18109447	0.72143334	0.29485315	0.060267244	0.47469735	0.04868396	-0.07190954	-0.5406049	-0.093131445	0.10413445	0.4570042	0.8682072	-0.8227451	-0.8282967	-0.1618959	0.5424982	-0.6004628	-0.18093158	-0.98641175	-0.40338853	-0.404595	-0.8411365	-0.016258977	0.6747393	-0.51384056	-0.003568509	-0.25547177	-0.28276443	0.44050598	-0.3069504	0.8656497	0.5697947	0.027238311	-0.41070518	-0.79905236	0.12577572	-0.1850531	-0.032170303	-0.6171313	0.3089589	-0.14295857	0.00607084	-0.20020123	-0.9586737	-0.9986179	-0.15262473	0.32437646	0.39831293	0.17101458	-0.54518276	0.17785044	-0.4264484	-0.9970246	-0.98404914	-0.34895647	-0.8823759	-0.16990745	0.22996657	0.31895158	-0.09011219	-0.17124166	-0.36672613	-0.3174026	-0.07772934	-0.17054267	0.18747607	0.44984332	0.9779737	-0.3735799	-0.6080337	-0.09294789	0.4720841	0.116444774	0.1320022	0.10157978	0.10406111	0.38274407	0.18038464	-0.088803746	0.32083848	0.33584708	-0.99999994	-0.36303774	0.27187487	-0.33495572	-0.69947624	-0.38901418	0.53580874	0.7902309	-0.56853795	0.6516811	0.99917656	0.596126	-0.547078	0.21373227	0.35831255	-0.5785707	-0.7304684	0.3998035	-0.43297946	0.11680559	-0.5809987	0.9722771	0.50971454	-0.64368284	-0.59448165	0.49678388	-0.40603232	0.4889265	0.3365757	0.7702557	-0.7375796	0.3183919	-0.9989924	0.8068542	0.95345324	0.68797827	-0.117839456	0.36357638	0.013078124	-0.24792479	0.9342141	-0.30500945	0.11691348	-0.000315912	0.6028578	-0.036502447	-0.031003114	-0.7439916	-0.26995596	0.9931247	-0.64090466	0.98175097	-0.99214697	0.63470405	0.26827973	-0.12688619	-0.38281626	0.035207275	0.3987645	0.4966186	-0.027701104	-0.1912121	-0.20478036	-0.5659701	0.65700525	0.19485383	-0.023522913	-0.93351406	-0.7191535	0.3593286	-0.5771694	0.2090227	0.3255413	-0.7538556	0.072363704	0.001093212	0.13001756	-0.30864054	0.3078127	0.20368768	-0.4083899	0.035314757	0.8347596	0.8254122	0.18484135	0.2494307	-0.28234315	-0.54812557	0.38722157	0.90931106	0.1237543	-0.30133414	-0.6625073	-0.03101888	-0.22560157	-0.47809482	0.21972775	-0.67935014	0.43566146	0.55943733	0.1883656	-0.99548995	-0.40576118	-0.0333307	0.16687389	-0.12665111	0.31891656	-0.20102003	0.35842603	0.68222755	-0.3498982	-0.1712575	0.1373781	-0.37984046	-0.11016302	-0.33936796	0.9999999	0.24604478	-0.41237658	0.2762962	0.3143244	-0.055932056	-0.3431671	-0.59996986	0.09280112	0.5094124	0.16244133	-0.34664348	-0.15404716	0.41633376	0.1121635	0.5808381	0.90860885	0.19707398	-0.40226284	-0.7835078	0.23836169	-0.13029495	-0.18905772	0.4401367	0.4215516	-0.5638915	-0.88181376	-0.99873364	-0.14093485	0.47586435	0.31523582	-0.4045219	-0.16001764	-0.5494842	0.66804224	-0.2335387	-0.27540526	0.05222941	-0.53369504	-0.5114907	-0.10009284	-0.31262338	0.5463992	0.39584407	-0.99950933	0.17863332	-0.7011166	0.91873056	0.40530935	0.061785877	-0.5675423	-0.2664614	-0.12205791	0.6880175	0.5890195	-0.21207371	0.20248428	0.9994429	-0.56325895	0.04697314	-0.25084963	-0.34809446	-0.28025404	-0.9924717	-0.99362034	0.17127304	0.60509807	0.9987285	-0.3546399	0.7111805	0.22930142	0.019850528	0.998361	-0.3988332	0.052405313	0.34552315	0.02608038	-0.23596326	-0.06248647	-0.59474665	-0.27582875	-0.55108213	0.9047833	-0.19085127	0.35841075	-0.052792866	0.6174393	0.066691406	0.21069133	-0.23074059	0.39033115	-0.39128086	0.06552169	0.16007458	1	-0.22400776	-0.50961196	-0.23436801	0.67507184	-0.64300793	-0.5935779	0.32371983	-0.13986306	-0.19762112	0.5097091	0.47116882	-0.022956783	0.009863465	0.19177622	-0.11902501	-0.20296833	-0.9069762	0.2663906	0.14006568	0.2735221	-0.2606105	-0.3783911	0.29248908	-0.17686164	0.32319114	-0.055719975	-0.01166874	-0.5871136	-0.6583182	0.66023	0.79629874	-0.9850446	-0.65013736	-0.26831686	0.23313004	0.24776079	-0.2660098	0.6403288	0.9996626	-0.3918089	0.76577413	0.35429174	0.47993863	0.035206668	-0.38322216	-0.3812602	0.11818058	-0.041594394	0.10048426	0.42816636	-0.48942703	0.35125804	0.6235202	-0.2496694	0.6954444	0.2720599	1	-0.03266154	-0.18138519	-0.33903804	-0.3710877	-0.6447807	0.17465754	0.002952835	0.20284943	0.26585597	-0.35266182	0.48851883	0.4770419	0.018042054	0.5074244	-0.37937802	0.29700392	-0.011616786	0.27300552	-0.24528278	-0.5894182	-0.059125677	0.5298963	0.08811582	0.40130466	-0.18651599	-0.1165107	-0.23537543	-0.017917968	-0.13106547	0.17689008	-0.25913757	-0.85926956	0.28508985	0.3309458	-0.251453	0.44248256	-0.36891133	0.23827054	0.5694466	-0.31786913	-0.999937	0.4195983	-0.9802148	0.2548115	0.9998104	-0.66357696	-0.18352799	0.633591	0.22844714	0.7011123	-0.13189468	-0.26374045	-0.61144316	0.35622582	-0.06073167	0.30407828	0.08209489	0.3638121	-0.7825267	0.045161095	-0.037790846	0.50684065	-0.9999588	-0.99755645	-0.9694551	-0.19501656	0.16061893	0.5027498	-0.20814388	-0.7597673	-0.019534225	-0.25300702	0.069027826	0.12344681	-0.67529655	-0.19504121	0.28273445	0.19949962	0.65946317	-0.028953923	0.15235253	-0.89496124	-0.9999379	-0.5817582	0.046255387	-0.633555	0.3767798	-0.283785	-0.6581932	0.28150353	-0.8221712	0.052571114	0.38258576	-0.35845098	0.48892078	0.9419182	0.18143944	0.37641335	0.5505349	0.6321625	-0.06366922	-0.9736525	0.114096716	0.39249927	-0.2524385	0.6989765	0.76770633	-0.2831245	-0.53727174	-0.6749676	0.65229046	-0.6848375	0.5893327	0.50015336	-0.8543936	-0.023593336	-0.1406805	0.37830952	-0.16200341	-0.13418366	0.53388005	0.43572053	0.22953856	0.99998355	-0.20458126	0.1332382	-0.004720353	0.30105135	0.52311724	-0.2489616	-0.8037579	-0.041744243	0.010895668	-0.6772346	-0.14675052	-0.7743366
404	0	CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1	-0.64752835	0.3935256	0.26242492	-0.50092715	-0.44054207	0.37860534	-0.6148006	0.68710774	0.17910394	-0.44795585	-0.53392917	0.07284431	0.5186386	-0.48796582	-0.45712337	-0.7580738	0.038870554	-0.66392833	0.56966144	-0.1246784	0.107069224	0.48813418	-0.059949048	-0.1442675	-0.35980144	-0.52428466	0.20419444	0.563688	0.056086533	-0.47500932	-0.45325664	0.032062247	-0.35408583	0.31243175	-0.46679935	-0.3148026	0.4599991	0.09700262	0.99897766	-0.22947185	-0.9835704	-0.24853233	-0.30123407	0.36773098	-0.23175958	-0.36536583	-0.9178874	-0.10788443	0.30824775	0.6390557	-0.12210032	0.15603764	-0.52361447	0.14096168	-0.08391771	0.0924929	-0.6571001	-0.55594003	0.027666	-0.42206213	0.49656448	-0.066717595	0.11191644	-0.2599127	-0.5368207	0.34851468	-0.4808221	-0.110733636	0.3485214	0.4129604	-0.9668499	-0.94784105	0.23033267	-0.7011126	-0.14901926	-0.46772116	-0.25968757	-0.011278329	0.25062484	-0.9986176	0.61262906	-0.113736644	-0.95233494	0.7727137	0.6666148	-0.85602635	-0.08720867	-0.6376181	0.49183124	0.44164336	-0.4666019	-0.6323684	0.7932179	-0.38062206	0.9991137	-0.68947434	0.69743687	0.5370865	-0.06286434	0.19321015	0.056045923	0.27996275	-0.012199339	0.87445736	-0.9928936	-0.9455272	-0.21820243	0.4559807	-0.96209586	-0.2631517	0.53128386	-0.24769057	-0.16051356	0.047657836	-0.6133177	-0.37420127	0.54758316	-0.027703827	0.9819744	0.1889341	-0.060796175	0.42720342	-0.56470054	-0.12975226	-0.72857964	-0.38425738	-0.22592258	0.13237242	-0.22414704	0.9994368	-0.29516098	0.42798424	-0.7061265	-0.5522129	0.21036616	-0.9795296	0.28629154	0.46540356	-0.47524276	0.4040804	-0.9999421	0.18139197	0.64241	-0.44109738	-0.65729934	0.061119914	-0.5014881	-0.005533137	-0.92831784	-0.015190993	0.3201971	0.68967956	-0.2830014	0.093220994	-0.5444506	0.13438398	0.11390623	-0.1820465	-0.90380824	0.5243083	-0.664002	0.22774102	-0.028508255	0.6492707	0.4227389	0.36168852	0.8499227	0.173814	-0.3243907	-0.004835795	-0.079906076	-0.11928155	-0.41522056	-0.32385004	-0.10049255	-0.8205793	-0.79627305	-0.058576565	-0.5801835	-0.226317	-0.20303261	-0.9285048	-0.7517762	0.18484065	0.50166863	0.1500847	0.08006522	-0.0729696	-0.039208934	0.5191548	-0.65728843	0.41725543	0.60755616	0.16626951	-0.35667014	-0.619826	-0.22806129	-0.80457604	-0.14323366	0.009305195	0.26945388	0.16540183	0.9151788	-0.68379915	0.76020426	-0.35554367	0.7450436	-0.3801485	0.78142804	-0.99992305	-0.36863485	-0.6841075	0.7402749	-0.32718557	0.4164076	0.57914126	-0.37713844	0.35533392	0.44710526	-0.28024232	0.097969495	0.24852705	0.7286853	-0.06517326	-0.95491844	0.3732915	-0.16947591	0.8920979	-0.43899646	-0.5738675	-0.16403115	0.44262776	0.4132215	0.2293838	-0.7392261	0.088025354	0.62355	-0.42337024	-0.6951431	0.34037375	0.80288863	0.60326797	-0.3046005	-0.10587021	-0.30815622	0.15584172	-0.21453623	0.34787732	-0.58419347	-0.17788129	0.6704561	-0.9670484	-0.52104133	0.76347446	-0.33141065	-0.07975864	-0.815723	-0.3764044	0.53385127	0.4720359	-0.016274532	0.23810424	-0.6718458	-0.5723219	0.7434246	-0.21308255	0.12653643	0.6609922	0.824698	-0.59360653	-0.1127664	0.9899892	0.389779	0.55455875	0.2910765	-0.8640485	-0.6479713	0.49123096	0.48412675	-0.09371043	0.11544091	0.99439836	0.16209026	-0.3449712	-0.5713211	0.26238853	0.25882417	-0.03484802	-0.6770759	-0.012386824	0.6075336	0.8899131	0.5055449	0.7406476	-0.8501873	-0.10487281	0.9999516	-0.9676883	0.28017175	-0.23156102	-0.1610855	0.70502865	-0.6517423	0.4318205	0.73916185	0.62505823	-0.9676827	0.095577344	0.5931812	0.23289098	0.077515565	0.102231115	-0.5007527	-0.3562542	0.28536668	0.5706452	-0.49094218	-0.8999488	-0.9266744	0.4230419	0.62895864	-0.34324637	-0.40384886	-0.60655016	0.42432505	-0.78354	0.112833425	-0.6749763	-0.18938726	-0.5618554	0.3109086	-0.22609162	-0.75020224	0.30666512	0.5400702	-0.06848382	0.8865092	-0.25812638	0.109802626	0.2633716	-0.33606225	0.5617194	0.19494778	-0.11785188	-0.17644213	-0.087944284	0.17291154	-0.5364642	0.18373965	-0.8407154	-0.86414987	0.35220125	-0.12630783	0.28745997	0.36200705	-0.20965117	-0.63522506	0.99983597	0.5145093	-0.5902805	0.7516915	-0.26633748	-0.66058487	0.73966146	-0.69990295	0.5486568	-0.016844803	0.15981229	0.054100316	0.47199652	0.5788896	-0.14233522	0.16900195	-0.52179503	0.36085683	0.98685735	-0.29970407	-0.058289316	0.24791163	-0.29309458	0.28444937	0.013481457	-0.7116699	0.41689393	0.77268434	-0.32302323	0.73362017	-0.33980885	0.10677944	0.67442346	-0.44320393	-0.090596735	0.25638127	0.13016105	0.719739	-0.79541355	-0.53006417	-0.50000715	-0.14087012	-0.053880244	0.81323165	0.038731072	-0.38764435	-0.8638666	0.47432685	0.5265886	-0.08127005	0.08710325	-0.25125128	-0.4616359	-0.7860843	0.2560739	-0.52834356	-0.23736925	-0.08355023	-0.39477682	0.99986905	0.021091169	-0.9711442	-0.625568	0.9997212	0.11534742	0.10135016	-0.9993012	0.48878992	-0.7200407	0.32991692	-0.15301415	0.2739491	0.16376784	-0.60169184	-0.42864677	-0.26752535	-0.17759895	-0.15474704	0.24046145	0.50792366	0.060063493	-0.9999114	0.9930787	-0.15043631	0.27010655	-0.34633106	0.007056147	0.5925455	-0.36399195	-0.84754944	-0.43453708	0.38496923	0.84868455	-0.4641855	0.045528006	0.20887807	0.6966262	-0.15910228	-0.30036268	-0.86741585	0.54939353	-0.99961054	-0.03883283	-0.16528101	0.36015004	-0.15824607	0.18768394	-0.52885133	0.42939946	-0.02687101	-0.24043374	-0.27570385	0.25390702	0.53393143	0.96923167	-0.085383415	-0.002033507	0.5160016	-0.30514485	-0.24924706	-0.46385676	0.14172557	-0.32873285	-0.44311336	0.06837783	0.097244985	0.45393842	0.77306104	-0.5728242	0.21151645	0.43068075	-0.21173997	0.63819253	-0.37445277	0.1966315	-0.5189838	0.9965154	0.36056432	-0.19116437	-0.29949507	-0.37490588	-0.409061	0.999179	0.56453997	0.12770243	0.64746916	0.31185782	-0.6173579	-0.5253679	-0.9979031	0.001527822	0.38071302	-0.14259622	0.10996572	-0.8762089
405	1	CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1	-0.15883294	-0.18924144	0.5888525	-0.13663082	-0.001810762	-0.36256948	-0.64109737	-0.16955926	-0.11570637	0.35046807	0.3326873	-0.21578056	-0.20602815	-0.36361098	0.14503992	0.17298387	0.18150578	-0.864575	0.43518534	0.61344624	-0.4120939	0.5981863	-0.2162816	-0.030627742	0.0670544	0.46616182	-0.5976908	0.7951627	-0.18672279	-0.6281595	-0.19602025	-0.6884384	0.38584694	-0.2921142	-0.14765635	0.11661625	-0.73161834	0.6568981	0.9997767	-0.52376354	0.49907282	0.5521266	0.44099748	-0.4971006	-0.3446056	0.9909847	-0.81997156	-0.054890133	0.7443895	-0.678209	0.08383719	-0.23024218	-0.25333738	-0.41341037	0.7587887	-0.088029146	-0.10912679	-0.98183244	-0.23354745	0.3706091	-0.68249875	-0.35690293	-0.037524514	0.39960414	0.20162703	0.40475076	0.130523	0.1953813	-0.27730933	-0.09136551	-0.98975915	-0.84198046	0.3051162	0.05595783	0.41487613	0.47894424	0.08274249	0.34601745	-0.13602382	-0.99490243	0.82839954	-0.64994305	-0.9668602	-0.109420665	-0.24228962	-0.9035112	-0.28453195	0.06996326	-0.54969585	0.47841752	-0.024412515	0.41397583	-0.51267177	-0.52864	0.99855494	-0.5084777	-0.04784334	-0.5509814	-0.008294891	-0.43682942	0.11853451	-0.1475537	-0.42345032	0.9956423	-0.999895	-0.7568835	-0.042329296	-0.24536297	0.95114964	-0.25662017	0.73536414	-0.2683782	0.23823649	-0.14156587	0.36823386	-0.10919831	-0.14751805	0.4410415	-0.67155015	0.5798911	-0.05601389	0.5510911	0.36565784	-0.75411874	0.15494841	-0.43894863	0.5540904	0.010429719	0.57237816	0.9988096	-0.09766046	0.11727773	0.014525203	0.75905544	0.7432968	-0.9849075	0.11105845	-0.29442698	0.5537381	-0.45913842	-0.9999999	-0.6450699	-0.5146745	0.06685947	0.5035947	0.027789628	-0.17177667	-0.31182677	-0.99994093	0.06923178	-0.04503963	-0.11997779	0.3781541	0.048200786	-0.5996982	0.41265252	-0.25719622	-0.99808204	0.17602393	-0.9689437	0.9447232	-0.035450615	-0.18883596	-0.87784827	-0.3394553	0.26802078	-0.12728275	0.43964857	-0.04350893	-0.16539383	-0.41627628	0.1444032	0.15958099	0.42993808	0.23526753	-0.6449581	-0.44391143	0.59069616	-0.8620133	-0.62449557	-0.002945588	-0.69515556	0.05911462	-0.117965035	0.95783216	0.62993246	0.21672787	0.49040607	0.33430794	0.8693008	-0.5978272	0.13985388	-0.44035077	0.13028544	0.040983494	-0.37345874	0.27740812	-0.9140635	0.12586622	0.8085581	-0.8944945	-0.44137192	-0.10729763	-0.2363417	0.6387732	-0.013821707	0.44657043	-0.7054398	-0.16096441	-0.9998323	0.55675584	0.112151586	-0.22368047	0.629677	0.29022992	-0.07206014	-0.60634255	0.7547074	0.819674	0.07725155	-0.2274856	0.66530675	0.2276938	0.60169125	-0.9713065	-0.049380127	0.2311647	0.5829897	0.07415981	-0.022730695	-0.5042778	-0.43444735	-0.002899003	0.1799051	-0.05382792	-0.5741369	-0.12418292	-0.002841614	0.54687965	0.098053545	0.89693105	0.6271617	0.052019224	0.4523147	0.3211306	-0.050615937	-0.2737488	0.34503803	0.2727716	0.7487451	0.44033185	0.6824316	-0.4609577	-0.14771731	0.54025877	0.616656	0.15957822	0.10488696	-0.38001797	0.47381625	0.52476406	-0.23663764	0.20105915	-0.13369763	0.08435846	-0.73327214	0.5875933	-0.026593894	0.9595277	0.1947722	0.11138817	0.999672	0.1057425	-0.07660842	-0.42990142	-0.7263072	0.27927396	-0.57371837	-0.4801965	-0.2687661	0.3372563	0.15589163	0.6908858	-0.261664	-0.12594153	-0.65216345	0.35624376	0.96878767	0.51750064	-0.43412086	0.42426276	-0.9719978	-0.2065015	-0.5988581	-0.25450733	0.3343659	1	-0.94799876	0.3945243	0.29402375	0.043563496	0.3055621	-0.079055496	-0.31958705	0.012819043	-0.07207332	-0.9999354	-0.3313799	0.974553	0.1111473	0.33270642	0.85169905	-0.65883327	0.25798744	0.3796748	-0.19257589	0.05985521	-0.3473686	-0.99986047	-0.2521904	0.09461135	-0.71743315	-0.19406745	-0.55572873	0.7347093	-0.5010197	-0.660855	0.47729552	-0.164486	-0.30772412	-0.21080431	-0.15699959	-0.23049589	0.37914866	-0.34277743	0.3899827	-0.20966978	0.58321244	-0.6736708	0.09546053	0.6595737	-0.7927419	-0.04813798	0.08351294	0.39719176	-0.29718485	-0.58081573	0.1271013	0.04973549	-0.9950525	0.77752787	0.10677478	-0.22541766	-0.46505943	-0.10050475	0.41828525	0.2176311	0.99873406	-0.38124296	-0.23429945	-0.7197608	0.010026844	0.6094964	0.39802063	-0.5239522	0.21624464	0.037525687	-0.28703764	0.3655471	0.38321483	0.54191715	0.2273324	-0.38199165	-0.90252876	0.07717764	-1	0.06979499	-0.535198	0.73560387	0.00147103	0.90301347	-0.45679486	0.76725984	0.29298338	-0.32596216	0.2391236	-0.29789546	0.07154604	-0.27767512	-0.9242414	-0.17730516	-0.02321659	0.48448732	-0.26138997	-0.06645828	0.7305203	-0.027578091	-0.38894287	-0.65209407	-0.7589629	0.9829913	0.6252709	-0.65913725	0.5839465	0.6072716	-0.5575577	-0.8823457	-0.54110384	0.16833055	0.43663934	-0.14361072	0.65652955	0.51697063	0.43519145	-0.3123891	0.22953388	0.9999986	0.63821363	-0.92790353	-0.5961205	0.99416083	-0.18711473	0.79424787	-0.9998904	0.8173216	-0.99276674	-0.8301687	-0.46687272	-0.36474812	-0.046531375	-0.039837874	0.20770176	0.048953086	0.47505468	-0.46213323	0.06484698	0.13182549	-0.29381323	-0.9969246	1	0.98713017	-0.7100094	0.44631135	-0.68634456	0.18130688	-0.2135374	0.51155597	0.122354165	0.25733423	-0.34880823	-0.37942845	-0.24449623	0.55856174	0.48008505	0.6258621	-0.28007838	-0.08508302	0.9976734	-0.89646447	0.7260356	-0.72593933	-0.029540602	0.123759046	0.27536204	-0.266614	0.41899997	-0.1537158	-0.566823	-0.20777719	-0.701306	0.27033302	0.902558	-0.23503633	0.7910145	0.18667248	0.52317894	-0.5518108	0.41113266	-0.2247513	-0.19409259	0.17465018	-0.1384577	-0.94427794	0.6304878	-0.08931127	-0.14979833	0.7307277	-0.45651466	0.63327926	-0.43344367	-0.132822	-0.10752774	0.17875738	0.9998635	0.06713984	-0.5456163	0.062140778	-0.39099175	0.5453727	0.9991385	0.40663925	0.74210197	-0.15845694	0.6191103	0.37084913	0.61382043	-0.99892	-0.27352008	0.46153855	0.23582366	-0.25333196	0.37624973
406	0	O=C(O)C(O)C(O)C(=O)O	-0.7775362	0.16801435	-0.90212405	0.29218292	0.27948168	-0.08045692	0.01647424	-0.6367217	-0.28594586	0.47172728	0.30695242	-0.30595192	-0.61442405	-0.17878184	0.5546589	0.7747473	-0.26509476	0.22018255	0.13688782	-0.077720866	0.4416367	-0.9129771	0.4503141	-0.631333	0.054649882	0.25468123	0.13953298	0.3527893	0.34894592	0.58842117	0.2720408	0.5030383	0.13650718	-0.08141706	0.49888557	-0.72335553	-0.31629607	0.28831226	-0.19632944	-0.012301539	-0.5706333	-0.65269274	0.2258373	-0.48465768	0.14838688	-0.99653786	0.12960093	0.31997252	0.671116	0.21584271	0.2607512	0.6930042	-0.46578062	-0.10313469	-0.5461188	-0.30443525	-0.31204185	0.9233517	0.17604102	-0.25677568	-0.010363608	-0.6386256	0.018395279	-0.29344174	-0.044997763	-0.0863799	0.14652309	-0.3335779	-0.22765169	-0.3404064	-0.42419255	-0.99997973	-0.1671047	0.93888694	-0.71415347	0.87234443	-0.28619066	-0.25721467	0.119587295	-0.9988964	-0.97407293	-0.34731418	0.06319479	-0.7131954	0.37211567	0.9944252	0.52595407	-0.23933247	-0.3111516	0.2270771	-0.085392416	0.81671304	0.023420451	0.41103163	0.99938166	-0.15587689	-0.98245347	-0.5302239	-0.06837425	0.017640056	-0.29952297	-0.12855384	-0.40938598	-0.6993306	0.9277248	-0.3160321	0.55897135	0.6649334	-0.9999998	-0.31716058	-0.25221413	-0.37893555	-0.7876345	-0.7063881	0.47477335	0.61699486	0.14480732	-0.27619064	0.9997234	-0.3226828	-0.15416412	-0.15853176	-0.33936277	0.084693894	-0.446051	0.32232103	-0.42960694	0.116207644	-0.010315539	0.21179187	0.24991584	-0.75804347	-0.663802	-0.15172964	-0.42055964	0.97919315	-0.41546395	0.043380924	-0.49443936	0.12522453	0.9999058	-0.42619267	0.47519854	0.27215248	0.71454513	0.13848971	0.3746989	-0.3275876	0.99082875	-0.18548548	-0.04470165	-0.75883865	-0.39815322	-0.114178024	0.17052516	-0.5590517	0.26410544	0.99905413	-0.5854316	0.01056139	-0.99607086	0.3751075	0.20675156	-0.5007306	0.4779492	-0.12401564	-0.48545593	0.6944723	-0.37920958	0.12210197	-0.6147177	-0.36031973	0.018962985	0.60154283	0.3828762	-0.913505	-0.49829227	-0.096698575	-0.25841838	0.23215964	-0.30166146	-0.99959224	-0.15670621	-0.57598746	0.27827257	0.11811539	-0.13060974	-0.0249858	-0.43321264	0.56445795	0.86546177	0.22906889	-0.117128834	-0.26445284	0.06787995	-0.70433694	0.6759022	0.9623383	-0.8181292	-0.22757627	-0.8460759	0.11297163	-0.22083096	-0.6364691	0.6868899	0.06665301	0.5526571	0.9278459	-0.09323562	-0.9543571	0.14811827	0.14337842	0.41163388	-0.23680945	0.12628049	-0.097702004	-0.24779941	0.51301825	-0.17323998	-0.42587337	-0.37182102	0.19647296	0.7599073	0.44365367	1	-0.24919982	-0.47567412	0.2524438	0.36377555	0.15395713	-0.20264356	-0.5001449	-0.1363205	0.013649121	-0.5480985	-0.50910777	-0.35975856	0.35868105	-0.07040947	0.22311299	0.6952003	0.16789906	0.08202157	-0.75311583	-0.78889596	0.39164713	-0.29325873	0.27315018	-0.25169292	-0.73828894	0.018593743	-0.99988306	-0.6517067	-0.048747264	-0.08754649	0.20126647	0.32084903	0.4270023	0.19336636	0.5174175	-0.10702878	0.31449613	0.54307777	-0.5667384	-0.3467429	0.28071415	-0.24685293	0.77850753	-0.8113576	0.16925225	-0.5660453	-0.22817922	0.8175757	0.1909059	-0.014267891	0.87265694	-0.007209586	0.51885515	0.3752633	0.3080973	-0.43296698	0.999165	-0.16812885	-0.358548	-0.16957411	-0.5109805	-0.83586884	-0.9985953	-0.9968237	0.02510903	0.49971783	0.9997057	-0.568934	0.7163943	-0.25941467	-0.15607543	-0.9994616	0.9377298	-0.057482768	0.091578044	-0.11375139	-0.09259368	-0.20661338	0.24950483	-0.22704904	0.24460065	0.9972009	-0.47542137	-0.08499369	0.022394214	0.09108607	-0.42579573	-0.07051202	0.101042494	-0.9582363	0.14687741	-0.32494462	-0.41354722	0.9999994	0.3273959	-0.22730064	0.60556924	0.1542346	0.34837875	-0.6790088	-0.024671925	-0.4581161	0.3019183	-0.27736485	-0.4669669	0.43578327	0.034916498	-0.50010884	0.32770523	0.033629786	-0.9976867	-0.46910942	-0.40204707	-0.5528139	-0.10652581	0.43035868	-0.10085819	-0.003561678	0.4615327	0.5260591	-0.3966674	0.2002466	0.20255128	0.08608828	0.95385104	-0.977	-0.34803823	0.3442683	0.34597155	0.059903257	-0.428882	-0.4574792	0.9974695	-0.34116134	0.9903357	-0.26075014	0.46768847	0.5881638	-0.08649805	0.8171793	-0.2729218	0.29899076	0.6852384	0.040294237	-0.47827104	0.13812365	0.15309185	-0.04984999	0.84710145	0.315478	1	0.49203894	-0.3276459	0.45106763	-0.7715089	-0.89676297	-0.1714263	-0.46153972	0.05134379	0.379798	-0.3354436	0.64385873	0.22934084	0.39020628	0.18231256	0.013776716	0.2210658	-0.075853355	0.37576634	-0.48589677	-0.9023518	0.16205908	0.948441	0.5038386	0.9502317	0.8379023	0.24879427	-0.07562305	-0.3969569	-0.21710418	0.38587478	-0.45301348	-0.18223697	-0.70047075	0.5124038	-0.036381092	0.17837285	0.16177827	0.046651304	0.6896397	0.3441262	-0.99990135	0.23532902	-0.9535703	-0.005354707	0.9993917	-0.5138089	-0.17164974	0.64929175	-0.63314414	0.86162096	0.04337011	-0.358152	-0.53990734	-0.08978411	0.37182423	0.95546263	0.2791278	-0.49510098	-0.4697261	-0.35722023	0.06657091	0.18319617	-0.99993306	-1	-0.9977018	-0.127345	-0.2414327	0.8358784	-0.09901189	-0.5727341	-0.72496545	-0.06538543	-0.1320536	0.23378152	0.08528989	-0.15801336	-0.007630112	0.18188249	-0.28250128	-0.41062698	-0.15060753	-0.9960596	-0.9999257	-0.76313746	-0.3411822	-0.16514385	-0.002337652	-0.2676671	0.92866516	0.63858557	-0.73558545	0.26541474	0.5586213	-0.44196406	0.05851982	-0.97242683	0.34523004	0.5644098	-0.20433518	-0.4874088	-0.30512276	-0.92821836	-0.4582695	0.35027346	-0.045218304	0.9892635	-0.96641034	-0.2239782	-0.60687923	0.049978983	0.46358192	-0.14024773	0.28518474	0.50054395	-0.7386026	-0.24959378	-0.43626517	-0.89913726	-0.19187514	0.31548896	0.36663708	0.17013454	0.21917807	0.99997103	-0.42329127	-0.62072515	-0.4788018	-0.5652204	-0.09959852	0.10160048	-0.059766073	-0.6549741	-0.4128455	-0.6409888	0.7997714	-0.054803383
407	0	CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	0.92604256	0.61117333	-0.21666826	0.359917	0.29229134	-0.81066513	-0.69014704	-0.23668106	-0.097442575	0.07468401	0.51200944	0.53186595	-0.59161	0.69007975	0.29816884	-0.80097336	0.042239405	-0.028027195	0.27409327	0.07567394	0.29591143	0.5500554	-0.38930964	0.110029355	-0.71942276	-0.6056063	0.16765866	0.14217004	-0.7015051	0.16277462	-0.375981	0.18707773	0.58989096	-0.25549978	0.51573396	-0.3045876	0.09227255	0.5338556	0.99975497	0.41661423	-0.5376962	-0.06283963	-0.120268725	0.23683769	-0.7310819	0.8878158	0.30657923	0.33404437	0.93925375	0.44752038	0.8140684	0.41217488	-0.9129605	0.2368917	-0.015939405	-0.30714327	-0.46792147	-0.9429373	0.4057019	-0.20388159	-0.33617637	0.5921365	0.28834802	0.3243246	-0.25635052	0.86656094	0.8902623	-0.058302116	-0.3497258	0.038265362	-0.733649	-0.7083469	-0.59238607	-0.76165706	0.07674086	0.051213484	-0.6411521	0.08287388	-0.2403688	-0.9999159	0.7899713	-0.43931133	-0.9779613	-0.40571865	-0.12983267	-0.9078006	-0.10255274	-0.14342304	-0.6715947	0.4441388	-0.6429643	0.061241668	-0.4828542	0.660264	0.9999365	-0.21788296	0.094186954	-0.67512596	-0.37802145	0.31294885	0.44839233	-0.45744476	0.47070312	0.78645754	-0.99958396	-0.9404837	0.4518094	-0.036875833	0.97687876	0.5663353	0.48635337	-0.5490656	-0.59379673	-0.31853965	0.6355645	0.4840142	0.59400713	0.5902431	0.7482786	-0.35258764	0.22032565	0.16811442	0.029248308	0.1368519	-0.68362653	0.059825838	-0.4270465	-0.35436365	0.44774625	0.99960375	0.09186167	-0.23850994	0.4948568	0.22932918	-0.6351579	-0.9954995	0.07939468	-0.37534836	-0.53955555	-0.12357665	-0.99966013	0.030213188	-0.63236594	-0.43606034	-0.2603832	-0.5631813	-0.6696993	0.032758247	-0.998117	0.07156866	0.2262157	-0.5502541	-0.2869547	-0.45581564	-0.73742306	-0.2756575	0.13558224	-0.9728899	-0.92858833	-0.94730127	0.33990657	-0.15698332	-0.21161227	0.56062585	-0.60233027	-0.03897828	-0.4694349	-0.017684113	0.2882027	0.43747047	0.28856134	0.22807851	-0.4078057	0.099130124	0.70159227	-0.88001317	-0.6883424	-0.07002359	-0.64111686	0.32824093	0.42761472	-0.9990686	-0.19432366	-0.63923395	0.8292683	-0.2789519	0.52286124	0.39002937	-0.30150965	-0.4964562	-0.43874744	0.0538585	-0.41146356	-0.1465163	-0.44745466	-0.21015987	0.4156517	-0.45515725	-0.048833538	0.70831096	0.26087472	-0.30355248	-0.22811276	-0.19970192	0.002106548	-0.85183996	0.47165373	-0.3365231	-0.3903069	-0.9998908	0.23112221	-0.11939381	-0.28507137	0.25590083	-0.012918992	0.6073979	0.35593277	0.27163976	0.02262857	-0.90728164	0.0856995	-0.48075297	0.117586225	0.66975886	-0.98848474	0.14589898	0.21625365	0.5885209	-0.27659383	0.09414843	-0.62576026	0.42693076	0.14230235	0.116458006	0.22768056	0.28329623	0.18987969	-0.059898853	0.19450498	-0.064647146	0.79625523	0.15106551	0.7970072	-0.540615	0.44828424	-0.3598932	-0.000316016	0.044507183	0.13337217	0.45406446	0.000866021	-0.97299325	0.023304021	0.5988749	-0.59943753	-0.0244047	-0.31771418	0.1622206	-0.22785188	-0.6380874	0.14627413	-0.54487073	0.35423535	-0.3733484	-0.038744386	0.24673486	-0.03676603	0.37463275	0.9379276	-0.23501243	0.53019357	0.9943614	0.4979457	-0.001710659	-0.56027526	-0.711807	-0.47340012	-0.04341246	-0.20489426	-0.23439702	-0.04194486	0.9036831	-0.66736376	-0.06345573	-0.69629365	-0.26678914	0.0917826	0.85796183	0.7269834	-0.4138607	-0.5660548	-0.6039697	-0.18744338	0.76316154	-0.013914945	-0.4800714	0.9998816	-0.9615648	-0.37485275	0.3508411	0.5099363	0.6686286	-0.82817554	0.34826908	-0.6857799	-0.30085954	-0.9990323	0.14315338	0.81508875	0.3610319	0.32496348	-0.1270468	-0.6276306	-0.7033019	-0.9207027	0.062002953	-0.3637889	0.45646745	-0.9998912	0.09441357	0.14567453	-0.33720168	0.44482154	-0.9105505	0.18989033	0.27762774	0.10876637	-0.81951255	-0.22267666	-0.43278766	-0.3724629	-0.81047446	-0.07211522	0.2986703	-0.25031686	0.3120556	0.3335011	0.2761041	0.092971444	0.8044303	0.46858838	0.7803039	-0.68277043	0.10905704	0.106482014	-0.1872938	0.38954687	0.54346603	0.22054338	-0.9785605	-0.001916659	0.7523189	0.3752652	-0.27251467	-0.24448614	0.5742662	0.46096945	0.99970883	0.6016198	0.15583527	-0.36663637	0.22875562	0.2773085	-0.2740658	-0.86279577	0.35993788	0.24243858	-0.4752509	0.3403278	-0.38626587	-0.23003294	0.38089862	0.15023166	-0.61214703	-0.206561	0.9901	0.085836306	-0.10724434	0.39088246	-0.044200048	0.42776778	-0.6292826	-0.35733628	0.007975975	0.38072905	-0.55575305	0.53650075	0.10627646	-0.65085775	0.587837	0.018689157	-0.3848588	-0.1442368	-0.49688846	0.51301587	-0.68775314	-0.058978494	-0.1900033	-0.5201821	0.21619792	0.9937928	0.2175167	-0.25766286	0.19043136	0.8656068	-0.45116153	-0.47041786	0.97338134	-0.23068477	-0.41811624	-0.5324751	0.3126327	0.20589603	0.6731133	0.8430617	-0.056149825	0.99999964	-0.55163336	-0.9823845	-0.360635	0.99978936	-0.6350514	-0.6385626	-0.99991095	-0.4370511	-0.9093878	0.6143392	0.21866943	0.11798914	-0.58077264	-0.022773534	-0.6392262	-0.075054824	0.61664766	-0.045143325	-0.3750572	0.18041739	0.061822664	-0.99972254	0.9970634	0.7731609	0.65865517	0.36380506	-0.44422677	-0.43232965	-0.5862305	-0.36312073	-0.6764123	-0.46121353	0.7926162	-0.92511237	0.3873641	0.12572798	-0.3475976	0.048303507	0.7020889	0.14183053	0.98313177	-0.9974867	-0.44077712	0.030540818	-0.37342134	0.10714493	0.24300562	0.5260742	0.85412997	0.5395121	-0.12195555	-0.07265582	0.19455841	0.2785382	0.9860864	0.039296463	0.66392154	0.15571353	0.01980792	-0.75867236	0.5594833	-0.6285267	-0.64738494	-0.2642475	0.22742686	-0.6724094	-0.14954202	0.2020703	0.49709356	-0.30781364	-0.33705512	0.4185399	0.815224	-0.8029073	0.22083335	-0.5586161	0.9993263	0.6730478	0.4542884	-0.28667587	0.12447637	0.22529182	0.9997703	0.4750176	-0.07544455	-0.7592429	0.07685029	-0.7530033	-0.59717333	-0.99640656	-0.5062771	0.04473794	0.33406046	0.43994406	-0.67796975
408	0	C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC	-0.11231784	-0.261433	-0.28217894	0.28658846	-0.6075047	0.7297233	0.17455295	0.090351366	-0.097098306	0.67505807	-0.09022081	0.13425614	-0.01866312	-0.31811082	0.035716116	0.4316272	-0.11528978	0.38480908	-0.5173331	-0.062490817	-0.00781538	-0.11581839	-0.6059216	-0.2528062	-0.3340098	0.6047437	-0.4182977	-0.31092528	0.5560441	0.27866113	-0.5437062	0.08103702	0.892392	0.5608566	-0.37448388	-0.60264	0.34850833	-0.4267179	0.9993998	-0.30294257	-0.31656167	-0.5791151	-0.022439428	0.017114395	0.5945358	-0.4413013	0.65755653	-0.28460288	0.9638155	-0.460377	0.48229736	0.24712457	-0.22876084	-0.33726504	-0.79460216	-0.16166209	-0.015198729	-0.06521872	0.7699188	-0.9033664	0.12694833	0.21574481	0.2316923	0.6925135	0.5653522	-0.48403752	-0.06220973	-0.1464515	0.35508764	0.7494776	0.05185543	-0.7183855	-0.33523437	0.9193691	0.24934371	0.72925633	-0.44709957	0.5172567	0.5643237	-0.99972665	-0.48576647	0.5177614	-0.7965942	0.3098366	0.034597903	-0.8849392	0.061079122	-0.019691037	-0.2818152	0.36290428	-0.40670526	-0.20233935	-0.6626795	-0.30355817	0.9969449	0.24077727	0.8140296	-0.2782228	-0.60092705	-0.50553054	-0.36366194	0.7277362	-0.26252857	0.8533171	-0.9973778	0.63383764	-0.058166187	0.30593595	-0.9131321	-0.13696969	-0.4867927	0.2827534	0.36982	0.04538368	0.6761619	0.062337708	-0.2554351	0.48682347	0.9764277	0.41858694	-0.5756568	-0.3653536	0.25672048	-0.031032972	0.0510082	0.21856965	-0.34428054	-0.22581191	0.015384614	0.9998865	-0.004878519	0.15525237	0.22187202	-0.16121724	0.31862116	-0.9249399	0.5969694	0.32607013	0.33499813	-0.76742846	-0.9999223	-0.28402326	0.8187281	-0.22401129	0.8421832	-0.41829342	-0.80420774	0.47660515	-0.97826254	0.05379795	0.38563165	-0.84435964	0.93586296	0.043245524	0.35945222	-0.8630483	-0.78145397	-0.52720207	-0.31518513	-0.491017	-0.8500981	-0.5305359	0.5489645	-0.37985313	0.77483284	0.7263228	-0.15800087	-0.18724544	-0.095724426	0.4997162	-0.44230857	0.12267288	-0.02166214	-0.7810899	-0.16224541	-0.97410417	0.8510776	0.53836864	0.3588611	0.2126797	-0.2560403	-0.56237555	0.6068088	0.011551462	0.50157773	-0.32741612	-0.38127205	-0.5640423	0.52795124	0.24339926	-0.92132235	0.043314252	-0.42492038	-0.77954453	-0.2900849	0.3176252	0.09070395	-0.9191329	0.7969175	-0.14993872	-0.37824818	-0.14967117	0.30837953	-0.40988642	-0.13073936	0.3875429	-0.067990534	-0.72891086	-0.023265	-0.9999575	0.006723472	-0.6201753	0.20271143	-0.55808425	-0.27160767	0.20703539	0.03195381	-0.4050805	-0.18448265	-0.36465958	0.29763514	-0.041836508	-0.6841585	0.2302098	0.97776437	-0.037420787	-0.61828846	0.34547254	-0.32083163	0.6530727	0.4248134	-0.57295424	0.7228047	0.4548964	-0.18165842	0.64382696	-0.60603696	-0.2964223	0.13729587	-0.5423661	0.8075702	0.046681475	0.6628684	-0.32506165	-0.8486563	-0.38271186	-0.5252502	0.10386599	-0.47339913	-0.80653304	-0.31823805	-0.4083306	0.4292186	0.26469055	-0.5209632	-0.6195838	0.53469765	-0.27703702	-0.11512234	0.434664	-0.66771734	-0.32046518	-0.28548077	-0.69287795	0.29287595	0.20532487	-0.56831557	-0.42557344	0.6553914	-0.45260668	-0.1590181	0.9994912	0.17563142	-0.052102342	-0.36950868	-0.638299	-0.26759678	-0.8189578	0.40303224	-0.12983672	-0.1910473	0.9951754	-0.04986956	0.26072356	-0.07878057	-0.050081618	0.12745269	0.74312913	-0.8289406	0.4007397	0.64758724	0.7943787	-0.5702781	0.35848418	0.44962958	0.8317166	0.9999931	-0.99603206	0.86942875	-0.4892624	-0.2891807	-0.25960398	0.31505007	-0.6292013	-0.7941181	-0.97893345	-0.96668446	-0.427798	-0.61584055	0.46477723	0.37368545	-0.1722407	-0.26567304	-0.7743913	0.51000494	0.82122433	0.001030586	0.2570629	-0.95090085	0.13945173	0.54445326	-0.37196022	0.5744113	-0.49060124	-0.506535	-0.09670179	0.25800872	-0.83477974	-0.32087624	0.52181995	-0.124579854	-0.104874685	0.4581237	0.40729672	0.011709179	0.62054265	0.65220225	0.34030434	0.6548358	0.2301486	0.54531884	-0.04332117	0.95076334	-0.34261775	-0.14209051	0.6138689	-0.0935143	0.04869873	-0.22223893	-0.8264915	-0.9082061	0.09614631	0.6832722	-0.6929676	0.37742674	0.5392477	-0.5440338	0.99924535	-0.5745886	-0.23665148	0.4287287	0.17352568	-0.021271955	0.6694779	-0.8755191	-0.355838	0.1592049	0.7074911	0.28431222	0.6110276	-0.54358417	-0.17440201	0.6078516	0.043916658	0.26663664	-0.99990916	0.37543646	0.19130328	0.16270813	0.10304167	-0.51271313	-0.50810176	-0.3990539	-0.47924814	0.41326177	-0.27174848	-0.47034943	-0.3178057	-0.28006202	-0.90406805	-0.03507087	-0.000803945	-0.14456818	-0.039995033	-0.37430722	0.17822407	0.24195495	-0.32756335	0.7599651	0.36759797	0.21179289	0.1499756	-0.284668	-0.42111513	0.11570056	-0.25215003	-0.07162985	-0.5948232	-0.081618495	-0.03724126	-0.03452599	-0.2111425	0.37920377	-0.19782272	0.005144982	0.103918195	0.9998603	0.21915951	-0.91091883	-0.16026996	0.99699736	-0.06895955	0.08528976	-0.9986236	0.6393162	-0.28300956	-0.35384426	-0.77428967	0.12544285	0.7499217	-0.28073946	-0.8236626	-0.5580775	0.43386343	0.2645926	0.25189593	0.4127181	-0.15482858	-0.99990135	0.9999997	-0.03775765	-0.40410528	-0.08711642	0.3809971	-0.47987866	-0.10898775	0.8646563	-0.24094948	-0.5247097	0.21955617	0.047223877	0.30569488	0.39154485	-0.36616018	-0.21627639	-0.23122306	-0.1654951	0.70708907	-0.99958366	-0.19353618	-0.22589119	0.07227023	0.8031954	-0.5567191	-0.9303336	-0.24039927	-0.39844045	0.22893615	0.15308923	0.6579328	0.53797126	0.23605137	0.6353971	0.6852993	0.40846846	0.27110705	0.3587685	0.3562862	0.45436233	0.026095819	-0.27626896	-0.7154755	-0.9815021	-0.016463686	0.08910345	0.32995617	-0.3763923	0.100446224	0.28865248	-0.97152317	-0.12351614	-0.17265399	0.09140618	0.99742556	0.46012422	-0.33699235	-0.6972261	0.46212214	0.5785875	0.99997234	0.21829776	-0.90181786	-0.19940278	-0.10998244	0.14012523	0.10159458	-0.9988795	0.3877465	0.1341231	0.43692037	0.78993165	-0.30661374
409	0	CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1	-0.79684585	-0.17946658	-0.08367757	0.5357994	-0.13611224	-0.7904157	-0.035796203	0.019410448	-0.40727013	-0.06435015	-0.49193713	-0.2920627	-0.20142266	-0.48963353	0.41560233	-0.39404318	-0.019438207	-0.2726302	-0.063270316	0.253254	0.502041	-0.5273955	0.47696772	0.030800458	0.42289403	0.6829236	0.38804504	0.27471069	-0.24274641	0.27016866	0.39257216	0.38306293	-0.027394984	-0.14995791	-0.029806346	-0.08362041	-0.24202493	0.5248259	0.84412783	-0.8819932	-0.9900052	-0.059107244	-0.54799336	0.25825864	0.3366736	-0.98865455	0.2568792	0.17759672	0.822496	0.24773414	0.5237907	0.0968504	-0.18799476	0.08117207	-0.6443962	0.58377194	-0.72190934	0.8417718	-0.1113562	0.5757387	0.33723128	-0.39099106	0.15143314	0.2325044	-0.08129473	0.4292171	0.17648423	0.16340913	0.057334483	-0.4298425	-0.79826903	-0.9836225	0.3195392	0.078495614	0.56207514	-0.0520207	-0.67139703	-0.41878885	0.40957877	-0.99879265	-0.34890616	-0.13246265	-0.8377299	0.34003463	-0.39648435	-0.22921067	0.17175028	-0.062153816	-0.58097494	-0.28170866	0.000740964	0.040873136	0.73613095	0.5001061	0.99348074	-0.4657995	-0.03596821	0.06911287	0.16669989	-0.40624237	0.45352605	-0.3657604	0.563575	0.6172948	0.22319613	-0.37419626	0.49112335	-0.009800666	-0.82887167	-0.31309715	-0.008904177	0.16949022	-0.21917571	-0.28628668	-0.090648934	-0.22745062	0.4269641	0.6194733	0.9993947	-0.3643646	0.3103363	-0.17119318	-0.29758543	-0.05331741	-0.3151076	-0.1649146	-0.09688952	-0.005324455	-0.33770877	0.998979	0.23364712	-0.03275404	-0.04622261	0.10780951	-0.106703125	-0.9623521	0.5952196	0.27842426	-0.67142767	-0.073941536	-0.993708	-0.0141433	0.9723746	0.077073045	-0.36761212	0.38622606	-0.03798978	-0.029429104	0.92953545	-0.6965351	0.3182362	0.71933603	-0.012289194	0.32419857	-0.55496866	0.124001995	-0.34029233	0.9957105	-0.28680614	0.30436146	-0.98339456	-0.38310146	0.07319479	0.442645	0.3743203	-0.2563036	-0.15982845	-0.22729442	-0.5704246	-0.033275947	-0.13194716	-0.49617395	0.41339412	0.4667436	-0.19512053	-0.93736625	-0.7550068	0.22923473	0.046991866	-0.015826982	0.6733802	-0.51675457	0.1887544	0.068306506	-0.81846	-0.62110007	0.39607412	0.54446477	0.4412312	-0.3680499	0.118931845	-0.097980104	0.41010964	-0.17768757	-0.25310346	-0.2512161	-0.05487783	-0.81794685	0.24008203	0.28990704	-0.5502268	-0.33825567	-0.583266	-0.57028157	0.3121914	-0.38496903	0.042767707	0.1734946	0.13602161	-0.99475265	-0.1317491	-0.2716848	0.008395221	-0.02151916	0.045915835	0.43728665	0.051337782	-0.27131912	-0.121109165	-0.054684795	0.35092226	-0.5564429	-0.43847567	-0.2140405	-0.90197337	-0.37980792	-0.21027434	0.20614634	-0.090571076	0.25630134	-0.1382431	0.12321186	-0.10023306	-0.3383887	0.40633273	-0.46379268	-0.3876895	-0.09054546	-0.40851918	-0.022795685	0.8035705	0.3449321	0.06653137	-0.6518045	0.47560728	-0.31753236	0.56722057	-0.3427937	-0.5447904	-0.43991417	0.7468317	-0.99858	0.22112371	-0.026634878	-0.16000842	0.39412794	-0.37685123	-0.39565918	0.14919938	-0.4744818	-0.24358985	-0.0635367	0.2559439	-0.408729	0.6080671	-0.31796515	0.04907123	0.36605996	0.31105015	-0.23528345	0.21842079	0.703659	0.45952207	0.44774267	-0.5360204	-0.5860769	0.38295266	-0.39630067	-0.60169584	-0.029397808	0.12102856	0.9996738	-0.121423215	-0.028264472	-0.41468474	-0.3737447	-0.3291626	0.07461337	0.03337935	-0.021864695	0.058544204	0.99925965	0.38295254	0.55948234	0.5277838	-0.008529638	0.9961748	-0.9291304	0.3546785	0.28615543	-0.46294716	-0.33877015	-0.10907918	-0.02348613	0.05064771	-0.12996782	0.9591758	0.3300392	0.5600872	0.24745938	-0.24403283	-0.40215245	-0.68796366	-0.19183038	0.7327473	-0.5786933	-0.19341892	-0.001435579	-0.9890724	0.33113134	-0.21186173	0.2182859	-0.018882677	-0.38899404	-0.19007003	0.21080382	0.039413754	-0.9401146	0.05610919	0.2985696	-0.66531277	-0.3339721	-0.06990889	-0.25290912	0.27924538	-0.21569294	-0.20477732	0.14143117	-0.3880009	0.5183213	0.30892587	-0.35755715	-0.21256037	0.49043927	-0.35977677	-0.014033208	-0.59384584	-0.26114082	-0.033750076	0.6198073	-0.99524164	0.30440587	0.26444674	-0.37855536	-0.21841215	-0.30809206	-0.17783374	0.99956185	-0.30405167	-0.6680387	-0.1957025	0.45976985	-0.17999716	0.10852566	-0.81850064	-0.8449272	0.34449935	-0.51701987	-0.46241432	-0.016359797	-0.09023117	0.3293359	-0.18843657	0.72708935	0.26312548	1	-0.12571436	-0.63594615	0.5795831	-0.22313227	-0.7698203	-0.17762895	-0.053296395	0.15476245	0.44565162	-0.3509336	0.1831873	0.15503924	-0.048441637	0.54431736	-0.31157863	0.45964664	0.035344973	0.093571365	0.6762415	-0.6092635	0.29495418	0.1244184	0.13487805	-0.16253954	-0.4508185	-0.67602324	0.20985648	0.105198525	0.04020366	-0.20877132	-0.450213	-0.18337205	-0.11517033	-0.17153402	0.08108352	0.070437446	0.27079478	-0.17713942	-0.07749086	0.4200277	0.99998194	-0.27300167	-0.9655105	0.4849829	0.99988127	-0.24543096	-0.6074896	-0.99921983	-0.36782715	-0.13713118	0.30502248	-0.6883245	-0.2895307	-0.4269394	0.01982504	0.3203999	-0.20996667	0.119326994	-0.09828374	-0.066357955	0.22835526	0.32851326	-0.9999901	-0.99920905	-0.97887653	0.056099847	0.32510093	-0.45492643	-0.20484819	-0.5469144	-0.8415868	-0.044655286	-0.015691042	0.5154369	-0.58927673	0.16623287	-0.061118938	0.079565145	0.15302469	-0.5169396	-0.08511774	-0.9470144	-0.9999593	-0.07757401	0.61989313	-0.21126604	0.15502137	0.05023485	-0.9680402	-0.16977242	0.47392735	0.3236389	0.28689542	-0.7167134	0.79846495	0.932535	0.22441265	0.90346104	-0.11442165	-0.13670158	-0.3936647	-0.35767722	-0.37975708	-0.14329024	-0.6131022	-0.29563767	0.12152175	-0.09256841	-0.11593231	0.024270961	-0.3264276	-0.6740715	0.49098703	0.66761875	-0.0189929	0.18041065	-0.054582328	0.18077897	-0.30621475	-0.054882444	-0.13817136	-0.6757519	0.7299417	0.99997205	0.06672584	0.5519503	0.32635105	0.51388454	-0.3063922	0.1099826	-0.6790851	0.33947888	-0.14740597	0.5029812	0.39191145	-0.14593716
410	1	CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21	0.6978851	-0.6410203	-0.124004416	0.37002468	0.5432821	0.738671	0.40305832	0.8175449	0.482681	-0.21392678	-0.06356743	0.01656855	-0.25270343	0.26926684	-0.000667315	-0.6366411	0.4506358	-0.35481596	-0.00941028	-0.19441241	-0.05384625	-0.41086125	0.6411852	0.101042874	-0.41911578	0.45890447	-0.41292596	-0.6924063	0.065879606	0.6328041	0.21575995	-0.15436973	0.79482853	-0.35097656	0.57357794	0.34622735	0.4650464	0.051469095	0.9996303	0.33439144	0.8510507	-0.38287172	-0.2811309	0.17869397	-0.31821868	0.87718505	0.7043761	-0.31429443	0.9839995	-0.37235373	0.55811346	0.46798584	-0.58451605	0.41343895	-0.32253364	0.09254661	0.61993766	-0.8794548	-0.15103255	0.6491482	-0.23481484	-0.15983704	-0.225619	-0.23862897	0.7138264	-0.38962576	-0.4086037	-0.37282377	0.6235183	0.21792425	-0.53226745	-0.4778337	-0.83617634	0.84728384	-0.004919014	0.87280333	-0.18804994	-0.29275006	0.09856211	-0.9990538	-0.30975914	0.24912019	-0.82288796	-0.5372239	-0.025331492	-0.86204714	0.29603687	-0.7291148	-0.3358544	-0.056676146	-0.22462462	0.39654726	0.532354	-0.13900784	0.9987369	-0.404998	0.57075447	0.65418094	0.13115537	-0.059857152	0.31822872	0.50047857	-0.49398383	0.90248746	-0.9998373	-0.20489334	0.5955976	0.26138085	-0.8259826	-0.46098223	-0.52533996	-0.16380547	0.38532168	-0.620563	-0.11714639	0.4624475	0.22320074	-0.090657875	0.6039435	-0.17492427	-0.045608327	-0.28869253	-0.35342717	0.2283619	0.32563874	-0.5295357	0.5922229	-0.68348825	0.25096294	0.99933326	-0.3693495	-0.32089344	-0.3690092	0.8670153	-0.15378553	-0.9717339	0.25979745	-0.017476419	0.38156393	-0.47414207	-0.99997264	0.25012428	-0.083380334	0.2556975	-0.320089	-0.39648658	0.040984068	0.37881106	-0.99954283	-0.24821249	0.091825835	-0.9105733	0.8164562	0.42238984	-0.43005055	0.001675023	-0.42726326	-0.98867553	-0.6439327	-0.64829993	0.24924289	-0.58856755	-0.811863	-0.36340138	-0.1060747	-0.3330786	0.04651607	-0.8694171	0.02931253	0.0539608	-0.421183	-0.6604171	0.20772205	-0.2197281	0.015609914	-0.8584295	0.610111	-0.21015961	-0.110559374	0.2481672	0.29273167	-0.9692258	0.24815987	0.48327214	0.9550957	-0.3190661	-0.18669531	0.31653872	0.11887659	0.52400446	-0.88655645	-0.6200453	-0.11459882	-0.42611432	-0.11450937	-0.66871464	0.06933976	-0.78117496	0.024632387	-0.66173106	0.3191617	0.118911885	0.7726264	-0.5716144	0.38865995	-0.53479797	0.271397	-0.3597486	-0.53410304	-0.9999527	0.6522479	0.21291299	0.5497915	-0.18335207	-0.07697771	0.2893741	0.009386177	0.6795442	-0.3317986	-0.25013426	0.18399449	0.43044055	-0.57729685	-0.3157084	0.8757727	0.20935194	-0.20580637	-0.6053742	0.38717607	0.5595709	0.2331824	-0.12331738	-0.31941274	0.34520257	0.28464612	0.058946665	0.47812784	-0.43446222	-0.07870898	-0.27354017	0.9148924	0.9335425	0.40520993	0.46665424	-0.92535245	-0.22660089	-0.26197028	0.4020809	-0.00753015	0.19170567	-0.27426785	-0.8230074	0.07004999	0.797716	-0.49153972	0.13104928	-0.3347483	0.2522283	0.3232393	0.7679552	-0.056434695	-0.59491014	-0.7075184	-0.14352852	-0.038430996	-0.49285123	-0.257832	0.823791	0.5870556	0.43897548	-0.59783274	0.99994683	0.4918429	-0.32662225	-0.20142692	-0.77427197	0.61307496	-0.61542165	0.19087908	0.22460023	0.8204441	0.9024083	0.63610107	0.5128503	-0.084814884	0.52619654	0.13167255	0.875617	-0.8455162	0.2881191	-0.09734755	-0.6103718	-0.42517287	0.20121063	0.07223287	0.8239182	0.9999957	-0.9875364	0.5089156	0.23982978	-0.30745062	0.11361053	0.21404564	-0.21972026	-0.64920056	-0.93098176	-0.99945337	-0.091695204	0.017874278	0.48384994	-0.117246404	-0.010502102	0.35928035	-0.22901528	-0.2838213	0.07756293	-0.45463884	0.308211	-0.94062066	0.4636461	0.3055447	0.041213688	0.83359945	-0.5544769	0.13401298	0.7877511	-0.31549963	-0.6171737	-0.35920092	0.061560784	0.051284302	-0.63648957	0.5496261	-0.012002144	-0.71023667	0.7510084	0.5391304	-0.15016907	-0.09117941	0.026590006	-0.001477753	-0.09281281	0.8051347	-0.2436166	-0.3041632	0.6545247	0.23594067	0.28088325	0.18860517	-0.9759821	0.041376468	0.20788836	0.41760966	-0.4274858	-0.09096388	0.31641597	0.6326754	0.9997147	-0.060755227	0.59178245	0.2902015	0.51836514	-0.090875015	0.21977504	-0.8480733	-0.4980204	0.3138519	0.8076691	-0.097693264	0.66446716	0.10396133	0.59132665	-0.34057677	-0.7876835	0.70421815	-0.9418479	0.58827084	-0.2811772	0.17677476	0.06573383	-0.083731584	0.23011337	0.4063741	-0.4481459	0.43204403	0.094965234	0.085688874	-0.42209658	0.528968	-0.8137594	0.13272505	0.52746415	-0.46825588	0.015616835	0.15375401	-0.80586326	-0.6202629	-0.44023338	-0.3643236	0.2702795	0.9302974	-0.07938154	-0.58252573	0.25879472	-0.3073043	0.31684706	0.24557394	-0.4569858	-0.7857201	0.06538522	-0.47458264	-0.4658093	0.15917031	0.018432025	0.037835494	-0.46565178	0.99949706	-0.21268366	-0.95310646	-0.4254048	0.9980299	0.31098607	0.50412893	-0.9986514	0.313532	-0.8170657	-0.64377564	-0.41610545	-0.32017538	-0.27491	0.8169109	-0.780342	0.8023152	-0.7004841	0.5646123	-0.3301434	0.45956334	0.89122146	-0.99942696	0.99998856	0.8561669	-0.6072619	0.3161971	0.66572624	-0.26227403	0.44403747	0.94048613	0.015369133	-0.28836113	-0.29115194	-0.29710728	-0.440939	0.3235502	0.27694935	-0.4407621	-0.023568466	0.29052436	0.98471886	-0.9949537	-0.2136677	-0.3135263	-0.5429587	0.23635675	-0.05472001	-0.29420128	0.7190835	0.09730847	-0.23457024	-0.110702164	0.5655442	0.22722343	0.08630515	0.33354542	0.07862563	0.09836005	0.12860005	-0.00386248	0.5513139	-0.3325595	-0.14186901	0.08336374	0.14907466	-0.99975896	-0.111547686	-0.04015436	-0.19034289	-0.17012598	-0.3815254	-0.46084	-0.88679224	-0.55788016	-0.53636384	-0.6916867	0.99982554	0.46914855	-0.63349	0.21727584	-0.016302114	-0.5385685	0.9999747	-0.20120545	0.09600583	-0.39036462	0.68264234	-0.46555543	-0.62222564	-0.99985045	0.113620356	0.8092097	-0.20111465	0.6105436	-0.7901425
411	0	Cc1cc(Cl)ccc1OCC(=O)O	-0.72523916	-0.13577381	-0.6637904	0.11802908	-0.1783178	-0.114989854	0.31092745	-0.1765	0.05883109	0.16484106	-0.29009062	0.007693407	0.5825085	-0.3716297	-0.35532293	-0.1402702	-0.2838979	0.22461571	-0.095810115	-0.04919638	0.5515968	-0.8156553	-0.102529354	0.2649478	0.40025637	-0.038811013	-0.18965778	0.031447068	-0.13747478	0.48318785	-0.39541775	0.38801178	-0.13077591	-0.48826715	0.085386105	-0.528426	-0.037976943	0.5118451	0.26901934	-0.83740073	-0.9988521	-0.7903675	0.07159505	-0.08788033	0.23210433	-0.9935696	-0.16642593	0.09793839	0.8156463	-0.7637924	0.021797126	0.029620755	-0.5773225	-0.14269818	-0.6457572	-0.31496564	0.061839953	0.9417644	0.32588667	0.029316697	-0.11204054	0.20231354	0.6286419	-0.36676082	0.064679004	0.619052	0.21920963	0.11727494	0.2227309	0.5436698	-0.621199	-0.9936455	-0.14244424	0.28757966	-0.018841296	0.7337053	-0.12087921	-0.041777223	0.019887416	-0.99986327	-0.42693603	-0.17804012	-0.8752834	-0.78049207	0.8215271	0.2181063	0.509007	0.705971	-0.4060946	0.052397374	0.21352236	0.21750216	-0.32043558	0.06799248	0.9959156	-0.5404583	0.014025441	0.40041575	0.6430317	0.11689434	0.35068265	-0.16390252	-0.6856802	0.015286054	0.89954376	-0.38502395	0.09933242	0.13852344	-0.9510746	-0.010949661	0.2417105	-0.5531726	0.05943427	-0.34833866	0.30117604	0.5578854	0.6315049	0.49539438	0.99920654	-0.04248167	-0.19791092	-0.19357482	-0.23712492	-0.13812463	-0.38686186	-0.1676029	0.26659468	0.12196624	-0.4659185	0.9978332	-0.33614454	-0.6036506	0.019495085	0.03446374	0.32568434	-0.7873635	-0.26427695	-0.68461305	-0.36491534	0.1771223	-0.99777824	0.17442031	0.97069025	0.15008998	0.2974039	0.40382212	-0.3693464	-0.2519539	0.9918279	0.63398075	0.16393605	-0.52312607	-0.20734787	0.10386954	-0.56240696	-0.21146837	-0.10625818	0.9985589	-0.4456627	-0.8748289	-0.98853314	-0.21235588	0.4329157	0.38912264	0.061642017	0.23412411	0.3500518	0.4905168	0.063464105	0.15707752	-0.6215706	-0.395226	-0.15928294	-0.47414818	0.5476064	-0.98273957	-0.6110939	0.27689138	-0.38883868	-0.3104286	0.33891532	-0.92244446	0.5667331	0.4883047	-0.8943084	0.10870424	0.00208572	-0.48570657	0.48917103	0.001468171	0.046759978	0.14607489	-0.31099474	0.003392207	0.42463693	0.14811218	0.2718191	-0.4744098	-0.4060305	0.5041579	0.49459073	0.42808673	-0.5643519	-0.26553842	0.5957421	0.6106988	0.60306937	0.06271729	-0.3561828	-0.98966193	-0.11297732	0.4791306	-0.30171672	-0.2887269	0.28848103	0.03540934	-0.27470562	0.70848465	0.10991532	0.25158003	-0.23620752	-0.4073416	-0.4403823	-0.29877946	0.9984416	-0.25561067	-0.22204055	0.4922837	0.60398144	-0.004964607	-0.049916018	-0.15004203	-0.03062049	-0.33693802	0.102906846	-0.55594397	0.3235304	-0.23072392	0.0952434	-0.56803215	0.9208724	0.3309827	-0.3839994	-0.45387402	0.7664098	-0.27564508	-0.004090621	0.5192524	-0.52594	0.006292317	0.1984488	-0.9988602	-0.37532958	0.23173256	0.62315184	-0.13828218	0.55338025	0.069049805	-0.08600187	-0.028764673	-0.09260951	0.7418634	0.006268177	-0.03970296	0.15970738	0.32358414	-0.41845137	-0.0626576	0.6468736	-0.07670873	0.34565967	-0.809242	0.10142817	0.3112511	0.6385004	0.41427037	0.45684066	-0.6438076	-0.5587349	0.44665024	-0.13546672	0.9994544	0.024971373	0.627224	-0.12271713	0.6371493	-0.12899119	-0.52819794	0.15274353	0.43932703	0.06912277	0.9994161	-0.034810916	0.64961326	-0.14463693	0.18960331	0.99810725	-0.82721007	0.6078498	0.1167316	-0.14734519	-0.06223265	-0.47323367	0.1281587	-0.0740102	-0.61302537	0.9928158	0.3787355	0.16019373	0.021163482	0.5468016	-0.28321293	-0.22122051	-0.40532047	-0.017540114	-0.41015455	0.026118727	-0.13563497	-0.9797913	-0.5683616	0.027162705	0.5417555	0.3904556	-0.35209998	-0.1013572	0.24105217	0.409355	-0.96267074	0.15821885	0.18568757	0.36327288	-0.06300907	0.22150017	0.41610944	0.4073865	-0.52780217	0.387641	0.38171124	-0.2769893	0.026236549	0.62418854	-0.41952044	-0.2935602	0.44747975	0.17313431	0.59745634	0.22465976	-0.027189896	0.18266696	0.8989566	-0.99639094	0.390551	-0.6487158	-0.45725307	-0.2872165	0.31376466	-0.10763444	0.9980463	-0.51326245	-0.4075228	-0.47141019	0.036340635	0.31917635	0.197576	-0.34497193	0.18553309	0.071746014	-0.35503444	0.007658194	-0.031156974	0.30258235	0.014766965	0.012010818	0.8535316	0.12965816	1	-0.3138849	-0.5890919	0.00680725	-0.5723637	-0.74779904	-0.6224691	0.41687644	-0.1007291	-0.13766196	-0.43604672	-0.015797485	0.15392391	-0.06379929	0.6221404	0.107328564	0.5516277	-0.26356217	0.45824242	0.26822296	-0.17190313	0.244203	0.37674144	0.20349808	0.51795757	-0.743979	0.44483545	-0.026305318	-0.29442847	0.117532395	-0.3086715	-0.36989793	-0.30580446	-0.44151837	0.15871209	0.28228578	0.55740243	0.11523561	-0.37415147	0.5778139	-0.1004605	0.9999819	0.5638605	-0.9942069	0.27808708	0.9995707	-0.40070873	0.5576551	-0.9975075	-0.46598476	0.029162189	-0.38929915	0.27893996	-0.2702322	0.014169266	0.001665166	0.6789134	0.40635774	-0.21733034	-0.26048884	-0.43301377	0.40616396	0.30336663	-0.99992496	-0.99969316	-0.9922885	0.049382232	0.047539484	0.1976165	-0.35371247	-0.39030948	-0.66980225	0.006015867	-0.07347565	-0.059731312	-0.6994915	0.2342701	0.28465375	0.028490605	-0.25135776	-0.2776771	0.24417494	-0.98383087	-0.9999095	0.23586905	-0.06303916	-0.46032143	0.3650493	-0.18486258	-0.9441644	0.5430659	-0.37332502	-0.18134825	-0.036811516	-0.12104247	-0.64123714	0.96614504	0.29982388	0.96686023	-0.2265762	-0.21753861	0.11046703	-0.7416719	0.14963005	0.220381	0.46735376	0.42036358	0.9450738	-0.14598142	-0.42519483	0.18157017	0.22409713	-0.13040832	-0.2554389	0.5467633	-0.5319064	0.32305127	0.22545624	-0.71649194	-0.3234337	-0.19943878	0.08283693	-0.1614606	-0.12834756	0.9999271	0.71446365	-0.6108491	-0.19780791	-0.5003596	0.6610405	-0.04251641	0.008763654	-0.059942417	0.74865484	0.5147407	0.8539829	-0.057935223
412	0	CCCCC(CC)COC(=O)c1ccccc1C(=O)O	0.5607926	0.3312411	-0.55312365	0.050058287	-0.454701	-0.17754562	-0.32341188	-0.048134357	0.47419176	-0.0288401	-0.3398731	-0.053955346	0.43717307	-0.6647522	-0.8129222	0.14451484	0.33301073	0.009322563	0.4313789	-0.29041943	0.2556065	-0.5070719	0.12329597	-0.22141019	0.029370748	-0.045051787	0.055874683	-0.4719198	0.033112936	-0.003585086	0.34195766	-0.3613899	0.1995083	-0.45158395	0.5409427	-0.7209627	-0.16825773	0.36841458	0.9908482	-0.12559299	-0.9927541	-0.67555386	-0.25176665	0.41216734	-0.6308664	-0.8842252	-0.5305018	-0.51329947	0.91666126	0.2747312	0.13295333	0.32661083	-0.19742355	0.195746	-0.6857181	0.28946733	0.28905177	0.49975976	0.34859988	-0.16203503	0.3241617	0.3869867	0.49422985	-0.103311025	-0.3371967	0.46277705	-0.43312562	0.13012645	0.5011626	-0.6641856	-0.5191612	-0.8359383	-0.08590641	0.16584575	0.28592983	0.2851723	-0.6330752	0.29683924	-0.45949724	-0.9999409	-0.36439633	0.042275753	-0.9086723	0.17757103	0.73485875	-0.84230965	-0.04817851	-0.27439973	-0.25423354	0.61411834	0.00094473	-0.028713297	-0.31504318	0.26059157	0.99936265	-0.33915347	0.17358299	-0.3117749	-0.71591425	-0.03002749	0.22796264	0.6410906	-0.07027545	0.72711784	-0.82029176	-0.38867363	-0.14467528	0.180706	-0.9447915	-0.027355924	0.7671024	-0.23106585	-0.16950637	-0.394374	0.18996006	0.44872925	-0.012808338	0.72185135	0.99557066	-0.18668158	0.07469755	-0.27107245	-0.52299184	0.11088443	-0.7742571	0.029960932	0.22930057	0.63043797	0.7877188	0.9998559	0.508344	0.19670683	-0.25653693	0.00174425	-0.71957946	-0.8796419	-0.25056332	-0.033470683	-0.6671914	-0.10838906	-0.9888624	0.134231	0.79707074	0.3483187	-0.123593405	-0.1781079	0.27418607	-0.08393882	0.4068357	0.011588672	-0.7336855	-0.7170009	0.2742215	0.16120398	-0.6443211	0.58675015	0.034710504	0.9247308	-0.7438684	-0.76581174	-0.9019693	-0.28962964	0.10807331	0.1963584	0.67835355	-0.021953944	0.22334644	-0.1128039	0.18902063	0.6996964	0.5728084	0.07648587	0.15800032	-0.67755675	0.56743455	-0.97817665	-0.581094	-0.24328044	-0.085204825	0.19633442	0.5448204	-0.98362887	0.10368249	-0.21569636	-0.58152956	0.12353989	-0.18491527	0.04956087	-0.62808275	-0.20736516	-0.7058032	-0.3097807	0.24907424	0.45121187	0.21579939	0.66547936	0.09489525	-0.59545976	-0.004412773	0.75202423	0.77834314	-0.24220793	0.50705093	-0.002609005	0.28315702	-0.46565646	0.39289021	-0.30048037	-0.5739708	-0.99974436	0.6198775	0.4201062	0.3535224	-0.5588201	0.6174881	-0.118706346	-0.7078396	-0.44049907	0.3947981	-0.06488572	0.4596883	-0.20930521	-0.5092145	-0.5464711	0.9777852	0.3064551	0.1448333	0.039317314	0.20923257	-0.4540453	0.13240841	0.39718845	0.4960643	-0.003396513	-0.026915004	-0.000713617	-0.58663076	-0.49984267	-0.17125276	-0.36906952	0.89486104	0.3227689	0.3552459	0.119105496	-0.31021047	-0.46206656	-0.550368	-0.110155635	-0.56569165	0.5012043	0.53441215	-0.9981042	-0.80473775	0.7829356	-0.3741948	-0.53660613	0.2600003	-0.091949925	-0.18561855	0.078156896	0.08942456	-0.005267571	-0.39425692	-0.3980924	-0.11645738	0.7705962	0.016954236	-0.34265083	0.68244714	-0.666774	0.40859002	0.086883396	-0.37402356	-0.27261022	0.010975873	-0.4741902	0.25037038	-0.42435014	-0.21554337	0.7636035	0.3379339	0.9988872	-0.39877722	-0.4095257	-0.3275608	0.42151847	0.029777365	0.10712319	0.26199678	0.3797922	0.5792308	0.99007046	-0.4456041	0.5542303	-0.7386002	-0.62267274	0.9961947	-0.97496766	0.18347444	0.08406453	-0.6681638	0.4342677	-0.62607133	0.22280277	-0.75173247	-0.761234	-0.2944976	0.4802531	0.58549374	0.5069942	-0.47512543	0.10937325	-0.16156016	-0.3186966	-0.54104996	-0.5273941	-0.087649226	-0.52253306	-0.9655478	-0.71001345	-0.084930316	0.7408886	-0.012426158	-0.91575223	-0.1861459	-0.33445975	0.13973421	-0.98233294	0.10658421	-0.34800634	0.27148077	0.20976877	-0.25025228	0.25072	-0.40951183	0.52501774	0.3807683	-0.26108733	0.74472857	0.2194992	-0.5170654	0.49030292	0.4051738	0.6694011	-0.07969651	0.19255665	0.104517505	0.4602948	0.14209701	-0.071389124	-0.98678535	0.698573	0.09525886	0.4502831	0.4865665	-0.27313787	0.19861808	0.9998277	0.022521397	0.043270156	-0.11967692	-0.27461067	-0.007955294	0.028554443	-0.7270736	0.012442317	-0.3283029	-0.4642174	0.38872063	-0.582691	-0.5521279	-0.51229465	-0.47889408	0.6002748	-0.2591144	1	-0.40941826	0.41400135	-0.42184514	-0.27305725	-0.26102224	-0.59588456	0.5296531	0.42547747	0.3500216	-0.17020424	-0.12963654	0.7257892	-0.20615056	0.2645265	0.26157582	-0.562581	-0.047540843	0.32626292	0.63307756	-0.90101475	0.21885733	-0.6313515	-0.7170107	0.2734046	0.5447871	0.48394492	-0.004530781	0.012494483	0.4952161	-0.52102786	-0.62379473	0.15870251	-0.5257669	-0.12543222	-0.31355494	-0.13405351	-0.13537805	-0.7187957	0.50401706	-0.39571455	0.9999504	0.12055147	-0.96473414	-0.1659028	0.9998234	-0.50759405	-0.4275068	-0.9986265	-0.052033667	-0.6063743	0.461458	-0.47340977	0.8323009	0.44320145	0.4605251	-0.53125054	0.105248466	0.50142515	0.001950354	0.07438092	0.120588146	-0.09358953	-0.9999198	-0.99854857	-0.8461125	0.581136	0.001068466	0.4977029	0.43140993	-0.7302783	0.3063378	-0.42020404	-0.099442385	0.09322706	-0.78799844	-0.03418689	-0.55848926	0.31998473	0.18353005	-0.5265264	-0.187407	-0.26903278	-0.99983835	-0.17284866	-0.5139816	-0.2777141	0.41960374	-0.5887982	-0.85620725	0.44113442	-0.18814027	-0.53286517	-0.75087196	0.31359205	0.5101842	0.9455531	0.24126633	-0.23721017	0.6728361	-0.46119052	-0.24651976	-0.5214148	-0.08428941	-0.27014694	-0.32755694	0.20336093	0.3374451	0.14830868	0.23023666	0.18788083	0.27902618	0.2511054	-0.11228143	0.22031163	-0.047462974	0.27512172	-0.6957391	0.9559532	0.040412858	-0.17253308	0.008322847	0.52361596	-0.24354951	0.9999869	0.65933967	-0.48619542	0.17710015	-0.14596237	0.0931663	-0.31254	-0.9647066	-0.376589	0.49050424	-0.12478273	0.41397813	-0.3744648
413	0	CCCCc1ccc2c(n1)C(c1ccc(OC)cc1CC(C)C(=O)[O-])C(C(=O)[O-])C2c1ccc2c(c1)OCO2	-0.10894292	0.090500556	-0.42389303	-0.26994574	0.17809655	0.67028016	0.65787274	-0.24159311	0.5571153	0.007768559	0.30257902	-0.30134726	0.28570583	-0.4070433	0.027921328	-0.23660423	-0.45922053	0.27581683	0.74409807	-0.18740207	-0.052053735	0.76112187	0.7222998	0.2798942	0.24240285	-0.29739815	0.5016863	0.025549926	-0.51089925	0.20639361	-0.021554906	-0.88876534	0.15068382	0.35680646	0.41711125	-0.7989234	-0.009843906	0.4928664	0.9997319	0.43163326	0.8371424	-0.4800016	-0.50696695	-0.28175512	0.0198971	0.9976069	0.45130992	0.76421905	0.74238235	0.4148296	0.44501835	0.90073335	0.35600975	0.6935585	0.15996525	-0.82876354	0.09542033	-0.9962131	0.047822986	-0.6337586	-0.77073044	0.12243333	-0.7217205	-0.40074113	-0.10036554	0.2059716	-0.74047774	-0.66050583	0.74677294	-0.3697927	-0.919253	-0.79538846	0.5810998	-0.016355412	-0.50761503	0.6165339	0.3459521	0.01853098	0.40205333	-0.9999495	0.8259912	-0.48738423	-0.99111944	-0.22072892	-0.55788314	-0.80625296	0.78875244	-0.12247019	-0.31901586	-0.7636325	0.5714422	-0.41468447	0.53057253	0.7130947	0.9991333	-0.3951016	0.26546428	-0.8543153	-0.52159244	-0.090695314	0.5629792	0.19049683	0.43600255	0.42014033	-0.9999633	-0.7582681	0.028911823	-0.14115497	0.9651071	-0.4511092	0.3766819	-0.6534539	-0.76823467	-0.38899213	-0.34997603	0.28472003	0.30184424	0.04968561	-0.9045793	-0.093238406	-0.039990388	0.6667397	0.577557	0.12706433	0.46556526	0.15534408	0.464788	0.60800225	0.18673967	0.9986708	-0.75497293	-0.13602254	0.26179856	0.4912159	0.41982847	-0.9829942	-0.53779924	-0.7062807	-0.028183248	-0.48651615	-0.99999964	-0.088115714	-0.9342267	0.64641154	-0.21751322	0.55252874	0.7029529	-0.5976745	-0.9999768	0.76067865	0.2868865	-0.685524	0.1643885	-0.38724855	0.15219618	0.37980875	-0.39884135	-0.9998412	-0.80661833	-0.9752587	0.9602461	0.3835591	-0.40410125	0.35902843	0.011773959	-0.03820853	-0.7226587	0.004471279	0.076497026	0.32021272	0.2383141	0.5415727	-0.45532027	-0.1743089	0.17917125	-0.5526574	0.022479804	-0.73256123	0.08213059	-0.5778893	-0.5108827	-0.9993845	0.6733341	-0.011477117	0.9867875	-0.2526905	0.33870453	0.008098504	0.38153192	-0.3188218	-0.3206225	-0.51856166	-0.13712351	0.59229434	-0.30246332	-0.11945506	0.37470216	-0.33497578	-0.32132903	-0.4180747	-0.5043091	-0.32712227	0.5968796	-0.26150468	-0.1985389	-0.14580476	0.33869877	0.15174125	0.5922821	-0.99951863	0.021586472	-0.80292386	0.3823454	-0.45047268	0.58921385	0.5787429	0.19760391	-0.18053183	0.5854318	-0.6974747	0.60484195	0.50576663	0.03225843	-0.6979335	-0.9667993	-0.41592985	-0.028290305	-0.3392231	0.1313447	-0.11333806	0.21080633	-0.58470285	0.27991313	0.4074125	-0.59731275	-0.7675722	0.002462701	-0.4691448	-0.023016673	0.058750167	-0.6762373	0.04106652	0.53509724	0.6461563	0.3173935	0.579739	-0.49797356	0.48887104	-0.34327695	0.27585134	0.40224028	0.39766833	-0.74075323	-0.39188576	0.4986133	-0.69954306	0.461049	-0.3730591	0.42993864	0.41177252	0.51285046	0.11557577	-0.59632903	0.6342304	-0.4725796	0.58442223	-0.7343028	0.13434532	0.9950289	0.5857202	-0.020544741	0.9999558	0.48409012	-0.510694	0.4034547	-0.49672443	-0.6774962	-0.73705065	0.25332084	-0.004968818	0.12455079	-0.80084586	0.7107515	-0.27621466	0.06408106	0.77779615	0.15826216	0.8758099	0.801056	0.09670073	-0.03458132	-0.9981839	-0.6570638	0.80253124	0.87442505	-0.04133025	1	-0.8971066	-0.4711091	-0.5410361	-0.13191557	-0.32875377	-0.39369896	0.3249389	0.081268795	-0.37043867	-0.99996924	-0.019047303	0.7713757	0.09838025	-0.59539664	-0.21266717	0.6551574	0.7970571	-0.9518722	0.64762604	-0.55571854	0.5029862	-0.9996773	-0.53309435	-0.13377374	-0.74668455	-0.47068593	-0.65503263	0.29165763	-0.12306215	-0.3757212	0.50160307	0.13449353	-0.15929922	0.50918025	0.6121706	-0.5978584	-0.013455099	0.49369738	0.090851836	-0.40112957	-0.04906618	0.20603292	-0.6545321	0.008442126	0.83939654	0.41063574	-0.45429325	-0.02508309	0.35853887	-0.38059172	0.14822453	0.12105608	-0.9972465	0.9845051	0.8448512	0.15939343	0.5841505	-0.7090123	-0.64968145	0.4884374	0.9993309	0.6956225	0.4274797	0.34179297	0.32165676	-0.2886652	0.6566786	-0.8599838	0.13329451	-0.5205711	-0.09234491	0.049569305	0.38880408	0.6318466	-0.5959232	-0.10097923	-0.9615221	0.5639095	-1	-0.45249778	0.07102336	0.14468214	0.94076794	0.50347567	0.79676485	-0.57396185	-0.51955557	0.03902709	0.31382525	-0.27226678	-0.6718663	-0.1417891	-0.4101816	0.01780331	-0.47202134	-0.021028886	0.1383687	-0.33980685	0.35990533	-0.22142455	-0.65888256	0.47539026	0.52801263	0.9974106	0.06876278	0.7120954	-0.4585946	-0.33320475	-0.63413054	-0.403753	0.9024963	-0.3191676	0.23113468	-0.51075125	-0.2506002	0.79263204	-0.29299682	0.3380109	-0.24298179	0.99999803	0.24993521	-0.9665894	0.28528357	0.99375904	-0.4448295	0.09764931	-0.99994344	-0.008147674	-0.81025636	0.48179528	0.39396432	-0.14972992	0.21430512	-0.06776914	-0.2069579	-0.18185836	-0.12642409	-0.4890528	0.22165683	-0.2962748	0.41468555	-0.97071207	1	0.9881719	0.24954763	-0.5220706	0.6646018	0.4845651	0.8958694	-0.023833096	-0.584696	-0.029600328	-0.6135527	-0.084648356	0.075365305	0.18482907	-0.25219637	-0.40666324	-0.27456424	-0.061700013	0.9992478	-0.46341115	-0.36098585	-0.1529273	-0.23467702	-0.012676029	-0.007228501	0.94850343	0.48654437	0.05733194	-0.4906961	0.60239816	0.26612207	-0.7892885	0.9881104	-0.45684242	-0.5075205	0.14698732	0.10523812	0.053327274	0.7837984	0.40787545	-0.040001087	0.32742357	0.6546146	-0.9921779	0.82688016	-0.73483443	-0.5705405	0.45674118	-0.40158585	0.45175755	0.1840889	-0.47310588	-0.66350895	-0.06297178	0.9997819	-0.49450856	-0.60935915	0.3220965	0.56095624	-0.4252134	0.9990452	-0.25180638	-0.06569984	0.05501379	-0.34901416	-0.16750064	-0.3123724	-0.9993297	-0.75932443	0.7494822	-0.18187588	0.8046738	0.37652072
414	1	CCn1nc(Cc2ccccc2)cc1C1CCN(CC2CC(N(C)C(C(=O)O)C(C)C)CC2c2cccc(F)c2)CC1	-0.87128115	-0.04430007	-0.36334395	-0.26506567	-0.6118138	0.03052705	0.50177467	-0.21590583	0.11174068	0.121237375	-0.692945	0.007413132	-0.27723464	-0.33504254	-0.09500038	-0.321051	-0.86325705	0.24149191	-0.1258086	0.4309066	-0.60520554	0.78466046	0.2098749	-0.096453324	-0.069450095	0.014231065	0.79362804	0.46708998	0.21038917	0.63370544	-0.06543142	-0.5508229	0.47888666	-0.65063167	-0.5530821	0.5238273	-0.46688414	-0.15632316	0.9997315	-0.05298084	0.9027557	0.2234373	-0.33675507	-0.40354866	-0.6358055	0.9984995	0.19822799	0.52029234	0.04040218	-0.10894858	-0.41285884	0.3468407	-0.5411602	0.6195192	-0.026750885	0.31986716	-0.20671445	-0.99580115	-0.68855226	-0.48858246	0.27117622	-0.42561486	0.675387	-0.44217122	0.584909	0.19187957	-0.76159173	0.354484	-0.7311488	0.56388766	-0.99019337	0.93306214	0.38003644	0.28962106	0.78342766	-0.10302592	0.058660753	-0.30026403	0.20371512	-0.9915302	0.1427074	0.39738977	-0.9892716	-0.516942	0.34191784	-0.99616426	-0.21243432	0.13553417	-0.41864046	0.16911542	0.6054514	0.02625771	-0.6534845	-0.40627202	0.9816277	-0.47759685	0.7955148	-0.38467455	-0.68902755	-0.13089164	0.07200805	0.75569963	-0.09037728	0.98475623	-0.99997437	0.3170503	-0.66431344	0.6957731	-0.95837325	-0.85705674	-0.53451735	-0.7000145	0.71809	-0.65209407	0.5037116	0.3289618	0.06589978	-0.25231856	-0.9930652	0.7129133	0.31444418	0.52518123	0.36738366	0.24809875	-0.14225015	0.43726897	-0.60602254	0.30891913	-0.2600646	0.99998325	-0.38849646	0.19469902	-0.15414035	-0.24769175	0.031028746	-0.98371345	-0.24730971	0.18645304	-0.053199258	-0.55782837	-1	0.5570687	-0.4418095	0.06358979	-0.30964208	0.053448	-0.13198043	-0.34284917	-0.99999124	0.41333193	-0.012919465	-0.568108	0.623844	0.5381706	0.45716932	-0.12450592	-0.3200924	-0.99995565	-0.6626824	-0.7826857	0.993061	-0.31430104	-0.37723613	-0.56833535	0.0582111	-0.51793885	0.41032547	-0.5412199	-0.46909842	-0.18214701	-0.0850695	-0.24431814	0.79248303	-0.0909717	-0.11576759	-0.8248451	0.5894023	0.5606544	-0.58587635	-0.8084953	0.16950376	-0.47565544	-0.5974876	-0.07059339	0.9866404	-0.26311353	0.4630315	-0.5496324	-0.17601185	-0.043848816	-0.80808294	0.48492134	0.7188794	0.26672128	-0.108492136	0.72078323	0.52582216	-0.8509015	0.36462677	0.6091944	0.30492032	-0.74528944	0.052639883	0.27040604	0.6752327	0.1886458	0.05160945	-0.690592	-0.56956834	-0.99984175	0.51857734	-0.04074308	0.52006567	0.35024595	0.39399946	0.18758208	-0.2574956	-0.26824552	0.11654503	-0.5748433	-0.1044794	0.28552592	-0.4949356	-0.47985217	0.9831926	-0.036708552	0.38846922	-0.6613881	-0.15043277	-0.53936106	0.079203695	0.5664631	0.67501915	0.49584788	-0.2214642	-0.7060473	-0.49209884	0.33260894	-0.085004635	0.2599057	0.9336198	0.2676679	-0.60790366	0.7379332	-0.5424294	-0.3697051	0.09485797	-0.23989834	-0.24910949	-0.012483293	-0.42595747	0.34555793	-0.60592234	0.12752876	0.07868987	0.68406886	-0.23918888	0.41914463	0.23175883	-0.30348346	0.24560659	0.3344865	-0.18894285	-0.4743783	0.4286024	-0.6496189	0.016704235	-0.32633072	0.88473237	0.4465718	-0.27669156	0.999936	-0.21857572	0.2532059	0.87776613	-0.6586195	0.19677855	-0.8421452	-0.78422207	-0.10650922	-0.092334084	-0.95377547	0.43466344	-0.2171185	-0.26224953	0.6344963	0.61020815	0.9780773	0.027977692	0.050467372	-0.1581624	-0.99970245	0.13461752	-0.11229264	-0.08909349	-0.16267186	1	-0.99688894	-0.6917849	0.14741871	0.17621022	-0.8594702	-0.06697935	-0.30898225	0.4824868	-0.43282187	-0.99998856	-0.36352196	0.9543551	0.01510183	0.020249084	-0.38325837	0.48595154	0.06675221	0.6914817	-0.40460396	-0.29413638	0.7345014	-0.85517406	0.49528483	0.47723973	0.4812917	-0.39540043	-0.39089212	-0.5732447	-0.42314577	0.625163	-0.8977242	-0.5020452	-0.3919177	-0.15965568	-0.79406726	-0.30072445	-0.60811895	-0.024750551	0.9827163	-0.754446	-0.3971416	-0.48185155	-0.19026513	-0.32560074	-0.06541848	0.5793977	-0.64875	0.45347604	-0.54292333	-0.07962239	0.77426755	0.15428232	-0.9988393	0.9869876	0.29034448	0.02856979	0.3063327	-0.26878545	0.0638616	-0.5590442	0.999387	-0.13025197	-0.8546804	0.38594818	-0.75776905	-0.000711206	0.38458514	-0.9542761	-0.5510746	0.5066631	-0.13740863	-0.71701896	-0.25604513	-0.071937785	0.09217516	-0.628636	-0.95651233	-0.051658183	-1	0.31892323	-0.8718542	0.503873	-0.06225694	0.96697783	0.47928247	0.7558929	0.3427539	-0.051033624	0.437088	-0.002662421	0.11625125	0.21090764	-0.94966376	-0.13673647	-0.6669727	-0.8466342	0.21045615	0.001308236	0.6758905	-0.26587608	-0.9508859	-0.5582043	-0.7708314	0.92799586	0.658081	0.15724698	0.14641394	-0.0786858	-0.21474244	-0.288067	-0.74032253	-0.55529827	0.633541	0.27845174	-0.7319273	0.39032203	-0.2454432	0.19634603	0.82780874	0.99930286	0.62140423	-0.98063135	0.58141315	0.9959926	0.003659478	-0.20927733	-0.9993856	0.7666137	-0.9619723	-0.72889626	-0.28844094	0.23562363	-0.053998817	0.26274487	-0.9599043	0.031579696	-0.09070846	0.59097517	-0.017877573	0.46495622	-0.18704577	-0.46489364	1	0.9991388	-0.35639343	0.10167194	-0.8891172	-0.20141537	-0.7567678	0.8593811	0.6478487	0.6571515	-0.7086569	0.39718372	-0.19232278	0.6371937	-0.18604268	-0.32973275	-0.43458092	0.47799203	0.9998623	0.61434954	0.30033675	0.061922994	-0.42590955	0.22213879	0.3108123	-0.857875	-0.2877537	-0.31765458	-0.9633023	-0.018034158	-0.1695259	-0.83704674	0.9597124	-0.033231124	0.66173035	-0.003862773	0.5606336	-0.41288278	-0.19902106	0.6407719	0.7457036	0.42467564	-0.5926478	-0.9630435	0.29720932	0.20865828	-0.50349444	0.7022378	-0.36887965	-0.18062405	-0.56499696	-0.3869689	-0.21947818	0.25184846	0.9999137	0.31612334	-0.764323	0.43523815	0.13635434	0.62417996	0.9981264	0.8192923	-0.516456	0.63339424	-0.51173997	-0.615521	0.67152536	-0.998887	0.4815029	0.74631923	0.5769284	0.6447054	0.016255023
415	0	COC1COCCC1[NH2+]C1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1	-0.8896238	-0.43230987	-0.35121703	-0.59040314	0.65429324	-0.5728909	0.38430008	-0.027046498	-0.054812193	0.010936132	0.44216084	-0.34898588	-0.40079755	0.49375284	-0.4356451	-0.49779168	-0.76291984	0.29547897	-0.1805564	0.106664255	-0.6036866	0.06998334	0.2740082	-0.12811862	-0.25853992	-0.21475442	0.096025	0.19110423	0.6253776	-0.34887052	-0.23185544	-0.5781361	0.038254976	-0.38934574	0.69103736	0.8274309	-0.34002614	-0.63085485	0.9996341	0.12536211	0.8142134	-0.2793943	0.16701657	0.1444109	-0.15692843	0.89504474	0.68213177	0.14365777	-0.63019544	0.37673032	0.19528434	0.11752151	-0.3718804	-0.39200476	0.5767966	-0.27764657	-0.02822663	-0.9729365	-0.43480295	-0.30451876	0.38960582	0.10826264	0.7473956	0.07088048	-0.3266478	0.63090134	0.24989058	-0.64617115	0.17150868	-0.26500198	-0.9981012	-0.9247067	-0.2791009	0.8422783	0.37045828	-0.09566407	-0.70951295	0.20638524	0.40975657	-0.99940825	0.39857838	-0.20711884	-0.9571266	-0.09391989	-0.7725293	-0.882574	0.45403633	-0.29747164	-0.45219445	-0.47321022	-0.53886914	-0.22477163	-0.14138027	-0.15602916	0.9991881	0.35546717	0.11351355	-0.21121874	-0.7852494	-0.40826708	-0.090431355	0.66434336	-0.12715128	0.9787731	-0.9998142	-0.44414365	0.28348538	-0.35363963	-0.93823373	-0.85595345	-0.43194786	0.6222159	-0.23400047	-0.7144419	0.62687975	0.37223765	0.6500914	-0.07553622	0.021468064	0.89159465	-0.6561432	-0.36808115	-0.15317816	0.075066514	0.8768024	-0.230275	-0.701955	-0.59662277	0.45644394	0.9985078	-0.4122359	0.7339853	0.51119906	-0.044339918	-0.45740837	-0.9979386	0.6513689	-0.07951447	-0.428305	-0.6289182	-0.9999998	0.32838023	-0.07922512	0.4220317	0.5000046	-0.18662462	-0.67253476	-0.6980316	-0.9993992	-0.50413495	0.34858102	0.59125245	0.543394	-0.06942428	0.30492136	0.23381114	-0.4769916	-0.99405736	-0.44715402	0.30337495	0.6524212	-0.047407784	0.20798032	-0.066487856	0.18512641	-0.19430323	-0.8540795	0.036557935	-0.28919578	0.61266595	0.44272658	0.1134724	0.6534046	-0.5636021	-0.35095325	-0.901216	0.8014261	0.26711032	-0.22655122	0.4173516	-0.5512209	-0.69259244	-0.25548097	0.061322913	0.940101	-0.21027505	-0.5604835	0.6839385	0.5428408	0.070333235	-0.40945518	-0.09415393	-0.5831852	-0.69743127	-0.65777886	0.8411782	-0.30425528	-0.89825124	0.32714456	0.47353396	-0.49024376	0.24218751	-0.2260991	0.3836383	0.26599628	0.000615407	0.19865897	-0.4461839	-0.770155	-0.9998829	-0.11878474	-0.113798335	-0.24181928	-0.39454684	0.2744987	-0.13021329	0.057207305	-0.77794695	0.48546538	0.02140906	0.1647138	-0.21227388	0.12946875	-0.10803847	-0.97395855	-0.70050216	0.5667772	-0.7692487	0.2676601	-0.34661067	-0.5771649	-0.17033562	0.77374864	0.6619086	0.25589862	0.6699614	0.27801347	-0.54318315	-0.2901628	-0.19512677	-0.9503836	-0.7456064	0.56548893	-0.11532438	-0.62141085	-0.386156	-0.5590898	-0.32042518	-0.05732542	-0.17762543	0.6805622	-0.12697382	-0.09168919	-0.01890604	0.4244153	0.06682813	0.012867197	-0.09616047	0.6806058	-0.60485846	-0.08156673	-0.72406113	0.29031995	0.29275784	-0.30529994	0.55436707	-0.09872779	-0.28511658	0.1771047	-0.22875856	-0.3962956	0.9996403	0.097024105	-0.29885358	-0.10958992	-0.6951452	-0.24126054	-0.5226411	0.05587454	-0.23280804	-0.38181362	0.80538136	-0.2783228	-0.23379016	-0.2674361	0.45245996	0.1439444	0.86071086	-0.30485725	-0.13957599	-0.16355172	-0.8965903	-0.6707597	-0.060160957	-0.390657	0.45323333	0.9999998	-0.94584566	-0.03251574	-0.6550394	-0.06719902	-0.5249383	0.60788083	0.09046504	-0.23616162	0.13343018	-0.9998022	-0.5921827	0.79423237	0.23243947	-0.29723787	-0.095208436	-0.6397837	-0.38684484	0.4831665	0.6875554	-0.45986292	0.1679483	-0.94153625	-0.22187941	-0.07735268	0.28618607	0.34226626	-0.2437258	0.029593417	0.25183922	0.15144166	-0.39619127	-0.44833976	0.5638468	-0.1229087	-0.081826314	0.2619532	0.02970368	0.3188534	0.26543912	-0.65036416	0.75689316	-0.5253734	0.32634142	-0.7490915	-0.11895603	0.7473607	-0.33168843	-0.22070843	-0.53650606	0.004786212	-0.27382717	0.008790414	-0.9894876	0.34927252	-0.014639932	-0.4371868	-0.52459794	-0.15063667	-0.0952058	-0.36580265	0.9995781	0.17340858	-0.8324822	-0.015767977	0.75489503	0.5738748	-0.67445284	-0.3227826	-0.30613154	-0.31333396	-0.3008826	-0.05390943	-0.27550468	0.35148877	-0.17739393	-0.5028971	-0.7752058	-0.80010945	-0.9999999	-0.57364625	-0.58542347	-0.13345473	0.32436943	0.78245	0.06192012	-0.35291532	0.3348687	-0.5787132	-0.031429455	-0.31394896	0.6746073	-0.22708857	-0.97740406	0.6232789	-0.49155715	0.5575685	0.62669516	0.5511447	0.09367642	0.28180712	-0.32920656	-0.24748342	-0.5278953	0.9555537	0.23887484	-0.659963	-0.5187609	0.41706297	-0.71563107	-0.64053535	-0.81403947	-0.056860466	-0.15459299	-0.120405756	0.3972024	-0.16961856	0.2677033	0.044011317	-0.14922273	0.99979925	-0.34984353	-0.93198127	-0.5977264	0.9992552	-0.032614734	-0.10108903	-0.9987514	0.7713822	-0.7963073	-0.5027473	-0.2355499	0.41546202	-0.075284734	0.7530159	-0.40810412	-0.4566254	-0.08753486	0.46737286	-0.50073534	0.32050207	-0.85385567	-0.99946094	1	0.9615365	-0.78304267	0.16344413	-0.9345467	0.052101552	-0.34055355	-0.38038316	-0.4176431	-0.6535775	-0.30189985	0.45964894	0.45008537	-0.7281558	0.6426277	0.852396	-0.82069874	0.1811262	0.9917708	-0.9864566	0.53448397	-0.6478561	-0.26114082	-0.45017037	-0.046446167	-0.4409795	-0.71070796	0.38962334	0.35586548	0.25140625	0.13544577	0.7553269	0.7020745	0.63047224	0.8687094	0.2170712	0.15454827	-0.204573	0.4658319	-0.11867616	-0.2200128	-0.047886483	-0.22002575	-0.13186114	0.03728117	0.1532802	0.96157455	0.08968628	-0.49221116	0.3354445	-0.78732204	-0.44983497	0.262399	0.100058794	0.99971884	-0.20658313	0.44129524	0.27563286	0.30032957	0.45438737	0.99947953	0.6137646	0.5332767	-0.08306634	-0.06406198	-0.7668177	0.5898324	-0.999457	0.44924402	-0.30037513	0.449824	0.6172445	-0.410142
416	0	O=C(O)CC(O)C(=O)O	-0.652714	0.16137998	-0.9194346	0.30283234	0.047397595	0.12437926	-0.1426877	-0.58562076	0.13900019	0.15383913	0.25892693	-0.26393446	-0.5572488	-0.050911985	0.3038231	0.73473567	0.056353718	0.50224227	0.32999346	0.13268675	0.3952952	-0.90886027	0.090548284	-0.5280796	-0.05167023	0.03086841	0.20389685	0.048914503	0.01372422	0.20847198	0.22990106	0.6199586	0.43343204	-0.32165778	0.16838579	-0.6801941	-0.24074787	0.24223067	-0.7316337	-0.24683847	-0.9255279	-0.48202997	0.1278454	-0.24358268	0.43068057	-0.99713314	0.02636871	0.29272866	0.88312167	0.106917135	0.40597	0.5435291	-0.2739077	-0.08999104	-0.72833556	-0.23890531	0.11961005	0.96255106	0.19146952	0.060195256	-0.29084063	-0.62868905	0.12883462	-0.0543974	0.03258998	-0.18798111	0.2651566	-0.21549691	-0.19427927	-0.3471777	-0.08942456	-0.99992377	0.11959741	0.9073578	-0.7334578	0.8671525	0.029958673	-0.15876374	-0.07499999	-0.9996458	-0.944363	-0.29205817	0.19898422	-0.65828615	0.5617271	0.9895265	0.58789325	-0.007372412	-0.08182928	0.2080336	-0.104147926	0.76063615	0.024004301	0.22092155	0.9982832	-0.21416426	-0.96458566	-0.6331926	0.010926954	-0.14987645	0.14845811	-0.19689001	0.046906315	-0.6941216	0.9802842	-0.31084839	0.5317389	0.44608408	-0.9999922	-0.035953637	-0.16256687	-0.22658226	-0.46410638	-0.6008681	0.5216939	0.5264491	0.37676477	-0.4051881	0.9995906	-0.049466755	0.01792905	-0.13134986	-0.669926	-0.03681605	-0.5109837	0.4374033	-0.15830576	0.4269836	-0.19395725	0.76901746	0.44743326	-0.6967502	-0.39878044	-0.31697914	-0.5707532	0.91586286	-0.43658048	-0.25248814	-0.4312602	0.2741351	0.9997271	0.00177505	0.69366103	0.3380531	0.59556144	-0.1998537	0.46079707	-0.27848932	0.9965769	0.02994915	-0.14850758	-0.75276816	-0.4827132	0.33307236	-0.11305842	-0.16507566	0.11102473	0.9994362	-0.35770667	-0.40736973	-0.9952768	0.20589459	0.050076623	-0.20340413	0.04194778	0.06639252	-0.3253323	0.5552381	-0.37392882	0.15205835	-0.6214852	-0.001737321	0.4489393	0.18550031	0.6983067	-0.9506301	-0.52944875	-0.40116885	-0.4862226	0.48868942	-0.1509908	-0.9987014	0.07907598	-0.46415073	-0.46019188	-0.017879298	-0.43660012	-0.00387069	-0.37927485	0.4696904	0.75371516	0.11843171	-0.015730124	-0.15298049	0.23311168	-0.5570984	0.70638806	0.846706	-0.76202106	-0.3100525	-0.5423631	-0.21039732	-0.3620033	-0.21648379	0.79914355	-0.085445315	0.3105749	0.8450087	-0.16633698	-0.70579356	0.44189906	0.15611973	0.3555237	-0.58011615	0.019704187	0.11420235	-0.3394913	-0.05214383	0.06292769	-0.29380313	-0.6377945	0.13636672	0.58515227	0.005503302	1	0.10840962	-0.69432956	0.5537232	0.4007521	-0.5450822	0.12614106	-0.28184593	0.05626051	0.012339672	-0.32678995	-0.5011507	-0.30088934	0.23504655	-0.32233933	-0.027056271	0.7565213	0.035886038	-0.24849986	-0.6153764	-0.7352843	0.5823971	-0.21115014	0.17977266	0.029982742	-0.10457482	0.35690585	-0.99983585	-0.47664967	0.019285416	-0.14338931	0.12449846	0.19324054	0.3448223	0.23264523	0.27211857	-0.08029776	0.53138703	0.3689308	-0.49734065	-0.09980996	0.34588292	-0.0627425	0.7895482	-0.33341748	-0.051212247	-0.4511688	-0.8255867	0.59771955	0.00364787	-0.047050383	0.9023295	0.0390412	0.40998352	0.15804209	0.6539904	-0.2815991	0.9993108	-0.23236735	-0.030867865	-0.25488213	-0.39244014	-0.6667397	-0.9947175	-0.9766956	0.25561905	0.4716904	0.9996966	-0.48716387	0.64356995	-0.2667652	0.031565055	-0.99885327	0.79501325	-0.06219837	0.21577024	0.012151345	-0.3300668	-0.17305534	0.4894254	-0.3986245	0.24288654	0.9989174	-0.43599176	-0.041242678	-0.42045832	-0.22802585	-0.02586587	0.06799332	0.17515157	-0.91561264	0.10217858	0.045994356	-0.1763689	0.9998957	-0.15853953	-0.21912327	0.35099286	0.22287714	-0.13435678	-0.43530384	0.18104479	-0.146441	-0.55731225	0.07543863	-0.7544699	0.55989695	-0.018592997	-0.3644984	0.114729114	0.26869857	-0.98677343	-0.5875	0.045500666	-0.5109078	0.03820097	0.5331275	0.1680036	-0.016804263	0.5641143	0.47446302	-0.17033717	0.10993604	0.4132909	0.2280342	0.96962047	-0.9884235	-0.17262232	-0.037817158	0.4971897	0.30079105	-0.32148024	-0.4077622	0.9934016	-0.3255435	0.9522633	0.006286411	0.44190347	0.416377	0.013554311	0.60076606	-0.058620926	0.25463614	0.21113008	0.17240179	-0.38012815	0.14018047	-0.15326554	-0.18404879	0.9360545	0.5416876	1	0.3221502	-0.17284934	0.38827357	-0.67265904	-0.8898583	0.025800448	0.3926985	0.1453399	0.4645753	0.018872563	0.5861121	0.29180068	0.14779916	0.05103408	-0.47970122	0.29440832	-0.4779154	0.28701916	-0.47855106	-0.6872249	0.5271151	0.9399735	0.26472512	0.94549435	0.5748552	-0.21069372	0.07667346	-0.66432637	-0.50645024	0.47763717	-0.5439581	0.09257389	-0.5802541	0.11087402	0.22470792	0.22068693	0.2425195	-0.13253795	0.61344	-0.015108804	-0.9676448	0.2717997	-0.9296131	-0.20011938	0.99908555	-0.18390451	-0.08222123	-0.07374413	-0.5744677	0.7771857	-0.21893176	-0.27247316	-0.24487336	0.04743717	0.44294629	0.9486757	0.38079584	-0.34697276	-0.08682598	-0.38852704	-0.009326316	0.09760152	-0.9999186	-1	-0.9977967	-0.44601876	-0.23831256	0.72394556	0.3198859	-0.42113638	-0.631767	-0.1827911	-0.076265424	-0.001066185	-0.059486765	0.24565534	0.010218818	0.44873124	-0.36143118	-0.34070694	-0.118798316	-0.9971645	-0.9999065	-0.58482075	-0.2975471	0.269146	-0.10179107	-0.32060295	0.66845644	0.2647524	-0.5940991	0.3029082	0.5349024	-0.06260261	0.109712675	-0.95951766	0.11068662	0.85725087	-0.14945063	-0.5738666	0.22177263	-0.8842337	-0.3196634	0.13712992	-0.18696281	0.9783606	-0.85972023	0.18309662	-0.26705372	-0.099570975	0.26044592	0.09820965	0.2640547	0.20098473	-0.69372904	-0.18168849	-0.3055371	-0.96634436	-0.015335571	-0.19235086	0.2920984	-0.07901467	0.0885045	0.9999793	-0.30519056	-0.39910385	-0.23832105	-0.40345043	0.1778934	0.42647937	0.58037275	-0.41095355	-0.3612586	-0.62472695	0.8536843	-0.08207684
417	0	Cc1occc(=O)c1O	-0.015488574	0.12703304	-0.49684706	0.15246807	-0.1991371	0.1932835	-0.20336238	-0.35023403	-0.019358892	0.68044364	-0.29346737	-0.5274627	-0.28302217	-0.546602	0.61254287	0.51920927	-0.56282717	-0.66423583	0.15729256	-0.124605775	0.5723319	-0.8491027	0.07669464	0.42319292	-0.5934926	0.33495173	0.33247748	0.14502692	-0.2926309	-0.47702697	-0.47066456	0.02165618	0.017714512	0.15298171	-0.05473068	-0.1051402	0.054748476	0.036850702	-0.7146784	-0.85014707	-0.98886204	-0.0695716	0.20630805	-0.36192846	-0.2163373	-0.9965604	0.1094413	-0.06733276	0.93432426	-0.33757123	-0.5197475	0.118595906	0.53296036	0.45744246	-0.9119139	-0.44301265	-0.64820737	0.9622187	-0.48311332	0.15789287	-0.11735617	-0.07710755	0.3239574	0.12866826	0.010194855	0.13068944	0.27426794	0.3329373	0.25715426	0.004566988	0.6836947	-0.9994169	-0.17166404	-0.10546743	-0.078076735	0.5931247	-0.44324738	0.44663242	0.50082314	-0.999086	-0.58828586	-0.3178952	-0.9480979	-0.69320613	-0.02450044	0.9442097	0.4964951	-0.6661048	-0.09161619	-0.098704495	0.5626392	0.03867015	0.4041049	-0.12614726	0.9502959	0.10996175	-0.627984	0.13336033	0.08392737	0.24590935	0.21502891	0.18153475	0.17947094	-0.84560853	0.9844161	-0.8212068	0.11432749	0.27700502	-0.8102459	0.42911485	-0.81795055	0.32736957	-0.33831415	0.03582737	-0.46924987	0.28502762	-0.117919125	0.002671378	0.999156	-0.58673966	-0.089191034	-0.19099848	-0.25395465	-0.4963629	0.1485743	-0.1929885	-0.61934483	0.10196693	0.19337514	0.965562	-0.1334555	-0.43693498	-0.19210452	0.3097125	0.28106558	0.00334069	0.5331096	0.050415102	-0.66564804	-0.37201014	-0.9953301	-0.22118449	0.97218454	0.65773726	-0.6960111	0.65018743	0.3228355	-0.09039	0.99628186	0.4661272	0.31946203	-0.7574453	-0.7428119	-0.36028343	0.58900404	-0.3822646	0.12640923	0.99945736	-0.3244933	-0.88478297	-0.99525297	-0.81797826	0.2126115	0.41338608	-0.52019477	0.19115038	0.2466795	0.53027016	-0.41488448	0.3970503	-0.8333542	-0.12604384	0.4028605	-0.6692918	-0.17065343	-0.83704305	-0.6823625	0.4352552	-0.052914955	-0.48979124	0.43995714	-0.88759375	0.10760944	-0.6316339	-0.8123172	-0.17589206	-0.38062394	-0.13786672	-0.5403646	-0.25466317	0.8828165	0.69552356	0.09621861	0.3454084	0.18987633	0.24578407	-0.05881416	-0.32805517	-0.54172945	-0.120083734	-0.035971086	-0.10838056	-0.19570982	-0.3558871	0.36918297	0.1351665	0.3460639	0.24903968	-0.30985573	-0.48689663	-0.62393814	-0.29618323	0.5140266	-0.0000331	0.27800462	-0.26647282	0.49526286	0.33989418	-0.37110683	0.56151295	-0.40181947	-0.46539086	0.80729014	-0.16196571	0.98479056	-0.40550676	0.009613282	0.08724132	0.017074669	-0.46273053	-0.33504492	-0.07637181	0.27141085	-0.63321984	-0.18540569	-0.52020174	-0.13147746	0.20036216	-0.26472536	0.34700397	0.74094164	-0.5010008	-0.3706073	-0.4056493	0.071748264	0.41350594	0.51739794	0.81558985	-0.3059581	-0.39172164	-0.34952265	-0.9961717	-0.14258996	-0.2543409	0.17077166	-0.35379183	0.11881774	0.05160652	0.2782225	-0.020600706	-0.15677643	0.46557406	0.15958333	-0.072699524	-0.070566855	-0.5537138	0.06252065	-0.16549534	-0.078011945	-0.09716782	-0.16634668	0.4205644	0.57546806	0.15163341	0.38359928	0.6831924	0.018086687	0.55013126	0.31463274	0.5340846	-0.42303023	0.9990267	-0.45844674	0.34137338	-0.3777133	-0.119741015	-0.47562617	-0.6558279	0.18934196	-0.50001085	-0.33336663	0.9995599	0.32822344	0.84526914	-0.44918978	-0.002369586	0.99875367	-0.22863998	-0.020889014	-0.1543959	0.6798949	0.4978711	0.2799894	0.4744245	0.2888073	-0.5635812	0.99944824	0.052474316	-0.73399824	-0.32249847	-0.35010058	-0.49837798	0.1887943	-0.5798545	0.05921552	-0.1573541	0.40782556	-0.551448	-0.9861947	-0.38239786	0.3758521	0.52172136	0.034330923	-0.20794912	0.051692896	0.17605446	0.3215477	-0.5145248	-0.47817686	0.26090157	0.4259644	-0.35903087	0.5357603	-0.29829365	-0.15805908	-0.87072843	0.40411833	0.35502952	-0.5131878	-0.43500105	0.26348862	0.031833444	-0.004325329	0.5176133	-0.3296662	0.10236663	0.4546115	-0.08785976	0.46298608	0.9782103	-0.9905682	0.2875786	-0.21844882	-0.13870853	-0.074454084	0.18425891	-0.016091729	0.988893	-0.42333716	0.30943882	0.42774895	0.19080843	0.14147003	-0.3501078	-0.1687099	0.37729162	0.12723035	-0.2465088	0.2897752	-0.49176365	0.002106458	-0.19066769	0.6881041	0.9205498	-0.010767495	1	-0.08753925	0.7139333	0.24487121	-0.07947947	-0.9599955	-0.36808777	0.07653021	-0.55076194	-0.001253511	-0.28388506	-0.12268605	-0.031538535	-0.2529776	0.7874278	-0.105429135	-0.25203314	-0.6787609	-0.4440162	0.043766145	-0.2509121	0.6489405	0.82857156	0.90281963	0.8092726	-0.66028994	0.11269324	0.074749604	-0.52172077	-0.11118761	-0.16111758	-0.6520295	-0.24256513	-0.14635396	-0.26144573	-0.003876711	-0.0984798	-0.034435924	-0.012108978	0.3403054	-0.31243837	0.99996454	0.40750244	-0.9983611	0.08433778	0.9982605	0.14189094	-0.26927018	-0.9983859	-0.12948884	0.75929713	0.5245387	0.26400635	-0.03214184	0.20458214	-0.09202645	0.8428413	0.19629936	-0.68526536	0.21634266	-0.21794344	0.030522764	-0.55368835	-0.9998606	-0.9957569	-0.9975493	-0.099167205	-0.39169505	0.68835133	-0.41486079	-0.07339307	-0.79114765	0.12222632	0.44302398	0.4926321	-0.53250265	0.15495144	-0.32200068	0.093586795	0.64341384	-0.29865327	0.017686302	-0.997739	-0.9998014	-0.5485475	-0.14864114	-0.44722337	-0.2787376	0.42473757	-0.7521683	-0.31785375	-0.5544183	0.56496215	0.39911497	0.086086966	-0.3201647	0.9072595	0.5768317	0.8139212	-0.30828187	0.25317615	-0.12878631	-0.30419758	0.10343878	0.31666172	-0.3655151	0.7895264	-0.62689644	-0.11372265	-0.34833428	-0.21611951	-0.31574628	0.19965477	0.066199996	0.690927	-0.18670088	0.1350763	-0.06719028	-0.98456377	0.6683046	0.14184721	-0.48675746	0.39274514	0.2877455	0.9983785	-0.1742257	0.5128021	-0.26679972	0.17791533	0.24776846	-0.26907024	0.8741749	-0.096240446	-0.12828428	-0.59772825	0.58119637	-0.061848544
418	0	CC#Cc1cc(C)nc(Nc2ccccc2)n1	-0.48443666	0.13125771	0.40913606	0.44091386	-0.57622457	-0.16861506	-0.65753216	0.060521957	0.013660816	-0.64731914	-0.098184064	-0.57190037	0.56347364	-0.31814727	0.007753234	-0.6150437	-0.16005225	0.1939108	-0.014151989	-0.25255924	0.58337593	-0.3805327	0.3031832	0.37929824	0.26992762	0.55489475	-0.10872256	0.5159019	0.28495353	-0.11593151	-0.041411687	0.11276829	0.28017926	-0.5205897	-0.23608643	0.08678091	-0.2657395	0.30851725	0.9509861	-0.9329898	-0.98263	-0.31380525	-0.09262531	-0.47034287	0.44335642	-0.97594684	0.16815136	0.4480475	0.609112	0.3547011	0.34960753	0.118509464	-0.25548068	-0.2431697	-0.83711094	0.5843222	-0.5751058	0.7227668	0.2088016	-0.4060685	-0.14070015	-0.24582417	-0.19100603	0.19527681	-0.20061907	-0.5021452	0.08702019	0.74862164	0.082291484	0.1037421	0.08451278	-0.956377	0.7321385	-0.87231374	0.4894186	-0.2060478	-0.35211185	-0.6215665	-0.1924277	-0.9983295	-0.005057846	0.37884438	-0.8544671	0.6033924	0.021518916	-0.6843463	0.2512844	0.169524	-0.07573122	0.15675674	0.37419295	-0.057511665	0.18958718	0.513227	0.9601096	-0.019298203	0.59860957	-0.4700693	-0.22867578	0.08317695	0.08935608	-0.2691248	-0.18978375	0.7829737	-0.36516175	-0.9218657	0.4026271	0.2088037	-0.8988722	-0.7071685	0.020918237	0.27124655	0.054300733	0.47852898	0.3920784	0.21215111	0.23410548	-0.13565812	0.99867	-0.1450375	-0.16554488	-0.2504725	0.77390033	0.6042813	-0.16339342	-0.5602708	-0.3165904	0.21614149	-0.35271415	0.9991032	-0.68953234	0.5326317	-0.17999114	-0.35353824	0.1398283	-0.979908	-0.11735738	0.8634778	-0.45445105	0.008542554	-0.99993205	0.18590915	0.964935	-0.38721934	0.39962536	0.6734243	-0.20561315	-0.081971854	0.84089315	0.33567724	-0.0942128	0.09362329	-0.5128014	0.22451344	-0.04940827	0.737878	0.2618245	0.98832285	-0.26929387	-0.023811877	-0.9770808	-0.39874008	-0.6881509	0.33975062	0.15174615	-0.42914602	0.29635853	-0.32067528	-0.22328703	0.13449456	-0.18548973	-0.15566237	0.39863122	-0.5438624	0.10376334	-0.61462647	-0.6785548	0.07958639	-0.87027806	0.19494288	0.5068819	-0.1277001	0.19342738	0.36077845	-0.8274925	-0.58337337	0.21967784	-0.029079003	-0.27685672	0.1709808	0.86647063	0.15505789	0.68261415	0.5727741	0.00528274	-0.2931751	-0.38051894	-0.7035492	0.60429364	0.22971396	0.4054773	0.08144046	-0.06679511	-0.22432582	-0.31841794	0.071666025	0.32483825	-0.44301057	0.71424633	-0.9978834	0.18425904	0.18396103	0.4219988	0.22292554	0.74395233	-0.38130245	-0.31195077	-0.68597	0.36918157	0.30284655	0.56407976	-0.29318935	0.022908645	-0.105961956	-0.9760969	0.620631	-0.5569898	0.5740908	-0.42685366	0.20163138	-0.17652367	0.2774704	0.37174457	-0.44313642	0.23592445	-0.14309989	-0.024851019	0.42936796	-0.2554288	0.02266615	0.88789505	0.27517608	-0.4924193	0.4560426	0.49416423	-0.4458696	0.15128686	0.40155816	-0.25364095	0.4115673	-0.35428435	-0.9690709	-0.29623398	-0.14079927	0.08433474	0.46636984	-0.32328948	0.15175375	0.5646578	0.5644044	-0.47286284	-0.41474015	-0.51056194	-0.017446565	0.09229078	0.38967824	0.16617365	-0.23727156	0.114142515	-0.4988148	-0.059638135	0.9661839	-0.64656824	0.23539239	-0.2613339	-0.80832654	-0.17694561	0.28861308	0.31342945	0.52973765	0.45687774	0.99971646	0.2176819	0.29021946	0.1547618	-0.15092345	0.16310073	-0.39315605	-0.39103237	-0.41808215	0.59876794	0.99832463	-0.07055338	0.73076355	0.519608	0.2631465	0.9999712	-0.9842194	0.59733707	0.12291896	0.041713037	0.07229699	-0.6351079	-0.05092054	0.8101353	0.6936773	0.75466263	0.5570915	0.28199258	-0.39270875	-0.47078997	0.1538753	0.74615866	-0.002177241	0.91135645	-0.3043327	0.45338333	0.43327162	-0.9415311	0.38184896	-0.06879815	0.6231556	0.15710123	-0.5950547	-0.53955543	-0.5065684	0.79630095	-0.7116362	0.33068272	0.18446447	-0.0163202	-0.7441821	-0.001186322	-0.4700414	0.39747936	0.2949994	0.48458135	-0.113042824	-0.16873541	0.11854862	0.51816803	0.10684378	0.62264615	0.16171347	0.63299996	-0.42240596	0.6389198	0.5604643	0.19949028	0.63937265	-0.99532825	0.5969775	-0.45988187	-0.34059665	-0.15557326	0.26457256	0.2452294	0.9994438	0.110501036	-0.30674872	-0.02048948	0.09905684	-0.46450844	-0.5527541	-0.67490256	0.6606077	0.47686008	-0.03167825	-0.0668296	0.16138048	-0.52966917	-0.59710777	0.38668382	0.37853765	0.5228998	0.99688476	0.4765656	0.23236726	-0.18033941	0.14405744	-0.48181653	-0.67455256	-0.5855778	0.6232882	-0.06135002	0.3394926	-0.3787994	0.36487648	0.6194467	0.72472125	0.36925218	0.43365672	-0.49715757	-0.35114813	0.45071962	-0.35558507	-0.104243904	-0.3772192	0.14605418	0.48354208	-0.6218363	0.17133738	0.4216049	-0.11422652	-0.48079008	-0.26617622	-0.24597885	-0.19967753	0.32767516	-0.33847862	0.64333045	-0.097420774	-0.3252684	0.09414023	0.07781975	-0.43189475	0.99995357	0.27405	-0.8739028	0.19865747	0.9988588	-0.2902226	-0.03008297	-0.9992028	-0.027340498	-0.3667968	0.60957164	0.1618692	0.40144825	0.57972616	0.5521691	0.0275868	-0.35970587	-0.1748423	-0.41679874	-0.5487187	0.70622534	0.6659007	-0.99998224	0.99570256	-0.9423986	0.37505123	0.6800518	0.2762671	0.003459853	-0.39990032	-0.57174987	0.2495948	0.09482232	-0.36247903	-0.44079885	-0.32342905	0.41892192	0.13736422	0.022906465	0.26207978	-0.58922356	-0.85297006	-0.99996424	-0.060068004	-0.5953225	-0.25750187	0.53662425	-0.44307816	-0.970209	0.5581105	0.50871986	-0.6615729	-0.15192004	0.10983308	-0.3160336	0.943057	0.29686502	0.64636135	-0.4369059	0.34011924	-0.008419244	-0.21189666	0.58451074	-0.6032652	0.2408645	-0.000302618	-0.40038642	-0.36873382	0.73415095	0.40765503	-0.014378975	0.027318748	0.07717615	0.60093564	0.20797758	-0.39499152	0.029323906	0.65961516	-0.21763562	-0.07734469	0.15401022	-0.13119557	-0.321507	0.9999253	0.20912127	0.4410646	0.5038312	0.09209635	0.008008346	-0.08149308	-0.86344457	0.25035554	-0.7272506	-0.039617848	-0.01624267	0.08733722
419	0	COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1	0.9465915	-0.18838249	-0.102195464	0.17749244	-0.75464195	0.5855361	-0.5612391	-0.39172226	0.45293263	0.117979676	0.86076456	-0.2466954	0.30087838	0.7075499	-0.18496267	-0.48269582	0.2539667	-0.15502824	0.17937441	-0.7002293	0.51310945	0.5674146	0.23332463	0.23948683	-0.1554668	-0.856999	0.524306	-0.6160431	-0.8402531	0.07863972	-0.4898182	-0.8471355	0.22315112	-0.3590898	0.45322013	-0.43332466	0.479507	-0.33834267	0.9998756	0.9006815	0.65745866	-0.62908626	0.2665031	0.53813565	-0.3657435	0.9836448	0.39708862	0.1727923	-0.17016369	0.372953	-0.13049105	-0.044920295	-0.843889	0.17750944	0.91141707	0.67557496	-0.4034032	-0.9927023	0.084713675	-0.192321	-0.33881634	0.68077755	0.10149927	-0.42749974	-0.78941756	0.85131884	-0.13910273	-0.6120807	-0.15962611	0.55036443	-0.9786516	-0.9999129	0.44381908	-0.437338	-0.8770631	0.29370484	-0.4923619	-0.890178	0.70345646	-0.99995995	-0.0860686	-0.47868842	-0.8425378	-0.23675942	-0.45626807	0.76410526	0.6530583	-0.18363236	0.07693607	-0.49742916	-0.44449523	-0.40663975	0.5890754	-0.6431258	0.9999985	0.18760256	-0.9873431	-0.20929511	-0.04948814	-0.38771978	0.4121429	-0.2617621	0.5064019	0.61701274	-0.99988633	-0.9904396	0.07229942	-0.41637465	-0.99998224	0.7812406	-0.21899185	0.4147726	-0.7441798	-0.46810395	-0.037811015	-0.18716648	-0.48704785	-0.6256202	0.20583402	-0.30116218	-0.66462654	-0.461604	-0.38653153	0.73090273	-0.09238202	-0.8783491	-0.6261532	0.14120504	-0.020970043	0.27147257	0.44781053	-0.00822762	-0.31192514	0.18938561	-0.40291563	-0.90895945	-0.46801102	-0.08817921	-0.83155704	0.51907146	-0.99997294	-0.63761944	-0.995706	0.1716123	0.045069333	-0.3971268	0.540588	-0.5687359	-0.9998633	0.3537283	-0.2323887	0.8964742	-0.48243114	-0.46613014	0.087920904	0.48417297	0.09981923	-0.99805135	-0.870917	0.9198278	0.7391009	0.13699472	0.29439256	0.50768656	0.14590324	0.17624049	-0.6146638	0.1534146	-0.27894995	-0.4737138	0.62092716	0.20320278	-0.09161003	-0.48802605	0.54871684	0.15264969	-0.20408063	-0.8254589	-0.6439597	0.5820133	0.44312146	-0.99999756	-0.64852804	-0.41533294	0.99222803	-0.0069455	0.4707399	0.32130802	0.44495773	-0.2453041	0.78576714	0.043319758	0.5730485	0.2838735	-0.16974588	0.39653474	-0.769983	-0.8490035	-0.6978726	-0.63735217	-0.30166373	-0.50438297	0.2596047	-0.3247202	-0.07623182	0.10069837	0.51643354	0.53842753	0.7159176	-0.9999142	-0.10245291	0.028473372	-0.7665756	-0.23854846	0.27587634	-0.055794768	0.09262322	-0.053990647	0.4588959	0.36483955	-0.15125953	-0.39069235	0.6023084	0.056123924	-0.98335236	-0.18878056	-0.2507876	0.68685955	-0.75431037	-0.07160143	-0.2781039	-0.2750759	-0.5284661	-0.4514335	-0.4840845	-0.24062799	-0.6672185	-0.3582021	-0.3931439	0.29666895	0.6015091	0.040325657	0.1406507	0.51136994	-0.13797079	0.68183064	-0.14362185	0.3974001	0.08662907	-0.45210573	0.5693858	-0.97429377	-0.06556142	0.7114605	-0.4271797	-0.63604873	-0.5055423	-0.5286066	-0.22620152	-0.43591598	-0.35577202	-0.49288088	0.6645154	0.5329437	-0.28590822	0.42551532	0.29882535	0.6551693	0.43262574	0.03572682	0.83809626	0.99850875	-0.2326539	0.012030263	0.65612435	-0.965565	0.5488485	0.94304276	0.6700194	0.63168377	0.6101524	0.065516554	-0.43270198	-0.8387744	0.5355242	-0.45330173	-0.24896519	-0.96443975	-0.999969	-0.29957315	0.7253356	-0.92861813	-0.36001843	0.79274315	0.6303974	-0.017923994	0.9999779	0.8757995	0.16688707	-0.64788204	-0.14692056	0.52930266	-0.54562664	0.47873488	0.5802736	0.6618792	-0.9997506	-0.48342308	0.7550269	0.47653177	0.31406236	0.3441946	0.11719163	0.7548271	-0.99867564	0.67226374	0.5561264	-0.29055458	0.9999117	0.7887024	0.20268959	0.16498706	-0.26483873	-0.34991592	0.72276324	-0.35774645	-0.20633087	0.661634	-0.002861091	0.334948	0.6207313	0.016345248	-0.5229169	-0.44462073	-0.1622129	-0.9908152	-0.42259791	-0.66498893	-0.7493166	0.16995445	0.32497415	-0.23985177	-0.5159889	0.41155037	0.8262192	-0.29571086	0.095874496	0.19699039	0.4563627	-0.9968831	0.93601274	0.4555306	0.32374737	-0.6284229	-0.68330324	-0.67332035	-0.0383982	0.9989898	0.6193333	0.7441943	0.009238969	0.18717076	-0.5909468	-0.3329332	0.7308863	-0.3303771	0.1624296	0.4183524	0.23524597	-0.08952153	0.6890835	0.19236408	0.62738556	-0.94625074	-0.39863944	0.9882987	0.66016275	0.13143232	0.005416321	0.30395082	0.4957689	-0.3586706	-0.48060647	-0.7211029	0.7016474	0.0995395	0.05499939	-0.4054331	-0.34565222	0.71469325	0.8713317	-0.03765838	0.20326637	0.31340212	-0.32049677	-0.8573535	0.12436171	0.90693516	-0.46975976	0.95091707	0.99997735	-0.18929133	0.016396249	-0.5161335	-0.20143439	0.17013814	0.39972365	0.79847103	0.34104404	-0.9116214	-0.65238726	-0.7368873	-0.22878622	0.24126758	-0.42246792	-0.88528204	-0.9179861	0.2323032	-0.95475954	-0.6000727	0.9975775	-0.27025083	-0.22314942	-0.82085264	-0.05575659	-0.94324434	0.15073277	0.6594981	0.13670579	-0.6280004	0.054455288	0.96191	-0.4457345	0.6237854	0.35256344	-0.23377773	-0.2863529	-0.4939551	-0.99745035	0.9964118	0.9024911	-0.65273887	-0.34014037	-0.25710535	0.12516032	0.72581375	-0.82914907	-0.8779296	-0.40076554	0.28980872	-0.34199098	-0.053831972	0.28746647	0.71974516	-0.2730421	0.3161608	-0.90746266	0.98076725	-0.96299833	-0.24706723	0.75101274	0.5179245	-0.35656667	-0.45384386	0.99973506	0.9434096	0.8994016	0.73900104	0.59765834	0.2091498	-0.5847702	0.9495572	-0.53953755	-0.44295308	0.45441332	-0.78217274	-0.02043245	0.33252653	0.46260363	-0.66098374	-0.5086784	0.9946007	-0.951343	0.014066301	-0.03455697	-0.3127025	-0.42703077	0.570975	-0.6352995	0.79158175	0.28749657	-0.33263376	0.7582575	0.99961424	-0.35498753	-0.2858238	0.16250087	0.29751542	-0.87325287	0.99989325	-0.16785662	0.1201947	-0.5622117	0.092721075	0.0088563	-0.14461617	-0.9993106	-0.10552191	-0.77768254	-0.85452634	-0.27219358	0.3169736
420	0	COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC	0.4328051	0.08997739	-0.66272646	-0.73734957	0.6163935	0.26355016	0.30083564	0.10529737	-0.11453149	0.60267127	-0.24898995	-0.20041887	0.5035974	-0.25652015	-0.11751321	-0.6131013	0.3810748	0.470809	0.23861401	-0.3694436	-0.15724236	-0.2562935	0.6123744	0.21218275	0.3384732	0.08302824	0.112639	0.68223447	-0.4478609	0.2600271	0.07067471	-0.41976696	-0.22813377	0.3072076	-0.24157271	-0.3548191	0.3772372	0.26924884	0.9949934	-0.20526756	-0.9705056	-0.87663543	0.15305	0.5149511	0.1685746	-0.90851307	-0.5114037	0.40314758	0.8989027	0.7635397	-0.798653	-0.5234897	-0.6090629	0.38053903	-0.5126669	0.035743874	-0.2768452	-0.20791678	0.1804574	-0.5166245	0.5163087	0.44032097	0.016641652	-0.40345126	0.049706116	0.28711107	-0.5524029	-0.20842174	0.18926601	-0.029020589	-0.9199245	-0.99771434	0.15516604	0.3582532	0.23059899	-0.07819664	-0.62783796	-0.11118883	0.3716968	-0.9998958	0.5346714	-0.7436498	-0.7956323	-0.3821738	-0.36278883	0.31844798	0.6181146	-0.7527039	-0.04863863	0.5630905	0.4797489	-0.20771836	0.094888486	0.34651753	0.9989323	0.019906871	0.005433412	-0.2536878	0.49441034	0.13417055	0.0792486	-0.22048526	-0.40035278	-0.14187174	-0.9213552	-0.66596943	0.41982487	0.075610854	0.97092944	-0.36548588	-0.05142906	0.2935148	-0.34629875	0.022686427	0.06432143	0.3784701	0.8304681	-0.27556282	0.9978725	-0.6481865	0.5671112	0.007147266	0.5205167	-0.3170053	-0.19223505	0.24608402	0.03216341	-0.033933066	-0.37535974	0.9913379	0.16937983	-0.4033153	0.47139508	0.41041374	0.09569753	-0.99070185	-0.007865483	-0.21126415	-0.7815373	-0.955213	-0.9904544	-0.18316144	0.8298276	-0.3960215	-0.4377668	0.510353	0.110838756	-0.11122812	-0.04102808	0.17505403	-0.033787776	-0.17697859	-0.60461134	-0.83444965	-0.35431147	0.2182758	0.09349207	0.82560545	-0.9031598	-0.8102828	-0.9302548	0.1383424	-0.16957863	-0.102997184	0.33678114	0.7803678	-0.31741658	-0.1691945	-0.5558133	0.45105973	-0.15121661	-0.013014979	-0.5266229	0.65848315	-0.15188475	-0.89287704	-0.53422487	0.32706723	0.0173165	-0.4036885	-0.43158957	-0.9840054	-0.110684626	-0.3718219	0.3168434	-0.6572003	-0.06724775	0.04634215	0.014909265	-0.4734773	-0.46047565	-0.27565283	0.176762	0.068445645	-0.58774716	-0.41264758	-0.025591329	-0.94326764	-0.25445232	-0.5955701	0.1208947	-0.5072012	0.0827086	-0.62628233	0.31388548	0.47209918	0.1597647	0.64484096	-0.298583	-0.99984	-0.25705704	0.0116095	0.46454036	0.1817834	0.11910845	0.2971448	0.040681195	-0.02054796	-0.45213524	-0.11138217	0.61593294	0.33384013	-0.6405915	-0.28726482	-0.99078804	-0.24277633	0.5360232	-0.58488667	-0.08673966	0.8277234	0.33282423	0.28091228	-0.06860676	-0.49865094	0.20183414	-0.5615248	-0.3363455	-0.12108248	-0.6127998	-0.08998783	0.8038044	-0.48587474	0.04712626	-0.70340306	0.12157783	-0.28280842	0.20862627	0.6308376	0.15634544	-0.2150486	0.32535484	-0.9983148	-0.5018514	0.05720049	-0.28880438	0.22185865	-0.18370457	0.112496905	-0.56915957	-0.10136262	-0.14978229	-0.3411829	0.09427293	0.75931656	-0.2050412	0.51704055	-0.81423885	0.76874226	0.9358832	-0.018625205	0.35224736	0.97164553	0.2535535	-0.01246962	0.13119757	-0.94681317	-0.38639534	-0.1866314	-0.79932284	-0.28525504	-0.3728123	0.9983411	-0.36273137	-0.60068494	0.4693756	-0.0983943	-0.31351465	0.7701367	0.70342326	0.16390978	-0.5818004	0.985556	-0.35829446	0.9605296	0.234251	-0.86044365	0.9955881	-0.80393535	-0.13214608	-0.43340492	-0.13143793	0.17001753	-0.17958117	-0.5395752	-0.6087225	-0.38650745	-0.51306045	-0.44991043	0.10929734	0.48388743	-0.061535753	-0.6239059	0.23361894	-0.10511105	-0.69777507	0.24532273	-0.53114897	-0.49413657	-0.99991703	0.044254456	-0.6902876	0.12747219	-0.40155038	0.36325157	0.12292005	0.8073155	0.083589785	-0.657827	0.53262097	-0.38493714	-0.13873936	0.45003852	-0.17982247	-0.012491585	-0.19178689	-0.86481494	-0.4061279	-0.30539024	-0.2889877	0.55810004	0.39013785	0.21656561	0.56977683	0.059543878	-0.42226246	0.10156541	0.35892963	0.42361197	-0.045801368	-0.3638553	-0.9573624	-0.34960076	0.44077632	0.22758494	0.2827535	0.3123003	-0.45183977	0.99978745	0.09927908	-0.19214454	0.10436174	-0.27780446	-0.5346327	0.18327211	-0.57517743	0.26122257	0.60671324	0.28840366	0.0758614	-0.6090884	-0.12580208	-0.35938162	-0.026713867	0.10251792	0.037190285	1	0.022126717	0.4388489	-0.117453724	0.014807471	-0.4575934	0.73940444	-0.6006364	0.1899934	0.20955864	-0.5144126	0.24377088	-0.65891004	0.4419274	0.009299981	0.12406556	0.043342374	0.69830096	0.20974885	-0.112513825	-0.9167397	-0.012811853	-0.26677528	0.8348998	0.16039194	0.56765646	0.16493283	0.55971813	-0.33537877	-0.13370523	-0.30697942	0.39379475	-0.23406664	-0.18506965	0.1869182	-0.62167704	0.17739701	0.101185784	0.29775265	0.08326624	0.73505884	0.9999998	-0.5724274	-0.97704506	-0.39371815	0.9997997	-0.11437179	0.1592226	-0.9999441	-0.27977857	-0.20769213	0.29890522	-0.31359917	0.26460564	-0.28576958	0.3290733	0.72549415	0.65453875	-0.8383795	-0.46510667	-0.4671888	0.6393707	0.3956088	-0.99995863	-0.9957914	-0.8967622	-0.45091587	-0.3746919	-0.43013665	-0.7104488	-0.018188398	-0.9388336	-0.0496081	-0.060211834	0.100549296	-0.46467215	0.055177275	0.5412548	-0.3638774	-0.2953196	-0.010711185	-0.3800261	-0.31061378	-0.99989176	-0.46517128	-0.17036428	-0.45042416	-0.30365503	0.32182446	-0.4285018	0.103483096	0.45440018	-0.20266275	0.09655459	0.32158577	0.3105645	0.9264801	-0.010719185	0.32945797	-0.61666155	0.3780453	0.1170984	0.5841974	-0.1844697	0.6029221	0.1759809	0.4257182	0.5987799	-0.003036865	-0.3998265	-0.041973505	0.3675191	-0.56141543	-0.417803	0.6228065	-0.19033642	-0.48011243	0.21078528	0.9751172	-0.73483735	0.6802402	-0.16728745	-0.4233249	-0.46206546	0.9995755	0.33917668	0.108910985	0.078260876	-0.0879903	0.3259354	0.32747617	-0.98920804	-0.49941984	0.45377934	0.22169265	0.6747624	0.4669835
421	0	COP(N)(=O)SC	0.26132885	0.04857138	-0.7705411	-0.34908918	-0.5536012	-0.31318462	-0.93467736	-0.041199435	-0.328127	0.1146097	-0.156872	-0.11565143	0.18880175	-0.41700092	-0.21909378	-0.001876562	-0.37595543	0.22543976	-0.30902135	0.16333827	0.67486006	-0.69491035	0.029508747	0.3850705	0.5096287	0.116647646	0.27511913	-0.09005484	0.002602746	-0.18119599	0.25145158	0.7321592	-0.001517214	-0.35780266	-0.061811298	-0.7260654	-0.010552531	0.7371751	-0.8762462	-0.7747464	-0.9622133	-0.028306894	-0.5192639	0.22698918	0.49143025	-0.99456847	0.53064907	0.8187186	0.98986775	0.60363406	-0.18356583	0.24796426	-0.43096477	0.45782828	-0.95362633	-0.036006134	-0.53707737	0.9734835	0.16673668	-0.19969727	-0.24410827	-0.06268499	0.2634477	0.08927191	-0.00304405	0.6303894	-0.3125536	-0.23449066	-0.29199347	-0.59316313	0.6470784	-0.99886984	-0.2522052	0.8638746	-0.57845855	-0.26832297	-0.2513316	-0.8385034	0.3245004	-0.99919504	-0.36625043	0.005611197	-0.27232897	-0.3907893	0.008981174	0.94557184	0.31036478	-0.22779101	0.1271074	-0.45795402	0.3139051	-0.3385372	-0.09126788	-0.60668015	0.9515839	-0.3370142	-0.85008633	-0.11897066	0.037560664	-0.331945	-0.5196246	-0.68111193	0.2074321	-0.9181367	0.98666424	-0.70192736	0.7338503	0.03319824	-0.8177153	0.37946692	-0.22067343	0.28630537	-0.00126408	0.27075773	-0.09986401	-0.6979151	-0.4009206	0.017705463	0.99876356	-0.34560397	-0.24763758	0.40160805	-0.22054799	-0.042506672	0.05397998	0.277021	-0.31436044	-0.4281316	-0.39880994	0.9445444	0.1657633	-0.4671261	0.19510183	-0.052579097	0.2901655	-0.5421694	-0.51243836	0.05839944	-0.16115734	-0.05506319	0.99939495	-0.5022846	0.9458003	0.5385701	-0.5315659	0.28203252	0.09778723	-0.09918715	0.9960981	-0.67955047	0.01667131	-0.1782001	-0.54189944	-0.2243398	-0.47739765	-0.12015906	-0.6786409	0.9994159	0.071806215	-0.42867664	-0.9901197	-0.36801112	0.30722195	0.2708998	-0.13712265	0.31061882	0.07344399	0.39961025	-0.46216664	-0.11286983	-0.47896945	0.19736347	0.4834044	-0.3701703	0.27238438	-0.77724016	-0.73985744	0.014868483	-0.085596226	-0.6553926	0.46987957	-0.9590418	-0.07182767	0.25348523	-0.76020473	-0.11322398	0.6170156	-0.2447428	0.10517218	0.18336189	0.52658886	0.23220128	0.21639402	-0.26428783	-0.003922703	-0.40818003	0.040084153	-0.6693476	-0.5829342	-0.3327348	-0.7444042	0.022637865	-0.37965715	-0.73152375	-0.173423	0.62993026	-0.41235235	0.11197982	0.09682278	0.1081126	-0.04570009	-0.016600585	-0.13827898	-0.24456325	-0.2820158	0.6984739	-0.27977285	-0.41036975	-0.37902677	0.53371125	-0.3067482	0.011523263	0.28723633	0.36946306	0.9938398	-0.02294971	0.222997	0.027216222	0.29299527	-0.47286096	-0.63453144	-0.6351731	0.42913175	-0.5123468	-0.2318998	-0.54048306	-0.5485975	-0.019467454	-0.5545237	0.04904307	0.72161263	-0.16611095	-0.22187714	-0.14561398	0.067656346	0.40854144	0.081865646	-0.23055105	-0.1938459	-0.17864896	0.7347074	-0.9996115	0.27350917	-0.1515787	-0.59228855	-0.039166592	-0.40090406	-0.4123317	-0.04812969	-0.25720656	-0.7946266	0.20948704	0.57075375	0.33447012	0.037621845	-0.47079888	-0.25945708	0.71831584	-0.43987828	0.25341955	0.31552893	0.20178948	-0.10426497	0.63417876	0.33322528	-0.730282	-0.12383118	0.37773547	0.4111621	0.7259916	-0.1419813	0.9981878	-0.21243006	0.3493325	-0.8447966	0.020169327	-0.7447523	-0.84100807	-0.92943126	-0.74959886	0.3800424	0.999365	0.55078256	0.8818051	0.57583654	-0.11340415	-0.9983314	0.21549895	0.4483536	-0.5834717	-0.7770253	0.2789928	0.08191614	-0.21854675	0.18507765	0.6196518	0.9997321	0.12875855	-0.50267875	0.48970267	0.20160064	0.41652545	-0.10768193	-0.25759277	0.006160129	0.22476605	0.54557467	-0.08901468	-0.94911295	0.6648625	0.3511275	0.53844625	-0.2962396	-0.36659428	0.49409723	-0.2952386	-0.07769586	-0.6896039	-0.49309197	-0.044798102	0.497436	0.24984862	0.011883762	0.6077298	-0.2985396	-0.7960657	-0.2561463	-0.035412077	-0.75220436	-0.6586582	-0.07487655	-0.50131726	-0.042319242	0.51874167	0.46536916	-0.005934093	-0.1402541	0.48238787	0.6742435	0.9712866	-0.9876685	-0.28340212	0.24842301	0.37756777	-0.09274273	0.40196425	-0.45529652	0.9611045	-0.29176065	-0.296582	-0.18157656	-0.1725811	-0.110761434	-0.11171015	0.05064683	-0.6136326	0.3031076	-0.20845151	-0.61591786	0.260225	0.45879477	0.22088845	0.24454843	0.93209255	0.3198245	1	-0.6946162	0.11459299	0.38112786	0.10125412	-0.92576003	0.13091658	0.010306017	-0.24279013	0.71660066	-0.29834512	0.061178997	-0.21527307	-0.6572928	0.46270236	-0.043217525	-0.4251352	0.54552907	0.20193626	-0.37588573	-0.6864585	0.65414417	0.6584227	0.7893031	0.35610878	-0.6771337	-0.0552884	0.39490125	-0.548041	-0.13476606	0.50676185	-0.36680537	0.17038395	-0.115094505	-0.58269805	-0.56451213	0.42745003	0.65439624	-0.46709153	0.08138822	0.11855832	0.9998758	-0.17548636	-0.7399522	-0.4849089	0.9842885	0.44005254	-0.38204923	-0.99745816	-0.33756912	0.5465676	0.7115324	0.21163608	-0.59494203	-0.52276564	-0.62726235	0.9543107	-0.109459765	-0.46635208	-0.52198267	0.14197701	0.31592175	0.11298447	-0.99983805	-1	-0.99840444	-0.48660767	-0.15238048	-0.8857616	-0.19770142	0.4703085	-0.72852427	0.6120873	0.6584757	0.3119713	-0.37022024	-0.003629683	0.15114516	0.052985817	0.15896326	0.0491896	-0.16595587	-0.9972594	-0.9995587	-0.023299433	0.48919123	0.2985672	-0.58436847	-0.6965399	-0.5365161	-0.31704083	0.5449763	0.42461896	-0.01976291	-0.68745553	0.35227072	-0.91844106	0.38929003	0.7943637	-0.08948577	-0.27153853	0.18002298	-0.3931539	-0.0749652	0.30381566	-0.79251677	0.9249216	-0.99475527	0.3148465	-0.11823749	-0.037065934	-0.7928523	0.111144	-0.37551618	0.32398286	0.2561535	0.59413856	0.6464628	-0.9933103	0.15511702	0.4589932	-0.30094317	-0.31185025	-0.5232169	0.99977386	-0.27700076	-0.084617004	0.6390589	0.6347615	0.46931633	0.12234293	0.920497	0.2093602	0.04841058	-0.570656	0.64758587	-0.07144902
422	0	Cn1cc[nH]c1=S	0.0371854	-0.062162288	-0.13494839	0.41070908	-0.48812065	0.26172262	-0.49923465	-0.44217566	-0.79900855	0.107276835	-0.59632266	-0.7729564	0.012162195	0.009261603	0.7334927	0.30085376	-0.29638085	-0.06865589	-0.06719571	0.5750951	0.12343997	-0.8818906	-0.43609732	0.43378758	-0.12525015	0.5188624	0.1133738	0.4789172	-0.18586254	0.212192	-0.20423491	0.42367578	-0.072405	-0.033784863	-0.52351356	-0.27958226	-0.4747903	0.013801063	-0.95415056	-0.879061	-0.9981852	-0.7314879	-0.29701322	-0.52761734	0.13588047	-0.99678254	-0.1458757	0.50862944	0.9710401	-0.37257692	-0.1561751	-0.1883776	-0.23199646	0.07042354	-0.9157339	0.5042521	-0.38929272	0.972706	-0.15552656	-0.09773354	0.021093685	0.3427424	0.7511408	-0.35072312	0.5332888	0.3389118	0.15976763	-0.15844597	-0.18846528	0.08062487	0.2895617	-0.999508	0.1602806	0.17317696	-0.6954309	-0.24635598	0.23830049	-0.20863353	0.4280757	-0.9999009	-0.8160316	0.22442883	-0.952984	-0.6598635	0.51456225	0.9420443	0.6541428	-0.31495303	0.09269656	-0.65591383	0.5698599	-0.051457986	0.0649189	-0.41368872	0.47987956	0.102841236	-0.86440605	0.27399454	0.11636355	-0.21520352	-0.42016384	0.31228358	-0.25492847	-0.758017	0.9951342	-0.37252203	-0.10020793	0.4103027	-0.95663816	0.13105871	-0.022297246	-0.11712596	0.58847666	-0.5760013	-0.21617422	0.5456972	0.14103836	-0.22558999	0.9989332	-0.4471369	-0.3637514	-0.24772753	0.25147176	-0.53709775	-0.05748664	0.14513332	0.07105077	0.0378182	0.49088627	0.9788171	-0.42745498	-0.37214643	0.39130977	-0.31729534	-0.22466455	-0.51875526	0.28877443	-0.11151573	-0.20858516	-0.35907218	-0.99899673	-0.070458114	0.97565055	0.002918231	-0.41126317	0.6641581	0.13860278	-0.61680555	0.9985693	0.28127068	0.10947772	-0.2723955	-0.39164424	-0.06224948	0.02880652	-0.05392497	-0.3383398	0.9994699	0.71921885	-0.55885965	-0.993988	-0.5568949	0.00523765	0.56837296	0.2055751	-0.31430492	0.39895806	0.55176175	-0.22227727	-0.3706827	-0.5774498	0.16147101	0.5125555	-0.09799586	-0.17288946	-0.6812922	-0.7119926	-0.2564611	-0.20692667	-0.4562589	0.27854475	-0.34927407	0.08120661	0.42963427	-0.9448564	0.15237425	-0.09040213	0.86981326	-0.6128876	-0.04373942	0.74444914	0.7312265	0.04838098	0.47081184	-0.047533974	-0.40321702	0.051509555	-0.87973964	0.26937732	-0.25639245	-0.37412217	0.12499528	-0.505953	-0.27617443	-0.5250777	0.52292746	0.29234535	0.41511852	-0.27110288	0.8118258	-0.3699556	-0.48469546	-0.2405714	0.11278825	0.42225555	0.80969757	-0.26852322	0.17952234	-0.52555686	0.8830657	-0.75782216	0.005390772	0.7340595	-0.33330792	-0.94326913	0.34318772	-0.052215885	-0.04763221	0.17048499	-0.3979775	-0.21093011	-0.7167201	0.14297554	-0.30132592	0.18855727	-0.46759322	-0.7313377	0.36599803	0.28058836	0.15645571	-0.989924	-0.40477404	-0.18947393	-0.24245095	0.0868424	-0.5149626	0.05295538	0.24070163	-0.47503883	0.49907988	0.49174556	-0.9940996	-0.35288513	-0.75638056	0.46849477	0.26040328	-0.35171247	0.030413037	0.31133303	0.5906	-0.19656682	-0.2799213	0.29771367	0.3138437	0.1426555	-0.75132877	-0.076275066	-0.049648438	-0.29129007	0.16098237	0.17010818	-0.78286636	-0.20019777	0.35478336	0.5242896	0.5652444	0.13149394	-0.34940505	0.33050826	0.743548	-0.26439542	0.9986439	0.42483595	0.53027385	-0.39522353	0.110543765	-0.51452583	-0.7956498	0.7314724	-0.18675897	-0.094187275	0.99933547	0.32402912	0.70017606	0.37835994	0.007027942	0.9996187	0.08698401	0.3893264	0.24759649	-0.3787053	0.48605713	0.28884032	0.48174515	0.8568446	0.45867732	0.9998146	0.45771798	-0.75338274	-0.16775447	0.5057364	-0.32392785	0.30853826	-0.37032992	0.76308817	-0.55385965	0.23093177	0.6648114	-0.96384346	0.09622197	0.27745965	0.10105589	-0.21559738	-0.23665015	-0.34786168	-0.24260214	-0.5766693	-0.6720971	-0.2503859	0.38116807	0.6747401	-0.28932324	0.617472	-0.007154662	-0.038929384	-0.8119201	-0.6470586	0.20211606	-0.71022666	-0.60395205	0.3056584	-0.77575964	-0.107664	0.45374674	0.3920867	0.74290615	0.31945238	-0.67468345	0.1840812	0.96785855	-0.9899324	-0.26166862	-0.45833534	0.51320875	0.49257216	0.20448795	0.04088392	0.6136588	-0.4106229	-0.2640898	0.07966849	0.31990582	0.091722354	0.17401166	0.08750197	0.31952867	0.18269806	-0.57148963	0.34219584	0.16580772	0.12099105	0.07041209	0.25492188	0.92198807	0.18247087	1	-0.19791096	-0.05836804	0.24188952	-0.04761306	-0.88069665	-0.41776738	-0.24761124	-0.43631563	-0.5755654	0.1481736	-0.5242727	-0.58153886	0.34852228	0.5607629	-0.51136667	0.2852293	-0.55773205	0.37945512	-0.43616894	-0.14873098	0.0708325	0.80036867	0.8298127	0.527044	-0.879092	-0.4811535	0.07480833	0.30870798	0.39378676	-0.024746498	-0.59853375	-0.110894755	0.3840921	-0.48211002	0.7516971	0.64808005	-0.46850872	0.2963218	0.8086488	-0.003305317	0.9999263	0.18046632	-0.9911823	-0.11337052	0.9962055	0.21924007	0.22306271	-0.9976554	-0.113035224	0.6884786	0.6454873	-0.55448765	-0.57382524	0.06584441	-0.4719018	0.9091227	0.022142597	-0.6652604	0.3531517	-0.42917526	0.2671649	-0.67297584	-0.9997996	-0.9969251	-0.9970728	-0.4375487	-0.09411103	-0.2737614	0.05422027	-0.23632078	-0.72531915	0.27856547	0.8285985	-0.7077883	-0.40723896	0.18442485	-0.07192059	0.3073846	-0.39631838	0.31082785	-0.4187544	-0.99770755	-0.9998026	-0.435647	0.40488505	0.2873285	0.3871357	0.37903935	-0.91970724	-0.75807524	0.3748219	0.5663928	0.18163352	0.26404992	-0.050097138	0.90851545	0.3671611	0.9440397	0.16692989	0.31534776	-0.3667718	-0.2180308	-0.3025873	0.44024518	-0.39065817	0.836115	-0.41527274	-0.1559205	0.20605677	-0.45770606	-0.4624476	0.25412914	0.14578237	0.10468106	0.53535056	0.3820515	0.07244525	-0.9953601	0.2309149	0.3306308	-0.4861371	0.31944114	0.24504681	0.9986969	0.01488463	-0.06619681	-0.3303328	0.42341214	-0.12725393	0.57768154	0.97065556	-0.3827129	0.25913867	-0.42189217	0.35641822	0.5900383
423	0	CNC(=O)ON=C(C)SC	0.6978964	0.03986981	-0.6359852	0.45268402	0.05579241	-0.22981961	0.057453036	0.13419735	-0.52094656	0.36196244	0.47318578	0.009878128	0.006456765	0.06748551	-0.27090704	-0.013798862	0.58479494	-0.16004987	-0.2672205	0.6044938	0.6532357	-0.47643077	-0.06984495	0.42564806	0.03117048	0.49574897	0.30479378	-0.5826794	-0.4304518	-0.22496948	-0.41650742	0.7009667	0.1744307	-0.49848697	-0.047088113	-0.2530461	0.57721364	0.5817275	-0.5191007	-0.8101197	-0.97184855	-0.5383055	-0.24732372	0.42189297	0.34576526	-0.99516284	0.43548054	0.60662246	0.99224	0.66448224	-0.2446106	0.19881377	0.36966503	0.086717345	-0.5871547	0.26130453	-0.4545073	0.9649385	-0.21935949	-0.32298973	-0.27066237	-0.3434975	0.37165633	-0.028434083	0.046215035	0.43490824	0.43508342	-0.43896192	0.53829384	-0.23127514	-0.16365656	-0.9993637	-0.18774192	0.660015	0.04779854	-0.46769294	-0.818694	-0.2457145	-0.20257822	-0.99987304	-0.13509168	-0.33699694	-0.38427892	0.4366149	0.042844575	0.89779496	0.1418598	-0.41468206	0.20094009	0.19519296	0.2969955	0.187602	-0.30142185	-0.29615366	0.99722344	0.28637126	-0.8643836	0.26468223	-0.11700323	-0.26946607	-0.65647787	-0.4216863	-0.038975637	-0.55800444	0.9643537	-0.888337	0.810705	0.121275485	-0.936875	-0.38796362	0.02210738	-0.31325713	-0.30619636	-0.26102445	-0.020443907	-0.49239692	0.33122075	-0.05499206	0.99919623	-0.64978284	0.14743957	0.11197791	-0.30930415	0.07417865	-0.2977043	-0.066194676	0.08846425	-0.27300087	-0.3156346	0.9685354	0.7223448	0.09123241	-0.18906283	0.6229472	0.055835072	-0.94598126	-0.5094243	-0.50057966	-0.12517989	-0.09710711	0.99930775	0.4964726	0.9367324	0.24206245	-0.5041315	-0.37006772	-0.12987946	-0.085571475	0.98623985	0.006406178	0.3887769	-0.24196869	0.057831176	-0.35269776	0.5732641	0.26591688	-0.31809494	0.99930525	-0.12528382	0.5774172	-0.9899984	-0.4809988	0.009158684	0.15988055	-0.006762751	-0.4267297	0.35543305	-0.32990184	-0.4224311	-0.3415101	-0.16619526	-0.42799497	0.775048	0.3939956	0.05404406	-0.6007034	-0.7710426	-0.50998694	-0.27209982	-0.2834619	0.34762675	-0.881726	-0.18733041	-0.3820905	-0.8152345	-0.1674815	0.4907038	-0.22561651	0.47749516	-0.271864	-0.09386904	-0.09102445	-0.2350372	-0.4376701	-0.20018792	-0.66209555	0.24831972	-0.8100373	-0.49949288	-0.34034726	-0.13098504	-0.782837	0.06440979	-0.15033694	-0.11558293	0.16411301	-0.26395166	-0.46147534	-0.16336232	-0.91546583	0.16544531	-0.16983269	-0.21595314	0.27406055	0.08857021	0.47906846	0.45089984	-0.50511676	-0.30220032	0.5026363	0.193652	0.2307176	0.64786005	0.10568837	-0.90446407	-0.06507612	-0.1467456	0.4079437	-0.28492215	-0.12198716	-0.29783097	-0.3144519	0.08320257	-0.38645	-0.18951175	0.08959901	-0.48992318	-0.24959779	0.1926266	0.1896798	0.7601648	-0.3172039	-0.19820088	-0.4022971	-0.46859223	-0.21877252	0.69574505	-0.33801746	-0.061260097	0.36307043	0.7459413	-0.9997041	-0.43016082	-0.16095917	0.13314272	-0.23907098	-0.6313768	0.23254457	-0.56694496	-0.49038342	-0.16675319	-0.2189682	-0.34776717	0.05535618	-0.22274485	-0.17701924	-0.47355166	0.595605	0.15920055	0.4557552	0.43363115	0.98397875	0.20172188	-0.20665255	-0.36880517	-0.927804	-0.0802833	0.7099758	0.41756782	0.65958065	-0.12259326	0.99925834	-0.6322187	-0.17716911	-0.34234354	-0.4464344	-0.5458584	-0.8181843	-0.88984644	0.072953194	-0.34866425	0.9996092	0.35700625	0.7727161	0.4562907	-0.39454657	-0.99889076	0.0205198	0.6872712	0.22993557	-0.12586741	-0.34812364	0.32664305	-0.1053607	0.78059465	0.695242	0.9985829	0.012904258	-0.119192466	0.6281357	-0.0650966	-0.14653821	-0.124811605	-0.06395978	0.45528543	-0.5351546	0.000903878	0.16559869	-0.91231555	0.50843674	0.010996755	0.09684493	-0.24377832	-0.5848049	0.7383575	0.12928753	-0.5491158	-0.566569	-0.4995835	-0.36019233	0.37085527	-0.022296203	-0.43613777	0.45978487	-0.13747483	-0.9077834	-0.22730502	-0.10262933	-0.07702074	-0.36140534	0.35606107	-0.084793925	-0.73448807	0.80435973	-0.21459399	-0.09868191	0.051961243	0.68943393	0.2967647	0.96103716	-0.99119693	0.5053562	0.29276636	0.2555172	0.5896378	0.10636313	0.01052543	0.99899495	0.3416661	-0.38106245	-0.2288892	0.18586403	-0.19751738	-0.0644173	0.12486458	-0.26279944	0.61838216	0.557034	-0.34284788	0.5956453	-0.216331	0.4615411	-0.2802048	0.73119	0.3195756	1	-0.1943684	0.116326064	0.44270632	-0.42104977	-0.886916	0.6841894	0.6442453	0.50276184	0.63604057	-0.3273323	-0.06067485	0.3345534	0.47844037	0.39367345	-0.121360354	0.09558635	0.122340746	0.30340457	0.1408631	-0.8031502	0.39610174	0.6604595	0.06812882	0.26081672	-0.051548794	0.4476034	0.074990414	-0.3979498	0.23340867	0.503958	-0.28059664	0.060026735	-0.20825775	-0.7797047	-0.23403957	0.56580853	0.6651419	-0.45587513	0.38365543	0.3511284	0.9998781	-0.2757717	-0.86656195	-0.19529358	0.99701643	0.27634707	0.37775803	-0.9978605	0.11602504	-0.24614042	0.22575016	-0.66924053	-0.616356	-0.435299	-0.42223123	0.82372445	0.49327514	-0.49134523	-0.5667366	0.39884642	0.66295904	0.16729434	-0.99991107	-1	-0.9972228	-0.5844352	0.38279468	-0.6191667	-0.17506744	0.5532951	-0.07169195	0.577079	0.6157544	0.16859779	0.2865258	-0.17300752	0.40252838	0.39838266	0.292574	-0.122593746	-0.31225243	-0.99556595	-0.9997989	0.2417767	0.22617947	0.1407717	-0.41998947	0.46995956	-0.5171557	-0.25985327	0.27801144	0.2563275	0.3814707	-0.2303521	0.19781521	-0.84539926	-0.37467647	0.6249511	-0.17706355	-0.38349164	-0.22822689	-0.40404832	0.039430983	0.7043804	-0.6544408	0.90502113	-0.96895486	0.13755302	0.37982476	-0.03236428	-0.7429965	-0.24441063	-0.4296015	0.5012314	0.28666133	0.5780643	0.28083828	-0.94371045	0.005710454	0.47827694	-0.12740228	0.42250076	-0.09218903	0.99995446	-0.29470453	0.5283145	0.65077424	0.6005123	-0.07058697	0.06943499	0.17150994	0.5756148	-0.07166822	-0.64370114	-0.48984176	0.000588979
424	1	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1	-0.41223454	0.56720084	-0.47231543	-0.14197773	-0.15577392	0.031977374	0.589685	-0.7074832	0.6978945	0.32857317	-0.19433029	-0.11365992	0.46402204	0.58253115	0.17548563	0.758098	0.4567393	0.53106755	-0.68053114	-0.24208996	0.8467693	0.4796974	0.7374821	-0.07731457	0.3983225	-0.6281394	-0.06739502	-0.14499818	-0.29602772	0.6322606	0.65957344	-0.26614794	-0.7141182	-0.69984454	0.26824775	-0.7720481	-0.29575792	0.1623906	0.99962705	0.71112466	0.9854365	0.52647537	-0.76317626	0.17766753	-0.20057355	0.9743389	0.023745053	0.65906394	-0.923945	-0.74779314	0.37252343	0.40579483	0.4185029	-0.8646378	0.8434753	-0.25766894	0.61761165	-0.96344274	0.7046415	-0.34754267	-0.42293903	0.110458955	-0.2752963	0.34666124	0.4645487	-0.3884452	-0.07261797	-0.47728786	0.027258607	-0.9173269	-0.999622	-0.9963114	0.6407668	-0.75173223	-0.8916314	0.8033837	-0.5506655	-0.23560062	0.022143068	-0.99865276	-0.8997356	-0.48396578	-0.93810165	-0.34380403	-0.25289524	-0.08264915	0.4058736	0.14803459	0.101503186	-0.46889317	0.27098417	0.26341158	-0.11191776	-0.003551952	0.9999931	-0.3929701	-0.98160267	-0.18308939	0.19677274	-0.17820828	-0.24680454	0.039576016	-0.43605262	0.94780904	-0.9998393	-0.97249687	-0.017626652	-0.53451747	-1	-0.5236007	-0.28940704	-0.40845445	-0.7765269	-0.07884116	0.6157099	-0.44037002	-0.045328338	-0.29129595	0.006234833	-0.007192222	0.6779963	-0.759366	-0.40565193	0.5501007	0.19145975	-0.1332846	-0.86823875	0.32815838	0.13855687	0.92110986	-0.748209	0.012748198	0.21463467	0.4532348	-0.7548616	0.40174568	-0.88842404	-0.01703907	-0.13579792	-0.15894239	-0.99998605	0.007264288	-0.9890372	-0.5560903	-0.38988942	0.4617225	0.56054896	-0.89170325	-0.9997914	0.31638426	-0.41758016	0.28149593	-0.6457107	-0.35636395	0.13423271	0.82423365	-0.43711513	-0.9980516	-0.2146805	0.42055205	0.726242	0.23333827	0.20336561	0.5029741	0.12744793	0.3980461	0.1990454	-0.37511164	-0.71390486	0.076525845	0.17481591	-0.44642937	0.10757401	-0.32550624	0.5178634	0.85100186	0.4670846	-0.41569522	-0.39861953	0.38107005	0.058804177	-0.9999641	0.3565447	-0.11281062	0.9884527	-0.22343943	-0.09194097	0.44183326	0.17233363	0.2063403	0.91382194	-0.6270078	-0.2689716	-0.48817927	-0.1683413	0.005692923	0.22131848	0.9310421	-0.8798251	-0.7604645	0.005969942	-0.3589074	-0.6182188	0.20557603	-0.36582154	0.47644538	-0.77897507	0.3298494	0.7460046	-0.9998527	0.24838987	-0.04511087	-0.23647952	0.11049887	0.90249425	0.028690698	-0.50232846	-0.38456464	-0.7012153	-0.23703349	0.4697728	-0.2667224	0.42531648	0.5378266	1	0.80729175	-0.3860491	0.87563723	0.31749123	-0.35137862	0.31788644	-0.676337	0.029122248	0.3936813	-0.14684613	-0.21228893	-0.72673774	-0.000843182	-0.082185805	0.002563253	0.53508466	0.717011	0.30532613	-0.88250047	-0.025290761	0.31158802	0.07274304	0.67898506	0.22375423	0.32216865	-0.12476418	-0.8017802	-0.28795007	0.029497396	-0.42792925	0.39029753	0.21969958	-0.21810459	0.34847093	-0.042899646	-0.49655485	0.080261864	0.43513882	-0.29878786	0.42851624	0.6138187	0.3086951	0.26705563	-0.85090923	0.42310533	0.64353573	0.9994717	-0.30032453	-0.45855102	-0.12016004	0.51108384	0.2237493	0.35757616	-0.23565243	0.47416177	-0.020668237	0.41826543	-0.12533699	0.04721353	0.7063335	-0.26505315	-0.52277535	-0.9876622	-0.99993724	0.4176053	-0.043574687	-0.9262659	0.20434652	-0.016233396	0.42600894	0.032120354	0.99999326	0.6448885	0.4653814	0.4495658	0.14077759	-0.30256218	-0.8261178	-0.21676038	0.9481718	0.60863274	-0.999826	-0.1482696	0.8485018	-0.44135287	-0.7579584	-0.2057752	0.38491392	-0.004170197	-0.98886853	0.047206644	-0.48352674	0.3136707	1	0.1716632	-0.35153785	0.3435266	-0.45084137	-0.20138879	-0.7201755	-0.40949982	0.7704998	0.6876179	0.44858494	0.3704979	0.5944907	-0.2893049	0.73984593	-0.56126094	-0.15552308	-0.9564498	0.27742183	-0.49220377	-0.18438514	-0.3473332	0.06392546	-0.26727206	-0.3284261	-0.33314052	-0.17118151	-0.061788287	0.86146224	0.3236147	0.16269955	-0.9969182	0.8377149	-0.50877243	0.39923418	0.30095568	0.13009545	-0.075117126	0.2528187	0.9989929	0.22892538	0.9300186	-0.4893768	0.15487377	-0.20261596	0.36066505	0.31889707	-0.5270718	-0.18775612	0.35057318	0.20959175	0.15781634	-0.20347938	0.01669202	-0.66828305	-0.96692437	0.07969345	-0.9909025	0.58786446	0.8475254	-0.6607485	0.044845164	0.8809259	0.4998842	-0.056589194	0.22303264	0.23102409	-0.21577181	0.561953	0.06610317	-0.8287233	0.16133873	-0.5442448	-0.5016704	0.19699197	0.7758994	0.42265263	-0.6496795	0.29987216	0.87865007	-0.7522555	0.80720466	0.9998959	-0.30427113	0.10922359	-0.47612867	-0.6170955	0.05318649	0.36790633	-0.23056394	0.08864076	0.7989325	0.4815528	-0.36404407	-0.69117934	-0.5867462	0.3947242	-0.010221315	-0.9999994	0.040559378	-0.9770417	-0.74530715	0.9979456	-0.49369496	-0.12377391	0.8028114	-0.18618439	-0.5798487	-0.33892724	-0.039123103	-0.03428895	0.691739	0.1875216	0.4749266	-0.15309994	0.2519489	0.27139056	-0.660033	-0.40534222	0.78466433	-0.99767905	0.99999696	0.936026	-0.3359028	0.1419187	0.35913637	-0.09330673	-0.2564646	0.094165586	-0.48359394	0.05112658	-0.4193717	0.22679049	0.19944559	-0.22959933	-0.2188652	0.69519156	-0.61892873	0.16210487	0.9903147	-0.9747059	-0.27352646	0.25150895	0.4947197	-0.082272924	0.58016074	0.9989342	0.7604372	-0.2541975	-0.8604094	0.24098007	-0.03264967	0.65579027	0.9829237	0.25911498	-0.5185032	-0.37835655	-0.8864885	-0.48493546	-0.62949187	0.49437314	0.24538004	-0.12524247	0.9838124	-0.96409494	-0.58850455	0.09058501	-0.18880157	-0.3261687	0.43670353	0.6516834	0.921318	-0.048431557	-0.17950453	0.68908644	0.9997585	-0.64424044	-0.47399992	0.7486843	-0.33920756	-0.5176584	0.99997973	0.004955586	-0.03799372	-0.013349011	-0.26878217	0.07519351	0.090682074	-0.9995215	-0.3118259	-0.9498994	-0.80024505	-0.3447784	0.11612627
425	1	COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1	-0.4015629	-0.21382166	-0.12398102	0.16405095	-0.07699774	-0.5811556	-0.622614	-0.28275865	0.40386394	-0.70757467	-0.37717372	-0.18610772	-0.12027223	-0.03790609	0.75879484	-0.63180375	-0.63791066	-0.2730091	0.19542575	0.12162817	0.36809644	-0.17586939	0.6045112	-0.22689101	0.25859627	-0.125024	0.045692116	0.3931721	0.5801394	-0.58954936	-0.045924075	-0.44365636	-0.12771668	0.7994356	0.19307819	-0.027737597	-0.25444442	0.8452053	0.99682784	-0.8762283	-0.93608546	-0.21138836	-0.091107465	-0.027431054	0.06665926	-0.79152364	-0.05111575	0.49863315	0.9974881	0.37035576	-0.12952106	0.16839822	-0.50340486	-0.036786113	-0.9319186	-0.048214775	-0.6330696	-0.043729573	0.05459799	-0.3800044	0.14837661	-0.12852536	0.59294236	0.3570119	0.21834724	0.70508575	-0.8328109	0.000305749	0.3551054	0.66292095	0.67925143	-0.29027218	0.40413558	0.040671885	0.93013173	-0.6751699	-0.18727043	-0.42928177	0.044366878	-0.998525	0.28455648	0.06794379	-0.8039037	-0.5457992	-0.16745758	-0.923521	0.092139155	-0.22491437	-0.5792886	-0.57728046	-0.13117605	0.22687839	0.52663636	0.43156978	0.6699002	-0.45030785	0.80180097	0.12908669	0.29531112	-0.38982293	0.32550412	-0.13357238	-0.2869703	0.7941021	-0.9753149	-0.08654945	-0.23058565	0.7826181	0.9898116	0.029855318	0.29201987	-0.2513626	-0.35410756	-0.5233682	-0.7959904	0.41719636	-0.13507128	0.78436726	0.9954754	0.10892383	-0.19527018	0.46570635	0.43124786	0.034257423	-0.4229927	0.8607169	0.58368576	-0.557565	0.009571125	0.99997467	-0.4136284	0.2279945	0.19705752	0.009512681	0.4513162	-0.96549517	0.2537936	0.4198913	-0.4646997	-0.4971101	-0.9999444	-0.37417793	0.98386544	-0.18728559	0.47303417	-0.3051349	-0.5334453	-0.25701216	-0.6346353	-0.02465318	-0.02791617	-0.7973189	0.4635083	-0.6394745	-0.50354767	0.114560105	-0.43119866	0.6727956	-0.82456213	-0.8085477	-0.89169943	0.19852741	0.36727902	-0.06538812	0.6161701	0.50204694	0.1284687	0.68168676	-0.13455778	-0.46301848	-0.5687184	0.56827295	-0.35301316	0.24241835	-0.07577987	-0.96659124	-0.75936383	-0.001872562	-0.4631986	-0.27308893	-0.25949866	0.4672048	-0.49872488	0.68279564	-0.16397674	-0.27307212	0.91601145	0.31117764	0.43388656	0.14693038	-0.37969908	-0.17437041	-0.081678115	0.2869649	-0.2848717	-0.15777755	0.066967376	-0.68099445	0.6896275	0.26234537	-0.60754734	-0.6446757	-0.3611333	0.22975314	0.22650678	-0.4060917	0.27502227	-0.45252132	0.36394534	-0.9998476	-0.54327536	0.5118108	0.16484183	0.009463564	-0.025549423	0.26378986	-0.61071074	0.002051602	-0.015756106	0.006570698	-0.546868	0.06120671	-0.31786776	-0.45637962	-0.98178846	0.12199141	0.4671733	0.031497236	0.29989046	0.74614173	-0.34621632	-0.60546803	0.6897366	-0.23078553	-0.019714592	-0.40622386	-0.7265076	0.25415543	-0.25103125	0.4226373	0.85131115	-0.1472313	0.2920662	0.26664388	0.25721863	0.33148542	0.16457522	-0.030885829	-0.055594094	-0.7593773	-0.3564412	-0.9797118	-0.6329682	0.30465516	0.34051844	-0.10837944	0.33309966	-0.31451234	0.5440414	0.13692862	-0.2655489	0.38204733	0.3258435	-0.089964576	-0.42554882	-0.2779018	-0.16986796	0.14793247	0.8980419	0.44427177	-0.5705911	0.9752303	0.2746584	-0.6834312	-0.70156145	-0.5632729	0.015100552	-0.09030011	-0.10608198	-0.44371435	0.33988708	0.99788564	0.32395634	0.2080016	0.042546637	0.25407875	-0.59965104	0.9351739	0.9094811	-0.48846367	0.43819436	0.9741416	0.6163073	0.72704345	-0.004816605	-0.8421361	0.99994695	-0.9985213	0.4212998	0.3603935	-0.20833212	-0.69526964	-0.49150473	0.49154925	-0.4874478	-0.93833476	-0.63798785	0.27851686	0.71824706	0.2684076	-0.3751406	0.2099784	-0.3894087	-0.27169937	0.88809764	-0.50876987	-0.43119517	0.05341332	-0.9999424	0.4811254	0.099109665	-0.532252	0.5431752	-0.5774758	-0.18675873	-0.774892	0.6898459	-0.9269059	0.43166324	0.102892116	-0.31209514	-0.4879836	-0.24163905	0.19446747	-0.29465654	0.93354714	0.35342413	0.27400935	-0.5411351	0.5238072	0.031582475	-0.5961373	0.19070293	0.08160919	0.4073587	0.4381357	-0.5556365	-0.5680837	-0.5135355	-0.44997758	-0.9623603	0.11266413	-0.7097297	0.24052654	-0.18864647	-0.49916616	0.14069605	0.9998094	0.09778075	0.12662876	-0.17753476	-0.6640331	-0.30342543	0.11886401	-0.8940316	-0.517052	0.34296978	-0.002572166	-0.5998892	-0.049215466	0.11163166	0.07116353	0.33458668	0.27206734	0.5926138	0.9979772	-0.13198838	-0.15401514	-0.11436049	0.4109883	-0.5858162	0.58882236	-0.5170657	-0.5480176	-0.84105116	-0.17229837	0.61071444	0.22870608	0.12554061	0.22940414	0.1403887	0.3170894	0.37059677	0.4898506	0.33271748	-0.5110733	-0.65657747	-0.83691674	0.75840175	-0.6996757	-0.8010217	-0.005000039	0.23111649	0.18591966	-0.36485785	-0.645338	-0.40078163	-0.5269633	0.38058856	0.6453598	0.10391818	0.056675002	0.46879348	0.29462424	0.2419639	-0.39916468	0.9999997	-0.040286776	-0.9679619	0.681874	0.9988174	-0.19986238	-0.56523377	-0.99988323	0.19443367	-0.38366327	0.48878783	-0.24428006	0.17754935	-0.09528274	0.21319419	-0.6313833	-0.36836305	-0.39093584	0.22751407	0.25491503	0.0726422	0.1030957	-0.9999891	0.9901672	-0.7904371	0.07357017	-0.6834516	-0.31118715	0.60441595	-0.84497154	-0.77711666	0.32508266	-0.13341695	0.029513443	-0.7938882	-0.21149713	0.59669095	-0.457387	0.36466295	0.3255917	-0.17927445	0.16687524	-0.9998672	0.15717317	-0.05708952	-0.32243603	0.13945104	0.13100475	-0.99387974	0.030850274	-0.15641704	0.035935357	-0.13863105	-0.32066277	-0.18411487	0.9304116	-0.51403606	0.11395202	0.3863734	0.4272276	0.53680336	-0.6415292	-0.7165693	0.54761845	-0.36556268	-0.7452772	-0.97186303	0.1318603	0.39187175	-0.1173788	0.26739895	-0.16320704	-0.09698759	0.74558455	-0.5413884	-0.24392712	0.023592448	0.9740441	-0.12429992	0.08394455	-0.3473294	0.048115853	0.6130154	0.99951595	0.8571714	-0.05055239	-0.2735669	0.30358174	-0.108094215	0.18965642	-0.98794436	-0.23264976	0.7748444	0.054320123	0.2228926	0.1709795
426	0	COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C	-0.7683142	-0.20367289	-0.64225066	-0.012195957	0.6073102	-0.10418943	-0.056598794	-0.15007801	0.38139388	0.24206328	-0.48434976	-0.14180627	0.014389874	0.39000285	0.2809142	-0.8654688	0.059336405	-0.35537514	0.3611517	-0.26731437	0.06523319	-0.24165891	0.60495734	-0.21484166	0.3769061	0.6481164	0.4547109	-0.20426989	-0.11776065	0.31307426	-0.31546137	-0.5985676	-0.61729604	-0.3412176	0.41068015	0.27717268	0.23710717	0.47869453	0.99963933	-0.20048785	-0.8417617	0.2913795	-0.50343484	0.11995374	0.12949942	0.26994532	-0.32214588	0.2638986	0.8159355	0.70387584	-0.24912044	-0.72809356	-0.13813518	-0.038938615	-0.42877427	0.22086185	-0.6919428	-0.91718245	-0.05059412	-0.002463557	0.6362827	-0.13781719	0.72347385	-0.5223608	0.5743224	0.3386456	-0.24687585	0.45187658	0.33801842	0.60767823	-0.93495184	-0.90438706	0.63741153	0.026331093	0.8398573	-0.43570536	-0.005533547	0.6215191	0.04775087	-0.9991657	0.14040369	0.01606188	-0.93816715	-0.10685437	-0.55256075	-0.8893143	0.24876598	-0.7428005	0.4389259	0.21642727	0.056786023	0.108996496	0.5983646	-0.37979305	0.9990144	0.026505308	0.17750022	0.6344461	0.59117436	-0.47813225	-0.31753182	-0.031519804	0.23272873	0.8857154	-0.9988863	0.013715841	-0.52223784	0.011649711	-0.9700108	-0.6026939	-0.46891412	0.5734381	-0.59625345	-0.55040693	-0.57293093	0.3531898	0.5461128	0.31381583	0.9499578	-0.33099547	-0.47149873	-0.12542532	-0.2948394	0.66347384	-0.445143	0.8032552	0.5107072	-0.001964805	-0.19607371	0.9998197	0.08652124	0.2038767	-0.28180712	0.3886319	0.022583291	-0.98748195	0.62920135	-0.032868724	-0.7154511	-0.47815225	-0.99996686	-0.18110646	0.5748579	0.3655306	-0.36243513	-0.13949133	0.07344416	0.05685581	-0.9895736	-0.43233377	-0.014639674	0.51612675	-0.40895116	-0.48924357	-0.3681998	0.52285784	-0.24983948	-0.8296541	-0.87293214	0.46607727	-0.3690109	0.53842765	-0.2795045	-0.05395028	0.3314883	-0.29519364	-0.19914268	0.0740791	0.15569116	-0.23257343	-0.004378603	0.24655172	-0.35146877	-0.092292465	-0.4455976	-0.87376326	-0.5307916	-0.13100363	0.4447789	-0.37029743	-0.07713781	-0.7266137	0.16267274	-0.48117337	0.49579072	-0.7910396	-0.38325548	0.009277237	0.4168248	-0.6435652	-0.6304205	0.03861626	0.44401264	-0.001929341	-0.71934706	-0.29377374	-0.6339409	-0.7910838	-0.0442136	-0.7810852	-0.47575593	-0.6947507	-0.4666204	0.15614459	-0.67632896	-0.16766576	0.29325095	-0.10742425	0.2523134	-0.99988425	-0.10556259	-0.5140681	0.3866545	-0.40357882	0.24988753	0.17601196	0.47403684	-0.75305086	-0.15721603	-0.000860732	0.15068161	-0.73528105	-0.71535647	-0.2815085	-0.94634545	-0.18480591	0.29143935	-0.50835234	-0.4325883	-0.1430503	-0.14562318	0.5981549	0.7345973	-0.7640083	-0.2478719	0.21940812	-0.1198655	-0.001524384	-0.2710292	-0.12100123	0.72353244	-0.6567801	-0.36715227	-0.74496406	0.2635171	-0.5925713	-0.00103297	-0.057938293	0.3594733	-0.5735589	0.5995182	-0.9766203	0.5363862	0.44072083	0.4892122	-0.33330774	0.53695655	0.46303824	0.10414073	0.19480494	-0.43852317	0.6122874	0.24130638	0.28929275	-0.06634636	0.04418284	-0.27088258	0.014379433	0.92289734	0.14811519	-0.14666618	0.9800354	0.17121392	-0.22258593	-0.70973814	-0.8457188	-0.44472948	0.49352038	-0.7205291	-0.62941355	0.7573052	0.98893124	-0.45490775	-0.7445093	-0.23437622	-0.5998052	-0.39132157	0.6411297	-0.862812	-0.03553918	-0.64277923	0.31410632	-0.3780868	0.45550865	-0.2487046	-0.88383585	0.9999713	-0.98815197	-0.20678453	-0.24565566	0.090246975	0.025249427	-0.37262005	-0.64635265	-0.46573463	-0.7403459	-0.9930073	-0.45410627	0.92512834	-0.12587182	-0.48046777	0.01587141	0.41507164	-0.038260087	0.36030862	-0.38907555	-0.05990523	-0.5301605	-0.93191534	0.55531114	0.12880455	0.42840755	-0.027927129	-0.040923834	-0.013270331	0.5285841	0.5678749	-0.92236465	0.0949413	0.12437448	-0.7951307	0.1508811	-0.2384196	0.30254626	-0.20632489	0.5076801	-0.48968047	0.44247562	-0.49780762	-0.021045413	0.542859	0.3070496	0.7558754	-0.27162817	-0.48044872	-0.1218946	-0.07917204	-0.00768713	0.2750042	-0.9612023	-0.71084034	-0.33577785	-0.6341764	-0.017845336	0.11302005	-0.7835349	-0.011385181	0.99969244	-0.47426528	-0.6268411	0.04417138	0.15864637	-0.56728774	0.06878175	-0.92933464	0.6700956	0.4473064	0.53224903	-0.40174985	-0.7086935	-0.35966706	0.08012205	-0.17697388	-0.287989	-0.5402386	0.9945914	-0.029518235	0.24405292	-0.33322045	0.16573282	-0.08109284	0.2977691	-0.014542272	-0.37077472	-0.6162351	0.7168402	0.5687467	-0.11101071	0.45283914	0.31701982	0.3639733	-0.3011215	0.23977788	0.38975206	0.66797507	-0.8284392	0.17971341	-0.4554638	-0.028411342	-0.1694623	0.6852854	0.5509923	0.8055971	-0.24739927	0.70678383	-0.23856626	-0.019767696	-0.39971703	-0.5424722	-0.42838752	0.2967818	-0.15128987	0.2575279	0.38836658	-0.541666	0.564668	0.99983823	-0.64102495	-0.99073917	0.6486276	0.99969184	-0.11376546	-0.7732113	-0.9986829	-0.60194856	-0.609263	0.42055938	-0.008997473	0.45763236	0.24117279	0.63031787	-0.57697976	-0.1310123	-0.66298765	0.35976583	0.3566751	-0.3213445	0.6361124	-0.9999628	0.99502623	0.41668865	-0.5610912	-0.2575518	-0.55840296	-0.23207022	-0.8843932	-0.9124061	0.19287305	-0.20814094	0.24437664	-0.6628565	-0.46591243	0.5384153	-0.16675976	0.5516913	0.2691763	-0.18694063	0.9287177	-0.9996222	-0.02795499	0.26459518	0.26380336	0.43264925	0.36354214	-0.860113	-0.35737935	0.71356404	-0.08940131	-0.014982497	0.1660363	-0.5671639	0.96907616	-0.5836263	0.32244205	-0.3416004	-0.21111955	0.32626364	-0.14927173	0.2888229	0.6909986	-0.17396088	-0.49513415	-0.24468793	-0.22707109	-0.12267975	0.57507414	-0.6672765	-0.07228832	-0.29830316	0.79254216	0.27102813	-0.5743927	-0.014303199	0.9989243	-0.44558227	-0.117384836	-0.62028664	-0.48695862	0.5780606	0.9998233	0.78189224	0.24334435	0.707303	0.07367483	0.013022591	-0.14451145	-0.99773633	-0.4901323	0.05841632	0.5591648	0.5805097	0.43546498
427	0	COC(=O)c1ccccc1N	0.33924422	0.002726958	0.12960978	-0.14673875	-0.19385913	-0.1062785	-0.31129032	-0.21728955	0.036059264	0.072095744	-0.26349252	-0.46659973	0.28903753	-0.6305898	-0.10017458	0.6457226	0.07976039	0.31824642	0.18569675	-0.1924975	0.4119335	-0.8636714	0.4995621	-0.09433165	0.38295648	-0.26624388	0.5167221	0.025450537	-0.555896	0.097369306	0.25443733	0.10503142	-0.008768793	-0.016595459	-0.21844804	-0.33172163	0.30200928	0.5299652	-0.2310925	-0.81930816	-0.9926767	-0.102820456	-0.33842763	-0.32576036	-0.04495239	-0.99679726	0.28415927	-0.1515496	0.94338316	0.33734703	-0.093688905	0.17922996	-0.023558004	0.058606934	-0.95470214	-0.23516914	-0.6079142	0.9542876	0.463849	-0.16419527	-0.048174776	0.046692785	0.21336946	-0.46285754	0.6870943	0.6063816	0.025006762	0.13015337	0.0192929	-0.113552414	0.58878183	-0.99860114	0.29792458	0.2820732	-0.4285287	0.5634902	-0.86237717	-0.20496449	0.29678875	-0.9977541	-0.25087252	-0.0964011	-0.91209024	-0.33777007	0.3605106	0.81863517	-0.15921207	-0.23086734	-0.21486475	-0.2396312	-0.1912451	0.3792917	0.1681528	0.08151042	0.9678856	-0.3644743	-0.48874858	0.3179675	0.12921138	-0.14836629	0.46896815	-0.6271516	-0.016983414	-0.6872525	0.9614125	-0.73122615	0.71535355	-0.05234752	-0.4199212	0.40261242	-0.06625962	0.048305318	-0.2719702	0.2592242	-0.40129885	-0.23202161	0.45803747	0.24468978	0.9985946	-0.22556119	0.060040362	-0.43360233	-0.36422858	0.037063833	-0.0510934	-0.4420949	-0.61625236	0.016093152	0.1771179	0.9905587	0.038711455	0.46023718	0.04693585	0.1007476	-0.537783	-0.010712831	0.41140375	0.060352955	-0.6258375	-0.48458925	-0.9811542	-0.35162354	0.9509943	0.21254545	-0.07128484	0.24401844	0.384948	-0.035107866	0.99656147	0.029811496	-0.11525964	-0.5945386	-0.5422909	-0.24472216	-0.45048797	-0.24923085	-0.13019446	0.998978	-0.14623135	-0.88437754	-0.99220556	0.21464431	0.12922716	0.09420703	-0.41579893	0.11057114	0.15114324	0.5785407	-0.22884408	0.49053198	-0.6038911	0.080971025	0.050648168	-0.26648307	0.34596604	-0.9536467	-0.7785928	0.110208265	-0.44873807	0.025447339	0.31075668	-0.9675239	0.17237741	0.051667906	-0.8133705	-0.45754132	0.6947273	-0.19710642	0.15964086	-0.15506859	0.8352045	0.13518056	0.31075686	-0.012773017	0.3995369	-0.2594569	0.10041318	-0.58171207	0.019643957	-0.007938886	0.07922309	-0.0888126	-0.47769156	0.04816892	0.390703	0.23230651	0.37359658	0.3787764	0.26228857	-0.8975733	0.10728388	0.06543419	0.38505226	-0.12382685	-0.17580704	0.14054842	0.27270174	-0.018859716	0.53148735	0.20934366	-0.22335415	-0.43935516	0.088670135	-0.16123316	0.9866677	-0.25889248	0.07477441	-0.3749118	-0.060613595	-0.10621924	-0.22616504	0.026131365	0.6139148	-0.6696669	-0.02155472	-0.31189784	-0.6680858	-0.18315455	0.05419889	0.113193356	0.8874356	-0.16360836	0.21672426	0.004876979	0.5584427	-0.27586406	-0.35700417	0.5504108	-0.03452664	0.11495379	0.13401651	-0.99681234	0.14259747	-0.011546779	-0.038464043	0.055510048	-0.42954683	0.28467217	0.1697132	0.063075244	-0.27419442	0.34425634	0.15738127	-0.22005749	-0.000119697	0.3655647	-0.059837382	0.52080697	-0.94568276	-0.07424382	0.21610564	-0.89644766	0.04304782	0.24980089	0.116201624	-0.284697	0.20025627	0.3097941	0.3878983	0.7512849	-0.20322499	0.99892277	-0.22688548	0.21523502	-0.006274763	0.1300386	-0.46860445	-0.6855429	0.35600278	-0.506663	-0.22423498	0.9993428	0.45279345	0.87195253	0.12658872	0.1093474	0.995885	-0.3812692	0.29289174	-0.27198532	-0.07042623	0.5897395	-0.31685865	0.2522882	-0.040522892	-0.14068235	0.99756396	-0.22359586	-0.32306966	0.41160467	-0.16367017	-0.49571195	0.20117809	-0.36171255	-0.038174342	-0.36354113	-0.19862242	-0.50686246	-0.9964408	0.11391486	-0.11501524	0.5200597	-0.20818564	-0.45650527	-0.12113929	0.06254531	0.36239925	-0.84348667	0.115143806	0.09785991	0.3102448	0.33050853	0.06569489	-0.33228076	0.20113587	-0.79628986	0.015009465	-0.12003776	-0.6177358	-0.19482766	0.64843297	0.11952321	-0.1652851	0.77803415	0.51144505	0.48451334	0.4355394	0.11850296	0.020023575	0.9410046	-0.9946619	0.2571149	0.18647172	-0.18488628	0.14236192	-0.4787731	-0.20026617	0.99385446	0.39747328	0.025042979	0.30649593	0.098898925	0.39099357	-0.29347923	-0.36691442	0.044688843	-0.18661858	-0.6088689	-0.08074642	0.17822291	0.20099008	-0.5221843	0.27352518	0.9313844	0.03327936	1	0.035070647	0.3857523	-0.10381875	-0.12951499	-0.87312144	-0.6423686	0.014118339	-0.15381283	0.09207964	-0.5234718	-0.07946823	-0.39006183	-0.15309191	0.64775074	-0.020373298	-0.28462157	0.41649362	0.01700045	-0.27390093	-0.58400613	0.33718765	0.6862947	0.8189001	0.7660371	-0.56279325	0.25394213	-0.04854168	0.40632543	0.24205206	-0.23925233	-0.5493569	-0.004932292	-0.40182492	-0.17407396	0.007992148	0.53508484	0.03689592	-0.140371	0.6549903	-0.220257	0.9999802	-0.43268892	-0.98983	-0.5090331	0.99819726	0.3105697	-0.16780917	-0.99820787	-0.17478736	0.63037986	0.4857522	-0.1638258	-0.47196704	-0.36891085	0.26885158	0.8930838	0.19632286	0.16208974	-0.37814978	-0.52627116	-0.26630628	-0.3017111	-0.9996948	-0.9996861	-0.9946006	0.08811835	-0.41128355	0.42826423	0.35957184	-0.48479283	-0.85738516	0.40478694	0.13328327	-0.24574335	-0.7216007	-0.2867596	0.27895802	-0.31265563	0.6548066	-0.04222549	-0.71015483	-0.9900941	-0.99973595	-0.83198684	0.017091375	-0.41743836	-0.5389374	-0.10304144	-0.79864615	0.11953282	0.14976652	0.26053804	-0.05566327	0.25622374	-0.031606194	0.9437156	0.1467094	0.90990067	0.31756043	-0.0344841	0.30701223	-0.5012787	-0.13126671	0.52435493	0.34662077	0.857731	0.23864903	0.5394253	-0.052658692	-0.10371794	-0.43872413	-0.44834805	-0.36668566	0.6594029	0.2549365	0.39559767	0.3457379	-0.89826214	0.33974206	-0.26287153	-0.28065675	-0.39539972	0.27075854	0.9985138	0.031231277	0.22647673	-0.017967263	0.5174522	-0.014007875	0.17302905	0.6118311	0.041175533	-0.59906936	-0.23724583	0.5978058	0.0678048
428	0	CC(N)(Cc1ccc(O)c(O)c1)C(=O)O	-0.82078254	0.36913332	-0.25250494	-0.2865571	0.02556336	-0.81490713	-0.29324028	-0.05098244	-0.03555573	0.37515905	-0.58585435	0.31267345	-0.38454685	-0.62398434	-0.111116484	0.8437457	-0.4059497	-0.64435	0.17189234	-0.23176605	0.25089562	-0.7162431	0.61643445	-0.69733435	-0.71146387	-0.19271995	-0.023244517	0.36688596	0.5016338	0.4389978	0.37447295	0.24509165	0.52220994	-0.50073224	-0.13023253	-0.65400934	-0.13128823	0.09543343	0.91404676	-0.21038188	-0.6334114	0.018113267	-0.03792021	-0.47353512	-0.05168818	-0.9849996	0.054350033	0.09325462	-0.49862328	-0.053268943	0.60793555	0.6839177	0.2842591	-0.39397478	-0.5919984	-0.08910664	-0.42206538	0.79050225	0.256318	-0.48326007	0.27991188	-0.6126137	0.33354044	-0.22553623	0.44547388	0.3044345	0.4118953	0.17388406	-0.12856117	-0.26453283	-0.964013	-0.9991927	-0.07833623	0.61487573	-0.5212789	0.5237119	0.29690602	-0.31474727	-0.005819344	-0.99835974	-0.990427	0.38972923	-0.9296699	-0.257727	-0.040240284	0.65351635	-0.12790795	-0.08721376	0.13989647	-0.45020717	0.06155787	0.03995438	-0.01889688	0.003621976	0.99917233	-0.20990817	-0.9367698	-0.45975414	0.616612	-0.19955866	0.48264614	0.25076872	-0.08127025	0.41754586	-0.00833182	0.08924941	0.31772634	0.18960191	-1	-0.5707003	-0.4555015	-0.2061637	-0.54309076	-0.19665124	0.20835617	0.3480424	-0.39912173	0.09142349	0.999509	0.23927234	-0.2525786	-0.28021097	-0.5910674	-0.3891717	-0.49438706	-0.36106128	-0.7750444	0.024738075	-0.26206407	0.96712244	-0.23836856	-0.42062676	-0.1872311	0.2658806	-0.101590596	0.8141636	-0.33696356	0.47227022	-0.74369013	0.30683056	-0.9975151	-0.16136007	0.8261475	-0.1809972	-0.29498097	0.1898369	0.20270988	-0.2291446	0.88293093	0.2700312	0.6762119	-0.677371	-0.11033735	-0.11214234	-0.10929971	-0.32062075	-0.63579226	0.9912005	-0.7912603	0.55597544	-0.9916106	0.07249095	0.15680489	0.36024854	-0.27536845	0.5475728	0.7032731	0.57077354	0.06451049	-0.27420953	-0.5304723	-0.33558816	0.23879233	0.15123004	-0.062049072	-0.9656613	-0.5695569	-0.11676328	-0.41947123	0.3628955	-0.02555801	-0.9971106	0.5286731	-0.20506208	0.47257936	0.2550527	-0.35278252	0.4324515	0.40545842	0.10670738	0.8931593	0.3555206	0.42632738	0.28163955	-0.022733785	-0.42972535	0.56217813	0.9740847	-0.72204095	-0.52675307	-0.62095183	-0.33558124	-0.18793517	-0.035921257	0.45866603	-0.4401206	0.1022713	0.57340395	0.39272776	-0.9980409	-0.38319224	-0.40322763	0.008906494	-0.3149388	0.33315566	0.361224	0.5368609	0.75555754	-0.20605962	-0.16030878	-0.10698584	-0.3146777	-0.18481015	0.017516177	1	-0.5748637	-0.68118554	0.688232	0.12921052	-0.094024375	-0.21823518	-0.5023535	0.52066594	-0.12667269	-0.010458803	-0.49863273	-0.5836029	0.18178372	-0.013487353	0.2856023	0.789221	0.69854915	-0.33262894	-0.71649617	0.36354464	0.5179035	0.064937025	0.54769105	0.7018399	-0.15965097	-0.68437284	-0.9987902	0.35251227	0.3654215	0.0329322	-0.24083428	-0.29481888	0.03106378	0.015599484	0.1781885	-0.5103606	0.6637411	-0.3800598	-0.429675	0.52633965	0.023149062	0.34024972	0.38239196	-0.99582005	0.2841521	-0.58675814	0.686479	0.30731738	0.33962074	-0.22072034	0.50027144	0.22932877	-0.18265137	0.44236895	-0.21354246	0.53164464	0.9995938	-0.3456722	0.1109116	0.05019531	-0.09512149	-0.3596491	-0.987958	-0.9917529	0.14557329	0.406181	0.9987412	-0.3137257	0.56322557	-0.530413	-0.5338351	0.9990709	0.05402681	-0.24001186	0.21453696	0.26299548	-0.63869363	-0.63242817	0.002792161	-0.0705765	-0.5620293	0.89464194	-0.3922129	0.049624316	0.12037081	0.5634994	0.24790782	0.082367264	-0.4744075	-0.8321959	-0.22358172	0.467904	-0.21804549	0.99999976	-0.18921967	0.2435516	0.52326345	-0.09706087	-0.111797914	-0.65592664	-0.19975811	0.32248065	-0.45382097	0.49629962	-0.41517216	0.78372186	-0.33632475	-0.14983144	-0.49391973	0.12517926	-0.9356758	-0.12540194	0.16712208	-0.15965536	-0.10918826	-0.23917654	-0.069338955	-0.2996585	-0.26469988	-0.7031572	0.07726451	-0.3917921	-0.4145666	0.04042795	0.6789732	-0.9861013	-0.4637381	0.30349803	-0.11087951	-0.6066069	-0.23281956	0.43948248	0.9996806	-0.22341356	0.83472264	0.49674618	0.66655165	0.030448226	0.5016007	-0.43590343	0.52759314	-0.16714959	0.3292145	-0.19795115	-0.11884713	0.561055	0.5054413	0.24313295	0.61977404	0.44361573	1	0.32692918	0.09114553	0.06156139	-0.06405765	-0.57696015	-0.27245218	0.13840444	-0.2965755	0.50985205	0.12375619	0.52758163	0.6104678	-0.5153182	0.64492875	-0.37366614	0.2650407	-0.027237525	0.6977485	-0.66365534	-0.3911226	0.16790856	0.7430922	0.30716068	0.80340075	0.56251186	-0.7265633	-0.12756658	-0.6151606	-0.37755364	0.16321428	-0.4125136	-0.78235644	-0.46641994	0.2589442	-0.15030447	0.742936	-0.08428956	-0.04837694	0.5139355	-0.35390788	-0.9999116	0.5343707	-0.98954654	0.07568007	0.9999195	-0.5693141	-0.49280605	0.6110518	-0.19127329	0.8265472	-0.1598711	-0.05284781	-0.2636338	0.8986029	-0.68369186	0.66786	-0.22719853	0.01479815	-0.30025712	-0.5719475	-0.001489991	-0.48735368	-0.9999807	-0.9979889	-0.9853928	-0.110872604	0.19313096	0.77718884	-0.4936382	-0.82343274	-0.50470483	0.14546193	-0.023722842	0.0837312	-0.49373853	-0.22668791	0.20354718	-0.17884906	0.372825	-0.48212078	0.5839977	-0.9174984	-0.99997103	-0.48972026	-0.28756127	0.044079766	-0.012652943	-0.000565536	0.34534943	0.531311	-0.41380388	-0.53711253	0.33932033	-0.2698166	0.6225983	0.93064076	-0.3690848	0.44954127	-0.7927398	-0.10608993	-0.17537588	-0.9549791	0.3310356	0.023374034	-0.37741363	0.9185774	-0.044624478	-0.04972961	-0.4323113	-0.7616006	0.4601232	-0.14586414	0.24437559	0.65614915	-0.76173955	-0.19259486	-0.17922778	0.4123037	0.16932182	0.14897525	0.61736697	-0.42266145	0.6110439	0.9999854	0.085037425	-0.22142924	-0.35402164	0.06831875	-0.03430368	0.11457131	-0.90007895	-0.2143731	0.31924856	-0.38886642	0.5261714	-0.5766814
429	1	N#CSCSC#N	0.3770388	0.43119377	-0.24479961	-0.39289942	0.48887163	-0.48018026	0.25601405	-0.7131326	-0.18810554	0.13329078	0.2125686	-0.36009696	0.13847518	-0.3681511	0.4469196	0.5181645	0.102256075	0.44053316	0.72889346	0.4732262	0.7041103	-0.4089644	0.19604222	0.0904689	-0.07272023	0.69958484	-0.20396839	-0.23205537	-0.2681297	0.1570098	0.54118806	0.4356073	0.48676646	-0.19464487	0.006429986	-0.30614698	0.35828784	0.38028973	-0.9454783	-0.9299342	-0.9269461	0.09405267	0.088210516	-0.30752307	-0.4367346	-0.98999405	0.37154025	-0.65055513	0.9936428	-0.061914366	0.12988959	0.4779769	-0.57001656	-0.12500884	-0.80392367	-0.28911427	0.56158805	0.9758073	0.07237072	0.13124433	-0.20474975	-0.2794672	-0.019279966	-0.23876119	-0.6621184	0.1739378	0.3510738	-0.38430867	0.10760563	-0.1275529	0.66160005	-0.9981903	-0.84364814	0.6993239	-0.15076485	0.2829227	0.6766476	-0.7491255	-0.23317212	-0.99986684	0.005098268	-0.7758668	0.29661635	-0.16676742	-0.32961002	0.93400276	0.13629058	0.2652352	-0.48474544	-0.24416576	0.047243193	-0.17653243	-0.016749289	-0.31678343	0.98026544	0.5635761	-0.8860816	0.66453266	-0.029501768	0.6009858	0.16231816	-0.76708615	0.5365678	-0.79822576	0.99449587	-0.8419094	-0.08430866	0.5395046	0.9918339	0.41475248	-0.8143324	-0.26357934	0.074299775	0.95410645	0.36620086	-0.6326831	-0.18071853	0.012762802	0.9969686	0.14210995	-0.38322532	0.32857606	0.23727547	0.5355138	-0.14195861	-0.16080044	-0.7352107	0.03517398	0.22213542	0.954473	0.5719057	-0.44288042	0.46563748	0.2922051	0.00245405	-0.8448519	-0.78266805	-0.6606613	0.664375	0.09801857	0.99803424	-0.055667263	0.91641027	-0.28710994	0.21408191	0.3975571	-0.29479024	-0.13987967	0.99471986	0.49295756	0.38528642	-0.6329769	-0.06854733	0.13868096	0.13717546	0.030772112	0.44988576	0.9993897	0.40539375	-0.93633753	-0.97968984	0.13354361	0.40546355	0.17368728	0.27957335	0.0821934	0.047177892	-0.5120722	0.02544584	0.82156247	-0.316043	0.3048567	0.19895409	-0.031331774	0.6464669	-0.63662916	-0.7726485	-0.27051806	-0.63965374	0.0621432	0.38764513	-0.91052777	0.38892788	-0.23172402	-0.8695652	0.4037743	0.5144592	0.082589	-0.7844563	0.48290652	0.21985465	0.37298825	0.42888036	-0.22135934	-0.5491143	-0.35591698	0.21861106	0.19456634	-0.61918396	-0.25532255	-0.6276687	-0.75045204	-0.11448709	0.3475311	-0.61958086	-0.46035004	-0.37069604	-0.4803784	0.3692013	0.6688358	0.34503284	-0.031297136	0.24997297	-0.21471345	0.23606823	0.4110425	-0.65295935	-0.27703372	-0.5297289	0.20471174	-0.668126	-0.50253433	0.636504	0.36553815	-0.8515729	0.34702557	-0.50464284	0.17228761	-0.34671697	-0.27500463	-0.09563179	-0.4700964	0.11855794	0.16199401	-0.27556992	-0.41363212	-0.58852905	0.3824896	-0.3100341	0.19146852	0.80335253	-0.7688454	-0.04170706	0.66179866	-0.19030334	-0.1617311	0.6754754	0.4169948	-0.23483574	-0.32885748	0.21946536	-0.9991534	-0.00925314	0.7527996	-0.7179326	-0.2802494	-0.32013282	0.30237967	-0.13567777	0.13817948	-0.33342445	-0.18121386	0.021500517	0.5417029	-0.13453658	0.45997962	0.2772329	0.09261275	0.60343736	0.154531	0.4315697	0.94007367	-0.54070044	0.46422663	0.3199693	0.943503	0.030458538	-0.6577752	0.0677692	0.9089629	0.089403175	0.9966722	0.03296411	0.7595155	-0.5008391	0.5931623	-0.37356344	-0.2228552	0.82086873	0.22032052	0.0382042	0.9989388	-0.32713968	0.73614633	0.6774508	0.570541	-0.9929003	0.30168682	0.5990913	0.12302927	0.44805393	-0.05330702	0.5080292	0.25929025	0.066438615	0.48845288	0.9996497	0.52835244	-0.3279816	0.36794296	0.6456304	0.30882892	-0.04793389	0.3275629	0.3189472	0.69839585	0.25678673	0.6243724	-0.9998862	-0.5953939	0.10893462	-0.3327404	0.026411112	-0.6327194	0.69751	-0.18409193	-0.15680645	-0.07708236	0.52033025	0.17753749	-0.25467193	-0.15770787	0.39913744	0.66647565	0.3912199	-0.7086539	-0.4461409	-0.54815793	-0.07918013	-0.8024802	0.40658134	-0.42434523	-0.39163533	0.7952185	0.16690463	-0.44180208	-0.51018673	0.7434843	0.08263472	0.9800301	-0.98705536	-0.45386443	-0.26985404	0.815153	0.46287215	0.7310214	-0.4368239	0.85079163	-0.5584285	0.64481175	-0.5712607	-0.055218995	0.6421026	-0.23660724	0.30638018	-0.44635215	0.25984645	-0.4164871	-0.39073923	0.49025217	-0.073737085	0.08696078	-0.2466705	0.875464	0.312555	1	-0.12551154	-0.013502265	0.45624855	0.107169285	-0.90098083	0.71532595	0.787066	0.089484766	0.7390503	-0.42359233	-0.19549266	0.44958177	-0.7057629	0.28044388	0.3559022	-0.66393656	-0.4949068	0.018527968	-0.23594736	-0.48925307	0.79213136	0.86114097	0.016252672	0.04049531	-0.5680918	0.046244815	0.67825633	-0.31612596	-0.356976	0.25504115	-0.7151118	0.8895516	0.8254481	-0.004000062	0.6586331	0.23878767	-0.2714093	0.13485573	-0.049168468	-0.040235337	0.9999996	-0.3852539	-0.1660898	0.115213044	0.90660423	-0.4900121	0.163706	-0.99991196	0.3354598	0.12627946	-0.18714859	0.36492115	-0.66636294	-0.14813629	0.06083427	0.9008861	-0.09342951	0.63293594	-0.3583193	0.559743	0.16344717	-0.62388366	-0.9995649	-0.99999964	-0.9962324	-0.6781963	-0.15138102	0.11271055	0.061217647	0.42514136	-0.001957213	0.19827828	0.88422114	0.3869969	0.16076092	0.67820174	-0.004926673	-0.4300894	0.14847524	0.061227378	-0.11253706	-0.99705535	-0.998775	0.59298384	0.6468094	0.3016571	-0.40097338	0.6493751	-0.47254094	-0.504435	0.7004364	-0.4422879	0.17847885	-0.38777888	0.39695588	-0.78118443	-0.33514515	0.66348064	0.5582258	0.16153163	0.4859	0.21218064	0.1665651	0.27526084	-0.48253685	0.95405024	-0.9831632	0.15262558	0.1712639	-0.011046254	-0.3364367	0.7142703	0.63129324	-0.13469718	0.4289168	0.51871926	0.29475912	-0.99480176	0.8143088	0.32499197	-0.39483118	-0.08883254	0.47647607	0.99980766	-0.66845614	0.5511589	0.70638627	0.515885	0.5939898	0.43791595	0.94282776	-0.09838691	0.369241	-0.6469365	-0.12337365	0.38523582
430	0	C=CCc1ccc(OC)c(OC)c1	-0.28930023	0.066248864	0.19231273	0.22198787	-0.13275291	0.21897514	-0.058916807	0.18982257	-0.31148535	0.067143776	0.08835499	0.02368256	0.039222434	-0.546875	0.017506775	-0.408754	0.2122184	0.38694757	0.12577172	0.07221252	0.23211037	-0.71960527	0.5772181	0.21636558	-0.54432034	-0.24189432	0.27471715	0.53837293	-0.34931365	-0.53682864	-0.4553379	-0.010669682	0.53456986	0.33610636	-0.3311883	0.002648619	0.009637176	0.5706936	0.5704106	-0.907683	-0.9957443	-0.58556736	0.12617567	-0.32530907	0.30105656	-0.992829	-0.4101758	0.58232963	0.9643047	0.4506959	0.6355822	-0.13122153	0.02151318	-0.14801285	-0.90311354	-0.06074433	-0.29401514	0.9036974	-0.15366742	-0.04278936	-0.25586295	-0.09995513	0.055377364	0.08351277	0.11139176	-0.0649868	-0.40417957	-0.06600816	0.36803415	0.0537352	0.8045567	-0.99295586	0.2541459	0.31098372	0.5397573	0.11821651	-0.035987563	-0.033441592	0.34574887	-0.9987845	0.38356626	-0.006227941	-0.85603935	-0.12568377	-0.13852923	0.33042845	0.16401991	-0.18797716	0.53874654	-0.2998129	0.19844438	-0.2412386	-0.011573811	-0.14326179	0.7744272	0.04949533	0.64586943	-0.6365749	-0.04866322	-0.21751219	-0.003447886	0.57173043	0.46088126	-0.58956957	0.7884621	-0.5281424	0.22127868	-0.005466999	0.97941023	0.22073047	0.54889786	-0.23061621	0.21459492	-0.28662935	-0.3539356	0.6552319	0.14773682	-0.15130424	0.9992764	-0.13604309	0.31959102	-0.45178112	0.05508022	-0.2572249	-0.041890934	0.66824675	0.2056375	0.0494285	-0.22976387	0.9983628	-0.4713736	0.06348483	0.003268666	-0.32191262	0.2942343	-0.90468085	0.251836	0.266235	-0.8009955	-0.23428445	-0.99246037	-0.10191822	0.9920755	0.53710395	0.42202967	0.5509572	0.050429236	-0.193742	0.98044705	0.30163643	0.5485367	-0.80467343	-0.014831303	-0.117093444	-0.09386433	0.11276427	-0.6973832	0.9981866	-0.5726778	-0.8949207	-0.99247915	0.4129587	-0.108425155	0.14065386	0.25666738	0.72125417	-0.09207589	0.3477939	0.10499575	-0.44322664	-0.5399833	-0.032790396	0.011663938	-0.2621275	-0.12590824	-0.95951897	-0.77761686	-0.63149744	-0.7711755	-0.22989884	-0.36935392	-0.14716843	-0.3621985	0.37509176	-0.8704863	-0.4298801	0.40578213	0.1611208	0.059882496	-0.12325113	0.47134134	0.11923449	0.28842813	0.19204605	0.16513152	-0.080961406	0.26849976	-0.85778767	0.46603468	-0.39935076	-0.46584758	0.02329646	0.37650627	0.64375776	0.30132788	-0.5550091	0.43180105	-0.537885	0.3302399	-0.967626	-0.49648482	0.06994764	0.21769506	-0.37843373	-0.03607716	0.7943051	0.22847232	0.34801713	0.2856346	0.6942533	-0.08490341	-0.41189253	-0.27701223	-0.5044971	-0.85697603	-0.07990619	-0.17373231	0.30560735	-0.20564945	0.00208111	0.46128327	-0.50317955	0.6400893	-0.17920063	-0.36650458	-0.46380714	-0.4397906	0.015189153	-0.13871107	0.047656167	0.93668807	0.21172234	-0.38562208	0.026008155	0.49460876	0.42870823	0.056881197	0.53745717	-0.11845769	0.068311416	0.027664103	-0.99852943	-0.332841	-0.07341411	0.3321208	-0.23422456	-0.17648774	-0.076714255	0.089113496	0.11311132	-0.3630531	0.25736314	-0.6580791	-0.07587642	0.18679681	0.13016734	0.17952815	0.30476034	0.4718023	0.6106185	0.007754192	0.15834936	0.38898107	0.07527581	-0.20880106	-0.7788226	-0.12827583	-0.115335375	0.2661127	0.5153284	-0.10453429	0.9994404	-0.10377084	-0.054031342	-0.029978672	0.20936346	-0.013127791	0.26244187	0.97675747	0.37775224	0.43856454	0.9993038	0.117697865	0.9125586	-0.32318822	-0.13823515	0.9981627	-0.95154935	-0.20176727	-0.47631478	-0.44211245	-0.030429764	0.06283157	0.37412116	-0.015178639	-0.6335851	0.99055904	-0.2989651	-0.35735053	-0.017099941	-0.5031648	0.31657073	0.4468278	0.2171058	0.824845	-0.105644606	-0.4350459	-0.030760258	-0.99993014	0.3780558	0.43036777	-0.22268808	0.23048873	-0.51101065	0.022045266	-0.04054962	0.028386293	-0.8446025	0.18886718	-0.41635215	-0.31124195	-0.4346859	-0.15940076	-0.3927712	0.05592301	-0.25849518	0.20690747	-0.039141946	0.18117757	0.22902828	0.2974268	0.05868046	-0.022163926	0.59566456	0.3493601	0.29961205	-0.31025016	-0.26619685	-0.18945478	0.9154132	-0.9940409	-0.3958533	-0.68803316	0.08147722	0.005742415	-0.22489697	0.34650275	0.99816555	0.12273658	-0.22268903	0.3635804	0.7389931	0.12387741	-0.27187085	-0.70599896	-0.31350932	-0.3911597	-0.18310255	-0.417774	-0.16247924	0.48559788	-0.23993862	0.13142858	0.8835888	-0.123058625	1	-0.43293694	0.018771272	0.1057047	0.21018526	-0.9177438	0.29292166	-0.36523753	-0.22285827	0.26302958	-0.07151634	-0.22443664	-0.27049327	0.3153285	0.64952135	0.38708913	0.41784382	0.20956668	-0.5300752	-0.08133525	-0.65378577	0.4175319	-0.18153463	0.81509656	-0.15044138	-0.9046925	-0.24802728	-0.3649412	-0.37754855	-0.21108772	-0.5744511	-0.051114373	-0.4091202	0.22927918	-0.024075283	-0.030676048	0.4546778	0.056397073	-0.68761206	-0.10176161	-0.3979981	0.9999998	0.3668731	-0.9679052	-0.43405938	0.9995253	-0.08627815	0.29565668	-0.9998632	0.18943943	0.05857672	0.38772777	-0.16734636	-0.16468456	-0.063263595	0.040466473	0.45918152	-0.37798208	0.19686842	-0.2922507	0.104385175	0.32399976	0.0908251	-0.9999297	-0.99933463	-0.99153733	-0.09307614	-0.4113142	-0.34666362	0.44673878	-0.1800679	-0.81354684	-0.19446605	0.56198364	-0.1072322	-0.75847054	-0.4166367	0.5294028	0.32681715	0.32873535	-0.36535254	-0.68042773	-0.97586304	-0.9999129	-0.2550555	-0.44328293	0.16480766	0.36748183	-0.2223173	-0.976634	0.009709179	0.21148309	0.13193646	0.015937578	-0.57611454	-0.17839864	0.9326172	0.0000487	0.6293334	-0.033599492	0.45426464	0.56267756	-0.71395093	0.007786213	-0.21333888	-0.42390072	0.32749158	0.30994093	0.30167243	-0.02436004	-0.48284885	0.029918212	-0.4912647	0.001060298	0.46985593	-0.5192813	0.033136185	0.26826888	-0.6502118	-0.5344712	0.38562244	-0.317009	0.21271391	-0.016945325	0.999037	0.5850872	-0.0161973	-0.37865534	0.030538354	0.111071005	-0.166447	-0.032923374	0.03608885	0.17337671	0.1531871	0.49424776	0.19137637
431	0	COC(=O)c1ccc(O)cc1	0.29014334	0.013734972	-0.08433238	0.23778822	0.08257503	-0.051962636	-0.49277326	-0.17092463	-0.18983097	0.14990097	0.000299521	-0.45690167	-0.12374226	-0.700908	0.17849012	0.6937391	-0.041847978	0.11219084	-0.16552281	-0.018084096	0.37235707	-0.8419203	0.4503441	0.010047698	-0.19637379	0.33520442	0.4226278	0.023311974	-0.05046382	-0.16127998	0.008903176	-0.090057164	0.1901914	0.2612971	-0.005002464	-0.3815131	0.20659512	0.5132018	-0.22768117	-0.87818867	-0.99796474	-0.08426737	-0.025477413	-0.42649767	0.29670513	-0.9964225	0.3622896	0.062331285	0.9848007	0.3732972	0.3529734	0.053439975	-0.43022478	0.29154205	-0.91708744	-0.067991965	-0.51890665	0.9614052	0.4030592	-0.16319919	-0.33719426	-0.4104603	0.5436873	-0.44385695	0.23031005	0.5310085	0.116718	0.2236988	-0.035374522	0.30065653	0.7291084	-0.9988115	-0.0025135	0.38091725	0.16147292	0.7667438	-0.6414143	-0.21249063	-0.03811802	-0.999214	-0.68891317	-0.23899917	-0.87550443	-0.393022	-0.016714241	0.7894366	0.1937045	-0.2660186	-0.23495571	-0.45549074	-0.061050355	0.05877411	-0.11805523	-0.18130195	0.9548205	-0.33802387	-0.38184834	0.21804059	-0.008973819	-0.002420427	0.22795047	-0.3046555	-0.046628263	-0.4594899	0.94791424	-0.6128585	0.66133165	0.3885336	-0.8421704	0.41459155	0.003021291	-0.40161508	-0.35868198	-0.10520974	0.09791141	0.24357265	0.2941933	0.20413682	0.9993974	0.005311073	0.06112914	-0.11480029	-0.36753157	0.25216746	-0.49001694	-0.080611385	-0.32238007	-0.29801598	-0.35980302	0.99066305	0.16056733	0.020884495	-0.13880111	-0.15770783	-0.6850894	-0.31021038	0.46202576	0.09768567	-0.655083	-0.405136	-0.99597096	-0.3819543	0.9628177	0.47362375	0.1472464	-0.2535549	0.17720528	-0.3508475	0.99530715	-0.045113236	0.2543472	-0.66536	-0.08766706	-0.16458033	-0.42473578	-0.24451002	0.14590633	0.99926317	-0.25733086	-0.7564087	-0.9958712	0.34723774	-0.00635178	-0.011475881	-0.10933412	0.12144362	0.09710493	0.51784784	-0.3549172	-0.3557349	-0.49655503	0.1496494	0.29943633	-0.24156593	0.18562596	-0.9796824	-0.78601027	-0.17235202	-0.6739237	-0.33950913	0.4133875	-0.9182799	0.05859974	0.4168282	-0.8757457	-0.09968297	0.71957433	0.22238258	0.007665053	-0.188991	0.74856323	0.12894891	0.37075585	-0.28302315	0.10291827	-0.38676587	-0.008279616	-0.65238297	0.10369384	0.003685072	-0.5772006	-0.23306516	-0.50427234	0.19556734	0.13015191	0.015010699	0.44172627	0.25298285	-0.1645939	-0.8539505	-0.27878702	-0.0626758	0.2691903	-0.35964003	0.013985954	0.5049264	0.013392948	0.036095425	0.17689857	0.36984745	-0.39752352	-0.009828333	0.35292438	-0.3325386	0.99920607	-0.09129658	0.08238088	0.21215165	0.02084413	-0.036913782	-0.5478053	-0.4046369	0.71991724	-0.3746605	-0.25961018	-0.40246448	-0.44413555	-0.32859823	0.20251635	0.3916571	0.8808973	0.12465854	0.07529794	-0.43879402	0.44523135	0.11410575	0.1213732	0.47589314	-0.3366601	-0.14138378	-0.0916566	-0.99766093	-0.10471814	0.29663894	0.16606256	-0.2417682	-0.59518474	0.40007943	0.47590342	0.25134274	-0.35878822	0.42740187	0.428732	-0.22841652	0.30797932	0.14508122	0.26825646	0.67454785	-0.4725735	0.18325785	-0.07756381	-0.9241668	0.33819646	-0.11427886	-0.2825923	-0.40720242	0.21841066	0.5866658	-0.19589116	0.68040234	-0.17554413	0.99949926	-0.43889746	0.32021937	0.10716628	-0.060518447	-0.26504493	-0.82182324	0.40860742	-0.125912	0.28713757	0.9996565	0.17205776	0.8007737	0.27984458	0.36150908	0.9978867	-0.48128313	0.404304	-0.14245245	-0.15404665	0.19975038	-0.3228783	0.4165453	-0.058926124	-0.33668736	0.9980147	-0.1383278	-0.2923827	0.3101743	-0.2018515	0.18925591	-0.012353558	-0.32010376	0.118749306	-0.24417378	-0.32650536	-0.23988752	-0.983376	-0.011394053	-0.022407942	0.14575012	0.1230671	-0.5525726	-0.011877968	-0.11584225	-0.05235231	-0.86092544	0.1327024	0.06443091	0.1164563	-0.042476505	-0.00830451	-0.22060004	0.07145237	-0.8077555	-0.04372236	-0.36574432	-0.4933478	-0.22966293	0.53869027	-0.09669203	-0.029346345	0.8134508	0.2164944	0.17497815	-0.1313075	-0.20749074	0.005785361	0.9504025	-0.9955105	0.074451506	-0.53651536	-0.3353213	-0.13965735	-0.33144763	0.37992242	0.98951906	0.26363665	0.22576442	0.35435352	0.4609038	0.046272807	0.078636415	-0.37534145	-0.18716303	-0.06802048	-0.4606144	0.04220531	0.4230735	0.29313084	0.26546252	0.19530043	0.9546606	0.47394526	1	0.275438	0.25574124	-0.17598413	-0.6025713	-0.9111143	-0.60143304	0.12584284	-0.45056158	-0.003405606	-0.47676367	0.71194047	-0.18256266	0.029212782	0.6308607	-0.13323075	0.31144348	-0.02099057	0.09889413	-0.23737465	-0.3060877	0.060175847	0.679957	0.7789793	0.758004	-0.58313197	-0.06562696	-0.1416008	0.119546495	-0.090073995	-0.17206345	-0.60167444	0.1749787	-0.6258313	-0.27772537	-0.36657122	0.3048084	-0.2202401	-0.16169706	0.64076084	-0.346245	0.99995685	-0.26486877	-0.9880149	-0.2931791	0.9989471	0.003685875	-0.10050062	-0.9969163	-0.030592566	0.4421149	0.464857	-0.014736635	-0.72891474	-0.008495813	0.39040446	0.87528616	0.030835422	-0.33145222	-0.14637958	-0.10598786	0.073793285	-0.1070463	-0.9999436	-0.9994843	-0.99473584	-0.058200434	-0.03202891	0.12611142	-0.12223828	-0.17480896	-0.79266363	-0.003451704	-0.16354118	-0.045808908	-0.7527931	-0.4712343	0.4019536	-0.34786826	0.5643181	-0.13796724	-0.43241853	-0.9926513	-0.99992996	-0.5690184	-0.2071251	-0.19832027	0.10647364	-0.10821137	-0.8641023	0.29065844	-0.4573994	0.1658324	-0.17315531	0.03586605	-0.25683185	0.92435956	-0.095640086	0.92016	0.2652382	0.39344093	-0.02173593	-0.52286106	-0.22948389	0.110793285	-0.327978	0.764866	-0.13378546	-0.23904945	-0.1263768	-0.45989046	-0.14378726	-0.5906582	-0.04315156	0.47132713	-0.3349402	0.20993483	0.50292456	-0.9068582	0.3135163	-0.33321506	-0.20755836	0.00000773	0.33884498	0.99965036	0.0920909	0.29053256	-0.31257284	0.4213815	-0.2895877	0.026272098	0.612365	-0.14466298	-0.17366318	-0.38589114	0.69136107	-0.22310917
432	0	S=C([S-])NCCNC(=S)[S-]	0.3284931	0.6861588	-0.450563	-0.61083364	-0.17811182	-0.19878891	-0.01117791	-0.39102882	-0.55550325	0.00279786	0.000881832	-0.4687402	-0.24847414	-0.06262232	-0.008103968	0.23357737	-0.50609237	0.46718276	0.6223773	0.5001931	-0.012626676	-0.8949928	-0.7806079	-0.027621439	0.5710143	0.112585254	0.008663574	0.514717	0.003199402	-0.16597298	0.010618906	0.34701225	0.15159333	-0.7899967	0.57063276	0.04863167	0.27173722	0.5972	-0.21637304	-0.8563093	-0.8772062	-0.70228255	0.73865855	-0.5592125	-0.09937203	-0.9962396	0.33836254	-0.55697167	0.97959435	-0.7479264	-0.7789001	-0.42610827	0.44899526	-0.6577463	-0.2401925	0.67013186	0.68826604	0.95086014	-0.028172879	-0.4387195	0.10251137	-0.8696829	-0.4030609	-0.9014454	-0.11952779	0.22631161	-0.3975318	-0.796778	0.2760953	0.5731956	-0.03251058	-0.99968994	0.2683514	0.7679289	-0.3235787	-0.87661463	0.36821115	-0.057042606	0.6561504	-0.9999886	-0.4889584	-0.5839557	-0.9408182	0.3001326	0.17025201	0.9781486	-0.011717115	-0.29933354	-0.2867225	-0.7213786	0.5144287	0.096720554	-0.45825914	0.30963144	0.9972663	0.6099441	-0.9782743	-0.7568653	-0.53557795	-0.38306102	-0.021439848	0.08629993	-0.020807212	0.38174185	0.9194113	-0.18730702	0.015689958	0.32486638	-0.9880686	0.13448924	-0.20869228	0.08001058	-0.09613123	-0.737539	-0.64278394	0.40919757	0.51484925	-0.45209098	0.9997652	0.17572673	-0.76358	0.6179715	-0.26776904	0.29426587	-0.07530756	-0.79339015	0.10602397	-0.56683815	0.041132547	0.85372907	-0.59197116	0.10176996	0.2844093	-0.50543535	0.6734016	-0.84296966	-0.55312514	0.016446924	-0.048932586	0.7426674	0.9986496	-0.19621088	0.86970156	-0.2917411	0.66377	-0.31437534	-0.2367088	-0.61254025	0.9834674	-0.27221125	-0.10380362	0.42372608	-0.020458682	-0.61934257	-0.33367983	-0.22102988	0.5449638	0.99954987	0.7259411	0.94350296	-0.98986167	-0.14764082	0.7853954	-0.08170607	0.10931808	-0.26768434	0.40611246	0.6268856	0.5976712	0.023521097	-0.42826685	-0.46237418	0.46069604	0.5027967	0.21874797	-0.65084934	-0.47662887	-0.66476077	-0.030162046	-0.17917009	-0.4012463	-0.9675273	0.35400307	0.545197	-0.41063154	0.12864996	-0.22477476	0.690555	-0.7731056	-0.03081106	0.6605945	-0.24333593	0.54019594	0.10333152	-0.07016903	-0.6215415	-0.08955459	-0.23097226	0.25722507	-0.81020606	-0.6112749	0.15931548	-0.2016263	-0.094224885	-0.20538038	-0.055639572	0.020067476	-0.32777274	-0.00106408	-0.9451496	-0.10970665	-0.6990692	-0.6084196	0.58880556	0.42302617	0.72806984	-0.105171196	-0.14659022	-0.26458028	-0.30806413	-0.7567685	-0.24958584	-0.16174412	-0.033475935	-0.99613816	-0.48227742	0.066330664	-0.5267199	0.120971024	0.5470482	-0.5549251	-0.567902	-0.7242765	0.083650716	0.07478241	0.4189279	0.25886002	0.5117363	0.4059397	0.39309555	-0.9723796	-0.5645796	-0.1453612	0.5249414	-0.6248307	-0.6614944	0.60948277	-0.44928253	0.6495532	-0.6700577	0.8063807	-0.9997505	-0.37489596	0.5488591	-0.40504578	0.52611935	0.6567478	0.47412375	-0.5012847	-0.75104004	0.693604	-0.12596339	-0.06878593	0.7910295	-0.3135614	0.09509697	-0.02973628	0.30157343	-0.40181258	-0.057252362	-0.054956093	0.997934	0.121494666	0.7432276	0.3490762	0.9031403	-0.76080847	-0.5641869	0.5776744	0.06762566	-0.38027713	0.9995817	-0.35365707	-0.36551034	-0.031019358	-0.2124936	-0.59373224	-0.8687218	-0.926868	-0.22982012	-0.03790647	0.9998372	-0.39037982	-0.1614412	0.8660562	0.48971775	-0.99317366	0.4588511	0.061316647	-0.44721285	-0.25146863	0.4855557	0.644003	0.5954821	0.1145507	0.19371723	0.99844277	0.88639784	-0.27488145	0.63414854	0.7123691	-0.31280863	-0.4987609	0.5253357	-0.021743512	0.76646006	-0.04855402	0.71527296	0.76576626	-0.11325598	-0.70121187	-0.63379484	-0.023688989	0.25657347	0.293917	-0.70771	-0.21049733	0.24207434	0.2591773	0.575833	0.015529679	0.4372354	0.002407799	-0.10095054	-0.4792718	-0.9589821	-0.19512086	-0.3516878	-0.51299995	-0.7707297	-0.16029872	-0.62802225	-0.89764065	-0.07322899	0.782917	0.21554078	0.25878647	0.63896275	-0.47601348	0.9643783	-0.9916696	-0.3771468	-0.049531538	-0.01435237	0.658862	-0.7683163	-0.05447414	0.99889433	-0.5712634	0.9577499	0.1012344	0.6724293	0.95679283	-0.4481085	0.83354354	-0.59883875	0.38903716	-0.04750061	-0.16704196	0.9177776	-0.41213	-0.044260643	-0.7559742	0.8141236	0.123846404	1	-0.3726262	-0.48540995	0.3653433	-0.6993174	-0.8855956	0.35416636	0.87346023	-0.05115008	0.2998821	0.543343	-0.47412157	-0.18433712	0.07969775	-0.20224252	-0.59577876	0.14622284	-0.58658636	0.10756093	-0.867783	-0.92226166	0.8561327	0.6258426	-0.6223454	0.49156034	0.7562124	0.27338105	0.8703072	-0.41300035	0.73429555	0.20004162	0.27481607	0.93241787	0.004012468	-0.40945262	0.7727472	-0.27634585	-0.19841388	0.36291018	-0.02813198	0.43523517	0.97027904	-0.7289965	-0.9383709	0.38408944	0.99837685	-0.72991	0.86187077	-0.96521837	-0.17011736	0.22231372	-0.7702056	-0.69005686	-0.80713123	-0.25285235	-0.57690495	0.9370385	0.28013638	-0.74430025	-0.5241347	-0.09315106	0.40401804	0.78680044	-0.9999754	-1	-0.9962252	0.50257397	-0.46464053	0.82924765	-0.60075456	0.5809057	-0.28257868	0.79453295	0.91666645	-0.81216407	0.14522858	0.27287737	0.3340629	0.30975217	-0.61463517	0.22185747	-0.21932586	-0.9921641	-0.99996185	0.083875544	0.2990943	0.27720973	-0.23281495	-0.5484513	-0.16177897	-0.4900152	0.8088904	0.46262455	0.51446956	0.11084384	0.39779803	-0.9591064	-0.84868747	0.20837466	0.64313984	-0.22050755	0.69635814	0.26386607	-0.50101453	0.014496519	0.531667	0.81739926	-0.9981428	0.043376077	0.37789357	-0.1382126	-0.33790097	0.76495075	0.53476036	0.20875342	0.73765385	-0.3169501	0.6381251	-0.9069918	-0.37144947	0.11627141	-0.4051827	0.6112397	-0.6910529	0.99997693	0.08195225	0.66191477	-0.1978014	-0.384749	-0.23904772	-0.057837527	-0.11569185	0.45732456	-0.64059746	-0.64890707	-0.52075136	-0.41766286
433	1	CCc1cccc(C)c1N(C(=O)CCl)C(C)COC	-0.7557719	-0.72742456	-0.056733582	-0.84513277	-0.1904965	0.38298643	0.23181665	-0.5026815	0.08223822	0.47921082	-0.5108833	-0.5217588	0.66056025	-0.24848965	0.7785484	-0.76588964	-0.6075194	-0.21810769	0.71882486	-0.3560408	-0.1532548	-0.0584071	-0.03024775	0.52864134	0.52891815	0.05299547	0.55629265	0.3732711	-0.035497975	-0.48000568	-0.46809432	-0.6119343	-0.57883704	-0.38487667	-0.295185	-0.002159759	0.5442598	0.4489505	0.986425	-0.7078005	-0.8571877	-0.46537158	0.114498146	0.19208665	-0.29457265	-0.9608988	-0.26019397	0.64192265	0.98666155	0.29406717	-0.7229387	-0.7174818	-0.11608043	0.3055162	-0.87435895	-0.3471046	-0.054949373	0.27709624	-0.24887913	-0.11840029	-0.108808	0.8105744	0.124860115	-0.45763066	0.11913223	0.57975286	-0.24596167	0.067021474	0.20298453	0.7503793	-0.94280976	-0.9659434	-0.34835044	0.3489332	0.7945365	-0.6476641	-0.16717127	0.3202672	0.3624616	-0.99986094	0.40094948	0.3302066	-0.8939468	0.42603323	0.46137396	-0.6090496	0.23516472	-0.4564533	-0.5041498	0.34955114	0.82273525	0.039388448	0.4538508	-0.22786541	0.98499626	-0.43842927	0.5789135	0.053686336	0.7161805	-0.34714937	0.07690811	0.6553027	-0.66223645	-0.46771392	-0.849525	-0.18608233	0.4773539	-0.026174696	0.98124665	-0.77651966	-0.5532433	-0.075564615	-0.5458186	0.08955156	-0.3231558	-0.028666146	0.47080883	0.42495865	0.99854285	-0.51738966	-0.1570886	-0.16736801	0.33756873	-0.46880832	0.438451	-0.3785492	-0.34133795	0.33500153	0.04897784	0.9996637	0.6113424	-0.09125099	0.16131677	-0.46064892	0.33391887	-0.9958672	0.517011	-0.5148166	-0.8037898	-0.92787606	-0.9958432	-0.15689395	0.97744673	-0.11953207	-0.5989588	0.20758536	0.17534786	0.36123124	0.35552326	0.1834248	-0.21555756	-0.052645005	-0.10082011	-0.004597587	-0.28090256	0.54733354	-0.41909403	0.9247444	-0.94661415	-0.95061594	-0.93970793	0.4452809	-0.08285628	0.4592944	0.6658091	0.2917214	0.49179542	-0.4786149	-0.21069223	0.09049625	-0.013648861	-0.27378777	-0.52831566	0.19576576	-0.3555869	-0.88319606	-0.41986454	0.074910656	-0.003762824	-0.07372231	-0.63226986	-0.4406476	-0.38385317	-0.38311413	-0.012289762	-0.64047813	-0.6921019	-0.39534375	0.5329299	-0.24507739	-0.53753006	-0.25775054	-0.044758055	-0.27457386	-0.7270244	-0.12736617	-0.22338325	-0.9145015	0.13457572	0.027495775	0.49825224	0.53227895	0.63365513	-0.6430219	-0.07615345	0.14736761	0.3175987	0.24067967	-0.3379578	-0.9996692	-0.52311975	0.19628434	0.7485376	0.010277378	-0.16087212	-0.007655377	0.6128306	0.025493465	-0.025147486	-0.43427974	0.5389471	0.28918132	-0.8248812	-0.685623	-0.99625725	0.24371342	0.052191034	-0.08002342	0.09909904	0.42917433	-0.3162782	0.5889725	0.043843824	-0.47395065	0.3419129	-0.8609496	-0.07691594	-0.57124853	-0.7958549	-0.10197583	0.8239779	-0.38950384	-0.11152891	-0.43989867	-0.39423898	0.048714988	-0.2931131	0.124272004	0.32341373	-0.40715188	0.5798621	-0.99871236	-0.45739424	0.21325375	0.47304627	-0.17919146	0.6701801	-0.5559549	0.09765014	-0.010704476	-0.51182634	0.78680295	-0.1348807	0.6569044	0.1549522	-0.27923214	-0.7483266	-0.1443582	0.9840423	0.35843277	0.47781086	0.99639297	0.23695695	0.5334192	-0.20136818	-0.906249	0.12603804	-0.25355285	-0.8858556	-0.13289587	-0.19676115	0.99875426	0.38456106	-0.67001617	0.006353759	0.25156185	-0.1905152	0.87704587	0.91578937	-0.04514214	-0.12726526	0.9916423	-0.26545104	0.9697866	-0.021301119	-0.90398425	0.99714947	-0.98342866	0.19613226	-0.09908353	-0.062904894	0.36443657	-0.017285077	-0.3936358	-0.54900813	-0.5259679	0.013756189	0.26702067	0.0868749	0.5159732	-0.068849675	-0.7289661	0.47190198	0.20140938	0.517588	-0.3091276	-0.31481346	-0.11455126	-0.9999758	0.36437353	0.20258574	0.6651737	-0.5260744	0.032245275	0.4721393	-0.4160519	0.37781802	-0.8475577	-0.21763822	0.23575667	-0.46736547	-0.18493468	-0.49425727	0.12774564	-0.43987674	0.13478959	-0.2755506	-0.13138011	-0.3041642	0.20356613	-0.47438636	-0.19721566	0.650866	-0.06590964	-0.2832082	-0.74082625	-0.016746799	0.16951317	-0.044662934	0.06434968	-0.97221816	0.018138174	-0.7498733	-0.21088211	0.5760578	-0.032263875	-0.32654563	0.99994826	-0.3692242	-0.5055904	0.21595652	-0.766936	-0.6508765	0.39743882	-0.8073483	0.57044023	0.603434	0.3064404	-0.000874157	-0.5466353	0.27712	-0.54768795	0.21055065	0.35997707	0.23774275	1	-0.5736343	-0.18708284	-0.20048814	-0.10110975	-0.24156491	0.8923036	-0.7037884	0.16557457	-0.21840788	-0.5816554	-0.16555804	-0.29771286	0.38426813	0.002334571	-0.1661557	0.58451706	0.5556652	0.35576946	-0.12747617	-0.9275185	-0.21234056	-0.8460848	0.8622292	-0.49299085	-0.6110169	0.88507634	0.034441646	-0.057170764	0.6760661	-0.63512796	0.5806404	-0.63276905	-0.57206625	-0.4613547	0.18403436	-0.21487379	0.39213237	0.31195128	-0.3225352	0.17969982	0.9999999	0.18945242	-0.9777136	0.54514676	0.9997868	-0.05902008	-0.19155474	-0.9999247	-0.6699629	0.43226057	0.26226655	0.13388684	0.315854	0.6713642	0.62532437	-0.1690307	-0.34586245	-0.67125773	0.2968774	0.10450667	0.8612572	0.14245547	-0.9999677	-0.99752825	-0.95217294	0.3082479	-0.78949636	-0.5694354	-0.06357665	-0.61984724	-0.85855734	-0.29096836	-0.42892653	0.010814612	-0.46334752	-0.38789228	-0.3000394	-0.55644065	0.39267528	-0.29765043	-0.26148134	-0.4846058	-0.9998894	-0.57477033	0.44341102	-0.22992711	0.09020714	0.028291272	-0.9621935	-0.09902885	0.044510927	0.17268448	-0.2858963	0.38744625	-0.70137596	0.8832885	-0.13745856	0.35675785	-0.109183565	0.5247768	0.031030333	0.1516195	-0.119554795	-0.22621875	0.5032873	-0.41351023	0.7496619	-0.1796543	0.000818738	-0.28605345	0.18271244	-0.3762991	0.22624674	0.63642377	0.47749713	-0.608636	-0.44565198	0.9256757	-0.7904698	-0.26700908	-0.26696315	-0.29510662	0.49952227	0.9998868	0.22192311	0.19259375	0.6246185	-0.33999297	-0.23000607	-0.13786814	-0.99017954	-0.6392884	0.33321613	0.45365715	0.43817872	0.7056632
434	0	CSc1nnc(C(C)(C)C)c(=O)n1N	0.18470442	-0.34135053	-0.2463764	-0.57318234	0.14219153	-0.42303962	0.56757206	0.6706641	-0.43943125	-0.55755556	-0.062068097	0.15403494	0.10946853	0.40318632	-0.47860175	-0.31467682	0.053704005	-0.37678614	0.3076259	-0.72350556	0.12311043	0.029846666	0.7279941	-0.6922127	0.27865997	-0.4068571	0.5667845	0.55815953	-0.50791174	-0.4625144	-0.3469932	-0.057951644	-0.40823278	0.2712459	-0.13492973	0.5648185	0.22925979	-0.2926778	0.91766435	-0.4962245	-0.9894539	-0.6640195	-0.55008996	0.35448533	-0.4707463	-0.9800485	0.28451696	0.10928092	0.64961046	0.44236854	-0.52748984	0.29819423	-0.053060178	0.40953955	-0.5931948	0.097734354	-0.6931795	0.59800625	-0.17719884	-0.12677899	0.35772797	-0.07333904	0.6760162	0.10589802	0.8185486	0.04437399	0.38035467	-0.46098968	-0.16855943	-0.47663856	-0.74289936	-0.9996485	0.38329574	-0.3651819	-0.57494617	-0.48836645	-0.25831446	0.022968274	0.76845884	-0.9995948	0.09178858	0.34599867	-0.9272167	-0.19034049	0.12929818	0.79688406	0.80685633	-0.6179332	-0.11000069	-0.30043197	-0.5409366	-0.20092231	0.100959495	-0.08597978	0.99930835	-0.45141175	-0.8031627	0.32759765	0.37190738	-0.649942	0.44706059	-0.02257205	-0.5071715	-0.66146684	0.14582367	-0.9923391	0.35403687	0.2498014	-0.8568759	0.21889165	-0.77451766	0.3476597	-0.650157	-0.620421	-0.6604402	0.2173188	0.20866936	-0.78915215	0.99950767	-0.7939393	-0.114967085	-0.13263458	0.53256154	0.24185224	0.34817085	0.5329138	0.4694212	-0.22247878	-0.37076113	0.9441676	-0.43713966	-0.29148	0.4236458	0.80444866	0.045094293	-0.67933947	-0.45633492	-0.65039206	-0.6528145	-0.35274103	-0.9979457	0.4135496	0.9077074	0.41037953	0.10278429	0.50191003	0.35841894	-0.82146126	0.89730245	-0.4295742	0.64201486	-0.87098163	-0.8488387	-0.736573	0.52144617	0.06987533	0.089790955	0.9967272	-0.5413201	-0.8858498	-0.9889324	-0.07358926	0.07168691	-0.047792878	-0.031993214	0.072564244	0.3957659	0.22313544	0.61371464	-0.3510615	-0.6282254	-0.43824703	0.30660632	-0.25753704	-0.22105178	0.8983864	-0.45412377	0.13220061	-0.7511932	0.13177693	-0.013326914	-0.9876934	-0.64355713	-0.7430456	-0.38641706	-0.5199639	0.7819498	0.099400155	-0.09322909	-0.56853485	0.82879287	0.38933784	-0.19426504	0.32561183	0.25527427	0.13085717	0.08963827	-0.1630549	-0.6180882	-0.43062323	-0.5762184	-0.63367325	-0.32278323	-0.21631806	-0.14324369	-0.010428329	-0.37191448	-0.061429285	-0.19237936	-0.99853987	-0.7951572	-0.5422617	-0.58768654	0.45493025	0.3450666	0.1283962	0.6785413	-0.57973266	0.116305456	0.19376028	-0.55023277	-0.76399684	0.9502036	-0.34335986	0.9812046	-0.43420988	-0.40562674	-0.7196676	0.053411603	-0.39542395	0.17722525	-0.056315083	0.09720085	0.13137963	-0.69543666	-0.31425565	-0.81726795	-0.18076698	-0.36698663	-0.08401865	0.93402493	-0.02010966	0.44012967	0.35451794	0.058783576	0.51534295	-0.46944788	0.41013515	-0.2855709	-0.28392503	-0.3036034	-0.99861044	-0.5204602	0.009590591	-0.4664859	-0.66427743	0.26156414	0.4549731	-0.48534507	-0.42275983	0.15205818	-0.028407497	0.037026577	-0.27809045	-0.09246785	0.07796214	-0.07222833	0.20010345	-0.45420957	0.16353709	0.33687243	0.9669718	-0.74423444	0.13657743	-0.43448427	-0.6870366	0.22308157	0.47383007	0.5017501	-0.35110098	0.5250554	0.9994057	-0.35208675	-0.59770584	0.12633835	-0.3212874	0.3058744	-0.41697073	0.08958408	-0.065771595	0.25727037	0.99922246	0.36359236	0.9447227	0.43332314	-0.5083464	0.998938	-0.282138	-0.2474097	-0.21103734	-0.123854086	0.4013434	-0.43052796	0.21497945	0.9202697	0.79802245	0.97132707	-0.061007842	-0.68850434	0.47891542	0.070635945	-0.21155499	0.0649676	-0.7171412	-0.4345407	-0.3657756	-0.4486465	-0.097436436	-0.98862064	0.5034706	0.27924335	-0.40036142	0.6725843	-0.17436944	0.7259455	-0.8118104	-0.23091428	-0.18473561	-0.20796871	0.14918372	0.41208127	0.11890856	0.11494163	-0.16971178	0.2797684	-0.92183346	-0.31156033	-0.3830118	-0.6543897	-0.21728566	0.4372338	-0.16994978	0.5236976	0.1094405	-0.2771699	0.60877967	0.54705375	-0.11895841	-0.27745953	0.8027132	-0.983888	-0.69295484	0.614361	0.60911065	-0.21719728	-0.7501717	-0.2298118	0.9998033	-0.21509793	0.2668866	0.37135333	-0.001971887	0.049083743	-0.10509114	0.5873604	-0.68677455	-0.18477778	0.40435797	0.15005925	-0.32882684	0.35189882	-0.24708362	0.5005023	0.016710741	0.23654757	1	-0.52532375	0.17891698	-0.42292	0.605736	-0.81559014	-0.5717962	-0.030907491	-0.48465455	-0.54138345	-0.13242717	-0.38105822	0.368022	-0.30680978	0.8281267	-0.17034192	-0.71894103	0.74354565	-0.26762003	0.09663549	-0.8404238	0.44591826	0.5105643	0.9071756	0.58629614	0.5641908	-0.2478631	0.22284429	-0.17622814	0.22834463	-0.5350527	-0.8361465	0.80292207	-0.32556117	-0.23736057	0.5446543	0.80304784	0.15837726	-0.120231666	-0.28070936	-0.07070594	0.99997324	-0.27865633	-0.9893229	-0.25886223	0.9989014	-0.35952938	-0.24802841	-0.9986806	-0.8319787	0.07828786	0.8053241	-0.019461606	-0.6946118	0.27809972	0.16682152	0.8711376	-0.47380897	-0.2653511	-0.38810444	-0.44241178	-0.4669949	0.26301622	-0.9999572	-0.9971115	-0.99379	-0.65157425	-0.65093017	0.32836977	0.38673806	-0.3937483	-0.82840234	0.3610938	-0.1352863	0.26052845	0.52965325	-0.20024753	-0.12465144	-0.76321864	0.67791605	0.35049814	-0.21221003	-0.9569078	-0.99994594	-0.44873893	0.22201836	-0.6100511	-0.36683077	0.47916305	0.5221798	0.49983984	-0.36320403	-0.08275967	0.1636289	0.41129747	0.20994894	0.97470915	-0.14671002	0.695123	-0.2472379	-0.054347277	0.24820955	-0.09852479	0.15206845	0.46535143	0.1997447	0.84380376	-0.15224424	0.585056	-0.05663699	-0.38647565	-0.41027483	0.22707884	-0.12254477	0.7491806	0.6816284	0.5455666	0.32950717	-0.093070485	0.77260673	0.7086565	0.2280649	0.5614723	0.021607516	0.999416	0.2513788	0.10656081	-0.27367812	0.31746033	0.030105833	-0.50228953	-0.83024687	-0.21929665	-0.34911534	-0.1812931	0.052495006	0.2395041
435	0	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1	0.9778348	0.3911482	-0.5381805	0.4126502	-0.17357735	0.11936493	-0.48881403	-0.006848771	0.3233305	0.29356447	0.7506963	-0.6595506	0.18961167	0.3503657	-0.06741493	-0.5616472	0.25123155	0.6145586	-0.071372144	-0.5087261	0.6377456	0.07454994	0.32057717	0.21571763	-0.23465621	0.13390726	0.40401003	-0.17467244	-0.833295	-0.27763537	-0.77117544	-0.50560033	-0.30493945	-0.15474926	0.6860846	-0.46415848	0.7395808	-0.31637645	0.99949825	0.57884246	-0.7383189	-0.058888566	-0.11347323	0.35842544	-0.029254673	0.3557593	0.65471274	0.5809796	-0.26539108	0.7483558	-0.40829086	0.14141983	-0.7716032	-0.14131127	0.5597224	0.5805306	-0.67739856	-0.8836802	-0.091265015	0.22804901	-0.33242097	0.23614731	-0.29780075	-0.3090611	-0.3395261	0.62626255	-0.3902483	-0.650132	0.3573427	0.57286835	-0.9745414	-0.99984866	0.056250002	-0.38179955	-0.91004455	0.5442598	-0.58920777	-0.6107269	0.5736214	-0.9999431	0.10020876	-0.04508352	-0.8261027	0.3054606	-0.32459527	0.56105244	0.6475635	-0.06155222	-0.19079153	-0.13479798	-0.24403454	0.11906467	0.63864756	-0.7163966	0.9999957	-0.0293979	-0.9314361	-0.37665096	0.00335685	-0.1783999	-0.060661018	-0.7545922	0.18534537	0.89700085	-0.9972431	-0.9973324	0.56009936	-0.081577465	-0.9997348	0.51616937	-0.617121	0.15829061	-0.70105094	0.019785725	0.4802157	-0.09996198	0.53901607	0.15514848	0.9741063	-0.21797884	-0.6140063	-0.38145655	-0.19054548	0.74243546	-0.30338475	-0.7978768	-0.5107235	0.002522329	-0.019458544	0.63168406	0.019907778	0.17775671	-0.293409	0.39928773	-0.37437394	-0.94174474	-0.67035747	-0.42184392	-0.6622837	0.51841986	-0.9999727	-0.5815464	-0.93842334	0.14614446	-0.5138088	-0.361139	0.14601353	-0.09592009	-0.9812753	0.3862963	-0.26123676	0.82462716	-0.46367806	-0.105763376	-0.72988003	0.71680415	0.25453812	-0.70909	-0.79811907	0.929145	-0.42988893	0.18484373	-0.22899382	0.098394655	-0.14748035	-0.14577429	-0.6335888	-0.26323357	-0.73252136	-0.23779336	0.47345376	0.50360894	0.2489333	-0.26000366	0.209258	0.2054873	-0.45668077	-0.3795601	-0.66124076	0.44053593	0.20472652	-0.99996156	-0.11371122	-0.16063964	0.8156833	0.28037927	0.36344507	-0.17527385	0.7584782	-0.45794323	0.6318341	-0.000452839	0.46578243	-0.013854307	-0.25746083	0.38519883	-0.46266106	-0.87673557	-0.73353314	-0.3095386	0.39115408	-0.58978367	0.29136795	-0.27567542	0.1020225	0.13580623	0.7958056	0.25359303	0.47268343	-0.99992037	-0.04837819	0.30297276	-0.5645522	0.12936218	0.46281928	-0.29837137	-0.07282469	0.13745679	0.40359926	0.37750202	0.1906516	-0.34442252	0.68323016	-0.08048604	-0.973109	-0.50212616	-0.33228865	-0.15993355	-0.30541825	-0.06339614	-0.46457997	0.5952815	-0.60633653	-0.78995776	-0.544095	0.05750563	-0.1845767	-0.27616674	-0.19883572	0.43129686	0.80614144	0.24760953	-0.18824112	-0.10746929	-0.080364704	0.3271147	0.16657333	0.6884681	0.19817324	0.2009467	0.62380713	-0.980266	-0.121097825	0.74756694	0.09153668	-0.648825	-0.8410021	0.06376956	0.36315325	-0.16674927	-0.5624732	-0.16383763	0.76801795	0.19111827	0.034522444	0.86621755	-0.4690964	0.7421891	0.58237505	0.018673109	0.6268627	0.96765745	-0.53340805	-0.3889304	0.3457421	-0.9290527	0.6647227	0.89169073	0.72253096	0.5769205	0.51259047	0.980036	-0.94605553	-0.5489207	0.27773172	-0.38247934	-0.4804511	-0.9366296	-0.9993149	-0.5464588	0.45755813	0.7342528	0.20266573	0.5151573	0.76355976	0.15095131	0.9999804	0.61632377	0.34873402	-0.33776194	-0.38916928	0.58086634	-0.74390024	0.43185127	0.7468874	0.8628903	-0.9913814	-0.33936185	0.70498186	0.1364532	0.058013096	-0.4566184	0.43758968	0.6397084	-0.9887522	-0.16620839	0.21133249	-0.061492424	0.9827538	0.6295441	0.051226947	0.74446386	-0.49887702	-0.65032715	0.5884676	0.5079323	0.038371954	-0.050842624	-0.3056645	0.40753248	0.6839037	0.23228966	-0.3106626	-0.117171116	-0.5325356	-0.98468846	0.32613593	-0.43943763	-0.43174088	0.07095254	0.70962256	0.019704718	-0.11160011	0.78833765	0.21844317	-0.69584686	0.2380196	0.001934697	-0.07048841	-0.9597664	-0.40149853	0.2589231	-0.07610098	-0.73938864	-0.47055823	-0.74716026	-0.31805095	0.99919856	0.41125926	0.4834882	0.04385244	0.44872317	-0.44005987	-0.6393373	0.7486684	-0.30694216	-0.13828021	0.27564952	0.5281045	-0.6007901	0.41688487	-0.23797156	0.49467278	-0.8064555	-0.26907328	0.9951807	0.41054928	0.107341036	0.1860207	-0.4133218	0.37215525	-0.19483107	-0.51343626	-0.6254283	0.34189838	0.22874005	-0.20703517	-0.39596498	-0.2393517	0.77681506	0.61002165	0.41320682	0.31518686	0.17676842	0.2732698	-0.8095463	0.45284948	0.7459081	-0.5742761	0.8544317	0.99951166	0.065955885	-0.017558185	-0.25808725	0.65476054	0.17303102	0.71391076	0.7687144	0.20766006	-0.8517266	-0.3347179	-0.5736334	-0.16312453	0.25221887	-0.13155398	-0.45326468	0.9012201	-0.19009146	-0.93204457	-0.6899124	0.99860287	0.13009404	0.40555894	-0.97057414	-0.52238387	-0.84058243	0.26507643	-0.3327321	-0.22609001	0.452433	0.6081881	0.9447815	0.02924376	0.79979104	-0.39681417	0.07784816	-0.25749832	-0.20150803	-0.99990296	0.99458295	0.06771931	0.34288463	-0.447694	-0.3123973	0.16978419	0.72315305	-0.91332144	-0.7124224	-0.06087144	0.17811897	-0.10418358	-0.199116	-0.13379236	0.6371168	0.30628046	0.6680776	-0.78250223	0.6483887	-0.9992828	-0.38185602	0.552291	0.11197265	-0.55773413	-0.26800513	0.99213666	0.8223212	0.86826426	0.64952874	0.55120564	-0.27791214	-0.34193975	0.96514267	-0.44406223	0.54666394	-0.17341375	-0.75644064	0.37020245	0.42988437	-0.017734077	-0.33706692	-0.254091	0.97672933	-0.29292127	-0.3191554	-0.35053238	0.050258704	-0.11989201	0.008613649	-0.76229686	0.7272089	0.055522308	-0.34275252	0.74637634	0.99827737	-0.060382538	-0.3549474	-0.12204856	-0.39786097	-0.8352291	0.99998605	0.026999561	0.53835493	0.3905782	0.5562645	0.08390386	0.22231418	-0.99804795	0.08446656	-0.93073887	-0.8655802	-0.35435286	-0.039907977
436	0	CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N(C)C)cc3)CC21C	-0.06499034	-0.0612821	0.15243116	-0.04068068	-0.6949989	0.08300675	0.65629476	0.0623645	-0.20132737	0.4419206	-0.72485095	-0.09457855	0.052125115	-0.55324423	0.5083995	0.4650812	0.17479368	-0.3660738	-0.7702713	0.2444552	-0.23450004	0.10291146	-0.086392604	-0.46807548	-0.059150543	0.40561947	-0.054119047	-0.028366044	0.26052123	0.087786295	-0.4806244	-0.47558725	0.77379596	0.77183634	-0.4662737	0.6991084	-0.14625496	-0.0997859	0.99992204	-0.43456453	0.34179187	-0.30535424	0.53652984	0.6012246	0.6895076	0.95202196	0.36869624	-0.5682233	0.97903484	-0.472868	0.12305755	-0.48294154	-0.5457422	0.13844955	-0.70857626	-0.16862775	-0.23297915	-0.9311046	0.003104528	-0.524714	-0.15807378	0.07859759	0.008340991	-0.008026976	0.817935	-0.7183834	-0.16652976	0.37941146	0.49360296	0.53128815	-0.054480445	0.45207837	0.59382904	0.6610946	0.5897456	0.71501285	-0.30498654	0.53423536	0.58808565	-0.9988935	0.14404033	0.46010113	-0.9623887	-0.094514884	0.18345186	-0.97653735	0.3005719	-0.4724925	-0.64013207	-0.17666438	-0.45282045	-0.007796791	-0.28356507	0.04265802	0.99469334	0.0959966	0.82964545	-0.6779008	-0.31917682	-0.7532574	-0.06717854	0.803989	-0.40385225	0.87520796	-0.99995464	0.6805537	-0.21679415	0.5861923	-0.8802075	-0.5493313	-0.022376264	-0.13038598	0.61089987	-0.13726811	0.17312053	0.14795229	-0.119240515	0.3899827	0.10626021	0.138911	-0.65269595	0.027411547	0.646215	-0.627142	0.2116325	-0.2867183	0.60100293	-0.29287776	-0.25618196	0.99998057	0.1450041	-0.025427898	-0.26216736	-0.4252591	0.39330176	-0.9686486	0.44746503	0.82204086	0.03422926	-0.67656094	-0.99999946	0.52641225	0.44363344	0.045139458	0.76571757	-0.26306096	-0.7548313	0.13695703	-0.99992216	0.30764896	0.03228185	-0.89668095	0.8081133	0.52570283	0.47955036	-0.7377157	-0.5292308	-0.9973969	-0.64002204	-0.61023605	0.50355977	-0.50226593	0.28755352	0.10362014	0.72122943	0.5105635	-0.113965034	-0.1829383	-0.2225988	0.20785941	-0.51895624	-0.10517419	0.64445126	-0.7302054	0.30366123	-0.93216205	0.75778425	0.35411757	0.22499767	0.107297584	0.25496608	-0.04522372	0.67521214	-0.16532509	0.9175925	-0.34900013	-0.51889044	-0.394106	0.22201698	0.08848814	-0.7582071	-0.56884414	-0.6257645	-0.122160755	-0.012560681	0.6462485	-0.46910846	-0.9354122	0.68865776	0.3395782	-0.5553645	-0.112473086	-0.19140993	-0.31461805	0.17551355	0.5670917	-0.7589406	-0.5302781	0.23334311	-0.99996585	-0.34725016	0.13637386	0.26803464	-0.46509275	-0.24294521	0.3389854	-0.032009456	-0.02566113	-0.25905448	-0.38392535	0.7435973	-0.31963784	-0.9052187	-0.4051599	0.9714702	-0.026784396	-0.74044096	0.5441289	-0.55972594	0.4246833	0.64016277	-0.21589741	0.4174229	0.28395146	-0.02964896	0.29549152	-0.13791026	0.052687015	0.1795328	-0.21777149	0.7840055	-0.5213786	0.21638879	0.6349617	-0.7018164	0.062043916	-0.786487	-0.48199067	-0.722174	-0.519436	-0.3976848	0.23580532	0.42194912	0.15089782	-0.16003886	-0.7758235	0.31438583	-0.73630387	-0.13979727	0.2092051	-0.47242948	-0.19045572	-0.69526684	-0.82959336	0.33126882	-0.08960639	-0.30440578	-0.34581748	0.89549786	-0.2017195	0.045446385	0.99995524	0.23301256	0.002003443	0.06237266	-0.71275204	0.08910847	-0.8125078	0.45239812	-0.49864644	-0.2887821	0.82256824	0.19062027	-0.1299752	-0.44238847	-0.17944926	0.09377637	0.9370133	-0.84863174	-0.22582613	0.4616591	-0.92427987	-0.20782265	0.6716137	0.621165	0.841853	0.99999976	-0.9980426	0.77364606	0.051457405	-0.08984644	-0.59830326	-0.23384938	-0.4105248	-0.66818595	-0.984378	-0.99974173	-0.13939327	-0.015536021	0.06683302	0.09533883	-0.27486154	-0.3539632	-0.67519367	0.7711474	0.5967933	0.59396523	0.4898547	-0.93847966	-0.26971006	0.2271285	-0.336275	0.42415878	-0.45959657	-0.2059383	0.093754984	0.099975124	-0.8728053	0.2913118	0.2887698	0.20463133	-0.5366364	0.81291324	0.13681413	0.115144365	0.94810444	-0.052435033	0.7450699	-0.06177091	0.37356386	0.1794241	0.45194754	0.9096523	-0.616809	0.35184225	0.5441971	-0.11471136	-0.28512073	0.2337028	-0.9931075	0.23186988	0.37402135	0.42322367	-0.70680344	-0.11387775	0.40143844	-0.26546592	0.99964213	-0.4828592	-0.48548532	0.55428076	0.28397238	-0.42036536	0.63485307	-0.97274	0.44100535	0.07650695	0.64192694	-0.052417193	0.34987062	-0.11757644	0.020728918	0.7580736	-0.7909696	0.33614898	-1	0.2942943	0.6146013	0.054315604	0.15752386	0.04212898	0.3947191	-0.65416133	0.46258044	-0.1133151	-0.10295525	-0.72157246	-0.07861666	0.14600416	-0.8334677	0.3091247	0.004739491	-0.2844844	-0.72922635	-0.27830905	0.52226335	0.08091225	-0.77836084	0.8846881	-0.45331246	0.6905704	0.27671936	-0.6966691	-0.34862506	-0.45203635	-0.56108606	-0.47278777	-0.734493	-0.09694923	-0.38761923	0.41564906	-0.31648147	0.2142418	-0.1351906	0.015885467	0.6590456	0.9997755	0.4193368	-0.9893607	0.60838896	0.9996235	-0.25283232	-0.30417973	-0.9992364	0.6655575	-0.5948573	0.106712334	-0.57876045	-0.2721616	0.8909968	-0.09703307	-0.8996525	-0.373565	0.22491722	0.16479515	0.15251027	0.46584216	0.23708175	-0.99930114	1	0.9489751	-0.77290213	0.46940452	-0.027287092	0.371892	-0.73920584	0.5646912	0.5848185	-0.35595784	0.24536501	-0.31749633	0.58335066	0.2734079	-0.6038411	0.108770385	-0.29616857	-0.31237346	0.99483085	-0.9905181	0.10102758	0.01593235	-0.1726971	0.86490744	-0.29537994	-0.9157433	-0.33624908	-0.5840266	0.6438065	-0.40179086	0.4064473	0.08685756	0.75192875	0.83092767	0.7582247	0.6788016	0.227405	0.105603576	0.03724638	0.60403097	-0.34203863	-0.012800909	-0.715727	-0.9986034	-0.004418802	0.0929002	0.3648093	0.16994862	0.08436343	0.53019303	-0.90418774	-0.33427125	-0.25848565	0.3897409	0.99981254	0.055811852	-0.20715575	-0.1301073	-0.043100785	0.81982297	0.9998787	0.43764848	-0.7027136	-0.62784135	0.42840642	-0.05176103	0.57788676	-0.9998446	0.27029303	0.412299	0.5852344	0.851503	-0.7468185
437	0	ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl	-0.13672562	-0.7525102	-0.11367419	0.7077815	0.014695371	-0.91548	-0.6448944	0.012965496	0.40656388	-0.961964	-0.4151337	-0.037290648	-0.41535506	0.67789567	0.03357798	-0.98754764	-0.80765426	-0.1739676	0.49588707	-0.14382347	0.008388306	0.12579337	0.7490241	-0.45053786	0.585087	0.75575864	-0.78794533	0.28900972	0.99369353	-0.5106777	-0.5786198	0.6651411	0.19580647	0.16382174	0.77651	0.3375317	0.50968003	0.21383584	0.99984735	-0.8289438	0.42279676	0.42922965	0.5629471	-0.36299723	0.51555383	0.61540145	0.43908706	-0.028072637	0.99970716	-0.8320234	-0.8218451	0.60557246	-0.45067176	-0.38185373	-0.94570446	0.68694615	-0.88831687	-0.9733275	-0.35051602	0.26735306	0.49659446	-0.61883485	0.024165647	0.16474447	0.15769148	0.868772	0.03691394	-0.75665975	0.78763634	-0.07550816	0.8677406	0.8928101	0.8087306	0.93007016	0.9021824	-0.92506284	0.59264725	-0.4539314	-0.5517456	-0.97907853	-0.6222336	-0.14402653	-0.04271154	0.7586413	0.8697006	-0.9391544	0.48484397	0.43596694	-0.76426727	0.65970594	-0.41249433	0.3997122	0.7603906	0.14669468	0.26646087	-0.6089991	0.90562224	0.008609706	0.5064761	-0.83372617	0.7669402	-0.13862692	0.9623246	-0.44946817	-0.9997612	0.969069	-0.74919605	0.33666474	0.99017316	-0.7098822	0.27937853	0.3706781	0.31900004	-0.49824783	0.20990093	0.007130773	0.13475929	0.9286386	0.97202176	-0.35938272	0.6000536	0.18160644	-0.64443195	-0.45966777	0.75477046	-0.027151689	0.8111625	0.3436713	-0.6769854	0.9998976	-0.37503666	0.10548893	0.9228074	-0.46009323	0.9763652	-0.7874306	0.85325897	0.1511549	0.7902758	-0.51362747	-0.99955934	-0.4321329	0.9662867	0.45144334	0.2565848	-0.124717414	0.37628254	0.38873303	-0.99845546	-0.24338381	-0.5210481	-0.82381725	0.8924704	-0.53338265	-0.88742834	0.19028975	-0.32890812	-0.86148053	-0.9807766	-0.8200622	0.30447266	-0.3705767	0.5863308	0.47676283	0.8575878	0.56263506	0.6422362	0.057953514	-0.5275872	-0.30288413	-0.99009794	0.092071	-0.87525237	0.40816814	-0.32424152	-0.84935063	-0.7540607	0.76828104	0.860099	-0.5288404	-0.29506025	0.92426944	0.78800845	-0.79918027	0.90540594	-0.67255884	-0.007437293	0.27504116	-0.5392684	-0.57011724	0.70684284	0.57638633	0.45754978	-0.88697344	-0.57705265	0.7526073	0.31173396	-0.352924	0.38613436	0.14252418	-0.5382353	0.8545714	-0.1401488	-0.46088305	-0.18542165	-0.6136166	-0.20171684	-0.39029625	0.7590611	-0.99988925	-0.5956498	0.5897565	0.057839196	0.024059724	0.30931368	-0.27470335	-0.07819326	-0.8854998	0.44567102	-0.032423485	0.013059179	-0.7314795	-0.36764053	0.60711104	-0.99335706	-0.1989207	0.82442856	0.5613134	0.50641274	-0.46156174	-0.55408436	-0.041223213	-0.59434915	-0.59601885	-0.21012983	-0.15210527	0.30369246	-0.08453906	-0.77237946	-0.75009423	0.42099673	0.770046	0.45078588	0.10959621	-0.94728327	0.17055164	0.23728806	-0.6963152	-0.49742895	-0.85206133	-0.16543412	-0.040532738	0.103201374	-0.078610465	-0.73701614	-0.8234656	0.4296455	-0.44239554	-0.5542451	-0.1231292	-0.5918536	0.51117843	0.5837176	-0.8842529	0.49539492	-0.08106191	0.21155347	-0.82481235	0.9406419	0.8530813	-0.5785511	0.9999828	-0.021021232	-0.32292935	-0.14135082	0.8688272	-0.4222782	-0.96292794	-0.11125769	-0.9936193	0.79707414	0.96974975	0.8662849	0.183286	-0.17556927	-0.30941245	-0.80757993	0.9722249	0.72747916	-0.5957522	-0.78090423	0.33766305	0.09152305	0.78770185	0.60620993	0.30968806	0.99999523	-0.9982923	0.44280693	0.472222	0.4431712	-0.49264428	0.88266397	0.450084	-0.73010314	-0.9565131	-0.9719401	0.8117224	-0.7855659	-0.33089736	0.63773525	-0.43958718	0.7572242	0.24173303	0.9614024	-0.84528214	-0.43891862	0.375674	-0.9996423	-0.40144122	-0.44043148	0.31289998	0.97854763	0.5239975	-0.6373103	-0.93774796	-0.5630524	-0.83731186	0.5676602	0.68808323	-0.65559816	-0.14735267	0.11981394	0.26055685	0.85887295	0.9867514	-0.4212145	-0.18678771	-0.37726247	-0.4813482	-0.6907992	-0.97495675	0.67200226	-0.9790139	-0.028651124	0.4708477	-0.4144194	-0.04276887	-0.3800633	-0.94992995	-0.25336146	-0.5393898	0.7480808	-0.57708013	0.900346	-0.52268696	-0.23409164	0.9993488	-0.3448299	0.0423617	-0.260808	-0.41582537	0.58914584	0.38364238	-0.97807276	-0.23733604	0.808751	0.9955925	-0.37879908	-0.36043134	-0.29385203	0.74379843	0.941081	-0.5504459	-0.04203053	-0.99999994	0.6377557	-0.86598897	-0.21844304	-0.58863103	-0.9318306	0.063889466	-0.6066555	0.40303326	-0.7481662	0.13276409	-0.66494465	0.74911255	0.15629405	-0.6308355	0.67683876	-0.20790127	-0.045729112	0.23478393	0.27280357	-0.20495711	-0.4507682	-0.93239194	0.9753042	-0.96781594	-0.4478979	-0.23067603	-0.8486324	0.88393587	0.22601397	0.045607194	-0.35115644	-0.3435045	-0.22269027	0.66837	0.78846407	-0.1666221	-0.16586618	0.6474367	0.23597203	0.30114168	0.99999577	-0.21907929	-0.18880941	0.72772944	0.9889928	-0.80103606	-0.6109821	-0.99983525	0.082958154	0.21834575	0.17825995	-0.2821248	-0.41826558	-0.57229215	0.02156255	-0.95381916	-0.5643986	0.6994169	-0.4194168	0.72785264	-0.44589671	0.20833221	-0.9999932	1	-0.5737047	0.6970415	0.1420838	0.8968968	0.41837433	-0.7205017	-0.85844576	0.62741727	-0.6028811	0.55537355	0.11347312	-0.18278398	0.51995695	0.16815735	-0.6411823	0.4346918	-0.92150253	0.9242995	-0.9996035	0.6428483	0.50971526	0.76168996	-0.33534348	0.2794015	-0.993672	-0.5404325	0.25238922	0.36364418	0.77735084	-0.69218504	0.29851997	-0.84197366	-0.8670417	-0.80189747	-0.19381548	0.33250663	0.75797147	0.070989475	-0.6218254	0.69247425	-0.8312113	-0.9799887	-0.999992	0.28331605	0.005804236	-0.53604007	0.74478847	0.6655311	-0.73780435	-0.4570321	-0.120023005	0.03538742	-0.06702379	0.9967703	0.07773549	-0.014399899	-0.39538857	0.06912052	-0.22333007	0.99912184	0.79117155	-0.07882982	0.12633307	-0.162152	0.68343747	0.67682034	-0.9991717	-0.7725381	0.38480276	0.98123556	0.8226101	-0.35675463
438	0	CCSC(=O)N1CCCCCC1	0.13603567	0.11182831	-0.2565913	0.10969567	0.4777359	-0.05130899	-0.18641122	0.09154691	-0.46838343	-0.3516767	-0.37661368	-0.17869882	0.007878657	-0.23502296	-0.013735892	0.55714715	0.28659946	-0.0757936	0.034335442	-0.1429018	0.5631049	-0.69820994	0.18874599	-0.07769162	-0.013033926	0.55597585	-0.0505236	0.021400064	-0.32754928	-0.41466206	0.4028785	0.44644445	-0.15163983	-0.4125985	0.33499986	-0.3662908	0.6120871	0.49480355	-0.32159796	-0.8834257	-0.9961288	-0.4383495	-0.26772466	0.3733505	-0.21025266	-0.99422747	0.32622865	0.57132614	0.9734768	0.22272782	0.40132102	0.3926505	-0.17004862	0.07375904	-0.88071996	-0.013953188	0.593298	0.9686615	0.22865303	0.20330612	0.28403103	-0.12414072	0.30653644	0.22288448	0.357611	0.43529353	0.44136032	0.68679774	0.09855411	0.2727544	-0.033760644	-0.9853214	-0.1887054	0.79960483	0.50415474	0.031376008	-0.7652885	-0.02686365	0.55107623	-0.9997756	-0.050126445	-0.4348633	-0.38874316	0.01413817	-0.22571021	0.27891007	0.73526514	0.44215462	-0.14031614	0.40848067	0.08100333	-0.26140255	-0.11974956	0.12237288	0.9599435	-0.29492748	-0.003943206	0.3716201	0.12367466	-0.26655263	0.40614426	-0.47265342	0.23769204	0.36850008	0.9194597	-0.05915299	0.63291365	-0.21665677	0.99342775	0.15992261	0.22548008	0.058083635	-0.34852904	0.36525074	-0.393344	0.3633819	-0.31369933	0.3385704	0.9989596	0.05349408	-0.4309173	0.53418785	0.28247046	0.03447813	-0.020164073	-0.09470718	-0.2196686	0.04115791	-0.23235542	0.9990968	0.10352301	0.61273676	-0.30557472	-0.38466483	0.4068656	-0.9561469	-0.23220447	0.09521641	-0.24807152	-0.5027293	-0.9918894	-0.22416502	0.98210365	0.08431738	-0.316492	-0.18319924	0.012374469	-0.19578315	0.99193114	-0.13062371	-0.4418078	0.2898558	0.39669725	0.22704916	-0.5148037	-0.37652186	-0.13933544	0.9990193	-0.14109631	-0.93204725	-0.98812014	-0.48717946	-0.07101738	0.18941207	-0.51545876	0.10891514	-0.09681594	-0.61903524	0.28904906	-0.09552597	-0.44430968	-0.41170564	0.07671785	0.02553532	-0.3064283	-0.9238977	0.88924265	-0.18164547	-0.48439017	-0.03073955	0.4690319	-0.31448925	0.5168415	0.62869173	-0.9685531	-0.5782795	0.2315093	0.44471818	-0.26583394	0.56376404	-0.43821114	-0.10299881	0.4828869	0.48384917	-0.078498386	-0.46684575	0.33643737	-0.8863598	0.45683306	0.51581705	-0.020883484	-0.5317977	0.08201925	-0.19575638	-0.20080024	0.5197557	-0.39432445	-0.51128155	0.09674387	-0.9513321	-0.18782617	-0.15387902	0.18432651	-0.22276807	0.30524752	-0.33526054	-0.2319373	-0.47374612	-0.52510476	0.13453087	-0.14610223	-0.24650896	-0.5192725	-0.067476116	-0.92088693	-0.18768844	0.40462148	-0.49367416	-0.0887312	0.12425111	-0.46440488	-0.23911181	0.3044869	-0.35807925	0.09804213	-0.20546143	0.018633053	0.09306849	-0.34714025	-0.5080368	0.8673942	0.05599445	0.37224996	-0.3000862	-0.49475378	-0.4583273	0.6262807	-0.48475647	-0.6148539	-0.18481717	0.6534086	-0.9970105	-0.6532496	0.3008619	-0.34606215	0.5426271	-0.6192936	0.18360688	-0.27416787	-0.5682707	-0.13951033	-0.08616138	0.4868839	-0.39043278	-0.31485078	-0.343698	0.05260936	0.011049288	0.63706124	-0.3603411	0.062066503	-0.029129181	-0.12047197	0.003941776	0.13599804	-0.07621835	0.5920787	-0.5777312	-0.532506	0.7082386	-0.068768114	0.9993323	-0.16955064	-0.003357524	-0.6190219	0.064351626	0.11081925	0.62847	0.9602637	-0.28094295	0.26090103	0.99952054	-0.27574158	0.3619832	0.11596412	0.07161586	0.9982509	-0.9408374	0.26424333	0.45804697	0.04848318	0.3622881	0.44104028	0.044169724	-0.3182755	0.18235807	0.9961412	0.4376827	0.24311177	0.3792885	0.30065492	0.108854346	-0.28177592	-0.27933693	0.75115025	0.17621832	-0.1562303	-0.65016496	-0.99998766	-0.44656938	-0.27623564	0.5947243	0.001806838	-0.621207	0.29178715	-0.012745689	0.03951961	-0.9477549	-0.12658952	-0.11316197	0.14754643	0.558645	0.09856796	-0.07923564	0.35690576	-0.027734092	-0.2675865	-0.72085655	0.1137154	-0.50548637	0.5296798	0.7170806	-0.04620648	0.86529297	0.42433915	-0.13239303	0.46745172	0.33068275	-0.1878885	0.91486347	-0.9950045	-0.21200794	0.6265181	-0.20140286	-0.000507485	-0.29551804	0.27017903	0.99853504	-0.8132645	-0.4867927	0.077141896	0.12238934	0.41493592	-0.35423028	-0.40654147	-0.42426738	-0.43158484	-0.75463605	-0.68369937	0.51313823	-0.036611218	-0.31914744	-0.20591569	0.900142	-0.104048416	1	0.0848702	0.21758609	0.25783536	-0.15553065	-0.61575294	-0.005523586	-0.031075777	0.20039023	0.7111342	0.24828888	0.46384224	0.8710518	0.30997074	-0.57621235	0.1164344	-0.36881575	-0.121127956	-0.72163796	0.08090021	-0.42758346	0.15743776	0.03644853	0.563325	-0.20813638	-0.79314154	-0.4798654	-0.17894827	0.039634388	0.19117358	-0.43386686	-0.26260105	-0.1507291	0.28235486	-0.18086147	0.1720785	0.25383094	0.048558075	0.1351495	0.21862753	0.32680327	0.9999998	0.12678674	-0.66249937	0.39954114	0.99782646	0.11154663	-0.6115609	-0.999958	-0.39997613	-0.2515325	0.15747818	0.029142136	-0.6004691	0.31244448	-0.03584991	0.16195272	0.2758166	0.4634032	-0.4218241	0.25071678	0.38098034	0.13444765	-0.9998214	-0.99884945	-0.99119174	-0.18660766	0.21581063	-0.072930075	-0.51560307	-0.048889484	-0.5392742	0.60774004	0.011391765	-0.12162309	0.31024036	-0.052346885	-0.24869457	-0.59744287	0.26432645	0.30081177	-0.1971719	-0.98418754	-0.99979943	-0.38183278	0.2234415	-0.019181468	0.17294337	0.14832437	-0.9816117	-0.645814	0.20705467	-0.22342199	-0.13182816	-0.59077626	-0.11005928	0.52067024	-0.029026173	0.878591	0.48890427	0.4084225	-0.07782014	-0.39502653	-0.082103565	-0.20417894	-0.35796386	-0.17781661	-0.1821636	-0.38849428	-0.021970876	0.2362147	-0.5452044	-0.40878484	0.12164241	-0.9496163	-0.17122766	0.17214663	0.24092142	-0.8501989	0.49606	-0.41856715	0.3978646	-0.40538442	0.30863827	0.9995375	-0.24195346	0.37419373	-0.010434214	0.57009447	-0.26989183	-0.22659652	0.007545752	0.5381089	0.2318529	-0.15647334	0.47217593	0.30177763
439	0	O=C(O)c1ccccc1C(=O)OCc1ccccc1	0.7600208	-0.6316603	-0.39397857	0.2680922	-0.22433104	-0.57179016	-0.3926097	-0.27769455	0.7111885	0.060225327	-0.21034978	-0.20727621	0.17761737	-0.41629073	-0.23004358	0.6218239	-0.037157025	0.32931602	0.16072428	-0.028857619	0.5152477	-0.69797	-0.116304114	-0.05807567	0.3573159	0.40491283	0.6618563	0.024299165	0.037085075	0.34564814	0.036998965	-0.48717228	0.09812056	-0.5730892	0.5071635	-0.60097384	-0.23747863	0.5289899	0.982868	-0.6147358	-0.9860873	-0.6423075	0.19594666	-0.18180348	-0.2996322	-0.95484346	-0.22541533	-0.29182714	0.945438	0.28708792	-0.003178235	0.51413953	0.10484512	0.05876345	-0.51301074	-0.43107292	-0.15437159	0.5686175	-0.24440111	0.17171936	-0.11353448	0.2957436	0.38327911	-0.20770809	-0.030990792	0.2754354	0.2771101	0.29925832	-0.14346753	0.17660846	0.16694929	-0.9806544	-0.012234084	-0.14081591	0.34585834	0.38709027	-0.41195986	-0.24387303	0.04935887	-0.9997411	-0.38951442	-0.16858125	-0.6627985	-0.48417625	0.175847	-0.5259851	-0.001160948	-0.43649608	-0.31262106	0.5128116	0.4317873	0.20819287	-0.07486729	0.4136174	0.99523264	0.1567145	0.098536536	0.17141457	-0.08991345	0.10749791	0.24499694	-0.24901919	-0.4493224	0.92998934	-0.66251504	-0.59455186	0.2807682	-0.4175382	-0.78246564	0.039525654	-0.26591372	-0.21079086	-0.39104006	-0.3086026	0.22342962	0.35417157	-0.026025346	0.20715758	0.99786717	-0.27159882	0.08631845	-0.28172413	-0.506986	0.7111558	-0.51149464	-0.2855883	-0.2521548	0.15404007	0.09146955	0.9990577	0.23449938	0.29697105	0.21228339	-0.13049081	-0.20937349	-0.61344475	0.38486055	0.1845297	-0.55497	-0.118427545	-0.9999294	0.0714178	0.8368398	0.069953896	0.41873547	0.5909818	0.19933428	0.10823964	0.67814505	-0.031554487	-0.5702092	-0.5474637	0.13969503	0.7254098	-0.47319642	0.11569132	-0.5029209	0.9597017	-0.56598526	-0.6082512	-0.95177436	0.5885364	0.03336889	0.083707996	-0.34647638	0.42807695	-0.6495647	0.51651865	-0.24143595	0.6174796	0.1301963	-0.10155208	0.46962348	-0.087581106	0.40762618	-0.97683203	-0.5219766	0.13409026	-0.13310274	0.24741012	0.47284484	-0.9868065	0.2005312	0.12757675	-0.6448481	-0.19764912	0.43704838	-0.33010554	0.52037364	-0.063810684	-0.17280331	-0.13202797	0.1998261	0.057693288	-0.06333251	0.046110827	0.103657335	-0.59645474	0.62312585	0.41869724	0.40655917	0.086423606	-0.3463859	0.4966344	0.42215446	0.29793972	0.30946735	-0.03118158	-0.012725012	-0.9996226	-0.32453743	0.5374961	-0.059521645	-0.33665383	-0.14396268	0.5928005	-0.15149547	-0.03363855	0.6611832	0.19779731	-0.052432884	-0.09727556	-0.32539573	-0.49061793	0.9828304	-0.17717871	0.1031241	-0.5294156	0.12463081	-0.019923296	-0.2474261	0.7102767	0.20849451	-0.34242553	0.02005957	-0.23708828	-0.52760655	0.08309939	0.066109374	0.19485267	0.90959924	-0.1788871	0.124330156	-0.42554036	0.47713703	-0.16687119	-0.24070844	0.3020372	-0.31835103	0.11481431	0.53498405	-0.97415155	-0.68328696	0.41876787	0.43702427	-0.06572293	-0.63522077	0.655402	0.07715121	0.056015186	0.1214185	0.5262427	0.35768703	-0.46578726	0.236942	0.79484403	0.37139416	0.37234443	0.34959677	0.15994203	0.23879303	-0.6177566	0.15464114	-0.5016359	0.53144675	0.85074294	0.55171233	-0.10533203	-0.38484135	0.6594498	0.2080087	0.9993769	-0.17023917	0.06960229	0.39053845	-0.12024704	-0.58765894	-0.29240584	0.14977895	-0.5828322	-0.003098619	0.99587214	0.06055426	-0.154932	-0.38603428	0.42579898	0.9999702	-0.9071422	0.10376735	0.24364172	-0.021389263	0.38738748	-0.4376644	0.02111589	-0.32354236	-0.34626642	0.18321796	-0.20771848	0.7402338	0.2895416	0.06690244	-0.5766518	-0.18152227	0.33004206	-0.44781446	-0.10587502	-0.12964056	-0.4179948	-0.9797394	-0.6400783	-0.14570667	0.7923733	0.058574907	-0.60943586	-0.40049475	0.2708803	0.39103523	-0.9483717	-0.09326556	0.123432785	-0.07856605	0.74441296	-0.31991234	-0.5884298	0.50137556	-0.40022078	0.11278349	0.14142841	-0.462037	0.28913513	0.49981293	0.4880435	0.061131865	0.8639967	0.21527772	-0.37341788	0.29946837	-0.027954811	-0.7054903	-0.06651641	-0.99128264	0.69500357	-0.2921659	0.081624426	0.413491	-0.6523262	-0.3372533	0.9996804	0.32352957	0.23656514	-0.065183766	0.11751758	0.21644217	-0.2310399	-0.7057527	0.25927603	-0.5756621	-0.47737506	-0.23400266	0.19445683	-0.5231598	0.025062151	-0.07785411	0.8260648	0.36215898	0.9983791	0.24275187	0.043229036	0.20530999	-0.769357	-0.69845843	-0.5640353	-0.2560324	-0.3681753	0.20688654	0.015664862	0.3027547	0.34356105	0.34469375	0.5102157	0.4626787	0.17484829	-0.5487289	-0.07248267	0.32443535	-0.5350546	-0.20526943	0.5733452	-0.37463096	0.3054694	0.26218298	0.4719229	0.18668151	0.19940153	0.070834674	-0.3905573	-0.12239623	0.22312184	-0.097954705	-0.43990102	-0.27105722	-0.006657952	-0.44545484	0.035280734	-0.29396763	-0.2959613	0.9999787	0.23774764	-0.9804316	-0.19107527	0.9997074	-0.82594925	0.3173185	-0.9986629	-0.29337478	-0.53960294	-0.22543298	-0.2509643	-0.1547573	0.34202296	0.48009008	0.4958144	-0.1338926	0.2855193	-0.32506844	0.0816874	0.30241638	-0.5787069	-0.99997604	0.9845964	-0.885443	0.5822556	-0.09904794	0.1907991	0.19253096	-0.50261205	-0.45886803	-0.3953411	-0.48379454	-0.023436476	-0.7297957	-0.31255695	-0.085640006	-0.020804148	0.18324462	-0.03032308	-0.00554237	-0.6867063	-0.9999256	-0.32516247	-0.10342127	-0.2073023	-0.41172	-0.40166935	-0.83320683	0.4331509	-0.007626836	0.024702966	-0.059998218	0.3077325	-0.3621661	0.9608255	0.53958124	0.79856455	0.24780373	-0.71201396	0.30172652	-0.5185387	0.038654797	0.13843833	0.02383774	0.17114834	-0.20468134	0.67616034	0.14334561	-0.4718306	-0.16164987	0.10455764	-0.1223734	0.5095926	0.024606317	-0.17555203	0.37805578	0.9206012	0.23088942	-0.42982993	-0.027901638	-0.21553692	0.16722168	0.9997102	0.43371835	-0.5498212	0.5160135	-0.43831444	0.096576944	-0.110961415	-0.90759224	-0.44130018	0.186148	-0.52469903	0.5719238	0.12851903
440	0	CCCCOC(=O)c1ccccc1C(=O)O	0.6010382	-0.10743897	-0.45010674	0.28805143	0.115722746	-0.25338355	-0.15397194	-0.1249424	0.2718093	0.37025037	0.017308557	-0.24173366	0.12043964	-0.30128145	-0.5343092	0.5432302	0.548943	0.25140038	0.24747074	0.000666756	0.54289347	-0.66593546	0.14802039	0.12614931	-0.07731873	0.23750989	0.4995164	-0.26324454	-0.1908125	0.38526294	0.35362226	0.046153523	0.051628184	-0.4037462	0.545741	-0.7233293	0.12793215	0.07458557	0.91634107	-0.5324208	-0.99352473	-0.5180645	0.1979787	0.027623083	-0.54627717	-0.9774935	-0.4228561	-0.15849124	0.9532411	0.4888765	0.08887763	0.1397726	0.1436057	0.44712266	-0.7820456	0.27471593	0.2799861	0.8353527	0.39304355	0.038471416	0.345811	0.2832412	0.34813544	-0.22558899	0.4805377	0.6538677	-0.23539798	-0.003195711	0.5536487	-0.507573	0.48404503	-0.9877977	0.2815758	0.029823964	0.09657116	0.44562164	-0.75652736	0.035138436	-0.26146594	-0.9998637	-0.40483484	0.0322994	-0.88452244	-0.059474688	0.35478744	0.071943894	0.3285999	0.2255144	-0.30636817	-0.029581577	-0.1420322	-0.095062114	-0.25981843	0.15660058	0.99900556	-0.46428958	-0.21096249	-0.19482462	-0.44916424	0.14572091	0.08452304	0.073846094	0.1378566	0.021012234	0.16655849	-0.6488207	0.58154786	-0.19469747	-0.85785866	0.22248852	0.606683	-0.31439528	-0.38401031	-0.20928204	0.18960802	0.51683664	-0.28828385	0.4494862	0.9988411	-0.32708076	0.4627336	-0.21822047	-0.08346241	0.1690605	-0.47378153	-0.10681016	0.30238307	-0.4956787	0.24904548	0.998172	0.2509606	-0.037683778	0.021553418	0.120683424	-0.23857439	-0.76681215	0.28699464	-0.010404902	-0.6988094	-0.14610896	-0.9883955	-0.056387674	0.8562222	0.5230888	0.018707186	0.41226107	0.34702	-0.31389612	0.925592	0.26344454	-0.6839959	-0.6123955	-0.024374986	0.2763814	-0.5977262	0.50358546	-0.10588301	0.9932801	-0.6657666	-0.8299455	-0.9827396	0.047003243	0.008046106	0.22142607	-0.3047153	-0.009198749	-0.45617244	0.3424669	-0.13737911	0.5814121	-0.3574633	-0.09653455	0.39400122	-0.44026008	0.7914769	-0.97338396	-0.555942	-0.022050902	-0.19806367	0.02162679	0.4461212	-0.9944753	0.26443133	-0.5824591	-0.7515912	-0.17556177	0.20472369	-0.07315147	0.006888298	-0.20917562	0.15713464	-0.3310505	0.107037425	0.36255315	0.3274897	0.29540235	0.46325144	-0.5113404	-0.043456968	0.45610538	0.29670316	-0.26110825	0.27964363	0.22924215	0.34985834	0.25612664	0.4794966	0.113579184	-0.37004238	-0.99823076	-0.34260312	-0.10939345	0.38322762	-0.40075415	0.18761034	0.087857336	-0.34824508	0.07618926	0.14088844	-0.25864467	0.1846765	-0.13139147	-0.35354713	-0.58479637	0.97860646	-0.028990285	0.13077937	-0.49174178	-0.27465272	-0.011373997	-0.14175425	0.33971083	0.4585596	-0.4827441	0.11326547	-0.1171689	-0.3984578	0.018729016	0.311886	-0.17075206	0.89333314	0.017074585	0.46704844	-0.63068426	0.24506406	-0.31103462	-0.37801486	0.46613514	-0.472664	0.26158285	0.506058	-0.9979076	-0.7140402	0.5794909	-0.03802744	-0.45800498	-0.26560822	0.24183933	0.046487942	-0.2272911	0.14582624	0.04358245	0.07089934	-0.24010149	-0.39348862	0.6390553	0.006260732	-0.18649338	0.6471366	-0.19302572	0.014627716	-0.2831159	0.041830182	-0.6188858	0.273117	-0.26147416	-0.006959414	-0.12222896	-0.42535046	0.817395	-0.52152395	0.9993184	-0.16911013	-0.26861006	-0.19757806	0.50200874	0.06130189	-0.5145378	-0.04686688	0.028694779	0.41661608	0.9984071	-0.6127325	0.8068392	-0.33353785	-0.08649632	0.996987	-0.82803696	-0.16957901	0.12694024	-0.34922948	0.48927164	-0.45846745	0.1369512	-0.5133544	-0.5825114	0.8873196	0.12808092	0.19548127	0.42936987	-0.36120924	-0.19159539	0.111235954	-0.3094307	-0.7264416	-0.23479901	-0.46005574	-0.4809892	-0.9766284	-0.72652626	-0.4009591	0.5277417	0.2059564	-0.8508118	0.10344099	0.23023486	0.43159333	-0.95315015	0.29537258	-0.042555217	0.52134234	0.20014343	0.12589994	-0.24842823	0.09112936	-0.5472026	0.41151828	0.2864541	0.47579816	-0.12557456	0.28505728	0.37521625	0.009392261	0.7963702	-0.030265681	0.048852652	0.41324517	0.3876671	-0.27610627	0.7210068	-0.99256516	0.64966303	0.02218714	-0.2497908	0.47251242	-0.4185303	0.36327854	0.99929947	0.36909217	0.5029152	0.15710616	0.028936794	0.40136936	-0.41129082	-0.59846586	0.38908747	-0.30435315	-0.5755063	0.27989382	-0.21893334	-0.43328956	-0.5853725	-0.16832808	0.85762036	-0.027380398	1	0.082990155	0.66150314	0.14451678	-0.2428472	-0.77832484	-0.43188184	-0.000373352	-0.14833945	0.36185244	-0.1519523	0.11415206	0.6674153	0.49963722	0.583395	0.035890557	-0.5394628	-0.1543195	-0.5063876	0.015142542	-0.7712657	0.2661971	0.051521335	0.08220867	0.52652514	0.33747786	0.5245057	0.31782526	0.24022073	-0.15382844	-0.6513338	-0.39040032	0.249354	0.3644013	-0.11350392	-0.25381505	0.03960737	-0.29292518	0.068887174	0.5518914	-0.28399694	0.99995655	-0.51198715	-0.9653741	-0.18409777	0.9996851	-0.49812883	-0.32816178	-0.9979048	-0.30573583	-0.25272217	0.59464365	-0.4861707	0.49962756	0.1654409	0.46029857	0.39366832	0.404647	0.6744393	-0.24950285	-0.094645105	-0.2020907	-0.49788356	-0.9999243	-0.9991625	-0.97939306	0.4358604	-0.207212	0.4863365	0.39595434	-0.599314	-0.46464548	-0.12526163	-0.11373762	-0.012625721	-0.8724341	-0.22132833	-0.13598709	-0.43510056	0.23390129	-0.08694316	-0.2874525	-0.9196775	-0.99989605	-0.49665254	-0.59615374	-0.15579268	0.12068632	-0.04113847	-0.70446295	0.49465472	-0.21082641	-0.06556356	-0.53501135	0.23819953	0.24853837	0.95233536	0.588048	0.46427503	0.32645732	-0.48692316	-0.19760968	-0.4961136	0.07174541	-0.03983699	-0.13389899	0.6031019	-0.001921917	0.19378595	-0.23500052	-0.31338188	0.001379508	-0.18803358	-0.2230542	0.40427887	-0.41838863	0.18497209	0.11851372	0.3832441	0.047345042	-0.18358517	-0.1154962	0.52353203	-0.32496074	0.9999319	0.26769432	-0.16994676	0.026959127	0.20324834	0.04940166	-0.13877943	-0.7188342	-0.47267255	0.081264	-0.19432516	0.5317312	0.22229931
441	0	COC(=O)c1ccccc1C(=O)O	0.3040983	-0.1434475	-0.6507412	0.19491178	-0.17636701	-0.20936885	-0.17181319	-0.2881596	0.078195006	0.3259987	0.38588622	-0.2014476	0.26741618	-0.33211535	-0.35748926	0.67547816	0.07163716	0.29973024	-0.048670225	-0.050438117	0.5077244	-0.7798627	0.2469528	-0.27778432	0.022193417	0.20171446	0.66805446	-0.16766891	-0.54554087	0.1765165	0.23067178	-0.025786275	-0.19217429	-0.2200128	0.12703367	-0.79243606	0.24462031	0.26650602	0.612807	-0.55518806	-0.9953862	-0.575352	-0.027231928	-0.1831614	-0.23282747	-0.993943	-0.056690402	0.11480044	0.95853937	0.6094516	-0.3901117	0.33075175	-0.053557515	0.2973683	-0.90519685	0.20806643	-0.61590886	0.8947826	0.14347653	-0.16677476	0.105793975	0.36320618	0.4525686	-0.39459917	0.58802116	0.35806164	-0.061508715	-0.11654577	0.14052705	0.20702596	0.66601354	-0.99856305	0.317183	0.15516575	-0.50902504	0.6445028	-0.8052091	-0.2549045	0.12436586	-0.99980754	-0.37119365	-0.28159508	-0.8640017	-0.28173304	0.012869014	0.8143711	0.2399206	-0.09896946	-0.45359588	-0.041659582	0.17633276	0.10326554	-0.00754728	-0.000467459	0.9967983	-0.41135737	-0.5533408	0.010233565	-0.07866013	0.046206128	0.5085443	-0.25673285	-0.11319968	-0.7574795	0.8039952	-0.63927484	0.7498031	-0.11035224	-0.7191364	0.21994409	-0.04107043	0.02418997	-0.35434902	-0.21788731	0.15607901	0.40693372	0.1704242	0.153464	0.99952275	-0.29657322	0.49285024	-0.28605503	-0.5182814	0.32494923	-0.35960758	-0.34853688	-0.26937965	0.18209124	0.14472899	0.9861519	-0.02290624	0.07902795	0.18924339	0.048532657	-0.41598457	-0.5318531	0.53766406	-0.08900021	-0.80234015	-0.25759482	-0.9784754	-0.5116429	0.8759974	0.5391453	0.059115797	0.1884508	0.068873994	0.11097372	0.9867449	-0.019857332	-0.3575216	-0.6222036	-0.35468796	0.15858965	-0.5939872	-0.02542499	-0.31245798	0.9982467	-0.5332105	-0.86058414	-0.99377024	0.4074536	0.028750112	-0.124187924	-0.25642958	0.07363631	-0.30614805	0.5478043	-0.4565033	0.46008945	-0.72607315	0.018283982	0.1055532	-0.18711467	0.65860957	-0.9819461	-0.726068	-0.42497763	-0.31515303	-0.013608266	0.030639287	-0.9972516	0.05989011	-0.31180868	-0.74350876	-0.08535615	0.40310687	-0.078862146	0.3519434	-0.08468591	0.83751	0.20353329	0.2487361	0.11760847	0.06500611	0.14482886	0.2806077	-0.51542765	-0.08704222	0.1573929	0.30057785	0.19550124	-0.3509327	-0.04356523	0.37318903	0.6006897	0.5810832	0.5749392	-0.24218385	-0.9892678	-0.099332005	0.07422716	0.31075823	-0.13879165	-0.0741266	0.31947213	-0.083686784	0.119732134	0.38978136	0.17673089	-0.12780507	-0.2543309	-0.10819673	-0.53538567	0.9837562	-0.26612058	-0.16524921	-0.36147353	0.14569083	0.058998663	-0.45097175	0.15336959	0.56651086	-0.6800276	-0.34634203	-0.54617834	-0.57156557	-0.40310186	-0.23065783	-0.29684907	0.86610824	0.011243539	0.38277423	-0.42024624	0.2720263	-0.095507294	-0.3829456	0.55145663	-0.09767292	0.19833887	0.4175202	-0.9981452	-0.69794	0.24383068	0.12855351	-0.28865126	-0.5372301	0.37039575	0.20607483	-0.25860584	0.017579809	0.09370079	0.46172866	0.13034718	-0.40056604	0.5476905	0.016499061	0.5168877	0.6085412	0.11573635	0.11650174	-0.86937076	0.21716827	-0.38878426	0.31638047	-0.43353462	0.12804082	0.18225698	-0.20182557	0.75550306	-0.25865972	0.9993528	-0.36833075	-0.19097912	0.2954059	0.24543524	-0.47862396	-0.7823075	-0.035238948	-0.22384302	0.054958638	0.9993767	0.26007313	0.90995353	0.000176671	-0.12518258	0.9951695	-0.29243794	0.15313996	-0.27582383	0.043972272	0.30973443	-0.53206974	0.40245414	-0.34012258	-0.352444	0.990682	-0.054563012	-0.41229022	0.55988485	-0.5019398	-0.29456073	0.02623638	-0.17833973	-0.8577649	-0.16489892	-0.30005038	-0.41792384	-0.9904453	-0.16206644	0.06031141	0.48637745	-0.06968403	-0.5024429	0.16421975	0.23551014	0.30122954	-0.9171132	0.11570428	-0.028947422	0.53500396	0.20689535	0.029883238	-0.6823877	0.20145123	-0.85783964	0.047137547	-0.23135932	-0.4492528	0.11629	0.78581953	0.082763344	0.012924997	0.75455934	0.18185727	0.33551407	0.37839556	0.11895145	-0.015449264	0.88898975	-0.99330693	0.431491	-0.35222083	-0.2497716	0.26390752	-0.6259008	-0.093400225	0.9970681	0.2831651	0.5527478	0.4626582	-0.20142187	-0.055709023	-0.11661383	-0.3247479	0.058384437	-0.103200994	-0.46959546	-0.20893888	-0.2420538	0.001727435	-0.39763168	0.38676143	0.92751116	-0.02445452	1	0.1656596	0.48113358	0.09054925	-0.42767477	-0.9174443	-0.49025166	-0.17883958	-0.1749578	-0.11623734	-0.1667888	0.455313	0.11534169	0.17788649	0.67930686	-0.017280731	-0.35364553	-0.1473421	0.08525301	-0.32375965	-0.6860558	0.27728766	0.7478574	0.83508563	0.82120943	0.14124085	0.020345498	0.3910002	0.035045817	0.055891834	-0.40952787	-0.5294706	0.35353628	-0.34587917	-0.1722916	-0.3123725	0.16267443	-0.1181925	0.116326	0.58878446	-0.45177424	0.999967	-0.15733	-0.9846533	-0.21315588	0.9994917	-0.17601554	0.046311095	-0.99753827	-0.1745317	0.532438	0.6851315	-0.25375465	-0.28340822	-0.3295708	0.4845431	0.88240933	0.031208841	-0.077955894	-0.041775685	-0.4848221	0.03300935	-0.57642114	-0.99992657	-0.9997236	-0.9956729	0.07467473	-0.28468198	0.47262013	0.36915034	-0.56190574	-0.85630643	0.3159637	-0.1726899	-0.28973284	-0.78155696	-0.34760106	0.2910499	-0.27634677	0.36286452	-0.2642116	-0.3421885	-0.9841612	-0.9999259	-0.6249546	-0.014618157	-0.32924616	-0.3312962	-0.20191431	-0.40422603	0.50559384	-0.12835559	-0.039449446	-0.19176655	0.26582122	0.03331614	0.9296254	0.46206033	0.84459215	0.26044732	-0.5943565	0.09425941	-0.3601887	0.34000102	0.10480534	0.05371851	0.84301555	-0.20380963	0.19793275	0.16269523	-0.34181857	-0.19400886	-0.13892876	-0.6305879	0.60828847	0.07964379	0.09005194	0.5562396	-0.57612514	0.37553415	-0.1268046	-0.37175608	0.30201432	-0.121242926	0.99932045	0.24527515	0.008509008	0.08640694	-0.028163696	-0.3700612	0.14242466	-0.033879127	-0.20701832	-0.17303285	-0.1722249	0.7718615	0.17272258
442	0	CN(C)C(=O)Nc1ccc(Cl)cc1	-0.892445	-0.02296773	0.16893348	0.69733584	0.009325519	-0.5364109	-0.4516939	-0.10717844	-0.5204446	-0.25892922	-0.72830045	-0.40118662	0.031716608	-0.4941527	0.26534358	0.22422206	0.047339983	-0.033700414	-0.04512979	0.40086123	0.40835193	-0.8148176	0.35870296	-0.051495597	0.16151674	0.58557516	0.28922635	0.035780225	0.009596771	0.29383546	0.26901767	0.39955148	0.2776448	0.040203203	-0.10944357	0.294092	-0.13025679	0.7196066	0.35405245	-0.9005756	-0.9973685	-0.4244298	-0.40477934	0.28528687	0.61372447	-0.99591655	0.158734	-0.15769175	0.8620213	-0.49986923	0.34926444	-0.11212546	-0.031215357	-0.12699379	-0.8127171	0.21265331	-0.567618	0.94268644	-0.14637604	0.40134305	0.045576036	-0.29198286	0.1670973	0.21750581	0.29084268	0.32930517	0.42010874	0.5095022	0.11082633	0.12927648	-0.06844164	-0.99108046	0.5849318	0.31778094	0.46664003	0.38498598	-0.26034546	-0.5383833	0.5707633	-0.99870765	-0.6429013	-0.11224409	-0.7729886	-0.08052767	-0.3299845	0.12751745	0.39071283	-0.18964343	-0.285437	-0.3575649	-0.11839894	-0.14275403	0.25541434	-0.06372958	0.96168524	-0.46172538	-0.13155513	0.17611314	0.33335847	-0.6100438	0.16497079	-0.3966012	0.4596362	0.5845827	0.80523527	0.0886622	0.5713338	0.5249205	-0.62193716	-0.3191409	0.035104636	-0.22024058	-0.0826367	-0.07961098	0.14433222	0.31765798	0.58001244	0.672113	0.99937004	-0.25441107	0.15438206	-0.35880888	-0.11429471	-0.030462002	-0.3947655	-0.17359352	0.07740698	-0.21917054	-0.4667311	0.9992385	0.40251663	0.02888039	-0.04323362	-0.08709311	-0.2940197	-0.8754429	0.45423436	0.46961832	-0.73884994	-0.08325951	-0.9902369	0.17898023	0.98095506	0.11665344	-0.08537913	0.41096184	-0.1598525	-0.19796164	0.9898472	-0.67072487	-0.20023873	0.7831087	0.13433598	0.55336887	-0.69432324	-0.16037017	-0.037621524	0.99876827	-0.20488834	0.26181072	-0.98935235	0.055682622	-0.102092944	0.2531846	0.37544394	-0.4374802	0.1641522	0.26283112	-0.47376212	-0.122329876	-0.50010526	-0.097773165	0.096649736	0.3008244	-0.25551876	-0.965253	-0.75108874	0.16502352	0.23494992	-0.5360476	0.28292423	-0.38400504	0.26472625	0.21403208	-0.94126165	-0.5824396	0.53765154	0.5184883	0.25521094	-0.38480794	0.25316647	-0.3873065	-0.123047225	0.36991313	0.20681474	-0.5060493	0.43926898	-0.8900109	0.44738758	-0.13367328	-0.33318806	-0.13393527	-0.78290844	-0.29574588	-0.07674733	0.2868856	0.38897157	0.16752887	0.11474036	-0.97043794	0.24030901	-0.1876894	0.023190243	-0.35963064	0.26271722	0.45606798	-0.18746927	-0.5741072	-0.14158252	0.41814983	0.5226701	-0.47275847	-0.5421351	-0.3103218	-0.82217675	0.19714025	0.010164765	0.10880744	-0.06747165	0.10488764	-0.25437826	-0.52045184	0.46436405	-0.079591714	0.33909145	-0.2923233	-0.18412717	-0.22536817	0.3040746	-0.095980294	0.81020176	0.046427194	0.07034762	-0.6943691	0.47545695	-0.4149449	0.29692143	-0.2694506	-0.2902853	-0.18468495	0.8125499	-0.9982264	-0.013293793	0.23295543	0.1519528	0.32109094	-0.71350104	0.31186023	0.41790435	-0.49108008	-0.45594034	0.15983704	-0.44846863	-0.4150211	0.70935583	-0.101856574	-0.21648449	0.38028866	-0.08383533	0.22634436	0.15932846	-0.7613865	0.14814007	0.23932238	-0.003075582	-0.24989538	0.6932308	-0.044008642	-0.60818964	0.21563493	0.022705046	0.99977404	-0.24174406	-0.03467151	0.29294118	-0.28148904	-0.40011442	-0.20012482	-0.12329142	0.056427095	0.33798093	0.99961334	0.21265104	0.4584724	0.48071077	0.20324384	0.9955765	-0.9053486	0.66804624	0.082287945	-0.52852774	0.07707216	-0.16569062	-0.08245258	0.031509273	-0.18677282	0.99328697	0.19511293	0.59991246	-0.13924618	-0.3928294	-0.22711892	-0.31231853	-0.3312267	0.7859882	-0.57905275	0.20169738	-0.12795193	-0.9911701	-0.10338256	-0.64862496	0.43277207	-0.027416332	-0.13477585	-0.32950222	0.001115078	0.06146797	-0.9488474	-0.102363706	0.35147598	-0.30866012	-0.041856263	0.27852806	0.01854048	0.008999046	-0.23420827	-0.33362043	-0.027379103	-0.5639403	0.2976945	0.067570955	0.060081575	-0.16704015	0.74354166	0.025997907	0.28584445	-0.44225833	-0.32604733	0.052245885	0.813361	-0.9980354	0.210529	0.28596136	-0.40316573	0.024836583	-0.38753864	-0.08583833	0.9984588	-0.18362904	-0.6259437	-0.42212757	0.20947273	-0.28120685	0.20285441	-0.7292645	-0.6415337	0.13612852	-0.69439745	-0.2910472	0.52607226	0.33767077	0.00188194	-0.22321028	0.9126022	0.028684268	1	-0.06456925	-0.6195797	0.2177883	-0.56131595	-0.81454635	0.10572997	0.0773946	-0.049392816	0.32347798	0.098947786	0.15287167	0.3039334	0.5501236	0.4826172	-0.2387279	0.42884654	0.18467842	0.2086534	0.20662339	-0.4223524	0.23736203	0.43594941	0.19735724	0.028513871	-0.7524206	-0.2584764	-0.122067794	0.4246671	0.07031432	-0.43369088	-0.5145438	-0.39179406	-0.34724766	-0.09513775	0.6616857	0.26715186	0.2902083	0.000359647	-0.11490787	0.36661714	0.9999842	0.3030928	-0.97795874	0.26917484	0.99980974	-0.20014882	-0.18185648	-0.9992923	-0.43284932	0.042522043	0.29467788	-0.5177436	-0.76043427	0.030606639	0.1624613	0.54482687	-0.020322714	0.16255367	-0.29480067	0.08012161	0.34218165	0.43443808	-0.9999843	-0.99984246	-0.9870439	0.021121416	0.163339	-0.18785983	-0.5175174	-0.32302698	-0.861201	0.089701705	-0.3486078	-0.030881051	-0.6418461	-0.1260889	0.17829885	-0.07129776	0.078038424	-0.15069292	-0.10110351	-0.98222595	-0.99996084	0.09206136	-0.020981696	-0.10116799	0.15237108	0.16789767	-0.9850345	-0.4857104	0.08621602	0.28477612	0.0130933	-0.40206158	0.45796245	0.9099819	-0.19445902	0.9562603	0.26755932	-0.102397785	-0.079001665	-0.5971657	-0.32759798	-0.05138632	-0.27032954	-0.24019614	0.2539146	0.016268129	0.28444374	-0.19461744	-0.56771916	-0.6207709	0.5391103	0.6042647	0.089108996	-0.09142353	0.13232417	-0.6906789	-0.28039992	-0.35727698	-0.12209316	-0.6569885	0.49643546	0.99991035	-0.017997546	0.5121792	0.5005936	0.36686432	-0.080052495	-0.04713326	-0.077727154	0.48404583	-0.39823192	0.3362592	0.66940033	0.22673416
443	0	CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1	-0.30410075	-0.05625293	0.61439735	-0.29636207	-0.18883072	-0.2353732	-0.5298455	-0.18109979	0.23518606	-0.12909418	-0.31925166	-0.35288107	0.47096175	-0.7636525	0.105865166	0.0594394	0.27695766	-0.705309	-0.36958814	-0.042172547	0.5037231	0.004398973	-0.605976	0.10621286	-0.18770534	-0.07198843	0.4093321	0.09884052	0.13908519	0.006044658	0.6179171	-0.5014735	0.6638025	0.47510237	-0.33395356	-0.23575434	0.5619146	-0.04629096	0.9905274	-0.6900473	-0.8350308	0.5726108	-0.015491203	-0.1809547	-0.38167563	-0.85661095	0.110633895	-0.14576137	0.8891903	0.30896997	0.5346538	0.37844414	-0.2160906	0.2203617	-0.8929986	0.08593082	0.040413704	0.34375513	0.4298093	-0.038015947	-0.093766935	0.29373273	-0.0826096	0.086890236	-0.07475354	0.016567085	0.25362766	0.7943038	0.022838116	-0.11871229	-0.61845016	-0.9034229	0.22823778	0.22609214	0.6628739	-0.04273282	0.6978628	-0.2715763	-0.6495799	-0.99916553	0.54313576	-0.39437932	-0.93189895	0.84508425	-0.26877746	-0.7982731	0.65570575	-0.26334515	-0.3460441	-0.37328777	-0.3127944	-0.025599135	0.05419156	-0.43379512	0.9924745	0.39063838	0.47778147	-0.4801532	0.45026898	-0.019594634	0.058648247	-0.5219861	0.007985717	0.828178	-0.9260225	-0.8210737	-0.68161947	0.14062776	0.9874105	-0.56240904	0.45464626	0.23339447	-0.6055293	0.8419453	-0.67169315	0.21214771	-0.6433426	-0.15849186	0.9965324	-0.19538574	-0.6787159	-0.23477335	-0.44010508	-0.13905498	-0.46962315	-0.20990786	0.19250429	0.10342696	0.34059644	0.99973714	0.58981913	0.17557824	0.18716273	0.5940464	-0.1405755	-0.9932789	-0.36050135	-0.16316313	-0.079605184	-0.6860315	-0.99991	-0.42583346	0.89745355	0.2808885	0.7232423	0.43943995	0.18636273	-0.009629017	-0.082232594	0.14509878	0.20732781	-0.90173656	0.4638279	0.44742507	-0.31874093	0.4736817	0.7765176	0.8828241	-0.3027218	-0.8940484	-0.9389537	-0.38491753	-0.73968077	-0.86297184	0.00020159	0.00357617	-0.090077564	-0.41300133	0.16885835	-0.13859218	0.4546659	0.74908406	-0.555671	-0.116626106	0.20963034	-0.47684085	-0.45261577	0.120465115	-0.42855647	0.072354496	0.18064287	-0.89850104	0.039593913	0.23458827	0.05993244	0.38268366	-0.035637945	0.60696477	-0.7859146	-0.41931468	-0.5440443	-0.72565514	-0.049923465	0.3537715	-0.21120994	0.3916224	0.14628862	-0.3185153	0.08520826	0.6838719	-0.2488746	-0.13227011	0.28808582	-0.16073339	-0.12548502	0.15846299	-0.2960817	-0.09947298	-0.51857847	-0.9994033	0.036721732	0.056827653	0.31161842	-0.09837304	0.09015054	0.49173504	-0.18351407	0.27675447	0.06835639	0.05184286	0.50719756	-0.27417973	0.43742868	0.052544657	-0.9540451	0.5001807	-0.057650235	0.19243056	-0.10223621	-0.14007646	0.30952817	-0.5237525	0.6073769	0.32563755	0.6141373	-0.53386855	0.5351269	-0.89199734	-0.07501756	-0.62794936	0.8935949	-0.12273909	0.12630634	-0.03094617	0.12151251	-0.58144015	-0.38288963	-0.09516759	-0.18138194	0.7580732	-0.20794578	-0.9598751	0.39440528	-0.18619163	-0.030946769	-0.7623272	0.6010119	0.27732578	0.11939366	-0.181168	-0.5202787	-0.23538367	-0.32686108	0.006403895	0.5486703	0.058405433	0.5151175	0.030656159	0.781842	-0.53722894	-0.093475334	0.9927224	-0.8305583	0.30248463	-0.58442134	-0.114024125	0.67079735	-0.8831639	0.25854093	0.17830063	0.73304963	0.998612	-0.282565	0.32692873	0.1206627	0.8434821	0.35785013	0.82084554	0.856558	-0.106601976	0.23150305	0.98890114	0.069486074	0.7898654	-0.008435327	-0.89364463	0.9999849	-0.9809348	-0.29514304	0.5991874	0.00766594	0.35544646	-0.43441156	0.61630005	0.8753385	-0.15250474	-0.46498024	0.014603362	0.46057937	0.45428056	-0.22904094	0.038016107	0.39773738	0.10225926	0.18497173	-0.070509136	0.022877304	0.50031704	-0.9999343	-0.67080355	-0.560781	0.24083346	-0.25644672	-0.65091294	-0.02420916	-0.48822662	0.62795675	-0.64021397	0.49954948	0.08550645	-0.42143348	-0.5113012	-0.36283302	0.5500504	-0.17446238	0.4109657	0.098158464	0.89555615	0.22244343	0.008368498	-0.31665862	-0.65612066	0.8125911	0.5594988	0.56435424	-0.2112458	-0.9305774	0.6515098	-0.62788993	-0.114054665	-0.97719145	-0.20491825	0.6857778	0.476448	-0.1435427	0.7510092	0.65351796	0.9997959	-0.58796525	0.35910955	-0.2596976	-0.17886733	0.010090324	0.27029264	-0.5630264	0.10920729	0.24118665	-0.33832395	0.19837785	-0.09319069	0.124144755	-0.45802906	0.018251548	-0.28328702	0.59654504	0.99324435	0.19571179	0.20444568	0.48998475	0.8645832	0.14250942	0.22796503	-0.049315926	-0.19772817	0.31189388	0.5379691	-0.42624667	0.62216204	-0.62229246	0.4695284	0.5683679	-0.061232395	0.14313225	0.49148077	-0.007408974	-0.76024956	-0.5446844	-0.66211665	0.46753198	-0.12840152	-0.025706599	0.5608082	0.34187362	0.49868295	0.038316306	-0.060601253	-0.45929837	0.79679257	0.081380956	0.25040463	0.479954	0.42438143	0.13729313	-0.2552952	0.46519098	-0.072202355	0.99999976	-0.44024882	-0.9447979	-0.4580499	0.9983227	-0.6207813	0.3484967	-0.9999289	0.102513194	-0.072473854	0.36018488	-0.13838544	0.30041143	0.46682423	0.33302996	-0.17515035	-0.1667752	-0.19911909	-0.25127104	-0.7928784	-0.41713688	-0.4214964	-0.9999429	0.9963352	-0.86158663	-0.4218877	0.591574	-0.2440123	0.82476413	-0.10102116	-0.44863892	-0.53353524	-0.26150316	0.071453914	-0.45746222	-0.20258524	-0.60559344	-0.2749668	-0.004070408	-0.34149125	-0.43673953	-0.13586345	-0.99985427	0.74270856	-0.66244733	-0.5406857	0.087924786	0.42040184	-0.77493775	-0.54373497	0.004835143	-0.043623045	-0.17979245	0.2950251	0.59966046	0.9489824	-0.022842236	-0.061900996	0.030784205	-0.025373707	-0.18279341	-0.03526482	-0.592987	-0.7426324	-0.33624613	-0.01872853	-0.6177674	0.04419999	0.46322727	-0.26642793	-0.10985382	-0.29646346	-0.0278303	0.38613144	-0.36733988	0.61905146	0.22567712	0.9614849	-0.2621932	-0.19449344	-0.12029545	0.23009406	0.2773378	0.9996059	0.45884764	0.070113935	-0.07825136	0.13313481	0.48397523	0.099217944	-0.9870819	-0.5729657	0.20687264	0.31072772	-0.08079262	0.46896917
444	0	C=CC(=O)NCNC(=O)C=C	-0.7146732	0.5493667	-0.48143828	-0.12273135	0.1824267	-0.078786395	0.031688187	-0.5229596	-0.4588292	0.010208589	0.64714307	-0.2828151	0.13761401	-0.4695823	0.7678171	-0.02133731	0.5607494	-0.40641057	0.23557492	0.58945006	0.34793085	-0.91276574	-0.31789604	-0.28105214	-0.3533579	0.34182215	0.5326521	0.5194023	-0.36371374	-0.10873676	0.57450557	0.45327383	0.554477	-0.2957239	0.4767774	0.2553324	0.5273601	0.48370555	-0.042822313	-0.46952415	-0.7941336	0.038598485	-0.62600446	-0.24802583	0.1771523	-0.9953566	0.12431471	-0.16189852	0.9572199	-0.037175078	-0.29870704	0.064430006	-0.16092552	-0.6916427	-0.4078404	-0.46450946	0.53684044	0.9399404	0.3920551	-0.78772295	-0.17481408	0.005843032	-0.5117615	-0.5511913	-0.37552753	-0.37183848	0.15821064	-0.44908404	-0.34627172	0.10931493	-0.3226206	-0.99990356	-0.42462313	0.8417002	0.22177725	0.63784945	0.23953907	-0.04480389	-0.03178412	-0.9999774	-0.8377634	-0.2548152	-0.13429672	0.07362114	0.10037063	0.9748735	0.51208824	-0.550629	0.076585755	0.20473687	-0.015117561	-0.2354472	-0.73811525	-0.25909963	0.9975943	0.22763048	-0.85779715	-0.11884232	0.016257077	0.19750416	-0.80767995	0.37248734	0.2840243	-0.21796225	0.8921936	-0.20361662	-0.46654153	0.14116499	-0.99747044	0.25824735	0.081790596	0.35048887	-0.18970636	0.039409574	0.08978371	0.1664128	0.34895757	0.36146772	0.9992667	0.48185602	0.16686188	-0.8202439	-0.1265459	-0.27874753	0.21233338	0.098983906	-0.52831	-0.049367048	-0.08103341	0.902973	-0.04827939	0.18749453	0.4132546	-0.41001785	0.4676902	-0.83432114	-0.40057266	0.06757155	-0.5591392	0.64659035	0.99970394	-0.54075015	0.88283926	0.705213	0.78129697	0.20308682	0.2116581	-0.14360425	0.98297644	0.10835145	-0.50637466	0.48812857	0.05572501	-0.15122919	-0.11862841	0.64317167	0.15380505	0.99888986	0.16529194	0.90311944	-0.99349594	0.54993665	-0.17351256	-0.30730867	-0.037728712	0.68062997	-0.021238977	0.21104288	0.20762292	0.5309121	-0.5570103	-0.029047577	0.14252578	0.24099447	-0.3320313	-0.799937	-0.7614867	0.3615867	0.2929638	-0.7704455	-0.2779556	-0.956132	0.6055786	-0.31747055	-0.67717004	-0.29243532	0.18740991	0.06948224	-0.5901462	0.32432747	-0.072381325	0.5394604	-0.106658034	-0.16298667	0.01770294	-0.17693822	0.49822685	-0.923537	-0.26975247	-0.91525245	-0.28148523	-0.03341321	0.32261226	-0.43482164	-0.24662994	0.12965558	0.3384699	0.07553544	-0.23170951	-0.9702027	0.2680542	-0.09498193	0.4174377	0.00777649	-0.23178945	0.40498757	0.44089317	-0.78602934	-0.1936158	0.3563805	-0.2762133	-0.40829563	0.4111049	0.39837685	-0.9478606	-0.13193625	-0.5929476	0.7539433	0.5629914	0.33149394	0.047426354	-0.5098733	0.4336922	-0.003985115	0.026124867	0.030974953	-0.2135374	-0.43381295	-0.16297016	0.057762597	0.67326516	-0.3992241	-0.022724908	-0.6431551	-0.69428086	-0.4742182	0.20561127	0.6262829	-0.29498628	-0.31510243	0.7830668	-0.99982095	-0.071747705	-0.1975351	0.14498118	0.6625524	0.27691355	0.65580887	-0.19430538	-0.021224838	-0.2854395	-0.124356784	-0.6511526	0.44590485	-0.0837711	0.23270686	0.088956095	0.69505274	-0.21545829	-0.07239327	0.31791958	0.8330325	0.2789075	-0.22296612	-0.006199593	-0.8275218	0.30919412	0.7397953	0.344022	0.7089216	-0.10990508	0.99950063	0.040350582	-0.83772624	0.4936813	-0.7299145	-0.5392962	-0.9696979	-0.98744965	0.68499327	-0.040622268	0.9994584	0.06365284	0.5715603	0.23518151	-0.26211464	-0.99847376	0.33828375	0.6423975	-0.8488863	-0.013562027	0.8415214	0.51106274	0.076852776	0.050201625	-0.006673233	0.9960474	-0.38001996	0.45455423	0.063513845	0.14322717	0.13853191	-0.12165848	0.48189917	-0.2480238	0.8168554	0.20097683	0.047914937	0.94214875	0.40010762	-0.1372313	0.3903318	-0.11685043	0.24107581	-0.09019477	0.19388163	-0.12527534	-0.58848345	0.31263387	-0.14842784	-0.3754384	-0.18507116	-0.05849041	0.2934302	0.08364011	-0.9786348	0.34888634	0.09402467	0.043387614	-0.5579248	0.7531835	-0.28543347	-0.55084324	0.77806324	-0.40680993	-0.16042657	-0.7218757	0.44936135	-0.25716996	0.948659	-0.99475694	-0.46583644	0.069479555	-0.6198172	0.6533902	-0.3674597	0.3488437	0.9983037	-0.007280061	0.18928063	-0.7362377	0.13800764	0.6617072	0.31831327	0.21823277	-0.5869948	0.40637213	0.32449105	-0.63254356	-0.1458663	-0.34601068	-0.522332	-0.71155906	0.8827201	-0.011437066	1	-0.37453556	-0.15289193	0.012927118	-0.32390705	-0.91424614	-0.29641473	0.85207427	0.2635956	0.7050173	-0.4572104	0.18191513	-0.23544367	0.7957801	-0.23554246	0.13547966	-0.62800986	-0.43733016	-0.36271003	-0.14925276	-0.9022321	0.46867833	0.4313187	-0.33156466	0.6482363	0.2847211	0.38212204	0.25873148	-0.52365667	-0.05280816	-0.26946846	-0.3096546	-0.3523235	0.23694603	0.21451578	0.5108016	-0.25166574	-0.098308824	-0.3015337	-0.48049667	0.014194473	0.945435	0.4204541	-0.72860867	0.033243604	0.9989906	0.39551517	0.36482707	-0.96708024	-0.28148013	0.26828218	-0.2266701	0.062698364	-0.28593266	-0.23172088	-0.20623913	0.8971157	0.67004365	0.23089741	0.27208215	0.33347416	0.07208766	0.30247104	-0.99994254	-1	-0.99506944	0.12342359	-0.69096744	-0.22563167	-0.6066497	0.000208724	-0.6744766	-0.3383095	0.43838263	-0.07860915	0.2493498	0.020133661	0.24197811	0.09953132	-0.194281	0.3635283	0.30379555	-0.99101084	-0.9998877	-0.548031	-0.39971468	0.25802267	0.20864157	-0.14452532	-0.36562973	-0.51594293	0.74188256	0.63280666	-0.41050398	0.025860684	0.1571114	-0.9429412	-0.21678151	0.3251301	-0.093263984	-0.46088657	-0.34849072	-0.53413206	0.22194733	-0.6423573	0.51819885	0.87342566	-0.89045185	-0.54554784	-0.6084641	0.039653588	-0.30424932	0.7183245	0.2000251	0.110361196	0.2368752	-0.23990388	0.5864759	-0.84990364	-0.44599292	-0.028825447	-0.351795	-0.3553115	0.19098026	0.9999755	-0.14860421	-0.16092402	0.6767929	-0.70080805	0.33957645	-0.7705527	-0.32000062	0.27600804	-0.7257038	-0.34519118	0.55118704	0.2953926
445	0	Cc1ccc(N(C)C)cc1	-0.6491665	-0.49816203	0.13131444	0.06893928	-0.17019022	-0.08849713	-0.55974394	-0.06663441	-0.64699376	0.051396966	-0.7436933	-0.36712256	0.0785878	-0.31438142	0.13620855	0.42112285	-0.40513328	-0.21049488	-0.4686388	0.18922265	0.02643513	-0.8841408	0.49151623	-0.081501015	0.3524917	0.40264398	-0.23944755	0.27443328	0.21906522	-0.2746567	-0.5134602	0.47943702	-0.25419554	0.3612946	-0.56554264	0.4901567	-0.6310478	0.8133635	-0.6265918	-0.93679905	-0.9990111	-0.7400698	-0.16364388	-0.36245447	0.32398987	-0.9965942	0.17853783	-0.18742852	0.987214	-0.61512005	-0.14144753	-0.3059905	-0.3172018	0.045394614	-0.9376326	-0.21511123	-0.36746168	0.9579115	-0.16802068	0.010787627	-0.31384882	-0.46446678	0.4093247	-0.36779028	0.37384158	0.3321822	0.41018528	0.5293462	-0.31023726	0.6791613	0.94707024	-0.99072456	0.34573072	0.47429913	0.7605148	-0.2582274	0.08512492	0.007060656	0.09347158	-0.99514204	-0.34526765	0.2558907	-0.7546256	-0.4071244	0.17357284	0.41544282	0.553706	-0.049232706	0.2722492	0.054525215	0.4364315	-0.15861541	0.001528587	-0.05432215	0.053531732	-0.32912943	0.3412674	0.020232227	0.39884567	-0.10684512	-0.3332228	-0.090511374	-0.012025498	-0.60071826	0.9766579	0.33682445	-0.12488505	0.59060395	0.99091995	-0.42227274	0.3653704	-0.068562746	0.21817392	-0.33514342	-0.213446	0.5613748	0.45149955	-0.25418547	0.9991088	0.2062236	-0.14955544	-0.14676203	0.20594212	-0.14033686	0.28168273	0.21287191	0.26424152	-0.087228656	0.001383423	0.9992488	-0.10363503	0.09210967	0.009511921	-0.115632646	-0.11979331	-0.79731613	0.19912456	0.4365082	-0.57716024	0.000279332	-0.99274564	0.30820775	0.9963033	0.28821445	0.13145502	0.20866862	0.17885874	-0.6435868	0.99791265	-0.3694702	-0.10074582	-0.42550775	0.068389505	-0.116482586	-0.33758974	0.030106742	0.16072348	0.9994503	-0.28606105	-0.93621486	-0.9940319	0.21427292	0.1741684	0.12044215	0.26691177	-0.11768055	0.69219273	0.37751007	0.18023364	-0.2195688	-0.7603113	-0.6533482	0.28421745	-0.5213493	-0.34891084	-0.9713655	-0.63942856	-0.32032418	-0.6297594	-0.45779982	0.3955265	0.66229117	-0.28910032	0.22890697	-0.935135	-0.4431313	0.6223936	0.14388357	0.078074366	-0.28954396	0.652943	0.025517885	-0.21350157	0.045039035	0.3236232	-0.12341616	-0.014865636	-0.90580887	-0.11249393	-0.4315521	-0.41771176	-0.3737983	-0.814309	-0.105157	0.3344033	0.37461147	0.04994639	-0.08105472	-0.068704195	-0.44365907	-0.22723246	0.069287255	-0.11562443	-0.097583674	0.33375353	0.38640088	-0.26108894	0.1827645	0.23934278	0.52182263	0.22443521	-0.33629006	-0.49762973	-0.2992964	-0.90740955	0.112084724	0.26692888	0.3814531	0.29252592	-0.15412669	0.4179923	-0.31216887	0.124721766	-0.15870754	-0.49265158	-0.7046632	-0.40131447	0.34213316	0.25808823	0.21602233	0.92043656	-0.290045	-0.22501078	-0.56765115	0.27174118	-0.030416152	-0.2820789	0.15438125	-0.14119473	-0.2892372	-0.52192444	-0.99703246	-0.45085922	0.2820956	0.43483806	0.36311567	-0.40594107	0.42617333	0.1711651	-0.27721334	-0.35857904	0.58828324	-0.018343933	-0.53982097	0.40467066	-0.016508583	-0.028605051	-0.006042127	0.12349209	0.74829406	0.115109935	-0.8650202	-0.02975293	0.10855979	0.23220539	-0.3203008	0.14810781	-0.31505218	-0.72172266	0.07794244	-0.29570854	0.9995881	0.045926742	0.41838628	0.006810315	0.40279952	-0.24237794	0.47993198	0.9664459	-0.092645384	0.25599667	0.99960405	0.06356729	0.8382944	0.35414332	-0.15315191	0.9908795	-0.91574347	0.47999263	0.13239567	-0.68825406	0.107619576	0.013620732	-0.43300554	0.44772306	-0.5018533	0.99890167	0.08152747	-0.0764173	-0.25696108	-0.6093216	0.16474238	0.2986061	-0.018570868	0.9351958	-0.2991549	0.28203148	0.025586115	-0.99997735	-0.47053418	-0.34487897	0.06369158	0.1068193	0.21722767	-0.19657001	-0.29863453	0.21179745	-0.9060172	-0.25853425	0.13551752	0.0670045	-0.41238937	0.40749282	0.3369034	0.22748981	-0.06710181	-0.42134827	0.25585347	-0.5959241	-0.23808911	0.109285615	0.17098619	0.40924624	0.55350786	-0.05936689	0.29468834	-0.22247167	-0.251914	-0.041286405	0.95983684	-0.9965596	0.05501449	-0.5345378	0.0918232	-0.032490753	-0.06695625	0.3548491	0.98841417	-0.2848125	-0.7828808	0.07485053	-0.08361244	-0.20840423	-0.062959686	-0.5557582	0.18522838	0.5669642	-0.6498155	-0.6330149	0.19119631	0.28091627	0.044086102	0.06981783	0.9613098	-0.38527298	1	-0.18232201	-0.289506	0.08294935	-0.43107814	-0.88443416	0.1421584	-0.037479375	-0.49010345	-0.53860456	0.0891728	0.06474875	-0.5172054	0.31431958	0.5694888	0.07901424	-0.003455374	0.34192228	-0.072593704	-0.11934978	-0.15036191	-0.07623689	0.25222805	0.8651702	-0.004151161	-0.98376083	-0.012991106	0.03653272	-0.020231433	-0.06877856	-0.71608037	-0.61688066	-0.4812224	-0.12826993	0.28149712	0.80671555	0.11113319	-0.37941462	0.1215069	0.030488387	0.17832708	0.9999999	0.44206798	-0.99221516	0.2762215	0.9986294	0.03549582	-0.05425195	-0.999932	0.07038166	0.4149231	0.4436891	-0.22692354	-0.5936386	0.28705344	-0.32844168	0.65903866	-0.60155135	-0.54684365	-0.09025001	0.13313754	-0.110002905	0.2602189	-0.9999421	-0.9995158	-0.9952923	-0.05395131	-0.14682625	-0.2262338	-0.22009923	-0.36984885	-0.7880056	0.5913577	0.26288724	-0.3133564	-0.72268224	-0.4807643	0.54494387	-0.5659906	0.21678461	0.21631496	-0.012364865	-0.99344647	-0.9999267	-0.08733999	-0.046400253	-0.061903603	0.09895006	0.059524067	-0.9960704	-0.35932928	-0.23264611	-0.11135938	-0.19879848	-0.47793204	-0.7149284	0.91370106	0.33790818	0.95469844	0.026364824	0.701814	-0.09672478	-0.82762206	-0.1855394	0.027520293	-0.2524744	0.04879925	-0.053902827	-0.41939774	-0.1226825	0.001741941	0.11898463	-0.019905724	0.17653045	0.3907518	0.2887475	0.052065723	0.39566213	-0.9702865	-0.38107654	-0.19127962	0.06593473	-0.5448117	0.4571532	0.9979913	0.4082102	0.14429533	0.018754903	0.10735637	0.11431691	-0.14181885	0.84703225	0.03984455	-0.25110817	0.11131632	0.764412	0.30065185
446	0	CCCCCCCCCC[N+](C)(C)[O-]	-0.6160729	0.1621684	0.16926382	0.3886737	-0.089602694	-0.30283162	-0.046162978	0.27951592	0.54389477	0.16673143	-0.8154339	0.2793357	0.18020412	-0.15001227	-0.048042975	-0.2255217	0.47143787	-0.32121727	0.38119808	0.2083855	-0.5115883	-0.8037118	-0.358268	0.7210858	0.6897824	-0.22659554	0.5545756	-0.006375806	0.44911468	-0.41712815	0.16003917	0.831384	0.6888317	0.2393408	0.28502652	-0.10475409	-0.09396898	0.7953513	0.6284862	-0.7823114	-0.99115497	0.2640801	0.25554478	0.16299821	0.3400074	-0.9906051	0.5097832	0.21668033	0.99865806	0.10886182	0.533896	0.40204415	-0.045578137	-0.33932889	-0.87930053	0.03056758	0.91891927	0.9312456	-0.5376702	-0.003730958	-0.18940611	-0.5660147	-0.3278805	0.3887506	0.36840183	0.60367113	-0.3187275	0.07568115	0.48236844	-0.21048865	0.63784367	-0.93131924	0.3090945	0.8263689	0.72133476	0.4615394	-0.019327454	0.5189208	-0.11726377	-0.9999778	0.5309419	0.49647683	-0.9738941	-0.4807291	0.2798752	-0.3883249	-0.08418014	0.4351287	-0.090425074	-0.55277216	-0.22110495	0.1980367	0.53964704	0.3887666	0.9790696	-0.58628964	0.62121356	-0.094890445	0.19379357	-0.78665984	0.6778012	0.01673587	0.31925038	0.7927793	0.68995565	0.5002966	-0.09072402	-0.32756737	0.99766463	-0.84341764	0.69734454	-0.29426834	0.67691696	-0.34263828	-0.21755251	-0.36279252	0.31144637	-0.50214463	0.9983637	0.6182032	-0.2382435	0.4712056	-0.07428938	-0.4863276	-0.12419085	0.030195853	0.20144421	-0.50615996	0.40205625	0.9998149	-0.059713073	0.17253177	-0.2511192	0.6347221	0.118884295	-0.96924675	-0.5315475	0.2294808	-0.17246339	-0.36988702	0.9972458	0.30783632	0.9822911	0.41257545	-0.64194053	-0.10023463	0.4560745	0.30014783	0.9580546	0.645981	-0.26164272	-0.8149495	0.5964248	0.41899604	-0.1179717	0.69865125	0.34876922	0.99740815	-0.04155605	-0.9599207	-0.97316587	-0.60006607	0.6496568	0.22553904	0.777727	-0.37899002	0.10354915	-0.64894193	-0.41612062	-0.13016461	-0.58627915	0.30868983	0.17782347	0.46065956	0.28296483	-0.9592238	-0.6840974	0.20683217	-0.54869056	-0.31888875	0.06944052	-0.2534937	0.4615232	0.28858483	-0.8379397	0.39496872	-0.101405874	0.36065134	-0.29912162	0.25005534	-0.8199451	0.45159993	-0.020134566	0.7596495	-0.004645776	-0.005375113	0.32792965	0.029125556	-0.08159457	-0.065618284	-0.4944609	-0.5467977	0.054195378	-0.040355552	-0.1727827	-0.18533683	0.014172887	-0.25155324	-0.015502855	-0.99436647	0.39953756	-0.008199566	-0.050915446	-0.49566573	0.804112	-0.055600367	0.3217164	-0.2466779	0.36157537	0.28300926	-0.35900217	-0.056899317	-0.45018616	-0.019263038	-0.97724706	0.5512427	0.27314746	-0.3715228	-0.44081008	-0.67463213	0.0814542	-0.2066789	0.21904992	0.11733302	-0.4312879	0.25854588	-0.1692568	0.189337	-0.14289753	0.02625505	-0.9921385	-0.516414	-0.059401132	0.6856974	-0.8759288	-0.6931376	0.22310847	0.31468293	0.03483743	-0.016973376	0.3180998	-0.9998383	-0.2849467	0.7357019	-0.23502688	0.6411489	-0.4854703	-0.006459608	-0.011161186	0.016252005	-0.03507327	0.8880676	-0.67855436	-0.5216446	0.31183478	0.4277859	0.5666652	-0.73434216	0.99327004	-0.34935993	-0.63696736	0.98268825	-0.09432486	-0.014066087	-0.11005825	-0.50217783	0.07772165	-0.74517226	-0.0331734	-0.4096785	-0.7139202	0.99966395	-0.77303505	0.50188196	-0.63039523	0.037719242	0.047696594	0.876389	0.98957616	0.6178611	-0.50630844	0.999169	-0.015284286	0.05850393	0.07215267	0.5167814	-0.99602544	-0.98911756	0.094627	-0.21611165	-0.29041547	-0.06255238	-0.041201405	0.038893387	-0.3361266	-0.8439579	0.96905154	0.23890673	-0.20145826	0.39865914	0.14371365	0.38939506	-0.2440578	0.7698037	0.736301	0.3815555	0.51949394	-0.10991042	-0.9999978	-0.009103054	-0.22345725	0.30954313	0.4935558	-0.71823055	0.01904111	-0.7598082	0.55721444	-0.94922763	-0.0718872	0.70638305	-0.26026937	-0.1989209	-0.086121835	-0.45456684	0.16047435	0.8353022	-0.46663862	-0.17653842	0.6455713	-0.003587035	-0.39161006	0.18529941	0.35160622	-0.01930787	-0.02396186	-0.34935266	-0.057201587	-0.5940237	0.04167949	0.89365125	-0.9962505	0.48571116	-0.56821686	-0.21134777	-0.28645825	-0.05653207	0.40518913	0.99987924	-0.19803402	-0.40523764	0.093918405	0.7102165	0.063040614	-0.775253	-0.11645473	0.41304794	-0.44106045	-0.8250747	-0.44205198	-0.28673798	-0.004613395	-0.79902387	-0.85823005	0.76062113	-0.70759505	1	-0.5337628	-0.5835037	0.6476901	-0.2976161	-0.46296352	0.32923996	0.7963564	-0.15428881	0.7468402	-0.86879987	0.20844091	0.26514813	0.553067	-0.29699975	-0.46191657	-0.4107003	-0.43332025	-0.50454974	-0.15039298	-0.94798255	0.37298694	-0.40968138	-0.6326224	-0.028836744	-0.7749807	0.50582814	-0.50647306	-0.49927855	0.3345438	-0.24669221	-0.50356066	0.9284845	-0.13207744	0.45278117	0.56302077	-0.3701793	-0.2520499	-0.25392556	0.20569138	0.16190615	1	0.43588555	-0.99610674	-0.24436074	0.9982177	-0.7394382	-0.004563223	-0.9999894	-0.61728936	-0.7448838	-0.74292874	-0.2892681	-0.14577012	0.6574411	-0.16971776	-0.6129107	0.25738722	0.14719488	0.24843526	-0.47659218	-0.050729286	0.24792808	-0.9999406	-0.99999994	-0.9672754	0.45815167	-0.24346009	0.4138777	-0.034005962	-0.063199334	0.9158231	0.39062563	0.5818528	-0.41727355	-0.03129928	-0.36767644	-0.21787633	0.26761347	-0.5126132	0.08164901	0.029146696	-0.95677257	-0.99990404	0.23407654	-0.7778816	0.45973745	0.41097122	0.29040402	-0.98715204	-0.38050023	-0.14836651	-0.6721692	-0.001825059	0.038195364	0.47253138	-0.8660626	-0.27593306	-0.7184329	0.47315565	0.8446013	0.27064076	0.10256987	0.5713587	-0.43721858	-0.2721165	-0.05690716	-0.99815583	0.5903999	0.7020289	0.6927852	0.1340937	0.1335808	-0.33864576	-0.7234589	-0.05107539	-0.32429507	0.1665333	-0.123579614	0.30920488	-0.34430096	0.025675138	0.5381735	0.05969257	0.9999782	0.64284384	0.4091839	0.4533133	0.1956737	-0.6831331	0.1550226	-0.7357301	0.08360496	-0.15973608	-0.11165694	0.82760864	0.13724919
447	0	CCC(=O)Nc1ccc(Cl)c(Cl)c1	-0.8695978	-0.11551371	-0.28361848	0.30278745	-0.13094205	-0.6233598	-0.15500157	0.053190663	-0.12975892	-0.3847295	-0.67916054	-0.14042793	-0.25549492	-0.56226087	0.65600336	-0.41409168	0.15129027	-0.5752004	0.27289948	0.034210622	0.6246949	-0.7404027	0.3054027	-0.25831407	-0.29493544	0.6103204	0.35607287	0.01624322	0.20019689	-0.6331743	-0.12527177	0.6160463	0.22832929	-0.28615332	0.27074155	-0.56140006	0.40874577	0.45985037	0.483713	-0.9313304	-0.997695	-0.37286922	-0.3804397	-0.04789211	0.4574117	-0.99586105	0.39287817	-0.02991692	0.92227286	0.03882051	0.06613855	0.16893281	-0.13620034	-0.080631666	-0.9061771	0.4143278	-0.5622065	0.9294892	0.4165438	0.3373848	-0.26406175	-0.38056543	0.3279712	-0.11121017	0.2741164	0.500628	0.39545482	0.598565	0.26347986	0.08411777	-0.352889	-0.9503245	0.19926749	-0.004954223	0.6973499	-0.008185224	-0.25455755	0.21755332	0.2580282	-0.99848074	-0.59015715	-0.37205145	-0.84280145	0.4289215	0.53277516	-0.41008937	0.30804092	0.16486365	-0.2449292	-0.5567846	0.003210194	0.3571053	0.3683625	0.07303144	0.8795725	-0.54935336	0.45345023	0.39472902	0.074050866	-0.5229484	0.34766582	-0.32837287	0.3876462	0.15537593	0.82546824	-0.112604424	0.045268677	0.08590883	-0.90833753	-0.014875331	-0.0696897	-0.013656467	-0.1559458	-0.3987917	-0.27350268	0.11787914	0.14918515	0.45476606	0.99944377	-0.0937716	0.13075288	0.30405957	-0.38454932	-0.36972493	-0.13264474	-0.25457075	0.058791805	-0.42213032	-0.2808349	0.9997948	0.4861059	0.24783818	0.23516686	-0.042463135	-0.007029723	-0.8949067	0.18561764	0.45577905	-0.65793455	0.53889203	-0.98947793	0.34405786	0.9900796	0.15196756	-0.25320697	0.062129926	0.239998	0.091226995	0.9892129	-0.094114006	-0.41161704	0.6221399	0.23204005	0.1888895	-0.3296767	0.2997481	-0.3235695	0.9985148	-0.3546759	0.29828832	-0.9908698	-0.10364341	-0.019968722	-0.23068228	0.08348123	0.4601119	0.3555359	-0.46457607	-0.5782262	-0.11713596	-0.5934354	-0.18388042	0.54996836	-0.010661338	0.24904023	-0.9604488	-0.8115311	0.15812393	-0.35999253	0.028343035	0.06389784	-0.13653763	0.06404835	0.13702267	-0.94788754	-0.5442412	0.4700807	0.12191216	-0.1323569	-0.110915184	0.015619254	0.22462122	0.101934545	-0.048221145	0.06681995	0.116784036	-0.037173636	-0.87198174	0.30320314	0.4761383	-0.5116287	-0.049210228	-0.089105204	-0.14512919	0.2832773	-0.6415937	0.35793033	-0.06554365	-0.24722683	-0.9657461	0.22758684	-0.016303621	0.19648048	-0.5709009	-0.26415977	0.27633497	-0.22490169	0.19023454	-0.30175006	-0.038345627	0.49757487	-0.4053801	-0.415242	-0.61519337	-0.8628529	0.004101765	-0.07360617	0.02472833	0.28369796	-0.18839408	-0.40803698	-0.47596204	0.08859796	-0.6172924	0.2435258	-0.14396858	0.26704162	0.029294873	-0.4944301	-0.07018735	0.8912084	0.55735713	0.33682236	-0.4754464	0.5108279	-0.18889824	-0.02995595	0.19923678	0.15348475	0.003982711	0.6050257	-0.99849194	0.006634316	0.40399915	-0.35334802	-0.18739554	-0.39848056	0.40459356	-0.2660623	-0.07129186	-0.38648838	0.46603078	-0.35234687	-0.52965015	0.8557442	-0.36995423	0.026159815	0.35406208	0.2129819	0.13791244	-0.171744	-0.5359975	0.22958632	0.32676384	-0.16507944	-0.26286295	0.21277785	0.12824735	0.27792215	0.32653287	0.12870994	0.9997147	0.11103821	0.2521452	0.30844522	-0.09363576	-0.4177339	-0.24434619	-0.62456715	0.33045432	-0.20336473	0.9995051	-0.5021738	0.73048645	0.23031084	0.20549242	0.9969045	-0.97175974	0.12194327	0.4132759	-0.050936043	0.08715122	-0.21445118	0.29741463	0.14372379	-0.39706343	0.9925608	0.6540381	0.19661734	0.095865384	-0.120756544	0.13272688	0.048078876	-0.19454321	0.82682556	-0.38874432	-0.29834422	-0.069098234	-0.97777236	-0.010571304	-0.16621967	0.25042665	0.13986754	-0.605843	-0.5162506	-0.43606916	0.55557555	-0.9776379	0.59102803	0.23393929	-0.32989237	-0.6347825	-0.18852709	-0.15460296	0.531448	0.3426154	0.3288486	0.4117473	0.09922241	0.3514499	0.39502987	-0.15509072	-0.23479557	0.5546558	-0.3859782	0.39197865	-0.55333024	0.18539633	-0.077746265	0.82732934	-0.9972237	-0.3744171	-0.21572438	-0.48974776	0.027751079	-0.062614694	0.3130301	0.9984892	-0.38912448	-0.60070306	0.16420619	0.5583108	0.5528851	0.2546989	-0.86803263	-0.12878078	0.62317085	-0.5090036	-0.43962026	0.22876602	-0.19764991	0.20821409	0.14330375	0.90029377	0.45258456	1	0.10874992	-0.4631725	0.17051221	-0.32576314	-0.82266945	-0.1804774	0.11716423	-0.1801689	0.25936458	-0.074376024	0.0811048	0.51148707	0.17821369	0.6331294	-0.40869924	0.29472035	-0.1612997	-0.10222166	0.5619637	-0.41897127	0.23995009	-0.3403186	0.38808027	-0.24589406	-0.8761293	0.19101827	0.120744996	0.4229038	-0.47651732	-0.39773732	-0.32233268	-0.54477423	-0.17431647	-0.13914023	0.53782207	0.49683562	0.32495007	0.265152	0.11647719	0.54455745	0.9999584	0.007120467	-0.97390264	0.49958324	0.9996466	-0.30523962	-0.6747866	-0.9988414	-0.3559693	0.40966856	0.47923228	0.049026664	-0.37421668	0.3237642	0.10728424	-0.052558992	0.51271075	0.1040805	0.025915835	-0.04908612	0.2450174	0.08562402	-0.99998426	-0.99958974	-0.99006677	0.05934462	0.47537714	-0.3127364	-0.43304598	-0.4781683	-0.7888053	0.26736605	-0.15508245	-0.17687032	-0.74616563	-0.066157304	0.48764625	0.043423504	0.5860634	-0.4834545	-0.13016634	-0.9749945	-0.9999577	-0.54581976	-0.3769291	0.116955265	0.2791428	0.26526248	-0.9896961	0.12965186	0.077811226	0.35096788	-0.45647034	-0.23855807	0.41042328	0.9146825	-0.120399125	0.8846479	-0.15809518	0.36350325	-0.31724447	-0.687418	-0.30655077	-0.3237446	-0.57665163	-0.43558338	0.7683909	-0.13031687	-0.5987076	-0.13378929	-0.22677927	-0.6931106	0.28491515	0.64264876	-0.3591481	-0.07209582	0.5887702	-0.6270312	-0.41820872	-0.37158278	-0.45077693	-0.433785	0.40366748	0.9999633	0.33049494	0.57102334	0.20156236	0.5624812	-0.08366511	-0.14390406	0.21235842	-0.17059481	-0.11110395	0.49504492	0.6502983	-0.021092935
448	0	CCNc1cccc(C)c1	-0.79623175	-0.10857665	0.083906084	0.4975244	0.11564644	0.11911095	-0.4328513	-0.22841267	-0.38927436	0.37201726	-0.85912746	-0.1333652	0.024283135	-0.5984438	0.3738244	0.06814974	0.15591978	0.50064015	0.66087997	-0.25499943	-0.030594891	-0.9045233	0.2723218	0.032553114	-0.1403284	0.68144387	0.25767425	0.33885512	-0.100631826	0.06833294	-0.15045163	0.51473325	-0.12422117	-0.28599468	-0.4864933	-0.43812746	0.30153897	0.49678734	-0.7758496	-0.96799976	-0.9978078	-0.30952284	-0.24626993	-0.2709016	-0.022567116	-0.99761957	-0.052375607	0.24756822	0.89217526	0.61239654	0.14649297	-0.21304396	0.6101719	-0.334309	-0.967092	-0.25899184	-0.3795791	0.9775568	0.01249226	0.21226119	-0.5013362	-0.66419774	0.4502137	-0.11169143	0.6261458	0.43446887	0.06894361	0.54544616	0.1921471	0.10571458	0.5840161	-0.9839024	0.23809327	0.18671806	0.67731893	-0.019033236	-0.5223829	0.069606654	-0.061661556	-0.9948172	-0.38937446	0.08619607	-0.8996248	-0.27233106	0.42279795	0.20709394	0.09804901	-0.45497492	0.15061629	-0.08608597	0.25407296	-0.11997751	0.1911209	-0.09681768	-0.3360025	-0.35332265	0.10983513	0.071082264	0.71897846	-0.16608338	0.15285626	0.04677765	-0.19516808	-0.60037804	0.98761874	0.3699354	-0.13568038	0.25042766	-0.7171317	-0.35218957	0.16331661	-0.028943123	0.14999369	-0.045357455	-0.05803856	0.46564904	0.061894823	0.5294142	0.99883175	0.36591133	0.026844874	-0.001497427	-0.0828175	0.14438619	-0.117139615	0.3037787	-0.12673838	0.10335929	-0.35082078	0.9994745	-0.18306969	0.34185657	0.23171163	-0.032809556	0.4813744	-0.8062593	0.6260392	0.5617181	-0.58513343	0.33701584	-0.9845793	0.023766128	0.9957889	0.40898782	-0.56402427	0.62854224	0.3793663	0.38642883	0.9981758	-0.1921663	-0.09690358	-0.10517051	0.03170365	-0.021844467	-0.025674589	-0.14794312	-0.35890546	0.9994425	0.0679766	0.63521576	-0.9933158	-0.23120192	-0.11513244	-0.1448281	-0.039557256	0.11077055	0.45133057	-0.066085964	-0.32379407	-0.05573186	-0.544344	-0.12103253	0.25759324	-0.310202	-0.3034348	-0.96321726	-0.8056263	-0.23635533	-0.657956	-0.2865817	0.34754732	0.7221021	-0.07444896	0.114455014	-0.95764136	-0.47197977	0.50945705	0.20343694	0.0753953	-0.012211923	0.65218616	0.57623994	0.58508086	0.47318262	-0.09425341	0.10212554	0.04500141	-0.77081054	0.5918673	-0.003006967	0.45939118	-0.42430344	-0.5073031	-0.020064725	-0.04518166	-0.0956474	-0.17634471	-0.2574467	0.09898886	-0.09316986	0.07262225	-0.18766923	0.18216345	-0.18240924	0.48975825	0.17775278	-0.3491904	-0.27807754	0.31900036	0.12718357	0.049690753	-0.47860745	-0.3752215	0.13620007	-0.9300586	0.10584192	-0.25483403	-0.2303786	0.18797852	-0.50848085	-0.022902582	0.00545161	0.014549266	-0.26817557	0.14539035	-0.553659	-0.63499045	0.11336646	-0.13390936	-0.010256105	0.9616481	0.020702219	-0.5404931	-0.37723902	0.43961596	-0.7185155	0.14316748	0.029951645	-0.1774661	0.1725637	-0.6125471	-0.9972311	-0.19380432	0.18212853	-0.15191653	0.4309026	-0.20135388	0.28348756	0.21444511	-0.42758396	-0.5625403	0.1637206	-0.67941403	-0.229915	0.1890829	-0.3535078	0.27047482	0.17576031	-0.9128055	0.45494357	-0.4997131	-0.84380054	0.097258925	0.116138905	0.079232484	-0.6561727	0.5755313	0.29787377	-0.26178464	0.6723952	0.0661957	0.99951196	0.49045655	0.3033017	0.066627316	0.3413935	-0.2873729	-0.30922022	0.6976643	0.057466105	0.029029809	0.9994572	-0.13757493	0.7883285	0.45839843	0.4145634	0.99511856	-0.9496805	0.021524712	-0.039184954	-0.18304159	0.015541873	0.16785808	-0.21823613	0.38948596	-0.42483148	0.99912894	0.36945677	-0.35052443	-0.12565535	-0.31463268	0.28055447	0.10477682	-0.38198858	0.96627015	-0.29849434	0.26429388	-0.18006884	-0.9872037	-0.19609345	0.06737956	0.7176233	0.43363458	-0.3852641	-0.5620022	0.17670988	0.3542297	-0.95811325	-0.35610336	0.2854692	-0.13842627	-0.36106443	0.11581674	-0.5597838	0.26473308	0.3452633	-0.30625236	-0.07629251	-0.13142803	-0.06908141	0.3131987	0.031800956	0.25732628	0.6807462	-0.10971804	0.021546667	0.07633303	0.06403098	0.0773773	0.97118783	-0.997008	0.006453901	-0.5069252	0.2732439	-0.3018762	0.24693498	0.24152842	0.9854428	-0.3790674	-0.7948913	0.13660632	-0.1113929	0.12863754	-0.35151598	-0.7601207	0.11475692	0.26033902	-0.75534976	-0.4848878	0.20756863	-0.106647156	-0.40736142	0.07051766	0.9570174	0.19464108	1	0.25717646	0.09580004	-0.41747344	-0.30095732	-0.8726374	0.04421599	0.2531745	-0.18425727	-0.13835917	-0.14874607	-0.36648127	-0.2918915	0.3856489	0.6036141	-0.005127148	-0.021642053	-0.37238097	-0.05557074	-0.39140362	-0.1815287	0.33217752	-0.024130473	0.67446476	0.08013017	-0.985022	0.35672385	-0.24862768	0.022339823	0.026937073	-0.5514578	-0.000844683	-0.46867225	-0.05612756	-0.076498486	0.7146355	0.24433261	-0.43342018	0.39275613	0.34493282	0.0821009	0.99996495	-0.045759376	-0.98985296	-0.19495577	0.99689347	0.024257291	-0.71970034	-0.9984952	0.1184465	0.70952046	0.40440318	0.19855449	-0.21609414	0.53762704	0.33768514	0.46052754	-0.28636864	-0.20792712	0.16152161	-0.001945607	0.2533761	0.11626626	-0.9999172	-0.99970734	-0.99480593	0.07974467	0.66397804	-0.29955882	-0.20785083	-0.3367633	-0.6667516	0.18719165	0.5893648	-0.41369945	-0.5869557	-0.28803593	0.52882624	-0.5052712	0.36021838	-0.04398605	-0.09418497	-0.989689	-0.9998942	-0.52454376	0.052220065	-0.2545232	0.05408178	-0.37752002	-0.99625856	-0.51777273	0.48984984	0.04357927	0.05248461	-0.12115594	-0.60882515	0.895825	0.5887389	0.92749345	0.187569	0.682361	0.11224419	-0.8352347	0.48532957	0.45033395	-0.5392551	-0.113189995	0.6154921	0.08875662	-0.24286386	-0.32146525	-0.26753172	-0.2633695	-0.21279949	0.38345644	0.48856142	-0.4086522	-0.002805747	-0.9677451	-0.33250603	-0.20010178	0.06250566	-0.06482427	0.4724251	0.9990176	-0.12038303	0.5398016	0.09926834	0.6933509	-0.25059733	-0.067730956	0.9044471	-0.077662505	-0.50769097	-0.25410387	0.63647527	0.2416594
449	1	CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.68827444	0.5691426	-0.87582165	-0.09874163	0.8217511	-0.8122069	-0.64907086	-0.32756296	-0.21661371	-0.7649146	0.17392814	0.38298193	-0.43163177	0.89446056	0.6106059	-0.99538726	-0.6882028	0.17204735	-0.27239013	-0.71719176	-0.7107423	0.5636511	0.7164701	-0.8136585	0.4650496	0.8265328	0.46728224	0.66761076	0.94332165	0.1369604	-0.62821704	0.66726214	-0.12633795	-0.27204585	0.27146858	0.8523317	0.48556918	0.54651654	0.99993527	0.75253326	0.22686502	0.04418292	0.289773	-0.5105249	-0.30063933	0.896276	0.9117089	0.69616634	0.98229986	-0.072966166	-0.5863287	-0.05001199	-0.069218576	-0.013990356	-0.43097568	-0.25563815	-0.7891133	-0.9965405	-0.92299414	-0.31159967	-0.1417434	0.23100196	0.35406873	-0.023547981	-0.2801835	0.8414349	-0.27653718	-0.74592596	-0.2790351	0.51382816	-0.8492511	-0.30510855	0.6852226	0.84221756	0.7056437	-0.8281546	0.73209375	-0.5306955	-0.7168884	-0.9992423	-0.090410486	0.5362573	-0.9186705	-0.2671289	0.2831255	-0.8252564	0.2463825	0.061014377	0.38516465	0.26445478	0.5240341	-0.09289302	0.30863398	-0.45751148	0.98506176	-0.11445023	0.40559387	0.040235873	-0.20251952	0.4879987	-0.41288733	0.10894329	-0.29925212	-0.44983664	-0.9999171	0.4792053	-0.4757125	0.30925918	-0.8516707	0.05419614	-0.015012309	0.2024667	-0.9121758	-0.6713528	0.606949	0.63041794	0.25965005	0.9057274	0.8010335	-0.56394637	0.679698	-0.06297016	0.23970246	-0.69622415	0.5606497	0.76273733	-0.6866967	-0.5527075	-0.29305264	0.99978346	-0.42241812	-0.020378126	0.90605056	-0.50654846	0.74933916	-0.9822971	0.36640155	0.73968047	-0.95232177	-0.6032779	0.9992192	-0.534845	0.6557774	0.03696803	0.10142286	0.084198385	0.73543113	0.46098524	-0.9996539	-0.005712342	-0.59068936	-0.09367998	-0.19253029	-0.88510764	-0.86734694	-0.5445401	0.36421666	-0.99303806	-0.9718693	0.57400006	0.77028877	-0.75381076	-0.7179944	0.05684984	0.30955467	0.2537555	-0.7194193	0.2316212	-0.26634514	-0.24946156	-0.8891459	-0.8918132	-0.07502518	0.76826525	-0.69865763	-0.8809275	-0.8445013	0.91294825	0.39479	0.13823941	-0.44299155	-0.79141295	-0.18874341	-0.94690055	0.974917	-0.5259771	0.6425163	0.5074191	-0.6246166	-0.9713292	-0.20613402	0.84192157	0.6978882	0.55044717	0.19224724	0.17388822	0.6615559	-0.92420334	0.1475099	-0.10289293	-0.7548361	-0.08024814	-0.16850473	-0.89777386	0.44163182	0.0670497	0.52229327	0.57708174	-0.83981174	-0.99996126	-0.45417732	0.7281628	0.5462288	0.41375723	-0.69768196	0.30511704	-0.18703586	-0.17246926	-0.26861358	0.5765333	0.23575605	-0.52916527	-0.27288738	-0.03819839	-0.95775867	-0.44803515	0.60972434	-0.19701296	-0.3071339	-0.8675985	-0.69209415	-0.41625896	-0.68807435	0.3049123	-0.73156434	0.56158406	-0.50714475	0.34194538	0.49658647	-0.7058297	0.5196409	0.9129008	0.8935059	0.12493294	-0.98309386	-0.060106985	-0.003870706	-0.64215755	-0.7158445	-0.14503199	0.764543	-0.9996725	-0.83137107	-0.022794943	-0.50712943	-0.5890426	-0.45499185	-0.57062614	-0.63285756	0.17564978	-0.60565585	0.21617405	-0.3527561	-0.10184457	0.16438812	-0.8930337	0.50299096	-0.10835904	0.95121104	0.57947236	-0.92862743	0.9994404	0.67191124	0.14011568	0.13320953	-0.45186883	0.5053405	-0.687186	0.37214735	-0.9848905	-0.35191154	0.7511214	-0.076408476	-0.08171111	0.027934665	0.52085346	-0.7980066	0.86461514	-0.98542786	-0.9420835	-0.83213437	-0.7183731	-0.8419033	0.7312758	0.7934355	-0.69742376	-0.99510276	-0.9957844	-0.03691615	-0.26197508	0.28323954	-0.4775095	-0.5043118	0.8394509	-0.20113237	-0.025115114	-0.998954	0.46889248	0.12358761	-0.12147461	0.65236014	0.46908167	0.022118209	-0.034391783	0.061125256	0.9173504	-0.22994944	0.61033213	-0.9039193	-0.25968182	0.51405287	0.63089854	0.79430974	0.5365561	-0.21502507	0.8607819	-0.19699652	-0.95235246	-0.9373478	-0.3306773	-0.69204473	0.043234892	0.03447536	-0.27839422	-0.36637503	0.95470124	-0.915989	-0.8597858	0.008690458	0.062452145	-0.7287684	0.5628136	0.6892381	-0.8798718	0.0717377	-0.76287496	0.018334374	0.5754272	0.7229664	-0.9768802	0.60047066	-0.18423896	0.868753	-0.33282128	-0.36874154	-0.30047208	0.20149498	0.99998516	-0.47926614	-0.66873735	0.005344684	0.5382613	-0.34539908	-0.3880378	-0.9598584	-0.5966745	0.6105479	0.8475092	0.30385652	-0.3368212	0.45468754	-0.004466014	0.8806953	-0.3666942	0.078665875	1	0.5503348	-0.45734763	-0.13532463	0.2543914	-0.8370745	0.06419483	-0.7877249	0.30610737	-0.05844646	-0.62431395	-0.7547492	0.73567337	0.77561593	0.64356095	0.179079	-0.6871532	0.54285973	-0.019424511	0.45102674	-0.9993324	-0.75923336	-0.8714962	0.6692096	-0.40552312	0.7615932	-0.3019539	-0.1300866	-0.3976183	0.17925903	-0.6445067	0.15719916	0.11070513	-0.07384557	-0.30214885	0.6311027	0.14639647	0.24236079	0.7076481	0.62991655	0.8720213	0.9998213	-0.09391689	-0.98329353	0.35830003	0.9990577	-0.9395497	-0.8175068	-0.9992307	-0.33060995	-0.12614685	0.3663145	0.18870446	-0.07192047	0.12442722	0.30427366	-0.90233153	0.26282614	-0.22240841	-0.4257325	-0.43655816	-0.7007534	-0.06562151	-0.99989665	-0.99999994	0.24552505	0.43724698	0.48984128	-0.6633278	-0.03968417	-0.4717999	-0.58607674	-0.43872595	-0.859351	0.86882454	-0.6758553	-0.057015043	-0.062190555	-0.27464667	0.3985562	0.6346243	-0.32130125	0.9806956	-0.99644643	0.63440764	0.90875036	0.30097598	-0.013442224	-0.10070976	-0.7636504	0.18548104	0.28247628	0.6843071	0.61892164	-0.26916376	0.4993378	-0.94089645	-0.31182915	-0.36924163	-0.5170885	-0.38531098	-0.84292996	0.5660145	-0.6128888	0.18237439	-0.8976622	-0.82538104	-0.99979866	0.31020656	-0.6103148	-0.38958538	-0.43525347	0.5791522	-0.40476608	0.95118093	-0.7210507	0.41314623	0.49874243	0.9994816	-0.3046313	0.8615376	-0.08244922	0.47438946	0.48413345	0.99672157	0.7619389	-0.66975945	-0.37643453	-0.18395741	-0.61308014	0.86253554	-0.9992724	-0.101837724	0.35485765	0.97957414	0.86416805	-0.06350861
450	0	CN1CCCC1=O	-0.47924617	-0.1584165	-0.4321377	0.31568655	-0.2730434	-0.44735587	-0.11807308	-0.5208074	-0.33162236	0.25408435	-0.17833531	-0.33395168	0.10743277	-0.38083664	0.66929173	0.6810513	0.24337193	-0.21026707	0.21667895	0.04416921	0.27889773	-0.85637385	0.001620824	0.3466557	-0.18591872	-0.06878548	-0.1325949	-0.26729485	-0.17820671	0.06423819	0.005318963	0.50599134	0.28734612	-0.23955339	-0.28406504	-0.38146093	-0.30188468	0.3314853	-0.95546174	-0.78679895	-0.9970329	-0.7285549	-0.28601083	0.282051	0.5331162	-0.99411875	0.484379	0.12786339	0.9825961	-0.010305799	0.20229898	-0.13828939	-0.19921133	-0.001692183	-0.89089775	0.01128727	0.34826583	0.9677316	-0.39289308	0.16457051	-0.34777248	-0.23064193	-0.03823761	0.055824675	0.36127958	0.13608167	0.24815144	-0.21189591	-0.1084842	-0.059922647	0.54507655	-0.99944216	0.560293	0.83953375	-0.37244317	0.6981058	-0.14969552	-0.1871099	0.336459	-0.99980015	-0.56977916	0.018387614	-0.5769231	-0.5192123	-0.22889611	0.95707154	0.7876972	-0.12308498	0.3241756	-0.43924904	0.21388322	0.13546875	0.26606235	-0.1513529	0.82034343	-0.49447593	-0.7620995	-0.23313512	0.51016873	-0.27803046	-0.21875224	-0.079946935	0.34770086	-0.6875979	0.99403626	0.5456126	0.5232995	0.26620197	0.9530328	0.60684913	-0.066305116	0.017322397	0.5147979	-0.3576135	0.4825366	0.38153765	0.39169207	-0.13787834	0.9966863	-0.058199007	0.29791746	-0.448827	0.08300571	-0.35768047	-0.04617502	0.16703716	-0.3694893	-0.000231863	0.066978164	0.96814513	-0.15254307	0.18453693	-0.06345562	-0.20483465	-0.28879058	-0.7678374	0.040473424	-0.075345956	-0.19309518	-0.6433273	-0.97815853	0.17879044	0.96549964	0.67705387	-0.527137	0.3084619	0.4577459	-0.092983894	0.99726474	0.14909607	0.09433427	-0.18725228	-0.24554975	-0.29061902	0.24021368	-0.35735118	-0.003377223	0.9990562	0.6077681	-0.8857411	-0.9871608	-0.006606169	0.17957817	0.14388084	0.2718695	-0.3429715	0.2350287	0.39211437	-0.30923888	-0.15858856	-0.67235255	0.14453913	-0.3294451	-0.21540448	-0.012882763	-0.9650879	0.41790426	0.056555603	-0.003617957	-0.35556576	0.26189545	-0.57723635	0.20003945	-0.102637716	-0.93801856	-0.4464116	-0.32857075	0.5726801	-0.3226813	0.39210725	0.5002136	0.011486406	-0.44327897	0.32312125	0.43235436	-0.22144896	-0.083176255	-0.90672195	0.23392124	-0.3946964	-0.46406114	-0.3791031	-0.7031357	0.031685732	-0.28187817	0.121524975	-0.062024374	0.54956657	-0.3125429	0.82702464	-0.3020488	0.507401	-0.3762522	-0.79979706	0.5638166	0.50576323	-0.10580203	0.16519547	0.26463902	0.68776935	-0.20349853	-0.16999665	0.11009899	-0.39400694	-0.7938841	0.54700243	-0.122668885	0.3803907	-0.45775485	-0.6932552	-0.17345832	-0.7071946	0.42364436	-0.38078895	0.18355252	-0.7016819	-0.55580634	-0.050312776	0.13344167	-0.5146737	0.8034262	-0.30226225	-0.6957124	0.09737089	-0.036170386	0.17256159	0.062224828	-0.17323385	0.09394394	0.22375931	0.2624255	-0.9901003	-0.014107168	-0.3209372	-0.1255547	0.45508122	-0.38904947	0.58645576	-0.18775281	-0.16114487	-0.4619975	0.24059941	-0.12556571	-0.28873855	0.055855814	-0.36475962	0.33763066	0.035915084	0.43427628	0.5663216	0.031708773	-0.93620306	-0.026305573	0.121877655	0.24725531	0.5316995	0.5314904	-0.62295794	-0.60926175	0.7775631	-0.41919756	0.9981527	-0.14244318	0.6012665	-0.39117232	0.16316764	-0.07624523	-0.23803999	0.83705556	-0.12458561	-0.51914245	0.9986362	0.60933006	0.38786373	0.38838753	0.3036661	0.9936715	0.13693796	0.1521675	-0.39611223	0.25103182	0.033322047	0.82281166	0.34886062	-0.18294501	0.17861885	0.99950063	0.06533026	-0.32282007	-0.19017732	-0.18419784	-0.347126	0.544375	-0.44302088	0.5383283	-0.05891639	0.23706271	0.084508926	-0.9998108	-0.004169435	-0.6402864	0.25241667	0.05172505	-0.12985736	0.11562186	0.010681216	-0.2870611	-0.71919936	-0.5248492	0.2404136	0.20347378	-0.22535852	0.49993387	-0.01776688	0.12237139	-0.7767617	-0.6065765	0.2574327	-0.26021928	-0.48301056	0.39014643	-0.41977286	0.16825108	0.65683115	0.21599846	0.37473717	0.32051957	-0.29610577	0.025561918	0.96913785	-0.9876614	0.5297533	-0.08213943	0.2223886	0.30999234	-0.28049383	-0.21799524	0.5825408	-0.5938146	-0.71785843	-0.19371064	0.057271864	-0.38014296	0.00241912	0.23542854	-0.33029565	-0.07276595	-0.6543511	-0.4004719	-0.54912204	0.6606438	-0.27218774	-0.22854802	0.95160526	-0.27000988	0.9999997	-0.15517062	0.27798697	0.3232858	-0.41985828	-0.8603639	0.07734703	0.5600222	-0.3661296	-0.003801785	-0.21329476	0.19460905	0.12147441	-0.009710757	-0.58846027	0.09240369	-0.30173314	-0.055840775	0.17429766	-0.34420946	0.37310052	0.50424594	0.82783663	0.771028	0.46543363	-0.8791627	-0.39173344	-0.22723247	-0.2704558	-0.072445095	-0.32244208	-0.5677336	0.13599247	-0.22103679	-0.20219895	0.669417	-0.28683183	-0.06559445	-0.026170183	0.009304149	0.019907132	0.99999917	0.24275793	-0.8318429	0.02560458	0.9713702	0.7184606	0.03419251	-0.999722	0.004260235	0.54315066	0.3953128	-0.2592359	-0.46763358	-0.12844935	-0.23982286	0.9473605	0.14623818	-0.53402936	0.23989122	0.006233393	-0.11822481	0.052088063	-0.9997961	-0.9930353	-0.9915421	-0.2816766	0.031841237	0.018285988	-0.10460548	0.2503018	-0.5458968	0.43830594	0.5969328	-0.01938969	-0.009324305	-0.077569395	0.53100705	-0.044793375	-0.17173982	0.21000633	-0.57511216	-0.99602747	-0.9996233	-0.16676387	0.024752878	0.079402834	0.4808572	-0.007206359	-0.9149752	-0.76512516	0.17835134	0.23851128	0.18666781	0.36230686	0.2656626	-0.05184678	0.51570624	0.98593867	0.1916273	0.49093542	-0.27080637	-0.54848135	0.2641225	0.1812379	-0.41841415	0.77285945	-0.40649083	0.35873634	-0.16997223	0.11660945	-0.77223206	-0.2377413	0.22775276	-0.7890613	0.23044254	-0.036917754	-0.27351135	-0.9939415	0.20645495	-0.03459636	-0.10557763	-0.28444147	0.34858152	0.9980723	-0.67064035	-0.13706791	0.49054268	0.41727	-0.22271954	0.3680327	0.9729555	0.54262245	-0.09665564	-0.12511355	0.8426012	0.4201095
451	0	CNC(C)=O	-0.6499295	0.04313651	-0.5244021	0.0302995	-0.093053155	-0.24976522	-0.28147253	-0.31263578	-0.18294202	-0.22959965	-0.33415407	-0.5575428	0.080565065	-0.29540107	0.48055708	0.34712213	-0.27279124	-0.25645685	0.12915735	-0.32514152	-0.24479301	-0.7843525	0.21198851	-0.14564589	0.21337011	0.1530445	0.12083844	-0.47855008	-0.19532843	-0.005468446	-0.43010607	0.6911629	0.49134147	-0.23734713	0.18199006	-0.40907624	0.014677173	0.7668608	-0.9521004	-0.7205583	-0.9816857	-0.35922384	0.10271299	-0.33184972	0.21527976	-0.9857182	0.62823457	0.6288401	0.96520257	0.6415687	0.24404532	-0.06017936	-0.54639083	0.20404524	-0.8316093	-0.3305617	-0.09175174	0.94817275	0.04660657	-0.15344816	-0.5549226	-0.3505057	0.59316707	-0.26963875	0.28233537	0.12633306	0.4443729	-0.16980645	-0.28938758	-0.1922354	0.6877734	-0.9991521	-0.049475797	0.79834104	-0.10057346	0.59416455	-0.37623593	-0.20386434	0.31512472	-0.9989825	-0.681618	-0.41259712	-0.2438862	-0.26347595	0.3565513	0.9673964	0.74020195	-0.42757884	-0.037386574	-0.000635117	0.40555832	-0.07855642	-0.22824235	-0.45433486	0.17443919	-0.5087006	-0.8801908	-0.276714	0.45351005	-0.6047157	0.21886648	-0.0993864	0.17866363	-0.9151847	0.988364	0.34973502	0.5258931	0.030917615	-0.9404919	0.20793724	0.20277798	-0.14679664	0.42579907	-0.5439131	0.11825877	0.4611845	-0.12825258	0.33064446	0.9912378	0.57083184	0.4498386	-0.03342748	-0.47728533	-0.04909833	0.015617576	-0.05853046	-0.47407284	0.2137152	-0.124959745	0.93150705	-0.11572479	-0.37401366	0.31317613	0.29293707	-0.101005524	-0.3184477	0.09861938	-0.27691314	-0.17282033	0.10074478	0.996504	0.043239795	0.9326117	0.15417512	-0.26835328	0.09150619	0.38697225	0.3914122	0.99239165	-0.20034243	-0.26230246	0.49230307	0.10021804	-0.3436026	0.096185	-0.47232515	-0.21473946	0.9946928	0.5755142	0.58683664	-0.9759874	0.5936459	0.04383784	-0.04842603	0.33754393	0.010178493	0.5704427	0.43146878	-0.631597	-0.11631932	-0.7712046	0.22590391	0.02476375	-0.050954774	0.3959047	-0.91219884	-0.71320057	-0.68847924	-0.053585205	-0.5328403	0.05685547	-0.6055763	-0.06357326	0.16819079	-0.87845427	-0.22476988	0.11630199	0.28148112	-0.16314855	0.28352144	0.3948005	0.5861532	-0.27271488	-0.09921638	0.48572245	-0.59302026	-0.13084917	-0.82570136	-0.2747588	-0.40230295	-0.47627705	-0.26207122	-0.27806547	0.1113999	-0.008639984	0.15769139	-0.11866343	0.7016054	-0.5088516	0.96855766	0.31998158	-0.2807017	0.30896503	-0.45434636	0.1142068	0.66794956	-0.24538283	0.03701105	0.30085114	0.45552704	-0.008607239	-0.08348616	0.47653988	0.15407193	-0.50075513	0.22449912	-0.37869936	0.12944952	-0.2733583	-0.6545793	-0.20138173	-0.58863974	0.60746855	-0.21270949	0.36370808	-0.3750799	-0.6108308	0.0747436	-0.27946374	-0.09813317	0.76871336	-0.041045643	-0.5780696	-0.3230255	0.40282902	-0.45629102	0.1613795	-0.21533413	0.06872956	0.03221908	0.509101	-0.9978509	0.38530767	-0.37480104	-0.124916516	0.59901667	-0.3870962	-0.24761918	0.21580522	0.02212421	-0.71194893	0.38492808	-0.5233671	-0.078463316	0.12631752	-0.46121502	0.23540351	0.60916424	-0.57712203	0.3363622	-0.29189	-0.9625041	0.15756588	0.21474442	0.21550207	-0.50716794	0.3402671	0.44867513	0.16932978	0.61211103	-0.2768266	0.99532634	0.3300465	0.16295023	-0.15611382	-0.027781297	-0.7224244	-0.9256574	-0.9031912	-0.03905079	-0.17490888	0.9925266	0.16487788	0.7985085	0.3096909	-0.031098174	-0.98878604	0.6180646	0.6112655	-0.7232444	-0.2565514	-0.19209945	0.44267154	-0.25911766	0.21114172	0.39261648	0.9989685	0.24812357	-0.37605625	0.24505223	-0.32769215	0.11096761	0.53033817	0.024967374	0.49002293	-0.019675624	0.5401568	0.30299592	-0.63599455	0.22803167	-0.111088015	0.43415484	0.18175082	0.06537188	-0.37688303	-0.2906004	0.17511097	-0.7050279	-0.1856622	-0.31376693	0.00881818	0.14709629	0.3376057	0.6356695	0.07396712	-0.75350523	-0.2625456	-0.15149263	-0.6147249	-0.20898944	0.53624	-0.24863459	0.079712935	0.5647045	0.44927642	0.51957995	0.013117651	0.3763341	0.7112514	0.9276361	-0.9733183	0.06402831	-0.16490258	0.19511907	0.39345685	0.13823599	-0.08359141	-0.7187019	-0.3329765	-0.58305085	-0.2713366	0.11283319	-0.4147497	-0.049073838	-0.01546888	-0.18484218	0.3533276	-0.6103982	-0.14500022	-0.17731594	0.6461958	-0.042684782	-0.23858808	0.92094296	-0.08227364	1	-0.08759035	-0.24808764	0.24452019	-0.6834207	-0.915119	0.005535138	0.45341375	-0.017783547	0.41559026	-0.5612005	-0.32642877	-0.1352587	0.21091557	0.12445554	-0.05587694	-0.13594897	0.32749087	-0.08549156	-0.3259397	-0.21908164	0.12192191	0.7504327	0.741688	0.7170394	-0.8232545	0.36412022	0.17977585	-0.6281843	0.36131212	-0.106384054	-0.42385587	0.37075624	-0.30971634	-0.6113094	0.51140696	0.3829573	0.22134382	0.22311245	0.47853026	-0.08318106	0.9983464	0.006299397	-0.38071278	-0.089106	0.5987274	0.57839626	0.11420853	-0.98839533	-0.03444183	0.5694341	0.437185	0.17581913	-0.48446128	-0.12857154	-0.27699268	0.957418	-0.1985413	-0.7069551	-0.5746094	0.10772495	0.08245906	0.19941162	-0.9996618	-0.99999803	-0.98682827	-0.65765744	0.19772457	0.33755416	-0.08190278	0.2140271	-0.7120873	0.3450624	0.60583997	-0.37464166	-0.039186604	-0.41037303	0.43556046	0.3814201	-0.27214622	-0.053129558	-0.37416655	-0.98797774	-0.9994138	-0.5359461	-0.2781037	0.3948869	0.24928145	-0.09436457	-0.7381249	-0.71747315	0.40287575	0.19779496	0.20594935	0.14353848	0.5840527	-0.8713387	0.655617	0.9749883	0.22411236	0.13077463	-0.2442918	-0.48270947	-0.4212955	0.5245821	-0.15489219	0.91357887	-0.72373956	-0.05372693	-0.439834	0.46567664	-0.7118327	-0.24330334	0.16262019	0.066487685	0.6506492	-0.019473294	0.11701809	-0.98996764	0.14750575	0.12652977	0.07038347	-0.15622187	-0.02008184	0.99391407	-0.4988385	0.24965566	0.23549889	0.38771993	0.24432848	0.29791793	0.9817691	0.15924807	-0.6238937	-0.3576564	0.8374335	0.21339202
452	0	O=NN(c1ccccc1)c1ccccc1	-0.6588698	0.07307746	-0.0878968	0.33224985	0.14413044	-0.6723097	-0.40980402	0.4594807	0.36741346	0.13561766	-0.5193228	0.31631765	-0.18052319	-0.74781245	0.48011342	0.73427767	0.066667035	0.46725768	0.09542984	0.26942638	0.7777777	-0.72046137	0.34707054	0.23572789	0.43808994	0.59366995	0.42230487	0.5812904	0.21322362	0.12658322	0.33322522	0.14780961	-0.7037392	-0.06260417	-0.39743492	-0.46793395	0.51405925	0.55702734	0.8487737	-0.94618183	-0.98464626	-0.110489905	-0.06765794	-0.0579545	0.40194178	-0.9904765	0.25672188	-0.036711697	0.995953	0.5172672	-0.10432713	-0.12718111	0.1401471	-0.5226409	-0.8842242	0.08147162	-0.7083968	0.90549433	-0.19216995	0.584665	-0.03297294	-0.15948506	0.5328368	-0.3374344	-0.22338301	0.41402575	-0.4363695	0.5379866	-0.18322861	-0.113874115	0.7521893	-0.9388919	0.53450596	-0.118562676	0.767119	-0.5490095	-0.39680883	-0.6613615	-0.0850016	-0.9895203	-0.2768842	-0.17924173	-0.6559201	-0.4053358	-0.12037964	-0.37531343	0.46015862	-0.29612643	-0.604112	0.2859304	0.59052074	-0.10386433	-0.22334637	0.3001921	0.94967914	-0.15968207	-0.15963806	0.16369174	0.46744403	-0.22777374	0.13468961	-0.58975637	0.20833647	0.75580734	0.35235196	-0.24724637	-0.44377276	-0.24850404	0.994574	-0.001777442	-0.08997234	0.3475757	0.031119991	0.29779053	-0.56391925	-0.041813616	0.6419202	0.54543895	0.99909824	-0.5307564	0.2846968	-0.43847322	-0.17479716	-0.13840148	-0.25578514	0.3286991	-0.33395213	-0.22977899	-0.29817417	0.999614	-0.49385613	0.43682876	0.26327276	-0.40752286	0.5983949	-0.9123727	0.7849579	0.5531293	-0.2973283	-0.6185919	-0.99970585	-0.16273727	0.9851757	0.23014995	0.46674147	-0.084960945	-0.34403646	0.46127433	0.9385222	-0.77171504	-0.3000289	-0.22877611	0.12443362	-0.5156592	-0.32259125	-0.13903344	0.006409236	0.9957302	-0.024355017	-0.9817718	-0.98831356	0.091423884	-0.30166104	0.28438643	-0.027304554	0.5077278	-0.5271235	-0.20274666	-0.60096383	-0.059857234	-0.17801744	-0.2659193	0.3602073	0.330787	-0.16698241	-0.86682904	-0.7508393	0.54159606	-0.35781845	-0.4784093	0.7949881	-0.51776487	-0.3747416	-0.16608797	-0.77303994	-0.13890667	0.68502325	-0.38994852	-0.13773584	-0.20656535	0.25634965	0.006747586	0.67234784	0.4890664	-0.28518975	-0.39454672	0.31659794	-0.17241599	0.4949662	0.0931923	0.24769683	-0.31534547	-0.8345876	0.3337107	0.42790252	-0.07444079	-0.2867855	0.013402411	0.31423137	-0.9959867	-0.07392158	-0.08017237	0.44786507	0.4026238	0.3185275	0.11721719	0.14467023	-0.791564	-0.12405622	-0.14022514	0.26562718	-0.1216607	-0.39508608	0.2698504	-0.88349795	0.043508515	0.01974293	-0.062051076	0.20433918	0.5778177	0.1755538	0.26619706	0.28472933	-0.6547166	0.40851077	-0.5834623	-0.77839315	-0.15345716	-0.3170149	0.2946157	0.8592321	-0.5302251	-0.41464478	-0.6767207	0.7043621	0.3416301	0.29220048	-0.34005192	-0.2760084	-0.61450994	0.29506156	-0.96863866	-0.6278982	0.614141	0.4416409	0.7349239	-0.63322365	0.616883	0.10679481	-0.20002234	-0.22412078	0.21127395	-0.4908747	0.25735542	0.005975756	0.13435003	0.3804479	0.5784592	0.60340285	0.10503828	-0.25892246	0.4669281	0.14958592	-0.117923394	0.347078	0.92655945	0.33727688	-0.29670882	-0.82298	0.5020899	0.29601926	0.99965525	0.1154554	0.36098167	-0.3756569	0.472262	-0.1022624	0.65236455	0.87485826	-0.11910666	0.20732717	0.99907905	0.35426098	0.3745489	-0.37380597	-0.6254199	0.99988586	-0.97734946	-0.17836115	-0.20439978	-0.55040395	-0.037034534	-0.26249328	-0.5672708	0.65971434	-0.49347	0.96475565	-0.40155995	0.57703346	-0.46854958	-0.18387716	-0.5177068	0.26695117	-0.16088456	0.8266314	0.11513294	0.63133705	-0.15227993	-0.9999599	0.00123327	-0.35256594	0.722639	-0.05898319	-0.7119175	-0.36418915	-0.024865042	0.28282872	-0.95522964	0.10793253	-0.08515094	-0.10692271	-0.06332919	-0.122561894	-0.48747388	0.06701214	0.389742	-0.5630584	-0.2636226	-0.13762787	0.5643089	0.5984818	0.23227899	-0.21075787	0.8787601	0.18165708	-0.23243901	-0.03537953	0.013921469	-0.6340613	0.74100703	-0.996651	0.14753412	0.058071155	0.7217458	-0.34994537	0.50429296	-0.3531572	0.9995133	-0.43149748	0.14747673	0.22101822	-0.57139343	0.25989667	-0.3827458	-0.8683575	-0.5009236	-0.32232103	-0.6778902	-0.6676761	0.2693705	-0.17012325	-0.6788944	-0.09322901	0.89662385	0.026599234	0.9984213	0.3083192	-0.033829685	-0.23093723	-0.44833237	-0.7684117	0.10422575	0.08371061	-0.32860067	0.43631005	-0.415749	0.14280011	0.41138768	0.42367867	0.567665	-0.50221	-0.3326225	-0.21412256	0.2223888	-0.31443888	-0.08825599	-0.5172184	-0.068421856	0.73521286	-0.24212992	-0.7873825	0.38899964	0.5527031	0.25524634	-0.24263005	-0.46074337	-0.11951361	0.865543	0.8340175	0.018781284	0.73275286	0.10017332	-0.06378953	0.027747847	0.11180057	0.24764001	0.9999998	-0.15639359	-0.9658255	0.4208341	0.99850756	-0.7519674	-0.53402877	-0.99994755	-0.08591033	0.10340522	0.6475525	0.5743022	-0.5794995	0.06286922	-0.01988229	0.21710171	-0.38135132	-0.29431564	-0.50288373	0.14471468	-0.26008973	0.18494979	-0.99997795	0.9732057	-0.9856097	-0.010445537	-0.48415673	0.06744672	-0.6566554	-0.3599554	-0.77967733	0.42744863	-0.022143682	0.26589915	-0.7100945	-0.46721286	0.07991105	-0.62970257	0.22466041	0.18640044	-0.01835175	-0.9414375	-0.9999365	-0.41385666	0.37397894	-0.34519115	0.09446284	-0.44536123	-0.9764382	-0.22350425	0.20858127	-0.36808974	-0.25424522	-0.22269778	0.13071875	0.9293844	0.3094417	0.58401823	0.24394262	0.18107846	0.019942138	-0.5016724	-0.34548602	-0.29086408	-0.23452434	-0.30427867	-0.9925508	-0.1637703	-0.24995004	-0.6934836	-0.75959784	-0.5944856	-0.18305583	0.6650733	0.40201887	-0.26455176	-0.018183373	0.12254322	0.07293787	0.04265692	-0.56855845	-0.1250304	0.26722017	0.99825495	0.58093965	-0.2978617	0.49567902	-0.06674189	-0.12950881	-0.09283463	-0.6313752	0.07849819	-0.3064609	-0.45361704	0.26560393	0.53829455
453	0	CCN(CC)C(=O)C(C)Oc1cccc2ccccc12	-0.7540715	0.279404	0.18314181	0.35323277	0.23227838	-0.6701385	-0.47482255	0.06868706	-0.1798708	-0.19566078	-0.48047656	0.30502972	-0.12159717	-0.45799336	-0.046015147	0.078356124	-0.38495705	-0.64531994	0.12653688	-0.6249673	-0.32484007	-0.7077486	-0.4870447	-0.6141398	-0.5928592	0.5393295	-0.3341353	-0.056064226	-0.4504848	0.6169012	0.36944738	-0.23647256	-0.014277572	-0.8850229	0.10389397	-0.40624717	0.08838823	0.81671685	0.99208164	-0.72154397	-0.99869704	-0.39990428	-0.33465433	0.31256768	0.3117444	-0.90249664	0.31901217	0.6519818	0.90347415	-0.3886665	0.56580734	-0.33177608	-0.20682321	0.445817	-0.7516081	0.21276186	-0.3570048	0.3767557	-0.27335015	0.110552624	-0.35990408	0.12308751	-0.30592737	-0.2514865	-0.33054352	0.16705807	0.22876859	0.72034264	-0.47036907	-0.45600608	-0.46189886	-0.953666	0.47801968	-0.082491115	0.5304053	0.29911783	-0.2950386	0.045023985	0.101843506	-0.9998023	0.42698324	0.1997055	-0.86391073	-0.2831552	-0.04097279	-0.8123916	-0.5495926	-0.21857214	0.15505217	0.43154195	0.2081269	0.3417533	-0.053983595	0.21896495	0.9726016	-0.2491543	0.5006389	-0.43553093	0.54299504	-0.22847307	0.68735296	0.13673183	0.39568323	0.82100075	-0.82792133	0.006198017	0.30780962	0.554672	0.9774281	-0.5757436	0.68099153	0.5279799	-0.29768324	-0.43434897	-0.08778877	0.6939149	0.35866016	0.5737955	0.9953669	-0.034461003	-0.27181983	-0.55733114	0.41949058	0.07380494	-0.049986348	0.48352313	-0.3516552	0.42800888	0.13215253	0.99983037	0.20549917	0.16015399	-0.14923847	-0.42080694	-0.24717411	-0.98782516	-0.065059505	-0.11681442	-0.6671635	-0.49012905	-0.99963397	0.3088605	0.96229064	-0.5485239	-0.5998332	0.36230555	0.15537058	0.30766934	0.35432556	-0.29178062	0.19714403	-0.14481829	-0.20399192	0.40423357	-0.003984202	0.18969578	0.01768717	0.90478414	-0.38776436	-0.9567689	-0.9208607	-0.10851957	-0.8851989	0.56365573	0.23800567	-0.40065137	0.07578307	0.042948704	-0.54720825	0.54582876	0.23897459	-0.22202119	-0.1638525	0.5617372	-0.46683037	-0.9559441	-0.5795787	0.79767007	-0.115472935	-0.23448119	0.5761613	-0.42738312	0.50988245	-0.19374657	-0.49259502	-0.5721986	-0.12738048	-0.5021692	0.12378774	-0.20163782	-0.7531671	-0.17899656	-0.14827926	0.002767201	0.47156715	-0.485922	-0.65304697	-0.9290754	0.64031506	0.51070684	-0.01190067	0.4747206	0.6015575	-0.15243538	0.6049685	-0.26088023	-0.39329153	-0.17043321	-0.08792007	-0.9997343	0.5252535	0.003045813	-0.055918515	0.28430298	0.39454365	0.12617321	-0.18438554	0.17607065	0.46358576	0.15450864	0.45662653	0.6148251	-0.6397931	0.14406626	-0.9886153	0.29005775	0.38697392	-0.04461825	0.08930586	-0.30772817	0.07525021	0.45474553	-0.23950228	0.1697354	0.027395029	-0.255749	0.096334115	-0.53532183	-0.42034796	-0.37773755	0.8915382	0.38089272	0.4046162	-0.14306521	0.53004384	0.050413214	-0.040516414	-0.37816465	0.074228056	-0.16738929	0.53279585	-0.97138464	-0.13578646	0.10662441	0.14103389	0.04498669	-0.6186487	0.066499196	-0.30046654	0.5808892	-0.27006134	-0.49747136	-0.68998146	-0.38496238	0.45105034	0.52329284	-0.005610263	-0.3214966	0.8598226	0.38569093	0.12630156	0.59503806	0.3237378	0.3928873	-0.13122945	-0.7538039	0.59123236	-0.5740546	-0.6025819	0.041525133	0.05359397	0.9991523	-0.5767937	-0.23177998	-0.6985162	-0.07508968	0.36758485	0.8919189	0.94595176	0.09015076	0.15035786	0.9908905	0.40461314	0.54714406	0.009511612	-0.6831735	0.9999171	-0.97857475	0.012173683	0.0867845	-0.10539248	0.09259035	-0.38937438	-0.32195044	-0.47448832	-0.5735835	-0.31370035	0.0918474	0.64740443	-0.37111816	-0.82820976	-0.16523635	-0.12824574	-0.38029468	0.64261997	-0.16510192	-0.41917083	0.06234526	-0.99998105	0.47794923	0.2626445	0.5064905	-0.23175283	-0.2797576	-0.0446675	0.56485695	0.16078024	-0.9584642	-0.68661636	0.70359707	-0.30808023	-0.38610435	0.030821947	0.019823987	-0.54243404	0.3189188	0.008780307	-0.58701116	0.18407829	-0.027955687	0.29762125	0.6627224	0.56558466	0.861928	-0.002540546	0.02762276	0.21547613	0.69949144	-0.37419912	-0.31147113	-0.9892934	0.7597002	0.7619266	0.7359871	0.61086875	-0.27550694	-0.06800759	0.9998652	-0.25937814	-0.6064484	-0.4392245	0.016281394	-0.39636534	-0.17974028	-0.88302547	-0.088176504	-0.44870177	-0.4579226	-0.37157807	-0.1857009	0.28756925	-0.4633015	-0.23859864	0.66755664	-0.19569124	0.9994505	0.44038105	-0.28604263	0.4117642	0.033412665	-0.12212162	-0.4445323	-0.00784163	0.5356696	0.3599648	-0.3587531	-0.12792109	0.48930603	0.61849296	0.344287	0.2585479	0.18984373	0.38134745	-0.18621053	0.26765928	-0.73925966	-0.2657606	-0.6888096	-0.05351435	-0.28354716	-0.5113556	0.13501757	0.101011895	0.5208968	0.50494003	-0.4995937	-0.4069631	-0.8056681	-0.805632	-0.03495772	-0.4390592	0.30108097	0.3338338	-0.066336155	0.009568562	0.40224427	0.99999994	0.080882035	-0.9223265	0.26923317	0.9998971	0.018497638	-0.4435366	-0.9999696	-0.008664461	-0.5723572	0.17636892	-0.2562683	0.5028194	0.13166629	-0.021555776	0.103162184	-0.11326598	-0.44628853	0.15026091	-0.23879552	0.21182805	0.066233344	-0.99995184	0.9868403	-0.78859967	0.8367772	0.50186807	-0.19825402	-0.43774512	-0.28688708	-0.66162455	0.16727395	-0.006257027	-0.048081513	-0.6697764	-0.40268025	0.004994987	0.08089609	0.07223952	0.38562998	-0.015752308	-0.33413073	-0.99987805	-0.18887186	0.68020517	0.16062479	0.15759438	-0.047317777	-0.9849003	0.057223607	0.30600393	0.26553106	0.12854412	0.3204386	0.70600367	0.9818838	0.46350956	0.8424339	0.4594491	-0.22580026	-0.18126419	-0.26932323	-0.6874094	0.66862136	0.2584853	-0.69444305	0.8266424	-0.44426563	-0.25422242	-0.3633921	0.2658504	-0.38264918	0.24420951	0.6204699	0.15166172	0.37420186	-0.6897791	0.96412694	-0.17406023	0.086144835	-0.18124746	-0.6421581	-0.007173944	0.99994177	0.27804288	0.26829976	-0.038843583	-0.40375158	-0.38425428	-0.3832091	-0.9386679	-0.19021831	0.4096548	0.3976617	0.5966847	-0.26972267
454	0	O=C(O)c1cccnc1	-0.79777783	-0.4419063	-0.4174114	0.20557298	-0.11794532	0.048951987	-0.4012632	-0.4462709	0.35310858	0.35676536	-0.14482385	-0.402182	-0.20093806	-0.8211387	0.008992321	0.6374134	0.20965259	0.6974171	0.37927172	0.44935492	0.5504387	-0.83480495	0.011952691	-0.023077117	-0.008438274	0.22317117	0.46017545	0.4170186	-0.13882105	0.1362008	0.111690626	0.35298225	0.05062008	-0.15258594	-0.013581264	-0.46332005	-0.17926143	0.5019516	-0.78690755	-0.8778195	-0.99805796	-0.25392184	-0.29031006	-0.28933227	0.35268104	-0.99783933	0.004242282	0.16130051	0.9185136	-0.12653737	0.21741624	0.4865112	-0.16498926	-0.3980647	-0.9343944	-0.033698533	-0.5428739	0.9731593	-0.031585153	0.047110144	-0.2834022	-0.40399927	0.55494434	-0.5063627	0.25742298	0.16116591	0.18766043	0.2884489	-0.093050376	0.2599721	0.5565416	-0.9991299	-0.25048658	0.39498028	-0.4622627	0.76962036	-0.34652212	-0.3381768	-0.108522855	-0.99895644	-0.4507571	-0.23692329	-0.7936138	-0.6805824	0.55008626	0.9145044	0.7055957	-0.029913602	-0.19617444	-0.000412453	0.24698146	-0.12708446	-0.12351511	0.22710401	0.9397507	-0.14197469	-0.60965157	-0.18078132	-0.45604974	-0.03662934	0.06897119	-0.46539795	0.084060535	-0.5759678	0.98883915	-0.41996354	0.4552421	0.20707919	-0.83929634	0.26831377	-0.11178429	-0.43893248	-0.18460019	-0.23048493	-0.11761439	0.23732452	0.16647631	0.16996306	0.99923193	-0.12917109	0.27700546	0.24838652	-0.5523437	0.5197639	-0.40962532	-0.028646184	-0.57490337	0.010575649	0.29435524	0.98211616	0.3143557	-0.024189578	0.062442783	-0.33460385	-0.5234007	-0.23984687	0.4314238	-0.011211431	-0.4736485	-0.104170576	-0.99440217	-0.43744734	0.943795	0.31656957	0.30258572	0.20137478	0.37908384	-0.21578494	0.99886173	-0.13761385	-0.05069461	-0.5474925	-0.3574665	0.59632194	-0.15205595	-0.06517787	-0.39248306	0.99960965	0.36056793	-0.7016932	-0.9944156	0.67874634	-0.3028396	-0.06781234	-0.11170512	0.047294755	-0.081517585	0.5100584	-0.46781084	-0.2993438	-0.5895067	-0.025306525	0.46402374	-0.2836513	0.3842539	-0.97119105	-0.7014163	-0.60433596	-0.53020954	0.33491865	0.044389006	-0.9319	-0.10781243	-0.12021611	-0.918831	0.24442503	0.59654665	-0.03424933	0.1002556	0.053136323	0.77772176	0.46688423	0.23465736	0.12925914	0.24829455	-0.2157653	0.137405	-0.48521894	0.25467312	-0.3181051	-0.4067138	0.27600357	-0.605356	-0.1893262	0.24197595	0.35932496	0.35624713	0.51664805	-0.38285306	-0.018040579	0.21674234	0.09945482	0.31764963	-0.44000918	-0.5497697	0.32096875	-0.1876286	0.022945099	0.36550587	-0.03097289	-0.29087386	-0.24446996	0.39241302	0.14078136	0.99834824	-0.113809116	-0.30342624	-0.08237804	-0.022026608	-0.062670015	-0.12328191	-0.22248207	0.3032124	-0.3712656	-0.44351	-0.6128691	-0.3935265	-0.024104072	0.12321759	0.27771258	0.8536657	-0.2613406	0.13115439	-0.5051243	0.5149358	0.3711528	0.1466074	0.41172525	-0.5313499	-0.02251053	0.53292555	-0.9953571	-0.46762806	-0.16444711	0.43108368	0.05376923	-0.34377185	0.3915673	0.3481611	0.4508215	0.36216807	0.6276873	-0.41705278	-0.48401144	0.49229473	0.23095787	0.065476626	0.4881305	0.3674217	0.26781398	0.025867136	-0.9828914	0.36203334	-0.019966815	0.41863805	0.9421579	0.05070409	-0.388875	-0.2723284	0.75707537	-0.25959668	0.99930805	0.18873866	0.57924104	0.07095453	0.09895802	-0.69283825	-0.9173725	0.53743553	-0.025788138	-0.054389954	0.99966484	0.12471412	0.57925093	-0.103869624	0.4976401	0.9966171	-0.18020035	0.037857976	0.11766941	-0.46191415	-0.029369147	-0.061613537	-0.014374732	0.24920934	0.43800887	0.99932104	0.029510139	-0.49957216	-0.15306228	-0.083225876	-0.19675681	-0.31388584	0.4474388	0.17044878	-0.21276824	-0.48318133	-0.2774592	-0.98264295	-0.31997207	-0.4857394	0.78932893	0.2123176	-0.36465037	-0.45998123	0.050100703	0.2886212	-0.91128474	-0.05883499	-0.13033754	-0.028064681	0.091180205	-0.3465037	-0.4457148	0.3803226	-0.83210003	-0.16551779	-0.08610923	-0.6052101	0.07139296	0.5212948	-0.22876728	0.01152011	0.87482196	0.30432567	0.011497377	0.4896404	-0.15797268	-0.07776174	0.9732133	-0.9955845	0.27442518	-0.39621338	0.2397873	0.01781124	-0.13023022	-0.14276557	0.9273324	-0.18149091	-0.07444517	0.46119198	0.13437098	0.36611438	0.02570979	0.1311457	-0.013622472	-0.1425013	-0.5433498	0.0000648	0.2863588	-0.012889765	0.00892071	-0.051543985	0.96666867	0.49713528	1	-0.14918536	-0.3994156	0.28078142	-0.67220116	-0.9192104	-0.74953216	0.19855185	-0.45166487	-0.012304157	0.14630672	0.4368968	-0.09535073	0.19533207	0.6682086	-0.3843239	-0.07589544	-0.14162931	0.14696158	-0.19332102	-0.31365407	0.13005705	0.7332562	0.77487904	0.751537	-0.6804632	0.37551984	0.013222971	0.17091416	-0.11935657	-0.34494835	-0.6000485	0.5162189	-0.37862882	0.18319392	0.72079766	0.28673396	-0.1801254	0.25276822	0.04249902	-0.34226343	0.99996066	0.14155224	-0.9954036	-0.3790576	0.99551904	-0.5405219	-0.10168734	-0.9971619	0.07398925	0.6371407	0.5751921	-0.3730089	-0.747513	-0.018706083	0.024098745	0.92669904	-0.44179597	0.2867128	-0.18297805	-0.04475803	-0.14999703	-0.34866786	-0.9999322	-0.9995765	-0.99642044	0.1417074	-0.30038825	0.042903345	0.6470878	0.32019672	-0.7608515	-0.011763355	0.5041433	-0.29008627	-0.54513776	-0.06432404	-0.09273634	-0.10102517	0.2364072	0.08551721	-0.687952	-0.9959678	-0.99989223	-0.3842798	-0.51072294	-0.32184854	0.2232081	-0.26303285	-0.8590733	-0.1337347	-0.14135052	0.38544095	0.03133687	0.23899285	-0.105721325	0.8951047	0.4155996	0.9590035	0.4246592	-0.6038567	0.25446555	-0.6850259	-0.14552669	0.10969443	-0.07806931	0.8556744	0.08506632	-0.023092642	-0.35207087	-0.46429437	-0.4339989	-0.3083783	0.047431696	0.20208836	-0.11298885	-0.38074327	0.4017023	-0.9843869	-0.21170586	0.08458236	0.20345558	0.32873905	-0.14208499	0.9988404	0.24379309	-0.101516664	-0.032642674	-0.18544593	-0.44813904	0.14240298	0.91590106	-0.32030892	-0.4780483	-0.5966762	0.7350588	0.5854121
455	0	Clc1cccc(C(Cl)(Cl)Cl)n1	-0.50633013	-0.52094287	-0.2720233	0.64975524	-0.61051685	-0.6112931	-0.786297	-0.1728914	0.6353262	-0.8393269	-0.3070724	0.027236471	-0.097792745	0.22500698	0.6873773	-0.64701647	-0.41923186	0.11114306	0.44083476	-0.22264282	0.457837	-0.6207281	-0.108455	-0.186656	-0.08256457	0.25266555	0.014157876	0.2898193	0.52546453	-0.61938506	-0.2862317	0.56535006	0.017618906	0.43053836	0.5908855	0.30081964	0.28074858	0.6682416	-0.063473664	-0.96805835	-0.9879099	0.097530894	-0.27105677	-0.0811182	0.33749005	-0.99660736	0.189331	0.22254339	0.9989982	-0.4485204	-0.33139208	0.37894055	0.32870692	-0.2985987	-0.981379	0.29701832	-0.6509549	0.9310984	0.025371123	-0.13442533	0.16398104	-0.5515538	0.051036425	0.14623404	0.3880856	0.73621184	0.19018199	0.20003588	0.30572203	-0.106533974	0.7396126	-0.8708942	0.3876702	0.15276897	0.7840023	-0.7094183	0.19250347	0.15933397	-0.22781458	-0.9982122	-0.5285219	0.3460965	-0.70609367	-0.1317149	0.21790645	-0.25045332	0.56843597	-0.04198397	-0.6154054	0.09181257	-0.026278943	0.41172534	0.77315867	0.03599149	0.27052647	-0.372884	0.23778099	0.3815182	0.64300853	-0.3894407	0.59463733	-0.47792056	0.62602776	-0.54088616	0.9183617	-0.36862755	-0.19666062	0.23214522	0.9853971	-0.33927658	-0.42856202	0.021263598	-0.55842584	-0.3867101	-0.07480848	0.26249576	-0.25760356	0.46682584	0.9995751	-0.28756365	-0.31349534	0.30537364	0.46877754	-0.23036888	0.029913202	0.1156379	-0.3915584	-0.5806629	-0.3740461	0.9997461	-0.24007145	-0.2458774	0.6766565	-0.1701054	0.31379312	-0.78009593	0.39272887	0.33909574	-0.31457004	-0.4545122	-0.9991501	-0.28608713	0.99748033	0.187725	0.33639297	0.6809445	0.52299374	0.026876945	0.99145585	-0.27459556	-0.37824696	-0.62952983	0.13635322	-0.5375797	-0.2658321	-0.067973785	-0.12685692	0.99942756	-0.40300906	-0.94844306	-0.9890408	-0.3215206	0.25671887	0.3574049	0.42507997	-0.06259886	-0.23982865	0.25674766	-0.19678761	0.37309426	-0.8649166	0.22513591	-0.41475612	-0.32670012	0.5446413	-0.8998268	-0.8724589	0.06990809	-0.43783763	0.24876577	-0.0820665	0.6651133	-0.28343678	0.14655833	-0.9256707	-0.23052622	0.14243872	0.65883535	-0.06706398	-0.6012712	0.80701435	0.8139006	0.22532754	0.470233	-0.3694627	0.5040518	0.12342113	-0.5737443	0.29845518	0.4743011	-0.12004953	0.4595658	-0.8362164	0.3127491	-0.03109739	-0.12759063	0.61135745	-0.25921085	0.34316507	-0.9319698	-0.53302944	-0.11776138	-0.14811353	0.057242833	-0.4925954	-0.17671557	0.18595456	-0.31559145	0.23106405	-0.062311515	0.28896004	-0.34152472	0.32991534	-0.57563365	-0.984498	-0.14106545	0.46402797	0.3955738	0.21130012	0.30237445	-0.4616316	-0.059708603	0.0078081	-0.59407157	0.20512043	-0.33525905	-0.5477808	0.14029144	-0.80765754	-0.28497747	0.88052326	-0.19871314	-0.2924725	-0.0360457	-0.025376787	-0.5770718	0.27625343	-0.005293408	0.34150517	-0.5381762	0.09161368	-0.99844426	-0.787255	0.6183105	-0.26021004	-0.18131775	0.1664867	0.37176803	-0.03026535	-0.08379882	0.05939163	0.3830128	0.4817789	-0.72647065	-0.05345852	-0.1946815	-0.042513818	-0.519351	0.75547624	0.7671571	-0.446123	0.63210166	-0.08944875	-0.23025747	-0.0652701	0.8953767	0.4008881	-0.54038936	0.08659262	-0.27565658	0.5330572	0.9995173	-0.088940166	0.60820043	-0.058578994	-0.24894635	-0.537782	0.6270006	0.955151	-0.580438	0.08281167	0.9996403	0.13508005	0.7527599	-0.3315938	-0.5546568	0.9976489	-0.9825214	-0.038987603	0.6099277	-0.03517184	0.124555394	-0.09083375	0.6083973	0.6479713	-0.0753711	0.99826443	0.71390843	-0.26833364	0.23863119	0.23711973	0.17029755	0.17400756	0.20447606	0.9498478	-0.79376715	-0.35225102	0.058378134	-0.999979	0.28189954	0.122777864	0.0571284	0.31116894	-0.4491544	-0.3685641	-0.7272362	0.51879835	-0.94526005	-0.19064231	0.76715946	-0.41172838	-0.48738262	-0.48651809	-0.40779683	-0.009758748	0.8130363	0.13793327	0.3900055	-0.3582703	0.03946495	0.16483805	-0.8210535	0.20209941	-0.07797427	-0.12004297	0.3571689	0.08769887	-0.1442103	-0.34032714	0.9511571	-0.99669284	0.09035152	-0.66388685	0.033473246	0.44854692	-0.054998703	-0.45885828	0.9975669	-0.35030198	-0.21517164	0.09585403	-0.40034994	0.15844947	-0.087902896	-0.57518226	-0.3179524	0.7241904	-0.12596726	-0.536605	0.30848235	-0.09536425	-0.081005044	0.54833245	0.8917571	-0.10492715	1	-0.4848662	0.004083461	0.043942086	0.07794536	-0.91452044	0.50618047	-0.04812581	-0.25138277	-0.6792738	0.005614325	-0.10912541	0.39029628	-0.20216185	0.7667823	0.2118001	-0.05653835	-0.334595	0.5756136	0.5915886	-0.38534132	-0.09627374	-0.03284303	0.9112267	-0.6952787	-0.9560565	0.1978557	-0.27129704	-0.24683215	0.16426483	-0.36572614	-0.64171433	-0.018070173	-0.20038986	0.027057398	0.89277315	0.26046017	0.36072373	0.5688927	-0.07962144	-0.2423178	0.9999999	0.16531399	-0.98158926	0.7175749	0.9970641	-0.7101007	-0.5836067	-0.99985373	-0.20974359	0.6203664	0.64895666	-0.29442623	0.17815895	0.24412616	0.29484224	-0.08403719	-0.10216488	0.023339946	0.03548487	0.236076	0.025092036	0.17455727	-0.99998945	-0.99794	-0.99715257	0.3549186	-0.43264374	-0.16242996	0.80014366	-0.494786	-0.85673636	0.38021916	-0.219888	-0.2109094	-0.51634026	-0.18260695	0.5244897	-0.099813566	0.4827541	0.41568148	-0.7157909	-0.98949724	-0.9999458	0.003930968	0.23635392	-0.21775532	-0.020889355	-0.07165196	-0.9957451	-0.4130422	-0.008702255	-0.03499005	0.4935877	0.23532267	-0.2954663	0.88523406	-0.19626157	0.68593895	-0.3035092	0.41258058	0.046991248	-0.5490042	-0.16145442	0.5190253	-0.62981254	-0.4719977	-0.8184214	-0.352101	0.119120836	0.18647772	0.14238326	0.4770038	-0.44516248	0.6529414	-0.000331782	-0.37342525	-0.001391157	-0.91094106	-0.06394972	0.03646611	-0.19135113	0.18289927	-0.085937805	0.9996277	0.7351412	0.32467294	0.74629515	-0.10618739	0.54411006	0.4751311	0.43075138	-0.100969285	-0.309847	0.24728611	0.08574283	-0.041839343
456	0	O=C(O)CN(CC(=O)O)CC(=O)O	-0.73965377	-0.11115804	-0.93460375	-0.35895857	0.11769953	-0.087829664	0.13070646	0.058290742	0.3694037	0.6798293	0.602355	-0.06317939	-0.6581541	0.32440668	-0.24676715	0.8251365	0.17384008	0.2532993	0.2571707	-0.06341896	0.51330185	-0.7212612	-0.5931649	0.012744105	0.2307381	-0.29257056	-0.065227844	-0.3674155	-0.27983743	0.06755302	0.52724016	0.11616408	0.42851102	-0.14341752	-0.722917	-0.75999534	-0.62296414	-0.31439766	0.57635725	0.5111723	-0.8542142	-0.3090294	0.51283073	-0.21359709	0.5103411	-0.99367917	-0.14515248	0.18216318	0.825993	-0.28620288	0.025959961	0.2305478	-0.0726167	-0.6259083	-0.026260033	0.30162627	0.48599336	0.8388641	-0.369625	0.42660612	-0.62848246	-0.06505314	0.3780086	-0.6863661	0.18435855	-0.15399182	0.42633516	0.04460622	0.06865944	-0.20869094	-0.7949133	-0.99995327	0.56841916	0.8675441	-0.7820634	0.67653215	-0.37728485	-0.41343775	-0.5150964	-0.9996222	-0.9344681	-0.58042866	0.20669208	-0.62601745	0.59385353	0.9867085	0.59799176	0.32536814	0.06968217	0.6008909	0.6904622	0.7482374	-0.00241335	-0.30343422	0.99987334	0.35757193	-0.9804656	0.003546122	0.12850088	0.67175615	-0.034411334	-0.35847533	-0.023352252	-0.51446205	0.7037315	-0.48967585	0.21754918	-0.032365575	-0.9999962	0.07812648	-0.08373204	-0.39750323	-0.4060144	-0.76715297	0.5196066	0.7847154	-0.22171435	-0.06772643	0.9996382	-0.13540106	-0.39121568	-0.2618297	-0.82221425	-0.053990707	-0.71548873	-0.3649923	-0.5753112	0.23336963	-0.24472733	0.6717447	0.4082778	-0.4042298	0.1023189	-0.09107943	-0.5971028	0.82993597	-0.73035365	-0.71665585	-0.59075767	-0.059323195	0.9995915	-0.24221073	0.006881455	0.10305331	0.6545416	-0.2443763	-0.25091398	-0.16427638	0.97905433	0.44900578	-0.47300792	-0.5498857	-0.17651351	0.3786618	-0.05973949	0.4269104	0.28367034	0.99721766	-0.5209482	-0.6243359	-0.99343926	0.3952876	0.23038438	-0.12555327	-0.10795294	0.46475577	-0.5715361	0.61308974	-0.08448123	-0.13673851	-0.7061857	0.108846456	0.70845556	-0.22098272	0.7185011	-0.95277095	-0.49817935	-0.5459202	-0.56228244	0.34474704	0.14162506	-0.9998944	0.20064144	-0.49302545	0.16306536	-0.30845466	-0.22330531	-0.31881472	-0.11765433	0.56690323	0.675966	-0.112058386	0.23543492	-0.16307817	0.007644213	0.40339598	0.4750016	0.88886136	-0.84430707	-0.20401789	-0.03772076	0.07114207	-0.18386585	-0.08484974	0.84401226	-0.043484006	0.06733447	0.65707505	-0.6090186	-0.99183744	-0.058147	-0.13250656	0.5953304	0.13417107	-0.14631343	-0.20112641	-0.3235556	-0.45370162	-0.49236616	-0.7050485	-0.67537314	-0.48567832	-0.00888049	0.33419952	0.9999999	-0.067068554	-0.5814429	0.101523675	0.27834293	-0.71715355	0.034967728	0.036251336	0.11875146	-0.5941118	0.07855467	-0.30482975	-0.22462739	-0.56332743	-0.18484192	0.18221779	0.8583155	-0.10462585	0.013751545	-0.57995063	-0.8035521	0.36103517	-0.3714202	-0.012308384	0.06489317	0.18680112	-0.43889573	-0.9998837	-0.2663341	-0.14309804	0.7089679	0.027374277	0.4812603	0.5111451	-0.41060352	-0.5375462	0.23706378	0.1236324	0.5256719	-0.08789778	0.45668054	0.45959502	-0.08699655	0.78210354	0.585748	0.06881677	0.49289295	-0.34741718	0.1353627	-0.07784169	0.14105669	0.87073463	0.4145058	-0.002887531	-0.9196753	0.46409076	-0.18373191	0.9992825	-0.3598655	-0.65303266	0.37020218	-0.091122024	-0.723087	-0.99241936	-0.9875278	0.33601752	0.49919957	0.9993252	-0.16149127	0.8286189	0.14518878	-0.21435805	-0.99722296	0.87626183	-0.16143456	-0.17043765	-0.14782026	-0.12170421	-0.121342555	0.27916643	-0.6868117	0.25030762	0.9772871	-0.6181933	0.46990487	-0.47835517	0.004094283	0.23516782	0.0703493	0.26233983	-0.9863458	-0.002801238	0.24726549	0.0510511	0.99991	-0.29258615	-0.054123692	0.38982153	0.3620676	0.2429971	0.13860588	0.32777095	-0.16479145	-0.1631019	0.57093143	-0.8605544	0.4618739	-0.13314202	-0.52768576	-0.3962483	0.4555475	-0.9966077	-0.1024342	0.43746594	-0.79407203	-0.14468941	0.6591031	0.23417152	-0.41895974	0.6031487	0.18971856	-0.30054754	0.42638758	0.5759	-0.059915368	0.8507638	-0.9848632	-0.22769739	0.1685524	0.24414822	-0.14581428	-0.77629256	-0.6456289	0.9988827	-0.7624387	0.94839644	0.27675313	-0.10485681	-0.23852096	0.1417331	0.6737151	-0.006863888	0.1723805	0.35307294	0.38264886	-0.39755458	0.27319872	0.020641595	-0.49049538	0.7808304	0.27537632	1	0.23855653	0.036342748	-0.0710848	-0.2096492	-0.41412228	-0.3005744	0.68568814	0.5213666	0.5137199	0.71268135	0.053516798	0.17307231	-0.08276988	-0.4649388	-0.5137701	0.28441036	-0.44463444	0.7001416	-0.46812227	-0.93375075	0.7561138	0.92866534	0.49966353	0.9354508	0.95071006	-0.17812859	0.32401913	-0.5720923	-0.71277225	0.42483863	-0.63646287	-0.0803916	0.121788934	-0.09806301	-0.07826246	0.32692215	-0.001910723	0.24833994	0.24981505	-0.25124964	-0.92281944	0.038067166	-0.88555336	0.017797427	0.99983853	-0.68096733	0.3768751	-0.5889128	-0.48573452	0.2042155	-0.6416571	-0.23494229	0.09187479	0.060564116	0.55719954	0.96643025	0.6693438	-0.6068325	-0.45104215	-0.5045641	-0.020268772	0.2491233	-0.9999556	-1	-0.9929953	-0.31047198	-0.27868912	0.7825187	-0.32275426	-0.7421703	-0.45358258	-0.15231411	-0.29847968	-0.17914337	0.43663582	0.09022076	0.4926452	0.5713644	-0.6259571	-0.011658406	-0.4900755	-0.9803924	-0.99992496	-0.021909729	0.2229921	0.45711195	-0.31395805	0.33824906	0.9308795	0.6059764	0.4146805	-0.47569478	0.4746054	-0.3920183	0.22058086	-0.9497998	-0.24739964	0.20569262	-0.5674399	-0.7846489	0.24718496	-0.82965183	0.24331997	0.09982808	0.51647615	0.98790693	-0.66645384	0.50001276	-0.4698651	-0.1867586	-0.1293099	0.35029307	0.5062674	0.22181578	-0.100582674	-0.21642737	0.18732525	-0.38505712	-0.26977003	-0.44829497	0.30329728	-0.18121253	-0.51204014	0.9999853	0.03770071	-0.7446334	-0.66495323	-0.9314218	0.38339135	0.07536141	-0.7383981	-0.75356466	-0.5370076	-0.24167691	0.781571	-0.115017466
457	0	O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1	-0.05864966	-0.3806299	-0.13953502	0.5087683	-0.32947743	-0.59147155	-0.7872556	-0.11543584	0.35155952	0.03431883	-0.21685201	0.54658204	-0.13008295	0.05038357	0.37074053	-0.5815547	0.15798019	0.43219626	0.37416688	0.3276863	0.69728494	-0.19330068	0.14365613	0.118325725	-0.31951356	0.10686867	0.14929092	0.030623093	0.03447387	-0.7086026	-0.06895239	0.41264588	-0.2299666	0.120656416	0.43563533	-0.14291424	-0.12481926	0.8143551	0.9723051	-0.86663276	-0.9958549	0.27790976	-0.5119449	0.1623012	-0.0754796	-0.9527053	-0.18188487	-0.18539576	0.92662036	-0.18867216	0.7105018	0.122869305	-0.5471058	-0.07149159	-0.74956745	-0.06383985	-0.6682113	0.602672	0.39230815	0.52069914	-0.5893461	-0.25528634	0.13648331	0.066868864	-0.4839238	0.6998756	0.6503934	0.59344214	-0.43967137	0.18798469	0.2152414	-0.6268246	0.27521282	-0.7497704	0.6501838	0.03009214	-0.26919052	0.102742516	0.114146516	-0.9963277	0.49039632	-0.61374956	-0.8628043	-0.8009568	0.38277352	-0.92091566	-0.34355387	-0.041205972	-0.8379326	-0.19102499	-0.4659076	0.49817312	-0.28854987	0.24449773	0.944618	-0.19747487	0.7980701	-0.28788996	-0.03165013	-0.40259582	0.7094094	-0.75068027	0.2558481	0.9267101	-0.6782681	-0.8023329	-0.12243518	0.1978663	0.9911274	0.09342693	-0.22273046	-0.6774829	-0.32613418	0.08653279	0.4158628	0.2154232	0.7953119	0.62248075	0.9984144	-0.30099002	0.02770416	0.42466208	-0.48408425	-0.065613225	-0.63318044	-0.11782121	0.5317506	-0.5451641	0.23815587	0.99993753	0.30064684	0.43512997	0.4464922	-0.0967334	-0.074754424	-0.9745876	0.12601338	0.50855404	-0.23986806	0.046548747	-0.99977165	-0.26974624	0.9328714	-0.42159742	0.24537994	-0.27959272	-0.55182415	-0.29035258	0.83630455	-0.43334156	0.3211017	-0.62856406	-0.1507384	-0.10674583	-0.16355525	-0.020600498	-0.42985788	0.97383565	-0.60872126	-0.9276925	-0.9580948	0.069382176	-0.058030806	0.1783427	-0.058563184	0.59875774	-0.6659369	0.08272131	-0.5446874	0.20284018	-0.3924795	-0.1769324	-0.4393361	-0.04290782	0.5785482	-0.96276057	-0.74591017	0.020995015	-0.32563558	0.18683858	0.44885066	-0.9206564	-0.64394164	0.47357273	-0.84364456	-0.31924772	0.50216585	0.51721483	-0.3578219	0.23417975	-0.10806165	0.38671345	0.062028244	-0.29106823	-0.42792138	-0.34732085	0.42629677	0.6039976	0.40971464	0.6722173	-0.42115667	-0.455841	-0.58002883	0.6005392	-0.023590134	-0.678379	0.57075864	-0.65849715	0.12027822	-0.99709105	0.54474753	0.16489613	-0.37509933	-0.06521838	-0.025215212	0.64306366	0.16724865	-0.027176473	0.24808796	-0.44648114	-0.10527096	0.003552614	-0.3523417	0.4889382	-0.9494164	0.6749051	0.12372837	0.8119471	0.2639882	0.34842354	-0.6409646	0.32543686	-0.18429033	-0.39879724	-0.00795811	-0.3576583	-0.19524969	-0.3311	0.39474332	-0.3064745	0.60133964	-0.022790283	0.47256494	-0.6597421	0.80632323	0.1646	0.47679234	-0.053195145	0.27626562	0.11958337	-0.056574624	-0.9719735	0.010634434	0.67535365	0.30303138	-0.06411706	-0.11139542	0.5738182	-0.05402669	0.18676928	-0.4415667	0.4309262	0.3620652	-0.6136749	0.6833849	-0.03223409	-0.35581806	0.2672439	0.14790323	0.52414954	0.27573594	0.14151827	0.4249151	0.24358267	-0.57724804	0.88121015	-0.25436655	-0.5253276	-0.4436143	-0.07723459	0.4632376	0.9995534	-0.30930373	0.794876	-0.09758767	0.061251484	-0.11809203	0.77881294	0.97858	0.40504837	-0.049560376	0.99678445	0.4673457	0.10657225	0.16532713	0.4780844	0.9999412	-0.9914563	0.3117488	0.72851557	0.19082345	0.19022466	-0.78998613	0.25207558	0.29392022	-0.34452766	0.5181406	0.44692373	0.6618627	0.16599454	-0.2512506	0.13751638	-0.37111217	-0.14901362	-0.088420846	-0.27037707	0.3597151	0.0933019	-0.9999714	0.444472	0.16436717	-0.37059793	0.50580794	-0.8594273	-0.1180849	-0.1544971	0.58047885	-0.9599012	-0.105164416	-0.1375386	-0.13908274	-0.42073563	-0.4198951	-0.26128367	0.53321815	0.6841147	-0.09427281	0.30723202	-0.24538413	0.6329781	0.5189016	-0.23755556	-0.6386777	0.5220037	0.2230856	-0.10915696	-0.13334392	-0.060475368	-0.8173176	0.06642828	-0.99472004	0.007065469	-0.2714251	-0.6947795	-0.055780653	0.38291922	-0.17260353	0.9993659	0.025473734	-0.22106685	0.008177063	0.3570732	0.68760395	-0.2608924	-0.8884201	-0.18217899	0.052120294	-0.6773232	0.32422227	0.5203291	-0.7155955	0.59998393	0.2716589	0.64582163	0.17989166	0.9983318	0.34435612	-0.7335992	-0.17145576	-0.39074853	-0.45898035	-0.36359632	0.08845622	-0.7725018	-0.03960784	-0.45071912	0.2614436	-0.53097004	-0.34900215	0.72598237	-0.7220923	-0.21821542	-0.00874524	0.21738514	0.55948526	0.038235858	-0.07071141	0.03796459	-0.15824585	-0.26355112	-0.25504273	-0.050358273	-0.122647665	0.43089867	0.105976954	-0.06820042	-0.36622354	0.9507936	-0.22111961	0.47698674	0.33689493	0.56457543	0.38253498	0.3729768	0.6473472	0.07519443	0.9999998	0.42868525	-0.98883873	-0.051189676	0.99931675	-0.41619852	-0.31692544	-0.99992776	-0.2833114	-0.5137347	0.48142487	0.027850868	-0.52378935	-0.21831693	-0.30426136	-0.51117074	-0.11951058	0.26471594	0.01740402	0.07452246	-0.048575576	0.27788216	-0.999994	0.9948611	-0.90967464	0.61818707	-0.15280874	-0.120810606	-0.50733876	-0.45705682	-0.5503474	-0.026017834	-0.3542256	0.48716468	-0.9374689	-0.07222834	0.5323072	-0.24836797	0.52623856	0.1917845	0.34372056	-0.6221746	-0.9999648	-0.18265727	-0.11299687	-0.23266771	-0.33484367	0.27110702	-0.9611696	0.7856136	-0.23617075	-0.22236998	-0.23150678	-0.42759463	-0.092339106	0.96942955	-0.3929754	0.7659662	0.21366811	0.4836203	-0.24394792	-0.40475446	-0.6304715	-0.3152257	-0.098947726	-0.46185055	0.4357412	-0.08227767	-0.12434338	0.13440019	-0.24836938	-0.7091433	0.11497177	0.52340394	-0.64628494	0.16443522	0.018750617	0.7639988	0.19431643	0.39075994	-0.7133686	-0.051092513	0.23799938	0.99924856	0.85503286	-0.07138146	-0.045300387	0.037042405	-0.37476072	-0.6304641	-0.763958	-0.359248	0.1342278	-0.06893216	0.4663173	-0.30353144
458	0	CCCCCCCCC(=O)O	-0.75449115	-0.003276031	-0.81603885	0.3601221	-0.17082103	0.23518346	-0.13823362	-0.23285605	0.40357322	0.2140231	-0.5149966	-0.11169489	-0.006566479	-0.7073776	0.5990887	0.5483001	0.52369684	-0.22590017	0.19015251	-0.23463883	0.51165295	-0.8380286	-0.035385076	0.011996699	0.5198684	0.028736128	-0.08052723	-0.46824166	0.08203025	-0.1399069	0.014303737	0.86806375	0.5911415	-0.39764798	0.4775459	-0.7309272	0.035782013	0.7637659	-0.75284165	-0.8144063	-0.9956079	-0.5306653	-0.032112304	-0.16233261	0.033831485	-0.9949535	0.084938884	-0.010104282	0.9724534	-0.25280166	0.71929854	0.5719971	0.049427986	0.042451352	-0.9294298	0.011748413	0.89766467	0.9814108	0.294075	0.000747653	-0.36580575	-0.27879077	0.077836975	0.43069035	0.6212085	0.3271548	-0.13604699	0.29834843	0.5297816	-0.46185085	0.74527514	-0.95185214	0.11069847	0.8542549	0.26690176	0.75602806	-0.35642105	0.18841667	0.24596131	-0.9998887	-0.41253006	0.15856552	-0.45623243	-0.4447255	0.6182031	0.2872424	0.013230819	0.58303994	0.050878946	-0.6943174	-0.21760423	0.17766713	0.2153573	-0.12678683	0.9456069	-0.5085966	0.22015047	0.069092035	0.3882988	-0.5742579	0.46379945	-0.12781376	0.2637623	-0.24218966	0.98257864	0.5010771	0.49713182	0.2530774	-0.80038387	0.51419914	0.15931821	-0.28161064	0.50880736	-0.12447478	-0.25736934	0.33231562	0.016014315	0.2662913	0.99695563	0.542596	0.2755382	0.28811246	-0.41375387	0.1267966	-0.50503033	0.32058585	-0.1056974	0.45915452	0.23842376	0.99982417	0.23563279	0.418385	-0.038587607	0.22251163	-0.20643578	-0.3959409	-0.36023575	-0.10880088	-0.13268058	0.33745182	0.99964654	-0.11877726	0.9787038	0.4533064	-0.5616526	0.43165734	0.6159419	-0.025386916	0.99684894	0.57173765	-0.393624	-0.774854	0.41156298	0.6010624	-0.28142667	0.024673397	0.00041919	0.99897397	0.005485464	-0.8488232	-0.98418057	-0.4617797	0.25635883	0.026697379	-0.005110465	-0.33684006	-0.40435466	-0.1456212	-0.37579978	0.1556427	-0.4516466	0.06884389	0.1256422	-0.13503933	0.731111	-0.98558176	-0.4534184	-0.03140723	-0.47144002	-0.021090351	-0.09777826	-0.7852034	0.3479226	0.35735407	-0.96639025	-0.18181723	-0.3171814	0.37957335	-0.33459193	0.62900186	-0.58475524	0.6755963	0.16832472	0.56011254	0.048307367	-0.001930275	0.47766712	-0.4738584	0.1042705	0.35579437	0.11791218	-0.5114879	-0.18526512	0.19206946	0.371102	0.31759036	-0.108558685	-0.39441997	-0.29967093	-0.70245135	-0.2000253	0.09077685	0.017614251	-0.66888076	0.13003314	-0.207242	-0.37921697	0.19664821	0.3152204	0.004712285	-0.31750482	-0.089982636	-0.35739914	0.0742974	0.99308115	0.4168334	0.004484025	-0.31179836	-0.07300867	-0.42761207	0.055684824	-0.22606185	0.49408916	-0.21301548	0.1464858	-0.4832415	-0.30137378	-0.4529468	0.20464239	-0.21786575	0.86337924	-0.19064642	-0.46715066	-0.27161303	-0.70001364	-0.3212448	-0.1771132	0.1979053	-0.37093642	0.13686971	0.46269056	-0.999755	-0.3907243	0.2381279	-0.11338344	0.23554724	-0.29165235	0.06815074	0.2889479	-0.52701646	-0.468334	0.71184087	-0.28485733	-0.5748805	0.18587974	0.44296685	0.51274395	-0.3301192	0.62797904	-0.43516165	-0.40209484	-0.96969867	-0.14552842	-0.2497655	0.11376797	0.10103025	0.27627632	-0.5170087	-0.093373895	0.7938941	-0.42267203	0.99893177	-0.4062205	0.805139	-0.27213472	0.47260776	-0.255507	-0.1882842	0.24495398	0.36432794	-0.42264205	0.99906343	-0.122723766	0.3170817	0.10154168	0.70250845	-0.9949468	-0.97419965	-0.6001885	0.29719105	0.10356517	-0.3221433	-0.035867494	0.45285475	-0.30395988	-0.76905626	0.997698	0.43364513	-0.14041838	0.19386618	-0.3977887	0.3004341	0.016220914	-0.086408794	0.3908814	0.3649585	-0.08741235	-0.37217936	-0.981542	-0.7021052	-0.39235547	0.65440357	0.070537634	-0.83591706	-0.17891161	-0.51285887	0.31801358	-0.9805732	0.14402585	0.3208936	0.47173098	0.18609196	0.48485884	-0.5817546	0.26071844	0.6618143	0.06711343	-0.017388603	0.46614763	-0.07121227	0.42792857	0.46735373	0.006610978	0.7854414	-0.20033135	0.25879017	0.045184225	0.25403544	0.41063637	0.9648401	-0.99608177	0.24428888	-0.41596696	-0.127214	-0.017762614	-0.08662096	-0.11356821	0.99188006	-0.6306123	-0.17935662	-0.013187446	-0.18628715	0.22157997	-0.20161231	-0.32845926	0.30255952	-0.53338593	-0.8307392	-0.53987473	-0.14930063	-0.1484784	-0.6716874	-0.8212259	0.9486541	0.15769382	1	-0.47318083	0.2765128	0.10962168	-0.35659266	-0.8540503	-0.36763692	0.85160613	0.02272752	0.29323664	-0.35149887	0.09041464	0.062472604	-0.29811615	-0.04152152	-0.2921752	-0.40139893	-0.30320692	-0.3126287	-0.4050613	-0.82540196	0.72352624	0.047595035	-0.38722548	0.5074224	-0.8659794	0.015750866	-0.3867421	-0.29433045	-0.2002965	-0.45679316	-0.37484774	-0.08572372	-0.45108876	0.0574164	0.58772564	-0.47018796	-0.29256916	-0.32187206	0.4205509	-0.3234393	0.9999518	0.39978048	-0.86539656	-0.008647122	0.99720454	-0.02598954	-0.45655295	-0.9985226	-0.3916524	-0.02908402	-0.5382417	0.3927336	0.007150579	0.37921378	0.4582892	-0.36886886	0.10215901	-0.36502898	-0.32950866	-0.18322888	-0.04189244	-0.12474153	-0.99966943	-1	-0.99084413	0.17962627	-0.053508565	0.34352538	0.37665007	-0.41691265	0.71400744	-0.24613762	0.39414752	-0.022086168	-0.127051	-0.18870305	-0.07739515	0.1958044	0.17568487	-0.33361128	0.22009224	-0.9901582	-0.9994774	-0.6235102	-0.6222604	0.5753915	0.40791756	-0.20520811	-0.97707295	-0.34400392	-0.3677388	-0.25837782	-0.2896974	0.08608655	0.49226275	-0.90498847	0.27262032	0.22442001	0.27964157	-0.2606318	0.11394735	-0.8463359	0.6032731	-0.360796	-0.25011504	0.56670344	-0.48483583	0.6892424	0.27777264	0.23017028	-0.36880997	0.096923865	0.12409319	-0.75541	-0.16057031	0.0919513	-0.16458388	-0.9461232	-0.043259956	-0.62647265	0.1774871	0.04418604	0.30177972	0.9999357	0.44476792	0.033600274	0.50436413	0.29696137	0.022426644	0.008882195	0.6825012	-0.31998235	0.0586761	-0.27769077	0.88177115	-0.029903278
459	0	CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl	-0.12092587	0.18451597	0.2573698	0.14321667	-0.38112146	-0.65716124	0.10354253	0.367623	-0.44101346	-0.48408982	-0.09841206	0.21839215	-0.4761296	0.4595412	0.60008025	-0.27427134	0.043804944	-0.6310914	-0.2959445	-0.71571255	-0.3032799	0.042148575	0.2755245	-0.18829578	0.061793208	0.58140504	0.32789642	0.6229963	0.041362602	-0.33379754	-0.37386012	0.08879691	-0.004373199	-0.08493357	-0.1630885	-0.06799994	0.03892462	0.12894854	0.9939055	-0.61781347	-0.92318314	0.1573459	-0.36519763	-0.26984742	-0.57239914	-0.9030969	0.09169542	0.14826696	0.023171851	0.5292822	-0.14908761	0.41475067	0.54206973	-0.49230972	-0.4937159	-0.027348451	-0.62160885	-0.08007369	-0.51880175	-0.09189601	-0.6566096	0.37819144	0.8505976	0.32573166	0.75225645	-0.21870431	-0.21187478	0.1932226	0.46639	-0.5275853	-0.9194718	-0.97888845	0.28163913	-0.8416503	0.63634115	-0.033217937	0.04394719	0.3957687	-0.07886652	-0.9975314	-0.11440026	0.04085922	-0.9346611	0.2019732	-0.43511385	-0.5976645	-0.07667401	0.12125228	-0.39556494	0.5382243	-0.47173512	-0.09618751	0.012029912	0.5939974	0.98759043	-0.79218864	0.24627557	0.025646951	0.30773723	-0.007381149	0.5900285	-0.268376	-0.25130013	0.5652823	-0.9038089	-0.8638149	-0.17616038	0.12381837	-0.8138995	0.054232337	-0.51325935	-0.048882537	-0.4772069	-0.11103294	-0.6288458	0.44152117	-0.050622106	-0.16637051	0.99821186	-0.6364351	0.56805176	0.14477864	-0.07897864	-0.37778842	-0.10741884	0.38429326	0.17624363	-0.38042963	-0.61540586	0.9986601	-0.54871964	0.07693089	0.7657453	-0.40854225	0.010639733	-0.98147684	0.7345963	0.73616034	-0.73281604	-0.28308123	-0.99993694	0.37121436	0.95013523	-0.25810352	0.46573055	0.54008514	0.2460256	-0.5801497	0.17906748	-0.3349167	-0.39209393	-0.30464736	-0.7475518	-0.44570142	0.059460957	0.48922938	-0.6118648	0.91604143	-0.5007532	0.32323194	-0.95705646	-0.12690745	-0.22658737	-0.38347906	0.49150476	0.5247978	-0.18882394	0.074503444	0.32506925	-0.3013958	-0.5042037	0.12655139	0.14977102	0.5830202	-0.006887646	0.36678162	-0.68479306	0.5155686	-0.31271508	-0.39819446	-0.23454054	-0.7308635	-0.767798	-0.67459357	-0.39326963	-0.26014146	0.41379857	0.05470271	0.3187714	-0.43020815	0.46295574	0.72319794	0.5763371	-0.2617653	0.21782804	0.4789328	0.33643392	-0.81482226	0.4039903	-0.117728405	-0.2996254	-0.12296165	-0.2842457	0.18479681	-0.50323135	-0.14419767	0.5420702	-0.2246269	-0.40521145	-0.9993445	-0.71981984	-0.4676876	-0.026156634	0.3704237	-0.61167264	0.5827668	-0.18282689	-0.012567922	-0.25220734	0.471028	-0.33123985	-0.12596528	0.71336293	-0.52158546	-0.9732505	-0.02065913	-0.19294456	0.17127545	-0.14748742	0.22916533	-0.8145799	-0.29214177	0.3999466	0.0963026	-0.12226927	-0.027893024	-0.6365201	0.4048598	0.12115692	0.041657664	0.9171501	0.46882212	-0.43448165	-0.6024186	0.30149013	-0.08717276	-0.43555942	-0.3936074	0.3070893	-0.5219565	-0.61331695	-0.9676891	-0.13249609	-0.3359443	0.082073316	-0.074112795	0.16979206	-0.2181192	-0.04377741	-0.36427805	0.10351442	-0.6957504	-0.5149887	0.36648357	0.44706887	-0.33204603	-0.037074823	-0.21855038	-0.61733824	-0.21831703	-0.348701	0.98619246	0.40177152	-0.2952262	-0.60113835	-0.4667246	0.37554654	0.4158769	-0.5221147	-0.2791932	0.32037497	0.9994429	0.43027505	-0.39733323	0.50204915	0.15208487	-0.29615387	0.4845761	-0.05367271	-0.029602531	-0.14834525	0.99231076	0.56900716	0.7465668	0.050979868	-0.11028088	0.9999721	-0.9669682	-0.6690927	0.17522317	-0.3185363	0.10556733	-0.59326625	0.29440364	0.84069735	0.45687327	-0.09202622	0.24542059	0.25430548	-0.13808765	0.38392088	-0.14125182	0.44189152	-0.25550345	0.3448035	-0.33306193	-0.06701191	0.058143795	-0.98609555	0.09687923	0.6079332	0.095025666	0.701178	-0.286541	-0.21841542	0.085176826	0.027425079	-0.8175825	-0.33759278	-0.13598317	-0.41526365	-0.7683602	0.013933996	-0.39360082	0.26583898	-0.21275833	-0.57813215	0.3786074	0.14896916	0.59084886	0.12087577	0.14163785	-0.24327159	-0.096855186	0.10494	0.53739995	0.35514674	0.40758872	-0.04915342	-0.075617515	-0.98212516	0.07529117	0.1882101	0.3918546	0.33391312	-0.2782176	0.66353106	0.99986386	-0.5419898	-0.12143757	-0.22286162	-0.57234836	0.3906222	0.22345144	-0.74011457	0.06839845	0.6973331	0.05253425	0.25533113	-0.047760386	-0.06487419	0.15832819	0.6776986	-0.14116088	-0.34113383	0.99446416	-0.6225768	0.20295489	-0.52455485	0.51280373	-0.5295629	-0.30589184	-0.1329279	-0.4574199	-0.56674165	-0.13567747	-0.40216914	0.5441672	0.020198397	0.7611793	-0.3881807	-0.49923897	0.22755419	0.4047283	0.15595001	-0.24188757	0.41595677	-0.49137512	0.7430303	0.40063122	-0.109733455	-0.6066138	0.44528437	-0.08243949	0.4480344	-0.5853158	-0.7331525	-0.63272953	0.15857415	-0.19499534	0.5050724	0.7615931	-0.14850262	0.44335207	0.48069897	-0.017239833	0.9999766	0.102270514	-0.98573995	-0.19512828	0.999851	-0.06936465	-0.17122617	-0.99816644	-0.07556063	0.23364876	0.7108652	0.062015004	0.09791224	0.4180052	-0.3812349	-0.02424505	0.2583493	-0.5782605	0.37883514	-0.5026899	0.34618342	0.31491694	-0.99999547	0.99807817	-0.91106904	-0.4389971	-0.4200261	-0.39778116	-0.6176558	-0.32234	-0.8199227	0.11346957	-0.45654616	0.55521524	-0.5596342	-0.15022193	-0.23531999	-0.06318806	0.5493107	-0.6618691	0.03510222	-0.37181807	-0.9999582	-0.16425326	0.4824523	-0.05983707	-0.35320485	-0.17309694	-0.88001984	-0.2551702	-0.07119093	0.44099045	-0.11703263	0.017785612	0.13373688	0.96165925	0.79270256	0.9214775	-0.24961482	0.16537379	-0.47293213	0.1309179	0.6228764	-0.006514634	0.03698604	-0.33893466	0.23509198	0.3596931	0.26810476	-0.003171519	-0.17305894	0.2893904	-0.3222774	0.76001126	0.25041747	0.7973298	-0.287577	0.92483383	-0.1616765	0.53110325	0.041126937	0.045038015	0.4245585	0.99975735	0.7834544	0.47073585	-0.3334031	0.11812659	-0.56594324	0.43207857	-0.9678806	-0.46314132	0.084475175	0.38916492	0.31496704	0.047054034
460	0	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1	0.20150834	0.25301933	-0.7144334	0.068303406	0.69257575	-0.42428452	-0.7189594	0.22169791	0.09020238	-0.22610159	0.4573441	0.060282998	0.42033085	0.7746662	0.086248845	-0.95903295	-0.6631608	0.5082798	0.5461552	-0.50189483	-0.33443335	0.1726834	0.53621197	0.09515181	-0.3144021	0.30814114	0.63088703	-0.07099032	0.7823388	0.3589504	-0.5453498	0.6775231	0.28772184	-0.4955734	0.22738466	0.7287556	0.20286164	0.7614572	0.9997403	0.032844976	0.48590785	0.16170157	-0.15713638	0.2122844	0.17004345	0.90370464	0.5921949	-0.28756988	0.47922447	-0.27445528	0.2700533	-0.27420855	-0.3157739	-0.55443794	0.07923515	-0.14109822	-0.5620176	-0.96213305	-0.6924132	0.15794396	0.2614153	-0.44248337	0.52979344	-0.3710739	0.34587234	0.69551355	-0.4185131	-0.2396611	0.48858812	-0.512565	-0.9457357	-0.3557746	-0.2802006	-0.4761479	0.39203656	-0.44107118	0.35603866	-0.10628102	-0.5339674	-0.99731463	-0.26179913	0.2991537	-0.90350723	-0.1920386	0.3630939	-0.945525	-0.03049187	0.46486467	0.122754775	0.055420317	-0.5295936	-0.086308815	0.62167543	0.6043811	0.9988057	-0.16653024	0.20252049	-0.5717037	0.19017991	-0.27601302	-0.3577307	0.15560421	0.17354369	0.9742972	-0.9998592	-0.59915394	-0.5188786	0.17267247	-0.99896204	0.08754119	-0.14031807	-0.68354785	-0.6418916	0.00248263	0.27131745	0.71991104	0.72968596	0.8262411	0.6181421	0.2848399	0.7844585	0.4616087	-0.60083145	-0.09474995	-0.4009535	-0.16884167	-0.7253193	-0.73453766	-0.3142204	0.99983203	0.027675174	-0.6795316	0.79156065	0.5686499	-0.2012344	-0.97061247	0.16564283	0.51236725	-0.20793314	0.5324341	-0.9999971	0.40075034	0.08884436	-0.24412897	-0.10989564	0.16274269	0.65131664	0.5906375	-0.9994059	-0.26907143	-0.77173513	0.85876423	0.29426324	-0.59572786	-0.5033697	-0.44356695	-0.117763296	-0.98613566	-0.82453084	0.8622275	0.6441928	-0.45071223	-0.84686095	0.28058043	-0.001516795	-0.306565	0.22038259	-0.105345406	-0.15577348	0.8147852	-0.03776169	-0.15667714	0.65139705	0.8644472	-0.12580876	-0.83130956	-0.4833555	0.039805934	0.20105518	-0.20366019	0.25827265	-0.6158932	-0.66203606	-0.2719709	0.8931333	-0.37537742	0.5803332	0.44654837	-0.048172537	-0.6341768	-0.5506	0.70574653	0.3965127	-0.27026218	-0.016118884	-0.14734165	0.5062386	-0.89112836	0.118922174	-0.42319658	0.1359207	-0.3514133	-0.5645034	0.3710431	0.15357465	-0.6673696	0.50650716	0.029716356	0.42218494	-0.99987936	-0.43778756	0.6081404	0.4186238	-0.25625426	-0.885923	0.6338187	-0.5728654	-0.12240416	-0.4688403	0.57629883	0.3715818	0.585225	-0.34836507	-0.0958359	-0.87611854	-0.08432342	0.70455134	0.22454238	-0.031734377	0.19196774	-0.72608185	0.003989924	-0.6017292	-0.45581886	-0.22564754	0.6057933	0.03426105	0.09716285	0.3957512	0.61480206	0.75691414	0.41583237	-0.15654446	-0.4288262	-0.25698668	0.08730611	0.9209236	0.159881	0.2771503	0.05942612	0.81450593	-0.9774821	-0.14526775	0.74398315	-0.5005494	0.241871	-0.5076251	0.6256379	0.48496822	-0.084633455	-0.11002477	0.3491451	0.39524254	-0.02521479	0.87914383	-0.34589127	0.36556166	0.723214	0.909119	0.077172466	-0.7658222	0.9997103	0.8285264	-0.28738064	0.69753414	0.78060293	0.49457553	0.55995333	0.49879	-0.81318295	-0.37506542	0.8533755	-0.7655935	0.5086262	-0.3126851	0.031858623	-0.6141707	0.48878714	-0.99821573	-0.54661757	-0.5750284	-0.6776197	-0.26853734	-0.45505857	0.21368387	-0.17374656	0.99998796	-0.9898803	0.13603331	0.21587639	0.6255376	-0.7284405	-0.3591976	0.65435773	-0.23330696	0.32049552	-0.9991442	0.5444403	0.8721	0.4246773	0.6449454	-0.5209802	-0.29163292	-0.08806355	0.72449005	0.46732807	-0.14859062	0.30594268	0.958678	0.3385895	0.7032039	0.1722539	-0.18638833	-0.5779045	-0.22608334	0.58862203	0.4764241	-0.910514	-0.4106324	-0.78647286	-0.9023722	-0.33405665	-0.35866183	0.34416118	-0.14069062	0.82257766	0.6216332	-0.6071961	-0.06997424	0.18152039	-0.5173888	0.4724908	-0.59853107	-0.5566281	0.021043725	-0.5556817	0.13587904	0.20605063	-0.3913292	-0.98967284	0.13240035	-0.05867854	0.5115747	0.51632774	-0.4186044	0.45046616	-0.16583318	0.99989665	0.055263937	-0.287161	-0.65837854	0.6909057	0.73206824	0.20662466	-0.9113689	0.022520201	0.07871982	-0.07758121	-0.13651322	0.5539831	0.1684687	-0.04030757	0.012822726	-0.51796013	-0.0922591	0.96707785	-0.032192808	0.097275004	-0.16321065	-0.67442006	0.014118037	-0.24813265	-0.7331157	0.27723214	0.5094353	0.32702258	0.24912544	0.24804555	0.15303138	0.4685028	-0.5583911	0.5096671	-0.03473457	0.33229262	0.38758242	-0.8715406	0.2680494	-0.018097982	-0.7104922	-0.81577075	0.95502615	-0.31280708	-0.29953894	-0.31959414	0.29926172	-0.5322336	0.56019086	-0.53122085	0.71853286	-0.22809014	0.024169626	-0.17289838	0.34901282	-0.2028015	0.7305447	0.4008254	0.9055592	0.061618958	-0.9717611	0.006977348	0.9990837	-0.8055163	0.5993593	-0.9819786	0.10561872	-0.92980814	-0.17347436	-0.132615	0.6634703	0.038161777	-0.31542683	-0.84392524	0.8646397	0.28254324	-0.18166418	0.14149688	-0.28434324	0.18117008	-0.99987584	0.99353284	0.8586101	0.29986173	-0.094905116	-0.54588026	-0.638067	-0.642973	-0.5998044	-0.38732484	-0.4604821	0.65634507	-0.83159965	-0.104582995	-0.19222078	0.35682136	0.4239834	0.26158792	-0.30814925	0.98694515	-0.9956819	0.13530505	0.494896	0.18955389	-0.8099313	0.22968404	-0.68599993	0.15135111	0.66139925	-0.13068177	-0.17407992	-0.09762291	-0.18021682	0.9346556	0.31966978	0.57199454	-0.5111098	-0.34672236	0.14352563	-0.23477694	-0.28526628	-0.24457501	-0.43448254	-0.4711191	-0.99580073	-0.3308283	0.28722903	-0.39543155	-0.5011232	0.049982868	-0.21651874	0.7329418	-0.86774933	0.56328833	-0.084841974	0.9995232	-0.6428819	-0.31794456	-0.5864819	0.11622688	-0.017792888	0.99987173	0.6160811	-0.03517661	0.56639594	-0.28047338	-0.6853149	0.86412233	-0.9989639	0.45815417	-0.19348998	0.56656885	-0.034074068	-0.15796484
461	0	CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1	0.2628096	0.1808503	-0.44405153	0.30274546	0.09490778	0.005502313	-0.40407106	-0.54193896	0.7521692	0.16524674	-0.4178285	-0.28548947	0.07461949	-0.8693253	0.31585872	0.5668475	0.78844726	-0.31206566	0.3470583	-0.04641155	0.25571272	-0.47412103	0.32850835	0.46270138	-0.10806301	0.61529475	0.2622781	-0.47123003	0.3570228	-0.37313592	-0.02214709	-0.15328425	0.04015238	-0.4925772	0.2759936	-0.34872368	-0.017494677	0.61896265	0.9975236	-0.76276803	-0.88530666	-0.18075193	0.11478818	-0.19672547	-0.42083052	-0.52534175	-0.25052467	-0.48579568	0.9766409	0.100729674	0.84437	0.3952681	0.24696763	0.07047902	-0.68956554	0.13110621	0.736598	0.07501969	0.6866474	-0.27532703	0.028562887	-0.4602087	0.17359936	0.25277513	-0.11228653	0.023379823	-0.20201996	0.3036088	0.48518178	0.17580348	0.000828858	0.0786218	0.1512675	-0.568776	0.8313489	0.3149567	-0.46301848	0.6954971	0.042242784	-0.9960756	-0.47285095	-0.11439499	-0.85356754	-0.12541533	-0.14900225	-0.9794421	-0.5796774	0.169603	-0.58528745	-0.30405992	0.14065218	-0.55507404	0.23214725	-0.019271238	0.9820556	-0.516001	0.8748264	0.16882856	-0.60176	-0.62953675	-0.08394288	0.42355958	0.16277279	0.9819369	-0.98520005	-0.5181699	0.5037673	0.14687352	-0.9371769	0.68972725	0.46961835	-0.001132831	0.34296486	-0.34471005	-0.5620464	0.2800671	0.50205755	-0.24612325	0.9783426	0.42479172	0.47093055	0.24990937	-0.21864703	0.019733824	-0.6682471	0.23275441	0.22430404	0.092130825	0.13860619	0.99998355	0.43426237	0.5351168	-0.052917633	-0.31951508	-0.41690114	-0.63204134	0.1789676	0.35041484	-0.4213716	-0.40927503	-0.99997777	0.049115483	0.90404826	0.37218642	-0.32070252	0.3319894	0.13423884	0.055446293	-0.8211118	-0.31908572	-0.11122643	-0.91911083	0.68179804	0.03192738	-0.041732796	0.67066383	0.6296079	0.30977702	-0.6734258	-0.83119833	-0.82956624	0.14901447	0.5576277	0.29823905	0.28960192	-0.1954067	-0.7377889	-0.4469402	0.044485144	-0.032170497	0.43070552	0.01803863	0.4097521	0.106177054	0.24243233	-0.93857306	-0.5273525	0.55339485	-0.43799284	0.014596896	0.002915711	-0.2974634	-0.49144995	0.6886563	-0.2877238	-0.28589022	-0.10514376	0.18939582	-0.54921037	0.67458415	-0.5862918	0.30677184	-0.07543827	0.4953923	-0.3511654	0.22855906	-0.15267181	-0.58904636	0.7056603	0.35329765	-0.17622793	-0.7214103	0.3026542	0.34302834	0.18134797	-0.72757214	0.63470244	-0.6833561	-0.3577327	-0.99976146	-0.3392509	0.1007999	-0.086693324	-0.6470918	0.42723736	-0.5635563	0.25081727	0.4426828	0.22132903	0.41499078	-0.5154393	0.01477924	-0.5954559	-0.50823694	0.9984949	0.49445263	0.39820904	-0.11387583	0.22188804	0.12579538	-0.644632	0.53820187	0.7553466	0.32682064	0.16705362	0.21946464	0.21844855	-0.23985802	0.37437496	0.6451401	0.87277406	-0.28850818	-0.24175169	-0.36926672	-0.01102391	-0.47353873	-0.18374252	0.16139276	0.14218187	0.011618997	-0.14144608	-0.95880425	0.14232692	0.7240231	-0.37938276	-0.45730034	0.24449007	0.02391009	0.53719133	-0.34968033	-0.15363413	0.018626686	-0.54230636	-0.52298516	0.19680303	0.099556416	0.5417481	-0.7264466	0.29985553	-0.23071097	-0.0856356	0.9474522	0.016710466	-0.33918002	-0.7962299	-0.50891256	0.06975682	0.19648275	0.1414101	0.56782883	-0.30351073	0.9979689	-0.36518347	0.24354535	-0.54961306	-0.024315072	0.48072717	0.691646	-0.108998284	0.216914	-0.43202195	0.92863977	-0.62914973	0.22072129	-0.3449926	0.40378	0.99998736	-0.9985617	-0.36892244	0.05593088	-0.3254212	-0.23597841	-0.67757154	0.2697406	-0.47173595	-0.9625592	-0.93134785	0.40929404	0.8414393	-0.032634705	-0.29376534	0.15838024	-0.12968026	0.1852901	0.71658725	-0.24889068	-0.028354293	-0.36421895	-0.9551335	-0.47192213	-0.31190705	0.13830382	0.14373256	-0.9415085	-0.5128161	-0.8090584	0.5634643	-0.93533236	0.74020237	0.4133053	0.12513685	-0.39178187	0.31063533	-0.27717957	0.37017876	0.93781585	0.3082561	-0.11325227	0.8089696	-0.011546931	-0.42957628	0.49652445	0.12461581	0.6026396	0.031476203	-0.0283736	-0.13243845	0.33107576	-0.04901361	-0.67596835	-0.96446264	0.3944246	-0.6625151	-0.02699514	0.20426282	0.05542487	0.59334433	0.99978137	-0.017028403	0.5376481	0.3202937	0.15987033	0.25273746	-0.5658306	-0.9332136	0.3332001	-0.7716556	-0.865887	0.081839785	-0.16958608	-0.55242187	-0.5594406	-0.51680166	0.13437223	-0.29943123	0.9895417	-0.14685205	0.20429105	-0.6863078	-0.24079715	0.06688516	-0.33695734	0.29606852	-0.5510383	0.34281564	-0.2959819	-0.015641565	0.5852554	0.051116418	0.42568415	0.53121924	-0.76653475	-0.17586917	0.117130846	0.6108565	-0.7022941	0.12478978	-0.7477995	-0.7669026	-0.5126154	-0.08463313	0.3948139	-0.17896909	-0.12339722	0.012123569	-0.6533144	-0.6404096	-0.49355304	0.18969515	0.19514646	-0.05972104	-0.12175808	-0.31568217	-0.62120134	-0.033794384	-0.32094437	0.9999588	0.34833565	-0.9289593	-0.29766178	0.99897385	-0.31237036	-0.6672729	-0.99921954	0.03603794	-0.8157593	0.28110427	0.5681843	0.49693552	0.63099796	0.42096284	-0.9197716	-0.015039926	0.02741058	-0.40076885	-0.16973098	0.4414725	-0.41127124	-0.99996483	0.9964219	-0.041975528	0.68503106	-0.0561159	0.28526628	-0.12438747	-0.6788591	0.7676425	0.1677866	-0.6559954	0.3379749	-0.86005867	-0.17883298	-0.13032003	0.13720962	0.52083874	-0.1331133	-0.17572603	0.6185929	-0.9997356	-0.13079669	-0.45886326	0.1129827	0.2345718	0.0456253	-0.9797331	0.47232515	-0.6381698	-0.5814159	-0.720419	-0.10316961	0.6445717	0.9610328	0.070172675	-0.8470438	0.74269706	0.48544684	-0.839298	-0.4850686	-0.002848433	-0.5868528	-0.38633367	-0.6586848	-0.8266589	0.4823333	0.48484612	-0.24715702	0.074677706	-0.19940461	0.34320128	0.059467312	-0.6673717	-0.5834799	-0.5069032	0.9945676	0.40893027	-0.22291422	0.36829898	0.011826941	0.5526465	0.9999894	0.80158025	0.49946976	0.24025047	0.6131356	-0.35772675	-0.70626545	-0.9925137	-0.43968055	0.40506184	-0.14333743	0.3712011	-0.09169406
462	0	CCCCCCCC(=O)O	-0.74931026	-0.003835193	-0.8027752	0.31918478	-0.19678935	0.11401436	-0.31858706	-0.38805014	0.23911843	0.16279888	-0.46802396	-0.083068974	-0.05994237	-0.7634284	0.68431455	0.44208243	0.52795035	-0.17049605	0.3003627	-0.29661286	0.6087767	-0.84860504	-0.16201374	-0.003768996	0.20589724	-0.14113188	0.12281998	-0.3558866	-0.02776573	-0.18222857	0.19755611	0.8670939	0.51539165	-0.3124592	0.55336434	-0.81335706	0.056497145	0.70482403	-0.86909646	-0.8003256	-0.9959996	-0.5762316	0.06676321	-0.10050637	0.11323868	-0.9952952	0.15816936	0.07070245	0.96950406	-0.07420122	0.7244298	0.4785847	0.18469977	0.30462456	-0.9223272	-0.19734606	0.90320385	0.9819925	0.35348997	0.108583406	-0.4553836	-0.42856535	0.13286169	0.3603221	0.58442765	0.2739187	-0.028480584	0.3503267	0.39967826	-0.31784984	0.7730044	-0.97445494	0.091803834	0.85285836	0.26308987	0.69705456	-0.41203338	0.13365391	0.2203683	-0.999881	-0.504002	0.071272485	-0.51743716	-0.5096546	0.65200055	0.54016817	0.39112577	0.7020361	0.17127068	-0.7535989	-0.07178893	0.13354115	0.321665	-0.015534401	0.9246202	-0.5174546	0.0527283	-0.09308041	0.53655213	-0.62505436	0.46670783	-0.23921989	0.45522648	-0.45848605	0.9890707	0.48931083	0.48258516	-0.015229559	-0.82877237	0.53461254	0.27435696	-0.23308313	0.4626942	-0.19264485	-0.22775777	0.5287098	0.12352786	0.17022999	0.9965694	0.4867969	0.25032628	0.121811785	-0.36195225	-0.123330675	-0.4452174	0.312194	-0.0774999	0.099776246	0.32888302	0.9996906	0.2579494	0.33033368	0.07030974	0.40230623	-0.41350845	-0.2514578	-0.2595352	-0.005134872	-0.3037641	0.3997043	0.99967104	-0.16730972	0.9779539	0.29238635	-0.48911566	0.3925873	0.46218827	0.019706074	0.997611	0.5309334	-0.13645013	-0.73798233	0.3516219	0.4281982	0.052976124	0.11524313	0.040405363	0.99898094	0.035519727	-0.86159694	-0.98545355	-0.1358643	0.18720768	0.020841999	-0.011531176	-0.39768997	-0.2634549	-0.20259714	-0.43827346	-0.074669145	-0.5034857	0.098515	0.061429743	-0.26433736	0.7408282	-0.98301196	-0.40142116	0.087286755	-0.5325815	0.009423404	-0.11972524	-0.79684037	0.39974454	0.14761086	-0.96465886	-0.18954583	-0.47633123	0.38603196	-0.42540208	0.54959726	-0.44005963	0.54919124	0.3356737	0.4979644	0.113508806	-0.13100448	0.39956617	-0.50586855	-0.056326684	-0.030287806	-0.3291873	-0.48890108	-0.17872249	0.35106808	0.2761691	0.1807098	-0.26387405	-0.2862191	-0.24086711	-0.22486787	-0.48156056	0.14805587	-0.23781933	-0.7147323	0.06975071	-0.031006467	-0.45495233	0.36938462	0.5262071	0.14742807	-0.4558772	-0.03530141	-0.20885983	-0.35143068	0.9945971	0.45272943	0.104675494	-0.22741728	-0.2931891	-0.5541804	0.045684204	-0.35506988	0.5793368	-0.058069	-0.06524776	-0.434189	-0.19016205	-0.32791024	0.26080093	-0.30398458	0.8540409	-0.26579735	-0.45634952	-0.3494931	-0.5797382	-0.13779667	-0.1670196	0.37051365	-0.45316526	-0.043389346	0.40416077	-0.99970555	-0.5154689	0.070127204	-0.37193534	0.2234358	-0.14331996	0.03904557	0.11526668	-0.39970338	-0.43351242	0.6575148	-0.16375792	-0.63600546	0.08438967	0.3741068	0.5445755	-0.24419707	0.54210705	-0.11333569	-0.34508765	-0.9788821	-0.001097667	-0.27864704	-0.058158733	0.23515454	-0.030432746	-0.5144658	-0.14134169	0.8185688	-0.58646727	0.9986008	-0.2985376	0.6987121	-0.031616893	0.4000762	-0.32875776	-0.340646	0.15994991	0.36471105	-0.49071708	0.99887407	-0.16301411	0.41619495	-0.0521854	0.66990376	-0.99562967	-0.94591767	-0.35580772	0.12530123	-0.13331905	-0.066089906	0.04343412	0.33282837	-0.10154269	-0.6663517	0.9987075	0.48150986	-0.14874771	0.10645415	-0.017926034	0.3928254	0.014297196	-0.095624484	0.3757502	0.23135336	-0.1517214	-0.19306362	-0.97446525	-0.67934763	-0.5595563	0.59585774	-0.13542783	-0.8293709	-0.2738596	-0.59177047	0.41942453	-0.97745055	0.0886309	0.3611585	0.281162	0.08271534	0.43343896	-0.27670255	0.34630692	0.48540488	0.07547264	0.062140394	0.42973292	-0.14572	0.41795576	0.3579834	0.20128308	0.78512865	0.09946283	0.34042507	0.18241085	0.010459525	0.19153303	0.9671041	-0.9950764	0.13072662	-0.5448404	-0.17438269	-0.011059893	-0.19854526	0.11268348	0.9749852	-0.6817224	-0.23055567	-0.08014242	-0.030492023	0.22401735	-0.038433116	-0.26781073	0.41220582	-0.38154367	-0.8065667	-0.52786803	0.037964467	-0.1335228	-0.7315241	-0.7805329	0.96428597	0.24238162	1	-0.28824797	0.42044553	0.10533406	-0.34750587	-0.8705984	-0.30736133	0.80870366	-0.17960781	0.37419337	-0.41227368	0.07757846	0.32715437	-0.2480812	0.005881826	-0.11757531	-0.47888938	-0.4180529	-0.3509622	-0.31301332	-0.7026911	0.6307068	0.1259618	-0.30760664	0.6108037	-0.8670465	0.13618445	-0.32484645	-0.22387043	-0.1803468	-0.3695487	-0.38895255	0.055461787	-0.46367663	-0.007503308	0.5971788	-0.501844	-0.32102984	-0.2877285	0.22829473	-0.25097808	0.99991864	0.24636374	-0.8502698	-0.28573793	0.9942146	0.005490053	-0.47074035	-0.99809426	-0.3437799	0.11264624	-0.46436378	0.19286165	0.000775989	0.33595017	0.28742644	-0.07594335	0.018034356	-0.24683587	-0.059707303	0.028517928	-0.070084214	-0.14850149	-0.9995803	-1	-0.99244785	0.23366076	0.06458492	0.29446316	0.31926984	-0.36339718	0.5531338	-0.3330397	0.3697823	-0.06304627	-0.10447142	-0.05031326	0.08217379	-0.07301161	0.124765754	-0.11087091	0.069606885	-0.9925392	-0.99940944	-0.5859616	-0.557471	0.54649585	0.46260214	-0.110305175	-0.9672047	-0.39232317	-0.30997825	-0.220019	-0.27334815	0.011925276	0.4043742	-0.9085136	0.50240445	0.621784	0.25800285	-0.26804918	-0.030449284	-0.87325597	0.6525288	-0.35512012	-0.38880357	0.65476733	-0.40272412	0.49831706	0.2008264	0.135787	-0.42384008	-0.1127655	0.13410051	-0.69283986	-0.28454524	0.02966777	0.05332956	-0.9736845	-0.12688947	-0.54491967	0.15196279	0.016753133	0.3598323	0.9998662	0.22096366	-0.014108247	0.54713255	0.33725637	-0.050499998	0.06362298	0.85846317	-0.254922	-0.09798756	-0.34594297	0.8903837	0.015962387
463	1	CCCCCCCCn1sccc1=O	0.18518427	0.30074385	-0.28226358	0.046743922	-0.6622189	0.21980706	-0.082987964	0.18144737	0.5321633	0.5402145	-0.48995045	-0.6652403	0.4031125	-0.71525246	0.41862082	0.56302464	0.70702744	-0.59360164	0.26285592	-0.50972456	-0.17365502	-0.74986905	-0.4596539	-0.14278388	0.2676717	0.30368277	0.005484968	-0.585294	-0.022830693	-0.44092858	0.0547932	0.51255935	0.31981072	0.07753288	0.20234463	-0.37858003	0.6724753	0.19604024	0.22881459	-0.8622705	-0.996829	0.28985336	0.2074793	0.6238419	-0.71264243	-0.9884345	0.26308367	-0.52487427	0.977667	0.30773377	0.41587532	0.6673774	0.19801703	-0.44586647	-0.8204034	-0.35751927	0.84317136	0.96034795	0.06497958	-0.013805809	-0.15723705	0.10499558	-0.012905394	0.45094663	-0.29935583	0.13704741	0.03746224	0.31615725	0.6847062	0.072278865	0.52444607	-0.9597461	-0.23985074	0.04411386	0.43778175	0.01592549	0.057450555	0.49060902	0.21801789	-0.99990654	0.09606822	0.36575451	-0.91480416	-0.43284547	0.12776077	-0.6149445	-0.45214123	0.11094561	-0.2612106	-0.48956436	-0.61183953	0.03536248	0.009233866	0.095617026	0.89898694	-0.35684824	0.5754422	0.2856031	-0.105029374	-0.14691444	0.13089865	-0.23269573	0.5638042	0.83653414	0.81715864	-0.6058575	0.094521664	0.8423437	0.99127305	0.5794582	0.43117663	0.2596426	0.56546	0.18364239	-0.6154484	0.45543423	-0.22884877	-0.26750132	0.9971066	0.44941568	-0.33320248	0.035920758	-0.236642	-0.42216334	-0.3490612	0.31673443	0.1827332	-0.12646796	0.312511	0.99977326	0.4737036	0.68160635	0.022933029	-0.13253802	-0.2659954	-0.957655	-0.6914506	0.32441223	-0.121140674	-0.55361074	-0.9966036	-0.47512913	0.98649794	0.22252211	-0.80528194	0.33951783	0.3883453	-0.33672017	0.98675257	0.29159576	-0.6300316	-0.78819275	0.050647013	0.5705531	-0.3372993	0.16355963	0.6940791	0.99815977	0.263853	-0.9351289	-0.9872446	-0.3759139	0.47612134	0.25049958	0.55821824	-0.49683315	0.01135529	-0.12995389	-0.20538038	0.097957335	0.22529317	0.6659187	-0.43603158	-0.32826424	-0.003385512	-0.39797786	-0.3892663	0.5580368	-0.47153592	0.5180609	0.024293557	-0.054372635	0.6057642	0.2034635	-0.92899877	0.016865103	-0.43168175	-0.07641433	-0.74597317	0.42644894	-0.8796727	0.7944722	0.19732836	0.29951587	0.2951063	-0.3384746	-0.30874783	-0.8319668	0.1712309	0.4336271	-0.16861324	-0.6232957	-0.28684625	0.12153015	0.17614251	0.15345448	-0.19577773	-0.64717144	-0.4911777	-0.9698638	0.031169668	0.24107727	0.061569683	-0.3748401	0.009659466	0.03169654	0.32669574	-0.30342183	0.36732748	0.62718934	-0.45172593	0.28308904	0.51919526	-0.5236387	-0.9744497	0.7078562	0.34018797	0.38034356	0.19789174	-0.24912041	-0.40916073	0.26450488	0.47539982	0.29617006	0.08542932	-0.29758316	-0.32600132	-0.5919018	0.027729528	0.32435656	0.8422369	-0.87733805	-0.63789743	-0.12941444	-0.47703847	0.02067607	0.42473006	-0.5513896	-0.21072899	0.6423625	-0.024030905	-0.99794906	-0.39917043	0.56591856	-0.32442078	0.09732647	-0.24259932	0.2404719	0.3289453	-0.59530485	-0.32754242	0.19678974	-0.52801216	-0.5336716	-0.00255047	-0.21627095	0.4182753	-0.706863	0.21857187	-0.4939497	0.69702065	0.41727707	-0.4647814	0.41957164	-0.37108815	-0.22058007	0.30180192	-0.49441338	-0.03787544	0.7122923	-0.47541225	0.99920326	-0.5255506	0.39715588	-0.52346665	-0.28442731	0.5473142	0.8699539	0.9872944	0.39818105	-0.4719086	0.9993064	-0.33273995	0.09592023	-0.40616706	0.68602604	0.9977785	-0.9869566	-0.21850042	0.5013333	0.4210889	-0.3286229	0.22509357	0.74276763	0.46564904	-0.56607074	0.9820406	0.85122	0.16595751	0.50329804	0.006107447	-0.23608562	0.2852249	-0.514252	0.76704484	0.14174956	0.73857176	-0.3373444	-0.99998957	-0.38926315	0.22475012	0.625878	-0.22530596	-0.6009165	0.38567308	-0.60886806	-0.19589937	-0.860949	-0.4263166	0.47825155	0.44898635	0.04530635	0.31482977	-0.3142762	-0.05521062	0.5247518	-0.20780586	-0.018343506	0.60177344	-0.6590407	-0.17015235	-0.003454568	0.4334222	0.56173915	-0.100481816	-0.2887453	-0.06968926	0.029333612	0.32812425	0.91172737	-0.994956	0.2907907	0.0676253	-0.013326682	-0.2445667	-0.13024405	0.14468527	0.99841094	-0.6223668	0.09210525	0.082085945	-0.35213527	0.53884083	0.33076125	-0.19300203	0.34653965	-0.55300444	-0.8304078	-0.4802892	-0.4705103	-0.6718358	-0.56605667	-0.64019907	0.6849493	-0.00144747	1	-0.33893153	0.102168836	-0.11728628	0.18468988	-0.4454957	-0.31045654	0.8761503	-0.49960142	0.72933793	-0.19309928	0.2677778	-0.3587554	0.040947374	0.30948785	-0.012418511	-0.6910157	-0.5553884	-0.3356611	-0.087639295	-0.85562646	0.36976296	0.1261381	-0.7088797	-0.31665552	-0.7655644	0.3433488	-0.5064542	0.6332797	-0.26173878	-0.35278445	-0.786415	-0.4225206	0.3771247	0.5359626	0.6226143	-0.45151994	-0.6405555	0.33387324	0.12609923	-0.084453866	1	0.23486511	-0.9901555	-0.068706304	0.999486	-0.19021943	-0.32310686	-0.99997675	0.26066923	-0.72451234	-0.26794457	0.002071109	0.5754586	0.09351233	0.3402478	-0.34854296	0.29120556	-0.47940916	-0.019717555	-0.3045291	-0.374837	-0.5607915	-0.9997823	-0.9990307	-0.97181976	0.41572	-0.035391156	0.24462457	-0.5729837	-0.030652925	0.8748566	-0.71924865	0.6151429	0.40984178	0.50447476	-0.006313337	-0.37340018	0.33173952	-0.07296866	-0.7453227	-0.19979452	-0.9811993	-0.99949753	-0.65763026	-0.09430082	0.61429554	0.069256775	0.40227	-0.9883002	-0.37768024	-0.3468491	-0.27323157	0.1401763	0.3388367	0.26727697	0.90112007	-0.28437197	-0.29193333	0.7278749	-0.07491193	0.25517282	-0.22891329	0.4535259	-0.48229635	-0.4937308	-0.17637478	-0.51878124	0.43125394	0.60482687	0.03922181	0.000868045	-0.20617622	0.04469504	-0.61012113	-0.33257985	0.012661904	-0.539654	-0.6823536	0.19002597	0.01822473	-0.51553017	0.283446	0.47765806	0.999919	0.14459138	0.16447084	0.61831266	0.27077025	0.055560116	-0.038940083	-0.341989	-0.19173454	0.62258834	-0.5991815	0.14624679	0.45662445
464	1	CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1	0.7873072	0.6217821	-0.111941926	0.4152453	0.34368044	0.27033252	-0.281172	0.048969634	0.14690034	-0.06347976	-0.49070424	-0.29786852	-0.15494657	-0.8210015	0.5604991	0.7363975	0.8297315	-0.50496113	0.31782266	-0.089254156	0.07771974	-0.571667	0.6971488	0.65610754	-0.21347697	0.40114072	-0.12546843	-0.7241243	0.4558182	-0.27251747	0.031457525	0.5220218	0.11115846	-0.24163778	0.38956824	-0.5263397	0.3379163	0.5108245	0.9894765	-0.5318789	-0.87447953	-0.08836606	0.14831626	-0.06570735	-0.4637883	-0.8326962	-0.16173072	-0.49088272	0.71789527	0.39608493	0.8428848	0.45142946	0.1342654	-0.34806338	-0.24749133	0.1865428	0.68728673	0.51450217	0.6627599	-0.04904136	0.24951418	-0.61857367	-0.010849735	-0.118529424	0.07219066	0.60941386	-0.006556517	-0.11968727	0.6812659	-0.36033067	-0.7652266	-0.9448553	-0.2482076	-0.11425688	0.7161898	0.44714677	-0.38565525	0.6843951	-0.3838318	-0.9985358	-0.97416884	-0.1402542	-0.8704062	-0.041601032	0.25421464	-0.7594825	-0.053364582	-0.104395576	-0.25492015	-0.713639	-0.39186922	-0.016507486	0.30884525	0.06801525	0.9977575	-0.30271578	-0.17415647	0.20604612	-0.3356225	-0.3391149	0.1502765	0.30624303	0.6112467	0.93316865	-0.8712121	-0.6381641	0.59012175	0.019758388	-0.99999285	0.68280727	-0.055202525	-0.3824863	-0.07361626	-0.21836165	0.15617816	0.24889442	-0.092351966	0.18465656	0.99533683	0.30764404	-0.22936638	0.24720171	-0.27342808	-0.019628212	-0.88243806	0.23767823	-0.22567068	0.6988473	0.26147175	0.99928975	0.6424891	-0.12964666	-0.69073814	0.08543074	-0.76966447	0.4798479	0.18361059	0.54584116	-0.34487173	-0.3445454	-0.9984522	0.32953852	0.7094153	0.38379753	-0.5816482	-0.3360636	0.793624	-0.71358883	-0.011897866	0.15297942	-0.2189019	-0.77856916	0.6050594	0.26460454	-0.5184748	0.32127592	0.7542549	0.87049043	-0.80485785	-0.080597386	-0.92357594	-0.14084095	0.5932387	0.33704543	0.5625822	-0.118384026	-0.320102	-0.7040886	-0.19530673	-0.48020065	0.21916644	0.12437224	0.439051	-0.33659372	0.41380093	-0.86097133	-0.6382607	0.4891473	-0.6466194	0.33376414	0.42916632	-0.9746182	0.009780445	0.7155536	0.117885105	0.41999435	0.17098366	0.3653429	-0.678845	0.3216487	0.26184127	0.41680884	0.56105554	0.25488508	-0.17846283	-0.13190614	0.115683414	0.78307146	-0.42949677	0.20389588	-0.6768615	-0.53512925	0.16590099	-0.21569432	0.093323	-0.87101036	0.57246405	-0.08745792	0.17368929	-0.99951184	-0.21908501	0.4730344	-0.29182804	-0.48123488	0.43104514	-0.5405272	0.4900609	0.60676074	-0.20187095	0.134929	-0.48154843	-0.57249767	0.07723331	-0.09081949	0.9999999	0.36748713	0.35871083	0.18655512	-0.3829519	-0.4164769	-0.44446504	0.49912637	0.5597415	-0.26649526	-0.47544053	0.12845106	-0.48022094	0.16792208	0.7284276	0.8011253	0.84228253	0.3897948	0.023335362	-0.35277855	-0.24961491	-0.105114214	0.47916028	0.4506567	-0.046351843	-0.3032643	-0.35760957	-0.9983262	0.21259616	0.7492662	-0.40432388	-0.60751575	0.17163268	-0.55192226	0.7564421	0.4245439	-0.5347202	0.46950245	-0.07599773	-0.83842236	0.40273115	0.13760531	0.84448695	-0.7368497	-0.9890012	-0.44854298	0.18125373	0.9251011	0.074425735	-0.2657934	-0.755559	-0.44751993	0.17323188	0.5806333	0.46177655	0.30497938	-0.055577725	0.9986481	-0.7272494	0.4840438	-0.6250415	-0.5591181	-0.22137485	-0.87673527	-0.9562621	0.22771114	-0.36543524	0.99090534	-0.758419	0.22199371	-0.47786912	0.63185346	0.99821645	-0.9241388	-0.6177793	0.3119177	-0.184603	0.08936147	-0.51041204	0.26438352	-0.52654386	-0.8937443	-0.45337898	0.31206906	0.36468327	0.5261233	0.57146955	0.44560546	0.2554391	-0.13181517	-0.306531	0.21643876	-0.31546205	-0.37205967	0.9998977	-0.09900552	0.17793113	0.5151241	-0.21932313	-0.93003607	-0.37068278	-0.57022357	-0.12445487	-0.65734494	0.43849772	0.51694095	-0.0788768	-0.3374284	-0.050869286	0.118263185	0.11076372	-0.17326094	0.407606	0.04213676	0.90499115	-0.3491547	-0.42703196	0.6043631	-0.080783956	0.21585232	-0.1112868	-0.551054	-0.7334713	-0.6366604	0.15589365	-0.20815991	-0.9662432	-0.2577594	-0.42737353	-0.6094149	-0.20325117	-0.2470462	0.73887396	0.9997438	0.09094247	0.81239736	-0.10117255	0.62312347	0.3509066	-0.3224874	-0.50749296	0.279942	-0.3765971	-0.13796958	0.44397193	-0.62294847	0.12628733	0.19039251	-0.66569227	0.35717633	0.04794924	1	0.084729895	0.19028996	-0.7760916	-0.30289456	-0.12471281	-0.30326542	0.18773788	-0.35175633	0.36444706	-0.50541794	0.4603975	0.4871069	-0.36616594	0.6390123	0.061587438	-0.2806188	-0.23637274	0.1563326	0.14461792	-0.94715863	0.6021078	-0.019739559	-0.84155935	0.47038943	0.760826	-0.07373019	-0.7974584	0.087223694	0.20896553	0.36783743	0.29051837	-0.48296928	0.070186526	-0.23976967	-0.6907355	-0.19323026	-0.51428044	-0.52816355	0.6695795	-0.3384579	-0.9094571	0.10108276	-0.9503993	0.20027162	0.99937105	-0.7786241	-0.7608463	-0.83605903	-0.5575643	-0.6447453	-0.14792494	0.21256554	0.2167654	0.6101492	0.34035972	-0.78196293	0.19896778	0.482629	-0.59544474	0.18124077	0.22257061	0.16622745	-0.9999528	-0.9981935	-0.7563057	0.47678167	0.46831942	0.6754994	0.4205051	-0.8752416	0.7816442	-0.5894826	-0.11810832	0.67306966	-0.7389104	-0.12691493	-0.22091731	0.18910897	0.6846537	-0.7067069	-0.19533525	-0.38386112	-0.9998407	-0.8120152	-0.17747992	0.1505462	0.5286571	0.47672367	-0.36853415	0.7809907	-0.7148899	-0.6849889	-0.124321274	-0.5141192	0.26295164	0.9173737	-0.15731077	-0.8896827	0.36241025	0.688092	-0.7266221	-0.9023553	-0.010652728	-0.35582432	-0.7689069	0.6084566	-0.8612501	0.3755589	-0.20529585	-0.23938634	0.4039575	-0.25380278	0.24877861	-0.108962454	-0.8781547	0.22393632	-0.15736198	0.97088856	-0.06422031	-0.30839851	0.011777872	-0.085032515	0.55048734	0.99999833	0.57495755	0.2538327	0.100566894	0.6644589	-0.14813635	-0.54228276	-0.98740596	-0.18610592	0.49819478	-0.7036263	-0.39373526	-0.79590726
465	0	CCCCC(CC)CN1C(=O)C2C3C=CC(C3)C2C1=O	0.58549666	-0.052373223	0.30817115	0.1520246	0.107399724	-0.16628164	0.031112144	0.2162974	0.17794153	-0.7565861	-0.66965175	-0.36372206	-0.061210528	-0.13911335	-0.41553727	0.31004134	0.38529557	-0.51081884	0.36157575	-0.41580793	-0.26830357	-0.3129909	0.100686595	-0.494291	-0.6446463	-0.107087	-0.74219966	-0.69656557	-0.03287244	-0.092688255	0.59901345	0.10479498	-0.07233295	-0.689557	0.054913897	-0.64674675	-0.26503572	-0.06771182	0.99468076	0.1274841	-0.9846096	-0.40628478	-0.6610134	0.6487522	-0.55831057	-0.85748434	0.65449375	-0.65148884	0.5649568	-0.5547294	0.0587844	-0.31569952	-0.6245483	-0.20088173	-0.53207964	0.46777722	0.4221276	-0.051713455	0.3162688	-0.32405	0.052298307	-0.21867274	0.061851896	0.19334961	0.3935379	-0.18429217	-0.77117366	0.117589206	0.27843404	-0.8102925	-0.56690985	-0.9363175	-0.3519257	0.8649511	-0.22323696	-0.4481595	-0.47645938	0.36699867	-0.10062444	-0.9999164	-0.0360483	0.18258141	-0.6561052	0.6803375	0.14066347	-0.62605506	-0.022104872	-0.7522985	0.10787038	0.8468746	-0.29716134	-0.18892665	0.049774665	0.23753944	0.98870695	-0.1434834	0.5670524	-0.23949899	-0.69404644	0.07610735	0.19788224	-0.16713554	0.5922726	0.8119442	-0.95265645	0.58488584	-0.3484925	0.44416988	0.9885866	-0.071337886	0.3471844	0.5123394	0.7964766	-0.42538399	-0.024588784	0.15380271	0.21208912	0.16749254	0.99523705	-0.1061833	0.4629869	-0.048289128	-0.65369076	0.14070722	-0.4639556	0.60284936	0.57078665	0.7850659	0.6209711	0.99973726	0.42952114	-0.033331167	-0.71232027	0.56344676	0.031712074	-0.99310744	-0.58768183	0.6909017	0.26286963	-0.85844177	-0.9998575	0.21987447	0.8693855	0.5162524	0.6930927	-0.38708696	0.07067573	0.0774635	-0.24070193	0.31343985	-0.86345166	-0.67156065	0.18593435	-0.4950472	-0.61338806	0.33093572	0.088923626	0.74056214	-0.16183746	-0.8347042	-0.8822533	-0.031049935	0.5682364	-0.3989782	0.5883327	-0.41535828	0.36398366	-0.24559565	0.039525308	0.29427513	0.22952794	0.6207711	-0.036492404	-0.065992646	-0.57001543	-0.9553305	0.61017466	0.09464111	0.70421195	-0.07205289	0.5196136	-0.87218076	-0.023799995	0.016802844	-0.29924488	0.059564635	-0.114511706	0.62230515	-0.3483402	0.50166786	-0.9005152	0.06806352	0.20696698	0.05381536	0.2709331	0.19447236	-0.7667881	-0.85852385	0.36217886	0.30578738	0.23355749	-0.21879752	0.8287914	-0.43708223	0.000810008	-0.6265913	0.2719663	0.12284817	-0.28642648	-0.9998135	-0.3570616	-0.47332364	0.63636464	-0.64288294	0.20756955	0.3356556	0.6375467	-0.82979107	0.6543649	0.005352579	0.27372536	-0.21935458	-0.67564344	0.41988918	-0.9675176	0.8483611	0.3278557	0.6658012	0.3601037	-0.4499325	-0.048205327	-0.15303434	0.8004851	-0.3784069	0.015129948	0.54602826	0.60757524	-0.083036885	-0.38601384	-0.82700795	0.849771	0.2333739	0.24324895	-0.20321366	-0.77735823	0.005684717	-0.35313436	-0.074502654	-0.19942798	0.32379416	0.46864572	-0.77589643	0.72807324	0.18207242	-0.32264343	-0.67104036	-0.09564909	-0.53178984	0.07777491	0.6440395	-0.007985201	-0.5418547	-0.5669418	-0.6690615	0.31143123	0.5710605	-0.66437495	-0.48597702	0.7866417	-0.456782	-0.44294715	0.91436636	-0.39308748	-0.34889302	-0.6778583	-0.5828003	0.2454881	-0.81889194	-0.43533492	0.6661736	0.4418659	0.9988521	-0.34422207	-0.30064943	-0.44905382	-0.27520242	-0.033723347	0.88916993	0.96776056	0.6638538	0.37771773	0.98070604	-0.7094143	0.495525	-0.87962943	-0.59050643	0.9999909	-0.9853277	0.36665204	-0.7124834	-0.4336086	0.521668	0.5456288	0.15545034	-0.7637162	-0.50969994	-0.67509156	0.52786314	0.41060835	-0.15301539	-0.42105886	0.5716831	0.14813921	0.17794731	0.10549025	-0.28738406	-0.17549534	0.29530883	-0.99994206	-0.28695598	0.08211893	0.7646608	0.51039994	-0.53469783	-0.15355481	-0.4777483	-0.7497246	-0.8962071	-0.031946693	-0.16178538	-0.046444196	-0.59862715	-0.46910045	0.17304583	-0.5646772	0.3277178	0.08718059	-0.09574215	0.30597308	0.113591455	-0.40547103	0.5927777	0.7963343	0.20253652	-0.1495121	-0.5337408	-0.2306263	0.88635343	-0.2593303	-0.524858	-0.97478247	0.759355	0.28985187	0.562064	0.3982597	0.50037795	0.39732125	0.99992275	-0.11422704	-0.005343574	0.3852744	-0.48332587	0.34609786	0.64043915	-0.43057123	-0.4888917	0.002609903	0.688577	-0.076373	0.10003575	-0.15871447	-0.915645	-0.47983178	0.13250598	0.39167395	-0.9620176	-0.49623698	-0.11430847	-0.2494892	-0.087587506	-0.26103765	0.025555387	0.7179528	-0.17776892	0.48999953	-0.4755809	-0.3982522	0.18509638	0.42622802	-0.8063285	-0.6918653	-0.07549769	0.5670115	-0.25662306	-0.16208762	-0.59784824	0.2864433	-0.85451686	0.08146088	-0.41716328	0.2820996	0.35737404	-0.58580154	0.57530147	0.12526499	-0.4988895	-0.18711871	-0.39778343	-0.7430245	-0.06273056	0.4436019	-0.30673152	-0.000867363	-0.54932165	0.03964408	0.65705335	0.9999997	0.06993064	-0.69803333	0.43108976	0.9997559	0.33243057	-0.17864375	-0.9999523	-0.6556686	-0.59944874	0.2633118	-0.37998146	0.1897589	0.5786002	0.048311725	-0.6027258	-0.07910485	0.04108879	0.46517703	-0.29661918	-0.011253835	0.20806427	-0.999974	0.9999951	-0.6974416	0.6318595	0.17423758	0.6358537	-0.083346225	-0.26032805	-0.6192921	-0.5745662	-0.57945913	-0.033579618	0.3235482	-0.39143232	-0.54473245	-0.036127258	-0.5674018	-0.43020305	-0.046085026	-0.15416689	-0.99989605	0.1606782	-0.25676116	-0.64180577	0.46803465	-0.5381092	-0.89020354	-0.6666522	0.30832466	0.050192323	-0.44777933	0.31753182	-0.035110902	0.36345416	0.0861393	0.18451366	0.63557965	-0.039707445	-0.48226264	0.17768036	-0.001526081	-0.09271616	-0.62409633	-0.60437673	-0.00605938	0.19388121	0.36713487	-0.24515916	0.16680866	-0.36250138	0.2538853	-0.77786267	-0.308193	-0.39335737	-0.3516145	0.9765168	-0.15381996	0.21396932	-0.32698432	0.39174277	0.005351341	0.9999835	-0.09856865	-0.43635413	-0.045644604	-0.73208797	0.021559205	-0.17631805	-0.9909817	-0.43473077	0.25755593	0.5513496	0.83484423	0.41211325
466	1	CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]	-0.11325232	0.3021385	0.45487043	-0.579593	-0.2581208	-0.22264299	-0.68807507	-0.25094822	0.53404045	0.5805944	-0.35752508	-0.2693037	-0.2177079	0.4316818	-0.16536225	0.07141481	0.12099236	-0.26271433	-0.68260926	0.075263344	0.7887156	0.6969814	0.1786619	0.66919845	-0.15922931	-0.18919843	-0.257723	0.14575657	-0.65280855	-0.6632241	0.25127766	-0.014835601	-0.79630774	0.29634345	-0.58288187	-0.8784866	-0.6594378	0.59567493	0.99932176	0.6588955	-0.9605923	0.3160236	0.29708096	-0.10357154	-0.14491029	-0.44738123	0.50073737	0.59983516	0.77354443	-0.044884242	-0.012986689	-0.41404498	-0.51796174	-0.047076844	-0.11592219	-0.21697274	-0.002439979	-0.8320702	-0.045242235	0.19737948	0.20456481	0.8357218	-0.57463795	-0.1545749	0.43922433	0.9237608	0.43387064	0.191894	-0.12120792	0.032696176	-0.7627123	-0.9957218	0.5774607	-0.5678043	-0.7588187	-0.124574676	-0.10524283	-0.67746335	0.12390206	-0.9998014	0.7415482	-0.66018915	-0.85524756	-0.8197291	-0.1484133	0.20747699	0.044602368	0.3074076	-0.8654609	0.673727	-0.39810163	-0.51273495	-0.35385686	-0.36749423	0.999982	-0.044592608	-0.6341882	-0.49205765	0.1585208	-0.29956728	0.17798941	-0.10089337	0.59223074	-0.75765747	-0.991719	-0.8767405	-0.18526016	-0.54797065	-0.858975	0.45171943	0.81847745	0.06925788	-0.70783895	-0.5248699	0.4250324	-0.4183345	-0.61217284	-0.3540137	0.9956603	-0.628062	0.33643848	0.38183802	-0.05595944	-0.26698074	-0.62792194	0.050382115	-0.44310132	0.26277685	0.42902812	0.98779064	-0.041364975	0.5536514	-0.28090987	0.66577345	-0.10589903	-0.8822885	0.6617461	0.2265454	-0.90198326	-0.55881	-0.9951431	0.055494938	-0.8100161	-0.48368654	-0.11748196	-0.6309391	-0.34525827	0.39255825	-0.8382356	-0.3255436	-0.49433568	-0.23456226	-0.8326338	-0.55372804	-0.3216756	-0.01958622	0.14896835	-0.2958585	-0.9071191	-0.46597177	-0.82459354	-0.39644027	0.56154966	0.6534476	0.5775397	0.8060527	-0.74925	0.34541807	-0.35585576	0.3627412	0.1591073	0.5075215	-0.027283577	-0.5498885	0.7889605	-0.63980657	-0.7631475	-0.11199335	-0.13433763	0.38602558	0.37313637	-0.9999898	-0.7153792	-0.5901411	0.8703046	0.8057449	0.20912728	-0.22755663	-0.84827316	-0.6274349	0.5458229	0.6629632	-0.17217343	-0.26635206	-0.24978757	0.041305352	0.537711	0.9459228	-0.42788962	0.82863885	-0.3757323	0.76309305	0.72076577	-0.2320688	-0.7337883	-0.59306175	-0.242593	0.25060144	0.112673976	-0.9995194	0.5653341	-0.2909442	-0.20662588	0.0494835	0.15326819	0.65544504	0.51902676	-0.4336975	0.23882021	-0.88071483	0.054462805	-0.88083816	-0.1807522	0.61017174	0.97374684	-0.29204157	0.69091105	0.77349186	0.42064252	-0.51257986	0.61659974	0.7455839	-0.47913197	0.32593834	-0.787211	-0.008012275	0.014132711	-0.7872288	-0.3587043	-0.12708631	0.22782016	0.19221085	0.6109318	0.4575129	-0.3875988	0.51467794	-0.6859333	-0.15566932	0.02450183	-0.117641814	-0.3484167	-0.9981864	-0.30968705	0.41948044	-0.1940954	-0.37069798	0.001480705	-0.58035034	-0.15707746	-0.49045953	-0.79806167	-0.14935692	-0.75924927	0.5409639	0.79325986	0.03692229	0.6745034	0.27541572	0.7613714	0.22403245	0.7626359	0.8876719	0.34068048	0.05534811	0.3018292	-0.4407665	-0.17049177	-0.101705566	-0.89622575	0.23687908	-0.005159546	0.98931956	-0.5367902	-0.69367146	0.2491695	0.3313999	-0.17466418	0.17305909	-0.76526695	-0.22134678	0.70172036	0.84137255	-0.41745052	0.9832795	0.067815155	-0.43822977	0.99881226	-0.6964973	-0.78631365	-0.5849705	0.21131772	0.92253065	-0.91711843	0.007186564	-0.50116783	-0.26505867	-0.9049844	-0.019819615	-0.47308007	0.1350084	0.5594595	0.6149319	-0.23606844	-0.5441405	-0.9989241	0.85131997	0.77722526	-0.2838166	-0.9695552	0.25508296	0.006349705	-0.09362698	0.24577148	-0.79742575	0.103036895	-0.7902812	0.1832236	-0.73888785	-0.15776019	0.048058555	0.77340966	-0.22842349	0.19379687	-0.5849719	-0.73967874	-0.8966294	-0.38916397	0.30137053	0.112823606	0.6869724	-0.361502	0.7011076	-0.4832412	-0.010312817	0.30569804	-0.4408118	0.49589622	-0.1559194	0.46204165	-0.8401645	-0.7238391	0.50292504	-0.13163587	-0.017816646	-0.47521377	0.59402716	0.2543331	0.9996989	0.52910316	0.41093937	0.26100296	-0.56735325	-0.5320833	-0.07772715	-0.012015563	0.1688585	-0.028514856	0.24246493	-0.40695685	0.07510621	-0.6733999	-0.28209612	0.6655724	-0.20128289	-0.23933288	1	-0.12938198	-0.31006613	-0.3037369	0.69605047	0.104593135	-0.34039244	-0.7142856	-0.74132746	0.8666783	-0.12801495	-0.4178386	-0.77136993	-0.3743696	0.61747235	0.16297072	-0.9065472	0.15573019	-0.27551153	-0.15798798	-0.9427115	0.63575375	-0.22529861	0.84775436	0.769035	0.9972101	0.26553208	-0.03711382	-0.7145334	-0.34767738	-0.04113857	0.07416896	0.99912995	0.13829778	0.055662245	0.4702832	-0.26324067	-0.5552583	0.8110825	0.16363937	-0.25068453	0.99995923	-0.23640572	-0.9258846	0.1152208	0.99964863	-0.8411108	-0.51446986	-0.9991734	-0.46733373	-0.33765703	0.89811784	0.65757483	-0.085004	-0.61733246	-0.379798	0.2663946	-0.21159205	-0.45096108	-0.3713056	-0.5140142	-0.19638403	0.14963374	-0.9999335	-0.9959802	-0.8019043	0.72650796	-0.12870958	-0.35102224	-0.64683825	-0.374941	-0.83617055	-0.9095586	-0.28257546	0.3815201	-0.9029108	0.61571676	-0.7200988	-0.2781782	-0.7724622	-0.045925498	-0.07950635	0.5067713	-0.9998628	-0.34099793	0.21196836	-0.23847415	-0.56566644	0.4546768	0.97404486	0.9532531	0.820183	-0.622469	-0.5846051	0.001296724	0.16421565	0.94918007	0.61499864	-0.37694257	0.49417114	-0.10066612	-0.51895237	0.7720913	-0.19523993	-0.29341507	-0.47630447	0.82013077	-0.034385085	0.2558078	-0.5137071	0.11466803	-0.59067357	0.023367042	-0.117537774	0.77600867	-0.35059994	-0.21307573	0.039435126	0.97970194	-0.028723055	0.4017203	-0.5739687	0.8213475	-0.9078453	0.998758	0.4635473	-0.4468134	-0.47276503	0.685192	-0.31759304	-0.346044	-0.98612213	-0.8017009	-0.61329246	0.020898437	0.7814515	-0.27882826
467	1	CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl	0.05274089	-0.24641265	0.09384801	0.47770962	-0.19123396	0.15484576	-0.21571596	0.74771047	0.39202285	-0.008381607	-0.4641143	-0.04414874	-0.2529772	0.7347389	0.41442493	-0.86231446	-0.103770316	-0.8259265	-0.22953518	-0.39396137	0.01472018	0.1797117	0.40522864	0.10709512	0.13477026	0.20097625	-0.15648703	0.16457815	0.048296146	-0.3159159	-0.63184494	0.65606505	-0.043643594	0.40418255	-0.03070028	0.68720233	0.16087684	0.11571444	0.9986594	-0.5533963	-0.974839	0.17936336	0.10343497	0.6689978	-0.38231227	-0.4214356	-0.63189375	-0.23300195	0.6050934	0.056788743	-0.12875557	0.6341312	-0.27478588	-0.10884174	-0.22458558	-0.018159634	-0.6033753	-0.73717463	-0.08864827	0.23948978	0.512783	0.061938804	0.5387739	0.70785755	0.15823631	0.21341394	0.41127586	0.4650387	0.5652979	-0.19299953	-0.8667831	-0.84518224	0.44650897	-0.7937099	0.45548183	-0.7993727	-0.036461756	0.43663132	0.37362576	-0.9990644	0.4644748	-0.052154552	-0.92597795	-0.27346694	0.180365	-0.86618257	-0.33698487	0.3011913	-0.6458198	0.2557913	-0.2697103	-0.5104738	-0.40927067	0.22409642	0.9985466	-0.56145257	0.67733324	-0.35963184	-0.01536331	-0.29179135	0.2487334	-0.30918646	0.23904929	0.29498452	-0.99005944	-0.9645272	-0.21670926	0.5852284	0.9666336	0.45537585	0.23738919	0.07359526	-0.30635366	0.14549555	0.047965594	0.2247359	0.3113747	-0.042147685	0.9912691	-0.5620483	0.004165368	0.001835191	0.25224313	-0.12171479	-0.023553675	-0.33173722	0.7705841	-0.45397186	-0.22619106	0.9997969	-0.4903142	-0.6190312	0.58634585	0.07922264	-0.07905066	-0.99160296	-0.25697264	-0.10749616	-0.50978875	-0.63957864	-0.9999003	0.34595832	0.8197268	0.15695569	-0.17592086	0.28375313	-0.66962683	-0.7372771	-0.681286	-0.37468123	-0.33568883	-0.5336571	-0.5474654	0.028145732	-0.2544727	0.45256776	-0.18207927	0.3264861	-0.8710116	-0.7961044	-0.76376975	0.7409659	-0.6656947	0.2637103	-0.13011964	-0.21041057	0.75206745	0.40167826	0.05131158	-0.32441032	-0.36817485	0.1299107	-0.1461007	-0.6989999	0.02135367	-0.14059292	-0.55908716	0.065508604	-0.46356875	0.7896906	-0.028617276	-0.8470301	-0.64887834	-0.18374626	-0.12751646	0.39682075	0.51868105	0.581071	-0.13679624	-0.6035826	0.07923099	0.53504026	-0.5649614	0.10055563	-0.30758008	-0.4669236	0.12663743	-0.8843504	0.10847174	0.15484697	-0.9002045	-0.56471616	0.030028906	-0.31246063	-0.025147501	-0.3254907	0.6761937	-0.38984224	0.36896873	-0.99974954	-0.5328941	-0.333965	0.64654154	0.262432	0.2826895	0.43791333	0.05467581	-0.19562107	-0.37750065	-0.25271696	0.2501476	-0.3303962	0.7739202	-0.14375736	-0.85563344	-0.6095821	0.021821428	0.28079873	0.37778035	0.24096353	-0.68890446	-0.11038345	0.521173	-0.5388731	-0.06844718	-0.11774976	0.37258136	0.20556623	-0.6472996	-0.033309635	0.845371	-0.36220333	-0.27430347	-0.59346193	-0.14040698	-0.5905672	0.3929425	-0.34409022	0.15815467	0.6860169	0.32115886	-0.97702265	-0.6440624	-0.22745796	0.004582854	-0.5742483	-0.5419451	0.10239626	0.24195261	-0.43412057	0.26144367	0.23764265	-0.11272004	-0.53591	0.6025591	-0.5163586	0.2763575	0.79965824	0.60147417	-0.110961035	0.5273182	0.97628856	0.028620612	-0.40132627	-0.4902663	-0.5769541	-0.4204978	0.17569953	0.2672013	-0.6547163	0.37437403	0.9956082	0.047460563	-0.37705693	-0.68093574	-0.21645428	0.6340469	0.9269042	0.9110929	-0.2329949	-0.07766149	0.94917345	-0.2697074	0.89366126	-0.4607317	-0.30165693	0.99996465	-0.99048215	-0.1022576	0.2438365	0.52546513	-0.09745071	-0.44520375	-0.43288842	0.7046237	0.7059159	-0.874768	-0.06248944	0.1387107	-0.24286775	0.5236358	-0.3244955	0.29126835	-0.38183227	0.304608	-0.38117796	0.7523194	-0.30995858	-0.9999163	0.40732214	-0.048721705	-0.19353439	0.852154	-0.624824	0.66650283	0.322122	0.1852236	-0.865278	0.58266276	-0.22150691	0.10104291	-0.5071221	0.2959856	0.47967136	-0.27966902	0.44928932	0.18486944	0.54766107	-0.03923853	0.4116711	0.15489565	-0.56825936	-0.023057615	-0.37818143	0.56355953	-0.16857465	0.19275716	0.11255858	-0.6413438	-0.6954933	-0.90791214	-0.14506623	-0.12282701	-0.7344533	0.14659064	-0.34030604	0.48824894	0.9995948	0.17193083	0.3364197	-0.2771448	-0.648727	0.30527458	0.47376978	-0.666569	0.66080767	0.59434193	0.4031577	0.4472191	0.34619075	-0.4332726	0.33486745	0.62471	-0.65383595	-0.26254597	0.9982385	0.16164295	-0.27421105	-0.48333046	-0.110326655	-0.13484511	0.003602102	-0.5626278	-0.7234167	-0.511518	0.28384346	0.33275795	-0.13415241	-0.50743634	0.7353899	-0.34592822	-0.22850783	-0.38228467	0.67188257	0.6244561	-0.57226485	-0.2491776	-0.16459057	0.53786063	-0.3087595	0.5897746	-0.41148558	0.12508152	0.58666253	-0.070021935	0.10409448	-0.62732613	0.14701027	0.07238468	0.061198264	0.2127251	0.51517683	0.2688543	0.7216727	-0.17059292	0.6860245	0.9999995	0.49707675	-0.9776376	0.11832097	0.9996915	-0.5349793	0.14695427	-0.9999035	0.07169719	-0.7394992	0.56407446	-0.65828687	-0.20548637	0.3649552	-0.3282351	-0.5135705	0.24992988	0.016914317	-0.051294357	-0.5762485	0.27646413	-0.5495399	-0.99996334	0.9935074	-0.6491957	-0.28401843	-0.3105974	-0.4398082	0.14160042	-0.3685457	-0.73865193	-0.5144943	-0.2858102	0.23645091	-0.44795936	0.16265368	0.12379214	-0.25291184	0.4955485	-0.34058136	0.17232814	0.47846857	-0.9997965	0.43799055	-0.2171414	0.44112852	-0.1881817	0.16829596	-0.80406064	0.7652143	0.5087352	-0.3562708	0.5042387	-0.14587983	-0.3685738	0.9734246	-0.26155204	0.5713928	-0.54146695	-0.102987565	-0.78298134	0.15932551	0.009249309	-0.1434213	0.13429876	-0.35970968	0.15071663	0.56321347	0.33107743	-0.31246337	0.1351809	-0.24798796	-0.1488985	0.7675753	-0.65309596	0.23370086	-0.7920652	0.984205	0.6236398	0.1103136	0.24386784	0.39323696	0.17942914	0.9998538	0.4215828	0.30011123	0.28470364	0.46112403	0.19873463	-0.35874423	-0.99300385	-0.7071924	0.58625454	0.18927905	0.2472571	-0.26331562
468	0	CNC(=O)ON=C(SC)C(=O)N(C)C	0.49051127	0.1984752	-0.7826728	0.20989853	0.32012218	-0.3434007	-0.018857447	-0.31320572	-0.62812847	0.46831998	0.36809266	-0.45154613	0.12204638	-0.066411115	0.07926766	0.37183195	-0.133963	-0.54568094	-0.6089705	0.7536218	0.17697465	-0.39734364	0.09652385	-0.4633577	-0.29519683	0.22138001	0.22935678	-0.13045871	-0.4312637	-0.18790095	0.037962884	0.08561027	-0.32131803	-0.3569283	-0.07183723	0.19564642	0.5184772	0.3921954	0.8958592	-0.2664764	-0.8482756	-0.7856904	-0.06424354	0.64835334	0.11658213	-0.98194754	-0.19072413	0.4623105	0.99058294	0.5689402	-0.40896904	0.42281017	-0.010156379	0.19813237	0.116361976	0.31243742	-0.47526997	0.79182297	-0.70955575	0.2170619	0.4353486	0.21979374	0.16068347	-0.43935245	0.027564151	0.07176415	0.49961555	-0.4972782	0.31859675	0.09191288	-0.538939	-0.9998416	0.4650113	0.7857615	0.19359906	-0.3896918	-0.2152282	-0.56134325	0.3079654	-0.99994445	0.13946728	-0.41348454	-0.5327286	-0.004582718	0.11080958	0.9351244	0.585496	-0.4375527	0.071891665	0.5186555	-0.10078257	0.6382915	-0.19847342	0.27773443	0.9998682	0.14089905	-0.95442843	0.3215608	-0.3766446	0.075436555	-0.5351428	0.25575244	0.13110067	-0.538686	0.089734904	-0.8678653	0.6717827	0.37551227	-0.8624417	-0.16552328	-0.025957383	-0.14694422	-0.78528804	-0.32357588	-0.48589385	-0.45333698	0.22869647	-0.12799457	0.9995163	-0.65535146	0.23148629	0.3405098	0.04465618	-0.03674717	-0.34630892	0.08993275	0.35455397	0.11546939	0.027193133	0.9249138	0.7131416	-0.060508784	-0.41890785	0.001383315	0.10182613	-0.96651846	-0.3451279	-0.61491627	-0.46971592	-0.36447516	0.99857646	0.5650499	0.7603647	0.17748182	0.4225256	-0.26233608	-0.14464885	-0.34532636	0.73768383	-0.00290016	0.4358265	-0.40848342	-0.45111176	-0.48150578	0.51067424	0.06339165	0.1655146	0.9944595	-0.49552745	-0.02542732	-0.98269993	0.1921428	-0.19433203	-0.06315376	0.24899632	-0.18083051	-0.24816664	0.2199038	-0.26460406	-0.64846694	-0.1177528	-0.55947787	0.67329794	0.4182924	-0.06631981	-0.525876	-0.62793195	-0.52275074	-0.46369502	-0.45664743	-0.10978692	-0.9886639	-0.37380138	-0.36300844	-0.19766642	-0.068934485	0.23533975	-0.24543615	0.09762176	-0.1707787	0.41712627	-0.6541601	-0.738014	-0.24070534	0.10425314	-0.13720079	0.48098662	-0.8122978	-0.3024546	-0.5776791	-0.30172157	-0.38501695	0.17627555	-0.14453861	-0.40431228	-0.004685736	0.40746906	0.35947213	0.36503792	-0.9987349	0.34551734	-0.35104576	-0.42565316	0.14007175	0.099544555	0.646548	0.25385454	-0.41807705	-0.15888654	0.39537963	0.03680005	-0.17271623	0.25351763	-0.56827235	-0.9485228	0.15540664	-0.21781594	0.1541803	-0.3253639	-0.1005211	-0.5168422	-0.5499515	0.16716984	-0.34600994	-0.5518058	0.07143631	-0.5548185	-0.25406954	-0.19779213	0.278404	0.70549476	-0.65947926	-0.030121706	-0.19114369	-0.6173192	-0.037975945	0.29468635	-0.090757	0.10284501	0.06547473	0.9008947	-0.9998286	-0.4217629	-0.6688487	0.58339226	-0.33253974	-0.2560387	0.40103337	-0.6678792	-0.72251755	0.2786472	-0.18510936	-0.33841762	0.04928713	-0.79580766	0.10311397	-0.36861914	0.5707099	0.77227694	0.36941624	0.5784908	0.9980803	0.48383927	0.11733376	-0.4233371	-0.9472783	0.4123125	0.7001903	0.16609275	0.4685042	-0.23129958	0.99933016	-0.44243574	-0.76798296	-0.61602354	-0.3148855	-0.1858114	-0.44725472	-0.9375902	-0.19583869	-0.5639971	0.99916124	-0.10052802	0.8626187	0.41838443	-0.8569169	-0.99702287	0.24642096	0.3141326	0.20640704	0.21674596	0.344483	-0.2391979	0.16739549	0.5886122	0.75819016	0.96538025	-0.28036872	-0.07900761	0.5311896	-0.46963915	0.018017542	-0.5820357	-0.23891492	-0.45482755	0.002278121	-0.032286625	-0.14332728	-0.9194911	0.15130717	-0.13825849	-0.19306059	-0.12589884	0.38833407	0.7954218	-0.25690112	-0.60064185	-0.055427406	-0.3471663	-0.11740607	0.25944826	-0.076345466	0.027738739	0.61179805	0.50816786	-0.9701033	-0.49045625	-0.08111042	-0.36835092	-0.46935982	0.110094264	0.53518057	-0.82276136	0.6727229	-0.06984934	0.05190686	0.027108388	0.42052522	0.004928305	0.7517964	-0.9810784	0.28450713	0.66149	0.21662878	0.4676012	-0.66058886	-0.1350433	0.9999054	0.42666462	0.22027804	0.402156	0.29001763	-0.20687276	0.6682091	0.4183198	-0.5926225	0.5665169	0.7256018	-0.68581367	0.54473656	0.15537296	-0.29829693	-0.015968725	0.08154159	-0.1802408	1	-0.26989558	0.19062081	0.119721666	0.098338544	-0.83710164	0.80322784	0.38239256	0.40223718	0.32523492	-0.20604292	-0.40059978	0.44436216	0.46300158	0.41637427	-0.26842228	-0.15947914	0.61003494	0.040908422	0.050671555	-0.9501461	0.34458393	0.55932266	0.12095289	0.3484226	0.8001609	-0.11361724	0.18694031	-0.24204469	-0.35683432	0.20274276	-0.09447954	0.51398975	-0.33013237	-0.44456092	0.02255895	0.16147402	0.42670062	-0.5746006	-0.013798231	0.78792197	0.99992895	-0.05859776	-0.7857975	0.41987726	0.9996958	0.22028881	-0.20268343	-0.9990554	0.29790384	-0.40508893	0.25510994	-0.29156283	-0.79796934	-0.39564523	-0.21699616	0.89006233	0.19964676	-0.46611798	-0.60270983	0.000957133	0.62215024	0.35996422	-0.9999739	-0.99999994	-0.9943027	-0.5530323	0.2863069	-0.5076121	-0.40447953	0.44462717	-0.7090701	0.71290624	0.38319397	0.41835296	0.27023473	-0.11217597	0.13278422	-0.14133897	-0.2685334	-0.6845552	0.027190614	-0.96779597	-0.9999223	0.3962209	0.47163516	-0.4063623	-0.35336572	0.777546	0.51560086	-0.20267859	0.45967203	0.4940241	0.26275954	-0.022593249	0.25269067	-0.85143834	-0.5750283	0.30109662	-0.5388026	-0.31216732	-0.35606804	0.27931446	-0.059368193	0.49936327	-0.2668028	0.9218016	-0.991274	0.47774515	0.49192688	0.17786275	-0.54561055	0.0800496	0.062899336	0.62013435	0.1584842	0.6089031	0.34693426	0.13850604	-0.43638328	0.6339231	-0.32498497	-0.08543199	0.5149448	0.99997675	0.009219004	0.41600862	0.47183082	0.29279524	-0.40789223	0.14669684	-0.9463919	0.69307417	-0.33952236	-0.25397772	-0.03922754	-0.25098166
469	0	Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC2COC2)n1	0.9613518	-0.14900833	-0.553824	0.53854775	0.50638324	-0.032716766	-0.41399997	-0.57499033	0.7205839	-0.1350692	0.36541873	-0.46899346	0.77509177	0.4978736	-0.46161088	-0.024531774	-0.33970085	-0.14031954	0.15395223	-0.5431361	0.36945695	0.041080732	0.32945013	0.7653492	-0.791783	-0.26428154	-0.30491278	-0.13616394	-0.395724	0.7107915	0.3983116	-0.44163314	-0.12588504	-0.5378096	0.61384237	0.11135341	-0.28273302	-0.41286138	0.99949807	0.546531	-0.27509242	0.06735004	-0.15218829	-0.29803035	-0.42468157	0.655071	-0.4036138	0.09141238	0.15097307	0.2779297	-0.8084495	0.34588552	-0.39379263	0.20283535	0.76648587	-0.2613104	-0.07590246	-0.90066373	-0.056981605	-0.108714886	-0.5829742	-0.20930907	0.2965317	-0.34681132	0.22694919	0.6179337	0.6315718	-0.33422953	0.6096904	0.3204559	-0.98157406	-0.99953896	0.31759322	-0.21082965	-0.8064965	0.61501724	0.40563333	-0.6929196	-0.22719456	-0.99997985	-0.080621	0.210365	-0.78423625	0.57314646	0.10408503	0.23009787	0.62586045	-0.48428038	-0.8411482	0.60572064	-0.13596635	-0.5592025	0.50078696	0.071678065	0.9999908	-0.17927703	-0.8861913	0.27307966	-0.42348593	0.61292946	0.31369236	-0.6659635	0.3242581	0.9719007	-0.9992437	-0.9897536	0.32744542	-0.72603464	-0.9997868	0.22993341	0.10039891	0.4499518	-0.83678526	0.022747865	-0.18970576	-0.22854824	0.057526413	0.11418975	0.9160773	0.036474008	-0.18816742	-0.41736433	0.11029845	0.33573025	0.24907824	-0.8040404	-0.3697824	0.040724996	0.53957605	0.9077387	0.48037153	-0.33934817	-0.2625136	0.3874809	-0.31570098	-0.9875815	-0.10877855	-0.15491836	-0.38606182	0.78322417	-0.9999999	0.014585514	-0.8892593	-0.39475048	0.011410314	-0.13639423	0.24431664	-0.15795241	-0.99671024	0.4792059	-0.591084	0.4626923	-0.62736446	-0.094627894	-0.27307332	0.18598194	0.16350962	-0.921565	-0.69127345	0.82552326	-0.23300758	0.39432648	-0.5974915	0.53318757	-0.11639162	-0.13978913	-0.28925356	-0.016033087	0.20171936	0.67416954	0.05754579	-0.38479015	0.6766652	-0.52800137	0.28212434	-0.5654213	0.4554015	-0.7292454	-0.54537344	-0.25525254	0.77317476	-0.99986744	-0.39656332	-0.75498503	0.86341435	0.27909487	-0.18319222	0.47945568	0.33755562	0.78807425	0.54960436	-0.47433877	-0.31509265	-0.43088531	-0.43204445	-0.5484705	-0.40824506	-0.8905984	-0.29937103	-0.19853833	0.78602266	-0.1760775	0.115360804	-0.6291248	-0.11618863	-0.7952075	0.93780905	0.6963978	0.04471811	-0.9999451	0.11267092	-0.3960813	-0.07236538	-0.4583918	0.5969176	-0.36755505	-0.25290567	-0.2168638	-0.24597122	0.17553692	0.10351441	-0.3647557	0.6480307	-0.13415316	-0.931493	0.38511446	-0.1543018	0.69877875	0.6166424	-0.36721918	-0.7441445	0.7085101	-0.22286752	0.075740926	-0.11033784	0.6975289	-0.20774457	0.5953092	-0.43703923	0.39011973	0.8954274	-0.11376203	0.17083329	-0.53543967	0.23246764	-0.76033103	0.21928251	0.6530563	0.51008326	0.26812038	0.83558846	-0.7001624	-0.6048536	0.71339345	0.34619257	-0.44974458	0.1267106	-0.22809759	0.4257585	0.4008844	-0.28733498	0.26844263	0.29201236	0.29152304	0.005557129	0.87512195	-0.6893321	-0.33456808	0.60775596	0.48193875	0.11330744	0.9962065	-0.5806008	-0.7309476	-0.08142797	-0.5559732	0.3033781	0.7106657	0.06055981	0.70871955	-0.1161015	0.96939206	-0.6663164	-0.49843436	-0.025735337	0.2531414	-0.0695079	-0.8868694	-0.99903154	-0.37153333	0.70252526	0.2089808	-0.10056706	-0.12861672	0.92710763	-0.25215963	0.99999964	0.0058503	0.32822204	-0.8631912	-0.8630774	0.6371204	-0.41285583	-0.419241	0.48975787	0.8955389	-0.99564743	0.445158	0.8854051	-0.43824646	0.81475	0.6242506	0.57389843	-0.34492168	-0.9716735	-0.09319457	-0.25330916	-0.14061114	0.9846181	0.52869624	0.55971694	0.11997598	-0.17872691	-0.52050185	0.69596523	-0.39918938	-0.21755512	0.29128495	0.28540567	0.14623466	-0.20021956	0.5591553	-0.7989968	0.27698615	0.2914736	-0.95876163	0.14844634	0.6945439	0.38603953	-0.5521914	0.42300788	-0.00571692	-0.07773394	0.73268455	-0.5749041	-0.401731	0.77789694	-0.58421826	0.7713613	-0.97838026	-0.23478043	0.6538835	0.24110466	-0.1311516	0.017268596	-0.7226715	-0.06900729	0.9994757	0.20886153	0.47086436	-0.3728881	0.090479426	-0.13699605	-0.14821573	0.46978462	-0.46636873	0.46096417	0.008087898	0.6740615	-0.18139957	0.13850941	-0.0976903	0.06266626	-0.78633493	-0.4320561	-0.9984691	-0.84224194	-0.24247031	-0.85953456	-0.30717623	0.20204094	0.023285225	-0.72254586	0.32382137	-0.06699945	0.26278374	-0.65886605	0.08558887	-0.29073387	0.36376044	-0.10887273	-0.18898554	0.8394305	0.7981439	0.53833944	-0.69032884	-0.18960069	0.76550436	-0.83780223	0.74071836	0.99890816	0.6431978	0.6202576	-0.2631807	-0.08251117	0.14251201	0.36452797	0.4634803	0.15068832	-0.7879948	-0.39105844	-0.4133173	0.5841551	0.49114242	0.2025067	-0.63970524	0.8890751	0.18421534	-0.9393413	-0.822021	0.998765	-0.03912965	0.045793843	-0.982462	-0.61862767	-0.903138	-0.01726784	-0.054220412	0.3497585	0.14502954	0.3898787	0.879721	0.3757158	0.42649046	-0.38413805	0.00036102	0.1927017	0.3750245	-0.9999209	1.0000001	0.48334578	0.22154771	-0.05687944	-0.11906569	0.5164434	0.35236722	-0.737917	-0.48944852	-0.23046632	0.26094484	-0.73543304	-0.29206964	-0.5481412	0.17232159	-0.31440696	0.5741546	-0.44908625	0.869353	-0.9989436	-0.21933812	0.6477994	0.12314598	-0.21624252	-0.8984081	0.9764091	0.71317613	0.7004725	0.48469952	0.6837422	0.24655667	-0.62342954	0.972357	0.27026302	0.47623286	0.21729845	-0.74876106	0.43542486	0.68042153	0.25576705	-0.6099392	-0.35637838	0.8978036	-0.7175099	0.4334896	0.63733923	-0.037426796	0.18420729	0.606789	-0.16904446	0.24761888	-0.51276505	-0.2556712	-0.28427932	0.9989746	-0.6426139	0.06902771	-0.3550806	-0.08538853	-0.8277678	0.99998695	-0.41254163	0.3100918	0.77930146	-0.3097896	0.38915253	0.07066718	-0.99917585	-0.19530551	-0.7684873	-0.72618145	-0.23385487	-0.3655734
470	0	CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	0.09361969	0.21149887	-0.36143476	0.25354192	0.16330509	-0.5500937	-0.5498351	0.15618823	0.041751258	0.39971378	-0.007850146	0.7689813	-0.40294236	0.8229715	0.38513035	-0.77866006	-0.35377917	0.3824303	0.43904024	0.29419553	0.56233454	0.39392647	0.14772683	0.54837316	0.08138701	-0.6521276	0.21583177	0.16317007	-0.38602585	-0.5765236	-0.3574733	0.48094806	-0.116815835	0.16104123	0.025693193	-0.5531231	0.18408532	0.72001785	0.99858576	-0.5200985	-0.9587968	-0.1367089	-0.44973665	0.23131241	-0.29017055	-0.5165434	0.10121955	0.37211776	0.742655	0.47869492	0.70763016	0.4997805	-0.722358	-0.11925745	-0.5503597	0.03424319	-0.802438	-0.3744345	0.58360857	0.33471456	-0.08913149	0.6767736	0.35652995	0.5102356	-0.16298705	0.8426736	0.55274606	0.03127377	-0.11443776	-0.26097834	-0.43148625	-0.33074623	-0.17548561	-0.8302707	0.40492862	-0.6214279	-0.6523051	0.3003935	-0.44099644	-0.99851584	0.62935346	-0.34222272	-0.9622677	-0.44753042	0.3025737	-0.9629958	-0.41260204	0.49865282	-0.67400163	-0.002194744	-0.56527185	0.022596708	-0.17414042	0.42105448	0.99785525	-0.4859068	0.88925624	-0.35438424	-0.19997312	0.17609626	0.40362582	-0.39320245	-0.06357343	0.84427637	-0.98553485	-0.84496933	0.18947518	-0.23161967	0.982921	0.17172323	0.29987714	-0.47268343	-0.46345422	-0.44607198	0.58501905	0.37268957	0.2154475	0.5683037	0.98980254	0.00279139	0.12860239	-0.078679025	0.04720529	-0.23512658	-0.6900794	0.1696375	0.07478619	-0.7721037	-0.3055302	0.99993074	-0.49191025	0.067073	0.6707944	-0.13406236	-0.003233948	-0.9955612	0.3412094	0.44181696	-0.6215888	0.010666127	-0.99962693	-0.13215843	0.7960171	-0.42190006	0.10852495	-0.4256954	-0.6955936	-0.31606376	-0.7016591	0.22823715	0.1270606	-0.34106648	-0.26307034	-0.5527437	-0.4700456	0.11801788	-0.5768609	0.15921974	-0.91057587	-0.8332011	-0.7568662	0.003274492	0.09328158	-0.10047584	-0.03140481	0.4225349	-0.67677134	-0.12131607	0.39395723	0.5109339	-0.35797936	-0.113239	-0.44561636	0.001606483	0.5826221	-0.89682394	-0.74208957	0.011701144	-0.7327185	0.28271165	0.26128742	-0.9247705	-0.7293242	-0.5156036	-0.2113301	0.04221073	0.5406518	0.2676552	-0.42378017	-0.33248776	-0.23408575	0.44575205	-0.4781923	-0.14322898	-0.7034017	0.096287	0.586889	0.24436739	0.062084112	0.8176735	-0.31501278	-0.43990245	-0.30588728	0.023301022	-0.081566595	-0.78859866	0.5213475	-0.80495745	-0.30257702	-0.9996066	-0.031448122	-0.24014889	-0.0824483	0.11988957	-0.10427968	0.6578882	-0.26964664	0.24952772	-0.3266328	-0.5172285	-0.060534015	-0.6140243	-0.263805	0.45295987	-0.95335877	-0.19318004	-0.004518283	0.6218273	-0.008131493	0.23770991	-0.73059815	0.25043717	0.3393505	-0.16384879	0.10264139	0.21964043	0.012599804	0.08418965	-0.066733025	-0.6477663	0.85048497	0.17921087	0.57243145	-0.52679026	0.47192168	-0.4897812	0.2392126	0.13451299	-0.020611705	0.20086342	-0.32650977	-0.9757547	0.15316479	0.31896356	-0.25513074	0.11611309	0.1304486	0.30067238	-0.31768435	-0.38522393	0.28248334	0.38952598	0.008656066	-0.30023542	0.39277834	-0.40834603	-0.32266784	0.08291601	0.6433948	0.1346625	0.119398475	0.95853347	0.38475674	-0.15439986	-0.6000465	-0.33537275	0.07679131	-0.3217859	-0.590973	-0.009329561	-0.119800605	0.99677646	-0.37498158	0.58960474	-0.56411487	0.3123907	0.39928392	0.90670943	0.9561216	0.05303997	-0.66072845	0.9136194	0.27639717	0.54390347	-0.009984906	-0.35118237	0.99992	-0.99665034	-0.49135438	0.68565476	0.29738355	0.32037652	-0.81071466	0.556906	-0.06351455	-0.4824207	-0.92324287	0.51114446	0.66959566	-0.15840839	0.4401414	-0.23779894	-0.30178317	-0.5972585	-0.005410655	0.08326186	0.35501823	0.48674414	-0.999947	-0.050337423	0.10369486	-0.5407694	0.8060073	-0.9003937	-0.33034694	-0.23469603	0.5359647	-0.9629007	-0.25828782	-0.41807133	0.007208359	-0.53543013	0.2325007	-0.09239975	-0.25025862	0.7999476	0.20635201	0.39541018	0.04424832	0.6135616	0.48243174	0.54219383	-0.38704944	-0.3182842	0.44410282	0.10109726	0.52414864	0.47897875	-0.3971333	-0.71670985	-0.9512309	0.42502466	-0.30643103	-0.20906447	-0.5586015	0.76580745	0.33536407	0.99975777	0.54883707	-0.19843177	-0.46616307	0.026681103	0.41417745	-0.5654619	-0.8868424	0.18123765	0.18651162	-0.661084	0.13574237	0.22767459	-0.36360216	0.16336098	0.36985475	-0.06088907	-0.25896257	0.99766845	-0.033388413	0.05629875	-0.30481115	0.15024696	-0.10000372	-0.30190971	-0.09800689	-0.51380646	-0.45709696	-0.58213156	0.17476422	0.011987261	-0.52504015	0.6846268	-0.6563356	-0.47155353	-0.08009408	-0.4835417	0.3491387	-0.25598282	-0.003003014	-0.44854426	-0.1181365	-0.24102098	0.5172889	-0.4385022	0.03652386	0.08454631	0.136728	-0.7018851	-0.3382621	0.95132136	0.42537844	0.003733149	0.010494822	0.6957581	0.4545124	0.63176197	0.6391034	-0.03324078	0.99999964	-0.15352714	-0.98155826	-0.22970928	0.9997487	-0.2060639	-0.73262167	-0.9999291	-0.21080819	-0.67432576	0.586666	0.4081948	0.19200192	0.36275223	-0.3956503	-0.71276194	0.09364246	0.5033407	0.12851828	-0.2160127	0.560567	-0.3040535	-0.9999609	0.9961627	-0.47984686	0.38216048	0.19451015	-0.26368618	-0.5719684	-0.6924088	-0.42960298	-0.6289907	-0.59142107	0.58190167	-0.9519519	0.21275367	0.058949262	-0.6069458	0.10746286	0.67000645	0.5718428	0.61109525	-0.99986804	-0.25912964	-0.07407582	-0.13001226	0.11181003	-0.22410761	-0.91455257	0.86447513	-0.038667027	-0.432427	-0.34304565	-0.47983515	-0.28965205	0.9819808	-0.2527195	0.7802658	0.04293495	0.5459018	-0.6416001	0.050308906	-0.1930049	-0.64237934	-0.4649679	-0.4658458	-0.025494603	0.5760617	-0.095758155	0.7479746	-0.32219943	-0.44683066	0.41332233	0.82680696	-0.62940556	0.26976383	-0.20440339	0.9878044	0.5471707	0.72068983	-0.23054022	0.19929884	-0.16641407	0.99950725	0.8069862	-0.13087493	-0.7335943	0.4113261	-0.65650463	-0.60183984	-0.97695464	-0.31878936	-0.17645723	0.29792556	0.5297873	-0.576419
471	0	CN(C)C1C(O)=C(C(N)=O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12	0.5442673	0.08873522	0.7064097	0.15726833	0.10313543	0.43060115	0.41104725	-0.071444735	-0.27956387	-0.2233112	-0.2272813	-0.1010512	0.35864076	0.46346954	0.075623885	0.7781703	-0.6117038	-0.8172918	-0.40185684	-0.49021533	-0.006807914	-0.117450505	0.5457527	-0.22142775	0.451012	0.42514014	-0.10454489	-0.52530545	0.66917175	0.6393431	-0.7534236	-0.58998936	-0.22863925	-0.15500702	-0.19046813	-0.48374084	-0.29961148	-0.18470708	0.9999245	0.8145481	0.9693995	0.6898831	0.34088778	-0.77064717	0.29829904	0.9866233	0.28256077	0.026509885	-0.7552182	0.051219873	-0.37735623	0.023967905	0.0999583	0.3105164	0.7960623	0.4186246	-0.21147627	-0.99635816	-0.09455189	-0.6798456	-0.05806057	-0.20149489	-0.5140951	0.13797033	0.50456125	-0.128667	0.2974931	-0.72710836	0.18568252	-0.017476838	-0.98601913	-0.99846137	0.5824905	0.6699077	-0.7533384	0.5180041	-0.2287182	-0.5707845	-0.2856869	-0.9857335	-0.99177665	-0.015331884	-0.9460585	-0.3467698	-0.16866706	0.57603157	0.1861607	-0.7928416	0.21244715	0.7925658	-0.86070085	0.64238465	0.2745533	0.17210884	0.9999689	0.09885848	-0.96968114	-0.56116056	0.570121	0.14340962	-0.4348562	-0.023909222	0.17240766	-0.23300847	-0.9999823	0.33417234	0.32438216	0.38880193	-1	-0.7833175	-0.7325309	0.10904255	-0.8740286	-0.39268377	0.85196924	0.5490947	-0.0437927	-0.28099903	-0.22954518	-0.47805947	-0.52353925	-0.16132504	-0.604263	0.039014492	-0.11389174	-0.52919567	-0.49866334	0.3875663	-0.45258677	0.8318046	0.7424238	-0.3300716	0.0402958	0.010280462	-0.75048935	0.9925599	0.8730429	0.68237865	-0.21909796	-0.695091	-0.999998	0.12015291	-0.97493625	0.4148631	0.07825608	0.23939504	0.5584943	0.085573725	-0.99998826	-0.6942505	0.21736054	-0.54796016	0.6151031	0.21920443	0.54430896	-0.20183247	0.3080177	-0.9996405	-0.95035625	0.79505694	0.84284735	0.07776135	0.3830854	0.14950396	0.2761377	-0.23532137	-0.12062506	0.81697965	-0.3495714	0.007946978	-0.71255374	-0.21256071	-0.014099447	0.6718948	-0.5822404	0.29629722	0.44616774	-0.04752694	0.47048044	0.1277716	0.2352219	-0.99966437	-0.5401131	-0.46913984	0.99907225	0.6031322	-0.23815104	0.503771	-0.4458996	-0.26939273	0.96189314	0.47608653	-0.3928967	0.451864	0.44827506	-0.2809113	-0.38793215	0.9270408	-0.8038118	-0.6236054	-0.5130769	0.72380877	-0.14537132	-0.591241	-0.3957998	-0.5204453	0.5111809	0.9035984	0.8605913	-0.99981123	-0.4592793	-0.4984532	0.15581465	0.37982523	0.2886754	-0.16508628	-0.17668413	0.022888951	-0.511802	-0.18585075	0.7092985	-0.23904534	-0.3050313	0.50511754	1	-0.033476144	0.5180631	0.29191288	-0.48113465	-0.41894612	0.47720072	-0.31437403	0.70135784	-0.028835038	-0.73215157	0.18940565	-0.34536117	0.45965567	0.49053192	-0.6787969	0.72833705	0.46695387	-0.3539711	-0.45490256	-0.79269904	0.3371896	-0.5120273	0.10078962	-0.022454517	-0.9103086	-0.8319571	-0.538967	-0.0381431	0.22290033	-0.29617953	-0.86285716	-0.7888815	-0.4163462	-0.3856671	0.3898159	-0.54999876	-0.16356432	-0.044292416	-0.6090113	0.35689056	0.06889505	-0.06623305	0.052732825	-0.98556745	0.4583056	-0.17331582	0.9999453	0.74848855	-0.7774805	0.19694756	-0.24040398	0.5819726	0.7406262	0.67310363	-0.827037	0.50189364	-0.5268709	-0.52302337	-0.9599461	-0.02167665	-0.7808936	-0.7682149	-0.99493873	-0.9999757	-0.160698	0.18264095	-0.98394436	-0.21079616	0.86534667	-0.018972656	0.31412858	0.9999993	0.8454738	-0.49906203	-0.7817707	-0.24253327	-0.2303702	-0.17438972	-0.327659	-0.4876173	-0.9096155	-0.9995871	-0.037347093	-0.06690701	-0.4182615	0.28287604	-0.14855549	-0.13636209	-0.40582862	-0.9665158	-0.42955333	0.41513056	0.0912868	1	0.07689233	0.32323626	0.88407224	0.32885522	0.43179724	-0.7934189	0.064206176	-0.95634675	0.9177831	-0.038281444	0.41821387	0.16093573	-0.4026538	0.6436869	0.43525276	0.5329451	-0.98115915	-0.56371236	-0.12923422	-0.6124482	0.048639394	-0.7895105	0.21195263	0.70678544	-0.7274105	0.06604569	-0.65762067	-0.1219124	-0.44520193	0.8006951	-0.9974326	0.9840875	-0.17150973	0.8859027	-0.17063992	0.30889904	0.38411975	-0.39299273	0.99844694	0.07346215	0.9675704	0.21054082	0.66761774	-0.636476	0.039491497	-0.6013606	-0.56079453	0.14489025	0.9679299	-0.022003453	0.07897667	0.28579816	0.18584229	0.9292618	-0.95685804	0.015629886	-0.9999784	0.7740351	0.4675831	0.2736026	-0.7808501	-0.5050585	0.2872372	-0.86153847	-0.074075796	0.45585728	-0.27842516	-0.62263954	-0.43836993	-0.31940347	-0.21489923	0.84319973	-0.67673045	0.5251297	0.10007435	0.27845353	-0.44623	-0.43323573	0.77447087	0.7107405	0.9272087	0.99972725	-0.33309865	-0.7337529	-0.8353367	0.092549555	0.6737139	-0.36992434	-0.76559734	0.054860875	-0.4048116	-0.69051045	0.16288222	-0.8139572	-0.21782802	0.27435938	0.21881063	-1	0.56835985	-0.9858334	-0.8407681	0.9997505	-0.51005656	-0.23060438	0.8576084	-0.0726675	0.58647156	0.08955662	-0.22657727	-0.4832829	0.09015303	0.3609784	0.30422595	-0.6016723	0.5389499	-0.23871762	0.19589931	0.5243627	0.5484532	-0.99621195	1	0.93235415	0.42999113	0.5699215	0.91758204	0.22275661	-0.7426701	-0.6083394	0.008337115	-0.5365285	0.66666317	-0.23965986	0.23437323	-0.6962072	0.045580182	-0.26694003	-0.004720455	-0.35377845	0.9921484	-0.93827844	0.01426415	0.63585037	-0.7789927	0.16561536	0.13035856	0.9983457	0.70480937	-0.58954275	0.477173	0.27504593	0.50200963	0.6286608	0.75773966	0.34305784	-0.8135699	0.28137648	-0.06637955	-0.63382983	-0.8510867	-0.12962529	0.76931375	-0.7195665	0.9113909	-0.99996156	0.49642098	-0.85900724	0.17285366	0.71346307	0.8550928	0.11505766	0.17057519	0.60056245	-0.15366812	-0.42148253	0.99924076	0.000856617	0.09493934	0.65475774	-0.18687464	0.6390649	0.99990684	-0.9130746	-0.2671887	-0.11511649	0.6502182	0.1976928	-0.6794305	-0.99944556	-0.75683445	-0.50230616	0.4360972	0.84851694	-0.64906704
472	1	Cc1cc(CCN2CCN(c3nsc4ccccc34)CC2)cc2c1NC(=O)CC2(C)C	-0.56333286	0.32617164	0.56049883	0.36776748	-0.28647745	0.2054098	0.63099885	0.15507592	0.55594623	0.25212052	-0.5810149	0.6106313	0.5756517	0.4934569	-0.67012167	-0.05255777	-0.2657031	-0.20287594	0.2603754	-0.62365115	0.39879555	-0.2663211	-0.64230305	-0.50421256	0.64508265	-0.22633988	-0.024283664	0.2457947	0.16956589	0.061932515	0.5894805	-0.016831983	-0.15758643	0.28126335	-0.79717076	0.258148	0.8968434	0.29478666	0.9997227	-0.65640736	-0.8020029	-0.29644004	0.48033383	-0.04843764	0.10863103	0.8673294	-0.7247691	-0.45224643	0.6924527	-0.7777195	-0.25096887	0.025207296	0.61355275	-0.78445023	0.49543417	0.002134626	0.10669312	-0.9284339	0.48548263	0.05242939	0.055723317	0.0000639	0.016768822	0.71214056	0.3067503	0.40616664	-0.49406138	-0.29866496	-0.20354316	0.8325289	-0.99027705	-0.60078114	-0.35901716	-0.57553464	0.60535544	-0.71943176	0.197217	-0.10823919	0.5572895	-0.99931246	-0.61519134	0.66611814	-0.93244344	-0.16169901	0.27777436	-0.9756514	0.000503666	-0.11480661	0.17955026	0.5061811	-0.49630368	-0.2864539	-0.47506464	-0.6031924	0.9983279	-0.025926586	0.62134314	0.1393758	0.56347924	-0.5296225	-0.2824387	0.6535548	0.4174065	0.99324197	-0.99964803	-0.53261054	-0.20981975	0.31739447	-0.9732978	0.4826304	0.078480184	0.79282796	0.25967368	-0.47530496	-0.029210724	-0.42383727	0.058986668	-0.11879476	0.46277958	0.8052326	0.15470831	-0.28572413	0.054138932	-0.56419176	-0.08199471	0.659317	0.27042133	0.5790045	-0.7782912	0.99985397	-0.29084256	0.36980438	0.376979	-0.7361214	-0.44173762	-0.99175215	-0.11114036	0.2174125	0.4318347	0.13028955	-0.9999999	0.38478938	0.15304738	-0.3331609	0.53941613	-0.10441508	-0.78104514	0.26468965	-0.99888915	0.22082756	-0.43925875	0.79861355	0.5846615	0.46048155	0.059759915	0.4759054	-0.3600472	-0.98266524	-0.43524566	0.06756909	0.49115202	0.35143575	0.5230883	-0.12863274	0.93469197	0.6536518	0.7878963	-0.12913042	-0.128881	0.061999634	-0.053878166	-0.62619406	0.73361063	-0.046654753	0.46523458	-0.6713987	0.2874121	0.33136776	-0.75487304	0.13032474	-0.113493726	-0.33818737	0.32295355	-0.6254725	0.62723094	-0.21391802	-0.1277707	-0.5006714	-0.39329654	0.045093853	-0.031891093	0.5193588	-0.40541488	0.010775999	0.14654751	-0.5212204	-0.19966628	-0.85846716	0.12605195	-0.16154668	0.31439584	-0.3765479	0.13986403	0.43695983	-0.22446357	-0.45535463	-0.43462643	-0.86381	-0.3894658	-0.9998867	0.20420353	0.7738423	-0.41161263	0.305266	0.54597986	-0.6718285	-0.35847682	-0.6101203	-0.19428062	0.066952884	-0.3532178	-0.3151325	-0.34398898	-0.28053984	-0.98776823	-0.7645966	-0.46473196	-0.20304382	0.020975564	-0.33478814	0.23572424	0.10234953	-0.023196569	-0.2858408	-0.1589719	0.13650192	0.14600553	0.3844665	0.29299828	-0.16465619	0.7589348	0.1915737	0.4484093	0.16753565	-0.24288332	-0.436129	0.33181328	-0.15179892	0.20822044	-0.023177199	-0.30243826	0.7183273	-0.3558729	-0.15319806	0.29334238	0.118330404	0.7751145	-0.50912386	0.28743625	-0.31586367	-0.5971551	0.13389687	-0.6499706	0.6261599	-0.41885048	0.09158684	0.20182493	-0.1903266	0.84155226	-0.11762931	0.5018932	0.9993637	-0.4547656	0.23477982	-0.7609462	-0.3131952	-0.097461134	0.0709645	-0.6354106	0.24893658	-0.3166247	0.9263235	-0.09742977	0.061132446	-0.01671434	-0.1814263	0.2543214	0.7812951	-0.640356	0.65972084	-0.13450347	-0.6799794	0.2136871	-0.76495063	-0.02669382	0.43650058	1	-0.9882056	0.54044765	0.4686568	0.15005681	-0.3365255	0.060435414	-0.74516195	0.27447635	-0.79703957	-0.999411	-0.18757649	0.847615	-0.4977058	0.29720646	-0.73656744	0.3764142	-0.5571045	0.77733594	-0.004372529	0.72480154	-0.029107295	-0.97751534	0.3399536	0.2931475	-0.39594412	-0.49948138	-0.62335587	0.44278687	0.24364606	0.028045665	-0.8946135	-0.32612193	-0.057055976	0.29753694	0.12319375	0.7364395	0.07293581	-0.06942456	0.79654896	-0.53872734	0.3064167	-0.20672214	-0.17873128	0.14408852	-0.40364027	0.42271173	-0.67881227	-0.15344824	0.8271541	-0.03733817	0.32000816	0.6510158	-0.99111235	-0.1772088	0.36057073	-0.59422916	0.44414347	0.71058685	-0.7571918	0.1704978	0.9995056	-0.870422	-0.77804697	-0.35902786	0.049598195	0.52667034	0.17866313	-0.8293109	0.55739963	0.66864246	0.19962263	0.1227299	-0.15250377	-0.5389347	-0.123402685	-0.43863377	-0.8452089	0.18151008	-1	0.001612178	-0.3893754	0.3138495	-0.5440652	0.7667313	-0.4936015	0.6465718	0.14514561	-0.4109279	0.28815097	-0.46913606	0.19933306	-0.14241947	-0.9355814	-0.07618814	-0.39685348	-0.41065586	-0.21635608	-0.85581946	0.78413975	-0.49516657	-0.08106421	-0.8453519	-0.74686325	0.86410475	-0.2403736	-0.44097942	-0.42683622	-0.73355633	-0.27819553	-0.4842571	-0.3277002	-0.14402522	0.59496206	0.6004195	-0.33521762	0.023966484	-0.69707227	0.38017035	-0.66441625	0.9999348	0.45575264	-0.9798769	0.68564266	0.9968633	-0.035756152	0.038432706	-0.99910396	0.39962146	-0.9758557	-0.44603094	0.027978973	0.3037221	-0.6686642	-0.018075164	-0.70641965	-0.18492249	0.060881432	0.82039624	-0.6262338	0.4186472	-0.27236646	-0.9995883	1	0.9235558	0.43426034	0.104716584	-0.5795639	-0.48346502	-0.39380857	0.16092215	0.8899217	0.027330553	-0.15240104	-0.036509056	-0.6782483	0.057597823	-0.19279341	0.13064618	0.16757771	0.06652979	0.9879312	-0.9952182	0.61454505	0.5744218	0.8044224	-0.27140442	0.53007877	-0.8707907	-0.09119065	-0.22177704	-0.35450938	-0.40448353	-0.35701323	-0.31863192	0.9760614	-0.35955468	0.91860616	-0.008891133	0.47470775	0.50381213	0.3359142	0.070719	0.2861766	-0.22903553	-0.6390844	-0.3467697	-0.25207847	0.1385939	0.869664	0.43636632	0.11175974	-0.4560718	-0.41863796	-0.031505007	0.42390215	0.4576038	0.99962974	-0.34878778	0.33456078	0.29047024	-0.515485	-0.14061299	0.99995214	0.3961841	-0.33081228	-0.55459136	0.20759813	0.6108756	0.47522673	-0.9992634	0.1220653	0.32256985	0.40417793	0.01747547	-0.31585565
473	0	Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1ccn2CCC(=O)O	-0.48027918	0.44582316	-0.67212623	-0.31708443	0.039147884	-0.7289549	-0.22053616	0.31074613	0.021649754	0.43485105	-0.18538967	0.4044196	0.18026538	-0.23926473	-0.47599334	0.75900245	-0.6359943	0.47723374	0.2814649	-0.32604674	0.42584464	-0.04058705	-0.2813681	0.38332668	-0.73393995	-0.28020614	0.5914629	0.43285075	0.20143355	0.30541658	0.6338871	-0.07916419	0.023268268	-0.09670931	0.1592088	-0.5119057	-0.3280452	0.17815144	0.9996219	-0.60068333	-0.7968129	0.018560698	-0.2247292	-0.02951217	-0.48911393	0.6248369	-0.54119897	-0.18101533	0.29062897	-0.3236494	0.17466792	0.60383826	0.6731029	0.33216923	-0.079999745	-0.111214764	0.5925899	-0.69424784	-0.40936103	0.3355338	-0.2903691	0.75250983	-0.38704866	-0.2707675	-0.5443072	0.39511913	-0.15363504	-0.6281864	-0.44742414	0.43920204	-0.9788062	-0.44829965	-0.10594202	-0.8632074	0.2768783	0.32468918	-0.17412232	-0.22330639	-0.3071641	-0.99982387	0.1750254	0.09325777	-0.9703721	-0.4239693	0.64794475	-0.97166026	-0.49887648	0.68167585	-0.55071616	0.36513877	0.55878234	0.020739699	-0.7415059	0.58708507	0.9987141	-0.5632714	0.47225627	0.09746514	-0.25619835	0.3425506	0.33564174	0.7406888	-0.39706132	0.9921415	-0.99948	-0.54435086	-0.49753472	0.7241511	-0.9511445	-0.049298406	-0.67300653	0.47179282	0.6929258	-0.21086785	0.40811008	0.13084373	-0.08169158	0.40816405	0.79199916	0.62693024	-0.37514076	-0.43428004	-0.31695583	0.008245469	-0.6174642	-0.4827132	-0.17004463	-0.4034168	-0.12059029	0.9998272	-0.8221087	0.23595837	0.34477177	-0.31159967	0.2531733	-0.9882554	-0.6978947	-0.66601723	-0.032053635	-0.21374814	-0.9999992	-0.20046164	0.11720187	-0.7321653	-0.58016205	0.2957312	-0.027933054	0.25828305	-0.9945361	0.6111369	-0.17752953	-0.7364941	0.22845015	-0.54518366	-0.13276516	-0.45443362	-0.44959626	-0.9246738	-0.3135083	-0.92728734	-0.117669106	-0.31433985	-0.40531713	0.27134982	-0.26818064	-0.35267466	0.04466849	-0.6023605	-0.6727227	0.11819462	0.4253333	-0.52824014	0.2837169	-0.110309795	0.22846171	-0.8462755	-0.64518905	0.32595992	-0.5500843	-0.28566515	0.07674662	-0.9084343	0.7028108	-0.22391737	0.51400894	0.081491776	0.05590334	0.25820655	0.35334325	0.46298042	-0.6530546	0.24326207	-0.35564268	-0.060099874	0.028373491	0.061637286	0.116509564	-0.38926634	-0.10627108	0.47069076	0.83212954	-0.6561536	0.41252485	0.2190145	0.48592865	0.20668983	0.06091786	-0.59228706	0.02127188	-0.99997723	0.10563747	0.54578966	0.40555266	0.02761708	0.19917504	-0.80613834	-0.6527962	0.5210915	-0.16924989	0.76772964	-0.26065284	0.5685578	-0.27050552	-0.40370256	0.9708358	-0.17735335	-0.33334813	-0.294395	0.42374873	0.7388673	0.6369024	0.67943776	0.05778275	-0.35659954	0.46142042	0.68048245	0.6501205	0.3327002	-0.31309465	-0.7628998	0.9513267	0.18455715	-0.21559441	-0.43633974	0.47150734	-0.3244748	0.57142264	0.09926911	0.17388347	0.5346324	0.2939322	-0.025320346	0.029070739	-0.018899962	0.27946696	-0.11080692	-0.38758203	0.72769105	-0.080393754	0.35921225	0.708816	0.35045278	-0.088578224	0.32611206	0.10103189	0.40049714	-0.46081764	-0.06649358	0.9554745	-0.76120335	0.6340452	0.98721576	-0.5335447	0.55062646	0.8072315	0.5745445	0.20642598	-0.56676126	-0.44775787	0.12540965	0.12371078	0.9804102	-0.35417905	0.69956994	-0.32356215	0.7459681	-0.050060455	0.78218544	0.488119	0.5195122	0.36959732	-0.10588489	0.39329615	-0.6620802	-0.03715078	0.6090791	0.99999976	-0.9852769	0.31297332	0.4786337	-0.6367055	-0.5130555	-0.7017335	-0.5396062	0.49698997	-0.48989618	-0.998452	0.5181625	0.8490784	-0.29427457	0.34135202	-0.46570748	0.28067818	0.11446022	-0.058103632	-0.081776	0.18490437	-0.6270564	-0.97959423	-0.052076835	0.55061376	-0.03996199	-0.48105854	-0.63520133	0.024897575	0.7919267	0.37395468	-0.9104697	-0.13188604	0.51375324	0.38935	0.5243502	0.58704853	-0.17728283	-0.45115095	0.7805964	0.32905734	0.102195084	0.2772005	0.27021757	0.40134797	-0.40695578	0.6086435	0.11757894	0.40189725	0.29904646	0.75359225	0.3936835	0.42305115	-0.9637704	-0.7843649	0.34167397	-0.66831344	0.15872656	0.34790632	0.6812982	0.24792095	0.99914366	-0.31830472	-0.77981454	-0.65408474	-0.24667855	-0.08440949	0.5660935	-0.66786045	-0.5613692	-0.5467832	-0.40325004	0.55452406	-0.53120804	0.048628464	-0.5633075	0.18644014	-0.8204972	-0.36307025	-0.99999964	-0.4998902	-0.32453558	0.59425116	-0.16709104	0.33053365	-0.6996714	0.79652405	0.46599674	0.08811504	0.09564754	0.05177613	0.588358	-0.010083577	0.54697585	0.02175628	-0.6500161	-0.8024422	-0.5044042	0.4399951	0.13022514	0.6702604	-0.3198389	-0.77726185	0.009317761	0.89980215	0.2505824	0.46084765	-0.31359267	-0.54268223	0.48624432	-0.042470872	-0.7870593	-0.50009185	0.3493112	-0.25268227	-0.55246454	0.2729195	-0.67275345	-0.08388717	-0.004697898	0.9999501	0.25172406	-0.9785607	0.18037784	0.9895676	-0.19383174	0.29161754	-0.99909467	-0.2496056	-0.847927	-0.8410714	0.0584942	-0.43917045	-0.36441323	-0.52229434	-0.4401908	-0.45080453	-0.059783682	0.55705804	-0.5857768	0.011212327	-0.37348157	-0.99978966	1	0.77395564	0.76825124	-0.46493754	0.3412722	0.016827432	-0.26750654	0.59385353	0.08210668	0.67084146	0.2076306	-0.49211663	-0.49597275	0.24536623	-0.43060157	-0.3946222	-0.37417462	0.41740295	0.9703204	-0.99861294	-0.25583497	0.002774478	0.047733683	-0.40371734	0.5612731	-0.8171482	0.7301279	0.06953768	-0.5679959	-0.16736245	-0.09536306	-0.5807291	0.99451816	0.29635933	0.72198653	0.04698415	-0.20423263	0.12869468	-0.24732478	0.037503783	0.6373291	0.13589327	0.27024654	0.10417766	-0.0451604	-0.175822	0.42800578	0.111788526	0.28047147	-0.6502908	0.28258038	-0.17222494	-0.002046612	0.70464903	0.99961716	0.8527044	0.020006813	0.044065833	0.052055374	0.40993807	0.99997497	0.56127393	-0.67702717	-0.50141025	0.015140117	0.119279236	0.48562157	-0.99908435	0.21262829	0.742502	-0.60512495	0.15712799	0.657122
474	0	O=C(NC1CN2CCC1CC2)c1ccc2c(c1)OCCO2	-0.49958554	-0.041967914	-0.044586238	-0.523961	-0.3794015	-0.45903546	0.3528744	0.2444356	-0.16656424	0.6152724	0.19373372	0.05030126	-0.32077798	-0.26157367	-0.3677063	0.87604827	-0.05111586	-0.23705518	0.56017876	-0.07670996	-0.29294378	-0.5137234	0.15493168	-0.03287789	0.07819722	-0.24060352	-0.5279349	-0.74697185	-0.2502265	-0.19851544	0.02654293	-0.32956415	-0.23942448	-0.014511529	-0.7089693	0.24559285	0.22259387	0.41565114	0.99390733	-0.6778794	-0.9929925	-0.025824515	0.54642135	0.19128802	-0.1851941	-0.88264424	0.20412251	0.16152908	0.330475	-0.03635147	0.26880297	-0.62033826	0.49718958	0.3673337	0.003184829	-0.161599	0.004002681	0.110924885	-0.039460685	0.61849916	0.07495128	-0.49936566	-0.05559628	0.11549731	0.3060844	-0.25907427	-0.47216535	0.44108692	0.062453356	-0.17917532	-0.94892555	-0.9975256	0.20844178	0.616403	-0.4157971	0.23050404	-0.64345145	0.08896043	0.31907701	-0.999721	0.44257593	0.16391414	-0.84346926	-0.66953635	0.34351906	-0.2122277	0.32470098	-0.14162886	0.01100496	0.11314511	-0.4428154	-0.63561875	-0.0242182	-0.3247261	0.9976499	0.43411815	-0.18857484	0.24772894	0.24981636	0.15401699	-0.18710251	0.5243471	-0.41918203	0.98886013	-0.9183562	-0.7529898	0.23830326	-0.20563509	-0.94473815	-0.42745766	0.31061304	-0.050156206	0.01022076	0.0879647	0.042981457	0.807892	0.47617358	0.5124035	0.99529797	0.86751485	-0.41731912	-0.4620052	0.0717344	0.5285457	-0.12385308	0.45708358	0.5993175	0.6365361	0.029478824	0.9919477	-0.22044739	-0.009703215	-0.045251343	0.028148735	-0.01949133	-0.9895386	0.37849241	-0.31274715	0.6732333	0.6536453	-0.99999815	0.20338796	0.8166777	-0.73127115	0.6706737	0.021018239	-0.28700122	-0.3374429	-0.071747355	-0.5439401	-0.009137386	0.94138414	0.17257215	-0.40756375	-0.47089818	0.3239733	-0.031638544	0.7991469	0.25084972	0.47009954	-0.9280559	0.17391641	0.11355522	-0.061224427	0.19383878	0.051355246	-0.82879287	0.37610668	0.003352262	-0.3449276	0.5237632	-0.32631212	-0.119127706	-0.7048431	-0.5928946	-0.9224887	0.8836076	-0.03237669	-0.06564542	-0.4880749	-0.28749454	-0.70463705	0.12826292	-0.14665541	-0.1648095	-0.21800265	0.22385988	0.20723222	0.30255347	0.5701277	0.18499723	0.016805515	-0.5364829	-0.579575	-0.32159397	0.40258664	-0.31113505	-0.79792124	0.5931387	-0.56665915	-0.51625544	0.101470284	-0.093049265	0.29100478	0.26126435	0.5009141	0.006441406	-0.21593031	-0.11850822	-0.9997708	0.13329828	-0.15560545	0.4886253	-0.37882602	-0.40793982	0.32176518	0.034365136	-0.18852812	0.012615279	-0.24134664	-0.49024788	-0.4244474	-0.6820256	-0.09362671	-0.9756494	-0.36066326	-0.18661387	0.05072269	0.6963148	0.44350433	-0.082804345	0.7525154	0.07041455	-0.11541417	-0.7058866	0.41074014	0.09578711	0.10107964	-0.12889254	-0.21473068	0.88626397	0.28980047	0.28954133	-0.2673965	-0.34919667	0.06468042	0.3028072	0.038399838	0.4030578	0.28176528	0.07848203	0.05636393	-0.54114544	-0.4803032	0.58816314	-0.30345777	-0.17416617	-0.106643654	-0.074338585	-0.36771616	0.34707275	0.074138835	-0.56538516	0.47331512	0.43596452	-0.062045164	0.20172253	0.5765274	0.58258426	-0.33692876	-0.45947614	0.65147257	-0.25518084	-0.5200523	0.006634774	0.84455895	-0.46475452	-0.03262675	0.36895296	0.058123957	-0.34452018	0.99897534	0.42542818	0.46958935	0.14590245	-0.12110639	0.5046839	-0.27387917	-0.6903039	-0.10667536	0.2180196	0.98537105	-0.003597605	-0.70791787	-0.027954426	0.3782024	0.99999946	-0.855143	0.5074253	-0.37342846	0.042358823	0.79239076	0.7489236	0.035762887	-0.7324207	0.2596933	-0.76282734	0.35980102	0.7335707	0.43382564	-0.7537963	-0.072628155	-0.036790203	-0.31272197	0.61865234	-0.000136719	-0.36464792	-0.33894193	-0.9758574	-0.34989256	0.10216922	-0.3804749	0.5082485	-0.49319512	0.18041772	0.19538777	-0.3010215	-0.47879028	0.5221949	-0.009543031	0.16244538	0.72341406	-0.599316	-0.33452266	-0.03363616	-0.7937007	-0.5244677	0.3406455	0.14664371	-0.059260067	0.022610944	0.32772762	-0.012654883	0.37184644	0.030577963	0.6520678	0.3111779	-0.1278598	0.16383836	-0.3755908	-0.979908	-0.056918263	0.78656447	0.30673856	-0.21782775	-0.35008857	0.80552125	0.99979454	0.21701746	-0.4617785	0.11693151	0.25824597	0.46774903	0.29996368	0.02381233	-0.17781821	-0.4677975	-0.5475025	-0.15349367	-0.3057614	-0.38381663	-0.3064378	-0.29803854	0.29996654	0.46546984	-0.99999934	0.39726394	0.063284434	-0.22863573	0.035363007	0.33310357	-0.35782817	0.19985695	0.16835353	-0.2351503	0.30410266	0.59791166	-0.28958687	-0.15654536	-0.87591493	-0.27620664	0.46902063	0.25221008	0.14715388	0.24454	0.24841084	0.4178345	0.5246445	-0.11883144	-0.3942395	0.62642974	0.019396177	0.73217726	-0.09685784	-0.11145029	-0.5560868	-0.45462534	-0.6421296	0.40425244	-0.16939268	-0.08013604	0.35337317	0.23079579	-0.6381559	-0.1765495	0.3954729	0.99998057	0.14898656	-0.9576958	-0.10334745	0.99968636	-0.45984244	0.36554882	-0.99920076	0.18496561	-0.71020764	0.3480762	0.31760326	-0.46690547	0.42764023	-0.7346859	0.6485085	0.21847038	0.44101658	-0.37165752	0.18913713	-0.5279557	-0.2609238	-0.99997145	1	-0.55031085	-0.22002047	-0.072006755	0.46583793	-0.23778248	-0.17226227	-0.66700405	0.20832443	0.05118164	-0.22244582	-0.48733896	-0.15062936	-0.44191897	0.714646	0.033394597	0.40206048	-0.27800903	-0.3598611	-0.9999021	0.12937745	-0.4601555	0.24512884	-0.7635274	0.37786472	-0.8001389	-0.47750095	0.022379788	-0.3807903	0.16738455	-0.25071847	0.7456298	0.8155604	0.36636657	0.923253	0.3748257	0.1474091	0.15992858	-0.35144788	-0.5733826	-0.55962986	0.21460007	0.3372481	0.92424864	-0.22797464	-0.18681552	-0.55280745	0.15141563	-0.10149166	-0.34259155	-0.85077167	-0.73196936	-0.3970276	0.04090685	0.9773526	0.19135396	-0.29412752	-0.4271479	-0.51603985	-0.5094755	0.9999135	0.21750969	-0.49250528	-0.4903668	-0.56425047	0.25979903	0.5760219	-0.98529816	0.41048607	-0.42735136	-0.1369211	0.11881869	0.12221745
475	0	CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1	-0.6279714	-0.3790381	0.2915109	0.2630317	0.45027205	-0.6064874	-0.26169923	-0.27123237	-0.3337851	-0.84009284	-0.62278026	-0.2555896	-0.47958827	-0.58416945	0.046538897	-0.45599625	0.29341698	-0.15894483	0.21701077	0.24796149	0.18795724	-0.500185	-0.28125268	-0.5379372	-0.67216945	0.5580928	-0.054043952	0.60819954	0.25408748	0.51796734	0.21732609	-0.17581701	0.80699897	0.76658344	-0.34889594	0.7500295	0.01639852	0.35079044	0.9904398	-0.7995492	-0.5460069	0.14336024	0.4488611	-0.23006341	-0.24405184	-0.81584996	0.5369705	0.58971393	0.54027283	-0.16308454	0.4962072	0.07606299	-0.54169965	0.61249167	-0.77227026	-0.47826874	-0.28876185	0.2011196	0.30888572	0.2524154	0.090774916	-0.4188924	-0.03218073	0.206117	0.26229224	-0.305289	0.61251956	0.34453925	-0.6360366	0.41525447	-0.79373276	-0.94519055	-0.48544124	0.075139664	-0.25640836	-0.48206976	0.26186326	-0.27862772	-0.5346158	-0.99944836	0.407014	-0.4219472	-0.92700773	-0.26499364	-0.0740069	-0.8044035	0.10011107	-0.47122362	-0.61739546	-0.13497639	0.684854	0.74151856	0.28107527	0.21536587	0.9731187	-0.07552781	0.48145276	0.11212787	0.1190761	-0.12355153	0.32093608	-0.6218541	-0.41621456	0.9507585	-0.9400242	-0.7915785	0.5139214	0.74810725	-0.8022717	-0.3938433	0.09239406	0.16096875	-0.2835036	-0.32611424	-0.5171794	0.75968397	-0.019189928	-0.42184475	0.9960438	-0.03992403	-0.17936055	0.19600762	0.19083606	0.60245705	-0.4307281	-0.46644104	0.07651724	-0.40821558	-0.14953144	0.9996688	0.22637558	-0.3400598	-0.19324347	0.04448833	0.2542179	-0.9334059	-0.24467313	0.77135795	-0.22256386	-0.35329652	-0.999983	-0.14784102	0.9351654	0.010764975	0.18439327	0.2930654	0.08324874	-0.27069682	-0.11033909	-0.4501987	0.013021033	-0.7683341	0.23918568	0.37348092	0.06908302	-0.4883552	0.50274396	0.8519249	-0.72608155	0.11381668	-0.9253563	0.06768339	-0.5401171	-0.5590179	0.11047299	-0.6987448	0.0776922	0.5749433	0.19664578	-0.5931052	0.21677154	0.46553048	-0.17995544	-0.04084222	-0.45388034	-0.5395263	-0.68184847	0.49416712	-0.25193048	0.4666364	0.1797629	-0.46101892	0.13871571	0.35346383	0.3379251	0.46935174	0.70500237	0.3485377	0.38559818	-0.4583361	-0.5593585	-0.7521203	-0.52894497	0.41107252	0.51936114	0.04523562	0.6532169	-0.46210495	0.022077652	0.5551524	-0.24755774	0.16712222	0.27012277	-0.7039558	0.022127436	-0.0777158	0.22926483	0.013989233	-0.11367548	-0.99961	-0.24784923	0.5296822	0.5113967	0.4174448	0.4997892	0.53583956	-0.22296853	0.4963398	-0.08315868	-0.17581196	0.051429894	-0.72723943	0.66492426	-0.57630706	0.9577497	0.44429687	-0.41179517	-0.32767147	0.06425953	0.5025399	-0.036489088	-0.067247234	0.4343852	0.7149908	0.6308172	-0.46468163	0.42822745	-0.5182305	0.1624755	-0.3777677	0.9342092	0.41165486	0.6399274	-0.72605896	0.36246058	0.014257894	-0.3912433	-0.25703436	-0.028234662	-0.25788197	-0.2956951	-0.9688918	0.4037838	0.17864546	-0.13794404	-0.21067779	-0.29351792	-0.13257474	0.35704854	-0.20601098	0.09405132	0.15307084	-0.4642743	-0.103882134	-0.14271589	0.49248517	-0.6515316	-0.042838395	0.008919654	-0.12957421	-0.6436488	0.9888059	-0.5232671	0.70221883	-0.7209039	0.25583956	0.41449815	-0.5830463	0.051283915	-0.747221	0.6785005	0.9985603	0.3789901	0.2898125	0.09007883	-0.118841134	0.052941635	0.47456813	0.68631095	-0.6169837	0.23509039	0.98871505	-0.1636796	0.5052038	-0.047728676	-0.7462109	0.9999905	-0.97873056	-0.21581165	0.07922993	0.2502561	0.016919836	-0.31483456	0.06722975	0.7987842	0.28977987	-0.52949	-0.29982638	0.67251	0.3730132	-0.13531594	-0.49460998	-0.5435766	-0.07794259	0.7277562	-0.41265205	-0.45857492	-0.36398062	-0.96353096	0.015103435	-0.5787113	-0.67171925	0.033528063	-0.21938881	0.054257188	0.04745025	-0.000366574	-0.6179	-0.587639	0.043412976	-0.38725743	0.57374555	-0.6204851	0.08300364	0.16369867	0.23262817	0.35073748	0.5134752	-0.33328614	0.53595954	-0.21402897	-0.5312971	0.35042608	0.3780694	-0.05988001	0.08898532	-0.7411571	-0.15608947	-0.29061902	-0.33072177	-0.96129906	-0.39129087	0.3093137	0.23781437	-0.26624054	-0.1646257	0.028469007	0.9995633	-0.44444734	0.36262852	-0.17082271	-0.50430936	-0.6297083	0.29242864	-0.6060039	-0.4967365	0.5483229	-0.23732013	0.37783256	-0.19118643	-0.10387677	-0.29135692	-0.22715682	-0.36544836	0.65196544	0.99067056	-0.14049074	-0.75988597	0.2877887	-0.054599278	-0.16374415	-0.19911297	-0.7392094	-0.36994523	0.100643754	-0.3043517	0.27263474	0.43904147	-0.02828819	0.39477405	-0.1455123	0.5619035	0.5584392	-0.157384	0.4053139	-0.6868407	-0.22811858	-0.37056103	0.14150676	-0.41412076	-0.16177684	0.23641673	0.18831421	0.44132	0.42939067	0.15235555	-0.73381096	-0.21874018	-0.89838755	0.41369364	0.24216357	-0.3038761	0.49217856	0.36503637	0.10371607	0.43642297	0.99990416	-0.5566575	-0.9718498	-0.30137703	0.9993959	-0.7139081	0.013580497	-0.9984201	-0.52150977	-0.1457457	-0.4632732	-0.6154236	-0.4736218	-0.13166635	0.5607938	-0.17296393	-0.5547692	-0.32705784	-0.66058713	-0.6389388	-0.08051892	-0.48840296	-0.9999666	0.9976997	-0.74004984	-0.25756666	-0.45695478	0.1708274	0.8059828	-0.35954216	-0.41588634	-0.4316971	-0.4862785	0.1690498	-0.17451462	-0.3174363	-0.6138551	-0.26760224	-0.40210873	0.45822334	-0.5185774	-0.04695542	-0.9998922	-0.29889238	-0.4052558	-0.46250802	0.47004703	-0.67765814	-0.89369035	0.041319367	-0.70566285	-0.21450292	-0.2868518	-0.3493984	0.417349	0.9709847	0.013385342	0.6615363	-0.28242028	-0.17582168	0.24225004	-0.51420724	-0.5192068	-0.5925459	0.217742	-0.2837775	-0.29698086	-0.2657871	0.020276893	0.13233563	0.691066	-0.86841804	0.21415097	0.37147784	-0.6395284	-0.15248926	-0.77034426	0.96483725	0.39865845	0.36881915	0.1315926	0.033630285	0.36639988	0.9999713	0.31451574	-0.37106875	0.4086766	-0.12900156	0.273159	0.29499212	-0.9864463	-0.5557515	0.40936214	0.18856013	-0.27727285	-0.16825245
476	0	CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]	-0.37196773	0.4291351	-0.36104223	-0.33337474	0.36798486	-0.7757744	-0.35532686	0.49591768	0.35007524	0.35823005	-0.78474057	0.19668606	0.19482388	0.49271336	-0.5222666	-0.8499943	0.7530705	-0.059779156	0.091333605	0.38002083	0.51465774	0.22539599	0.80187124	0.7952991	-0.7266322	-0.03653921	-0.26875898	-0.1606198	-0.12412712	-0.7741752	-0.43410096	0.4388464	-0.72023547	0.3803444	0.13901865	-0.43423277	0.37097886	0.3465781	0.9953544	-0.2545831	-0.9695522	-0.32426727	-0.28313097	-0.060359757	-0.3755933	-0.8401137	0.05137132	-0.022671951	0.55786467	0.63428783	0.31537205	-0.026509132	-0.65059716	0.085765764	-0.7033976	0.059485074	-0.68576217	-0.4145019	-0.15093103	0.60422117	-0.054093126	0.21794464	0.22097807	-0.7778456	0.16584592	0.53537804	0.45121762	0.3983538	-0.16453826	-0.08111025	-0.86291313	-0.93220395	0.29554597	-0.6025348	-0.6653126	-0.7671847	-0.47176164	0.18268119	0.39488456	-0.9997366	0.8986708	-0.8209866	-0.9256749	0.22467805	0.47798863	-0.5983499	0.11443791	-0.049858462	-0.5046126	0.40728503	-0.060269404	0.5014937	-0.22230202	-0.43780926	0.99964976	-0.5912586	0.29128298	-0.147957	-0.096107416	-0.48683628	0.20554729	-0.43164667	0.2575661	-0.6928671	-0.95077884	-0.83334976	0.002459055	0.11220718	-0.82384455	-0.29215917	-0.013629156	-0.110007405	-0.3570372	-0.5515223	0.15407895	0.073906355	0.0818882	-0.3712953	0.9982631	-0.1328873	0.38817492	0.05129147	-0.30384898	-0.64390445	-0.6271464	0.2089828	0.6256292	0.2306738	0.83126366	0.9993718	0.42981422	0.4251612	-0.14729322	0.2060826	-0.56181496	-0.9783761	0.800928	0.47545323	-0.89497906	0.54036087	-0.99771553	0.5170614	0.5006451	-0.73545635	-0.64927846	-0.16077964	-0.5035126	0.31219494	-0.04688912	0.14771691	-0.50810903	0.84608316	-0.51968324	0.25879	-0.48390004	0.10749801	-0.42054382	0.70304	-0.9557498	0.8255091	-0.91197354	-0.1805659	0.07350126	0.30551785	0.30366382	0.780258	0.06342228	-0.61685747	-0.43753043	0.267451	0.025526859	-0.26046315	-0.24691314	0.07659185	0.38356504	-0.5398573	-0.85540843	-0.30418625	-0.49747673	0.45149148	0.43649936	-0.9978391	-0.71394724	-0.2808623	0.42693108	-0.20559746	-0.6244135	-0.18792765	-0.4221873	-0.6658212	0.43703452	0.50383013	-0.09366368	-0.35894087	-0.54380393	-0.090503216	-0.17118894	0.94443995	-0.18920915	0.5169291	0.000684385	0.27963307	0.6913693	-0.21811524	-0.7054913	-0.71018636	0.013285635	0.24947739	-0.192108	-0.9989296	0.33263242	0.09625951	0.1627855	0.058997385	0.58129305	0.39745218	0.55973375	-0.1189521	-0.35217148	-0.74412745	-0.055494096	-0.60792816	-0.15129551	0.7358141	-0.97132146	0.37971112	-0.6222648	0.3766247	0.5944021	-0.9257525	0.46918985	0.16054054	0.52044404	0.11013555	-0.7427141	0.55178064	0.18618055	-0.21594156	-0.5205573	0.07451324	0.4858788	0.6045377	-0.09437287	-0.32370397	-0.18351169	-0.27708128	-0.61947984	0.011472832	0.25385758	0.20831837	-0.59865236	-0.9982618	0.453698	0.280523	-0.09121577	-0.42191115	-0.15893349	-0.74469334	0.13280468	0.35680997	-0.68078303	0.06028922	-0.60713917	0.45479387	0.8298336	0.4114705	-0.34931275	0.06843959	-0.025488261	0.12563922	0.24522562	0.9394522	0.37983733	0.15579955	-0.4722205	-0.71055824	-0.63900095	0.07374574	0.005380619	-0.43878573	0.64946145	0.99778366	-0.101335384	-0.52012473	-0.034817148	0.37466985	-0.42492312	0.37447828	-0.11006808	-0.32617202	-0.28099266	0.9750538	-0.09956661	0.96653116	0.089379385	-0.4804025	0.99882877	-0.96582794	-0.5552565	-0.31610832	0.74441075	0.8494035	-0.76423365	0.22234817	-0.45447555	-0.31836736	-0.43167403	0.33135858	-0.50312454	0.157855	0.33131662	-0.1902739	0.7650434	0.10946409	-0.94601566	-0.003655134	0.27186486	0.19914342	-0.98642707	0.2575416	-0.3199205	0.29383495	0.28938377	-0.84871304	-0.39315346	-0.6769205	0.5189485	-0.8702843	0.14846371	0.28044668	0.27423844	-0.19107962	-0.21296984	-0.16661637	-0.47508407	-0.2196332	-0.0841645	0.67252195	-0.14570136	0.7610119	-0.6258313	0.66666716	-0.61869264	-0.52604026	0.12496754	-0.25413397	0.33428487	-0.47726312	0.5208436	-0.39042264	-0.93691623	-0.07227656	-0.17934512	0.23348306	0.36782405	0.04670784	-0.06711169	0.99975556	0.157867	0.12745522	0.65910774	0.0901592	-0.11108872	-0.03745635	-0.63693213	0.4680043	0.18481416	0.44561344	-0.22174412	-0.29765257	-0.6908653	0.28649622	0.4874429	-0.1191131	0.07818088	1	-0.24594375	-0.7077192	-0.75623244	0.26178837	-0.322531	0.50576043	-0.6335022	-0.5633433	0.6956705	-0.101919524	-0.2942862	-0.49250975	-0.70853937	0.75966674	-0.14783993	-0.33788985	-0.27691254	-0.19386236	0.5103313	-0.9403889	0.6832408	-0.82700443	0.64558095	0.19277559	0.8574278	0.046350107	0.5463565	-0.2195494	-0.20882642	-0.034133688	0.5473712	0.99774957	-0.37926692	0.3437258	0.73445374	0.63277197	-0.38153535	0.7154228	0.41259983	0.288351	0.999966	-0.4492134	-0.9646262	0.110135235	0.9998248	-0.45096672	-0.8141174	-0.9996117	-0.53026426	0.41214004	0.7824888	0.2730785	-0.48003367	0.16923842	-0.28580728	-0.58957505	-0.11265199	-0.6105318	-0.5582304	-0.059762303	0.52312905	0.1843567	-0.9999314	-0.99824333	-0.91617143	0.6825355	0.7933608	0.06757198	-0.8287287	-0.2452549	-0.8115633	-0.68479705	0.67456436	0.5194134	-0.8920599	0.6391933	-0.37375316	0.43309206	-0.38291535	-0.32442147	-0.31764573	0.09793063	-0.99994874	-0.17095497	-0.2957307	-0.5594218	-0.28504154	0.5543265	0.010606419	0.75629586	0.5504811	-0.8680575	-0.29307666	0.04232493	0.7481438	0.9509872	0.31243187	0.23253487	-0.21560477	0.013906477	0.38696215	0.49900225	0.27736133	-0.04178036	-0.25729004	0.22500621	0.5793759	0.51119214	-0.5983643	0.5216386	-0.29106	-0.58401096	-0.3627331	0.72217125	-0.64124316	0.027272705	0.09633661	0.94606054	-0.48090458	0.11061805	-0.7958693	0.6651333	-0.82897085	0.9994785	0.38531438	0.27120087	-0.34424904	0.70653355	-0.8206829	-0.3281349	-0.96645945	-0.32896906	-0.54712594	0.16496189	0.728751	0.28394353
477	0	COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12	0.3920801	0.68650955	-0.12678848	-0.19549657	-0.19540827	0.46945965	-0.09370481	-0.25440443	-0.22420853	-0.0729703	0.6993877	-0.29120678	0.11419584	0.8293356	0.18964106	-0.831692	-0.24521819	0.14750583	-0.377554	-0.45535097	0.16821463	0.83278346	0.2931789	0.5634327	0.21322931	-0.21998256	0.64922047	0.44940653	-0.014388463	-0.8042141	-0.54503036	-0.7457089	-0.5926551	0.40265995	0.3740367	0.6667334	-0.26603317	-0.2658731	0.99986935	0.31988907	0.4947946	0.20433751	0.21282272	0.03289269	-0.82006854	0.94128096	0.22655323	-0.15058678	0.000931196	0.47203258	-0.082338676	0.3987567	-0.7294481	-0.2109727	0.69828707	0.53312606	-0.42638758	-0.978857	-0.13388674	0.2745492	-0.5619305	0.94543684	0.84575266	-0.58369744	-0.6086586	0.33337498	0.31661636	-0.7624232	-0.5940941	-0.49048793	-0.9963681	-0.9866941	-0.29661855	-0.8803723	-0.58883876	-0.3038651	0.000824616	-0.2073939	0.19493814	-0.99890965	0.7842467	0.026881509	-0.9567633	0.09397024	-0.1398999	-0.7433458	0.6041885	-0.09336185	0.29866755	0.64313126	0.14711821	-0.26479426	0.49338132	0.10368832	0.9999772	-0.39234856	-0.59518075	0.46844113	-0.02690281	0.4698454	0.5894207	-0.6556449	-0.75222325	0.5310694	-0.99983734	-0.9938036	-0.5458317	0.26580483	-0.9847826	0.5670974	0.338441	-0.51253927	-0.45198184	0.3516764	0.11815567	-0.5068179	-0.12557244	0.35704425	0.6080641	-0.20192446	-0.18117526	0.32014614	-0.12227871	0.29240578	-0.28990412	0.018494705	-0.3793105	-0.89533573	-0.09905056	0.9869343	-0.31455016	0.28775978	0.53390735	-0.80350447	-0.2979318	-0.99097294	0.31160918	-0.32571265	-0.24268252	0.57477	-0.9999942	-0.24739565	-0.80376303	0.1910489	0.35076714	0.3057246	-0.032463584	-0.6125389	-0.9994675	0.21228045	0.5039234	0.6553962	-0.89954066	-0.75135124	-0.06463474	0.47059166	0.003721593	-0.9905329	-0.7103278	-0.07743656	0.6459682	0.1484848	0.43926156	-0.034605168	0.0637103	0.28848827	-0.47021648	0.18880394	0.036941424	-0.6937466	-0.040998448	-0.2447204	-0.3557208	-0.40420592	-0.09858863	0.6065017	-0.39464423	-0.13276139	-0.84647006	0.21411096	0.14670034	-0.99829036	-0.42911163	-0.72897446	0.8980626	-0.03275319	0.43667075	0.3370581	-0.6772324	-0.18612859	0.68156695	0.6129644	0.38954276	-0.6729457	0.13421789	0.53372246	0.15939663	-0.8053692	-0.0241168	0.39819854	0.13985908	0.85347503	0.43436396	0.050664965	-0.05008992	-0.06910091	0.95272446	0.09900523	0.14040256	-0.99993414	-0.26720592	-0.09697905	-0.24097769	0.04566284	-0.5749223	0.36091235	-0.8509701	0.36140913	-0.14382792	-0.06649458	-0.69098514	0.6110344	0.80253124	0.06349287	-0.93457	-0.045183636	0.76393324	0.5287324	-0.5044681	-0.20462106	-0.65478826	-0.56477123	0.09178539	0.63902754	-0.4563145	0.6069996	-0.28445962	0.5095583	-0.1763315	-0.63050026	0.82679063	-0.14191295	-0.169034	-0.1330538	-0.12528113	0.34692842	-0.23770055	0.6805429	-0.34263793	-0.23062535	0.2825939	-0.7987232	-0.2772136	0.06651859	-0.30880654	-0.7386377	-0.4297959	0.02997967	-0.48310533	0.5656123	-0.2887942	-0.35266843	0.47448254	0.42934754	0.32434377	-0.6050326	-0.4823899	0.7381807	0.92775726	-0.114812605	0.73207486	0.999069	0.5296274	0.27794272	0.397186	-0.68338466	-0.3400391	0.78089684	0.5304528	-0.31600708	-0.23834126	0.8007084	-0.43243584	-0.33585632	0.4741544	-0.02580301	0.1679657	0.26189792	-0.9448085	0.26909375	0.025685905	-0.66430914	-0.49436212	0.7512098	-0.26052803	-0.22532511	0.99999535	-0.7145632	0.058348775	-0.31338105	0.13588263	0.4378507	-0.46604022	0.020427285	0.9277012	0.8921569	-0.9995239	-0.035995428	0.5421152	-0.35095224	0.703715	0.6941562	-0.14647931	0.27052647	-0.90668577	0.16997127	-0.50577086	-0.5823435	-0.84997284	0.42728123	0.7358833	0.470425	-0.26005632	-0.7347915	0.73143905	-0.31313252	-0.2488116	-0.019016787	-0.02018203	-0.31953278	-0.25260192	0.03686645	0.38933024	0.005650564	0.29737055	-0.4795902	0.2846631	-0.54730827	-0.65117043	-0.517059	-0.5403322	0.6460296	0.0940229	-0.22682023	0.7976599	-0.46538836	0.9023779	0.03303579	0.44113186	-0.98756194	0.4826729	-0.4962605	0.07855238	0.7108429	0.28694284	-0.6736955	-0.26412475	0.99979067	0.5683364	0.17285807	0.17864777	0.117312565	-0.41823936	0.7238179	0.023999862	-0.6251473	0.5148401	0.24294057	0.1240479	0.06928163	0.50673825	-0.24378036	0.6485314	-0.93747455	-0.234851	-0.9907555	-0.77909833	0.17078261	-0.48647913	0.6211601	0.655293	-0.25207895	-0.7824039	0.45248958	-0.5621258	0.1340362	0.4919888	-0.09667248	-0.42203102	0.8155754	-0.2542044	-0.46799958	0.7811527	-0.5135212	0.53001237	-0.57543194	0.49584585	-0.25850424	-0.02263259	0.35269406	0.9971953	0.04372665	-0.012166967	-0.2288123	0.6864494	0.35047913	0.1710907	0.31325045	0.2793459	-0.1650593	-0.471851	-0.23039612	0.006678371	-0.27331802	0.27245995	-0.7720298	0.99968535	-0.1464524	-0.98100394	-0.8548735	0.99879587	-0.13538736	-0.03305299	-0.9978285	0.1371761	-0.87391996	0.05496107	-0.10366107	-0.20096616	-0.2983071	0.48922095	0.44046333	-0.6666645	0.28152516	-0.10817942	-0.08378055	-0.6479814	-0.027650038	-0.9996608	0.99999964	0.78438854	0.17362663	-0.58589184	-0.78990626	0.42245027	0.21196195	-0.7726072	-0.83370024	0.09345287	0.5459286	-0.42230514	-0.08373647	-0.23440342	0.68433154	0.31973997	-0.1638621	-0.6629969	0.9762714	-0.99179786	0.57338476	0.53405786	0.54602927	-0.76154184	-0.112632655	0.92841357	0.8061264	0.5963374	-0.26773506	0.5783047	-0.33910123	-0.21919306	0.97212565	0.606316	0.7177905	0.093103595	-0.32291397	-0.89767516	0.26322332	0.4066918	-0.5661576	-0.72475827	0.7473248	-0.86955935	0.14332375	-0.002940023	0.64850396	-0.014308195	-0.17559724	-0.09175228	0.8496904	-0.28984883	0.85653764	-0.69044864	0.9995136	-0.19100589	0.4606519	-0.25380623	0.50258726	0.17897128	0.99771607	0.5786474	-0.3745592	0.11816595	0.06570045	-0.46140745	0.5701574	-0.99908143	0.5606211	-0.5512922	0.08909395	-0.020625263	-0.37677345
478	0	O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	-0.434382	-0.46398148	-0.2068444	0.5231863	-0.40631273	-0.5531056	-0.4344846	0.37511134	0.3184622	-0.12232647	-0.45281935	0.19796102	-0.24144493	0.0939053	0.40169945	-0.9394884	0.15220444	0.19883789	0.038948376	-0.21463655	0.7489749	-0.29961494	0.7580423	0.13376252	-0.032561585	0.45757726	0.33286363	-0.18831098	0.7201658	-0.7616661	0.12454272	0.8185886	-0.38993785	0.25278053	0.2412408	0.19702072	0.46591368	0.4897104	0.9548997	-0.84282994	-0.9931611	0.17077564	0.22735013	-0.24421659	-0.16523543	-0.9838157	0.39259583	-0.19268563	0.9920748	0.10355529	-0.36356103	0.61920536	-0.44641858	0.07181448	-0.9513936	0.12475602	-0.9134028	0.4600568	-0.43661678	0.73026156	0.38758034	-0.20705579	-0.40376446	0.10308752	-0.11646399	0.8753957	0.75114936	0.38024384	0.1859319	0.16495802	0.57907265	-0.31088158	0.23602813	-0.62514615	0.7584656	-0.6770607	0.5005841	-0.5874848	-0.30081734	-0.9912096	0.049516007	-0.8152124	-0.86877847	-0.26406068	0.37051916	-0.6627127	0.0766144	0.25272873	-0.8677084	-0.042600624	0.1750917	0.18444934	0.25606585	0.4532403	0.85458595	-0.11131791	0.74186313	0.047618166	0.54726225	-0.6579746	0.9238361	-0.80030084	0.6685317	-0.8761946	-0.33385321	-0.61274964	-0.4312438	-0.08533204	0.9837462	0.35127378	-0.77094954	-0.16143164	-0.69293773	-0.18644856	0.36070865	0.13107428	0.510494	0.56440324	0.99970883	-0.74327683	0.5410568	0.54129493	-0.4016342	-0.46106932	-0.5587089	-0.18294704	0.58039075	0.14821967	0.0810404	0.9998107	0.15899879	0.34887654	0.5809802	-0.35944846	0.39657408	-0.94987327	0.8207795	0.49278003	-0.6742692	-0.4590734	-0.99235195	0.19387202	0.98248655	0.3349283	-0.09594668	-0.07841836	0.05962794	0.23318903	0.9234783	-0.8128821	-0.2517314	-0.69940674	-0.48128206	-0.10536872	-0.47704393	-0.49450245	-0.32331228	0.9932571	-0.8803225	-0.9481556	-0.97275615	-0.31601834	-0.18784377	0.07867337	0.5367986	0.71487224	-0.2597243	-0.61151	-0.60337305	0.15322225	-0.9225685	-0.41657427	-0.6317517	0.20572716	0.57092786	-0.84028125	-0.96041626	0.583763	0.3391683	0.6733606	0.43145788	-0.8542844	-0.6393124	-0.4153516	-0.54050857	-0.48795888	0.63859385	0.8080385	-0.7487362	-0.13894065	0.80247706	0.5298599	0.25790456	-0.1790069	-0.5579734	0.037830595	0.67143023	0.8466157	0.001392477	0.82382184	-0.7329848	0.59891444	-0.7299368	-0.69951755	-0.5958336	-0.8211071	0.47938025	0.6433183	0.32032797	-0.9886837	0.48957548	0.4165837	-0.24525408	0.2294946	-0.2685777	-0.014945291	0.8290684	-0.6036129	-0.26476288	-0.6599765	0.18134977	-0.6902738	-0.34840676	0.4477883	-0.94634855	0.088920295	0.19188799	0.6993809	0.04336463	-0.3037585	-0.52055717	0.31604576	-0.27906576	-0.7070569	-0.10666939	-0.40778548	0.2818609	-0.017360063	-0.5414587	0.06075029	0.18799622	0.67455965	0.8572204	-0.29705584	0.3038247	0.085294954	0.12556516	-0.73274046	-0.021425223	-0.8440471	-0.07606693	-0.9989845	-0.22194086	-0.023774968	-0.5272251	-0.49260375	0.23377478	-0.07835325	-0.5839671	0.47452715	-0.72447145	0.6734261	0.6267822	-0.698192	0.6247512	-0.5043689	-0.19503947	0.21164791	0.28867838	0.07725579	0.047304187	0.5112088	0.65665156	0.6405141	-0.15871584	0.9238936	-0.59372795	-0.51095456	0.21465585	-0.8159137	0.7873173	0.99927044	0.056525264	0.69227964	0.07391593	-0.3735032	-0.41883704	0.87481934	0.96335053	-0.26915276	-0.43092817	0.9988133	0.3710678	0.914901	0.12868328	-0.06696422	0.99829894	-0.99012697	-0.20930606	0.6146412	0.49611795	0.46974018	-0.5273793	0.1607882	0.22820199	-0.6753968	0.96103853	0.5719999	-0.8098411	0.08042454	0.29414663	-0.4897038	0.2929106	0.34712684	-0.15922077	-0.54710364	-0.00072002	0.038630493	-0.9999355	0.6595924	-0.08269793	0.4767685	0.6920271	-0.67586863	-0.68377703	-0.20846096	0.702842	-0.98878473	0.32670468	-0.10517704	-0.5297937	-0.089047156	-0.5341366	-0.4067022	0.3796094	0.8362446	0.026626982	0.1091432	-0.6312042	0.83680785	0.1089688	-0.7732923	-0.45576808	-0.57359344	-0.18668869	-0.053313974	0.004701166	-0.33855662	-0.2552788	0.67826915	-0.9919975	-0.60758686	0.102842115	-0.39096716	0.5590972	0.46510813	-0.46369615	0.998248	-0.48142943	-0.09658207	0.10056554	0.39825407	0.54350847	0.09986241	-0.85571903	-0.5521586	0.74373686	0.68401146	0.028249666	-0.10327243	-0.7569543	0.7926611	0.8141106	0.7006867	0.6060367	1	0.58874446	-0.71549064	-0.25690272	-0.6346737	-0.9594969	-0.17898849	-0.50999564	-0.71621776	-0.06267624	-0.45406958	-0.5956515	-0.4696268	-0.73963803	0.9327798	0.04021434	-0.21568987	-0.38404092	0.37133354	0.3483452	-0.8644871	0.34797525	-0.40922615	0.9100632	-0.35066736	-0.75332576	-0.35211882	-0.45672402	0.65348357	-0.36887905	0.63159305	0.102566555	0.9744604	-0.48056602	0.509805	0.8711601	0.6989582	0.48472118	0.2921495	0.6879149	0.7558918	0.9999997	0.022274785	-0.9865796	0.63013816	0.9985949	-0.81604284	-0.6272437	-0.9999285	-0.7080386	0.6115634	0.7851528	-0.2935071	-0.7183742	-0.51288646	-0.08192365	-0.80056024	0.013664235	-0.38203844	-0.25670868	-0.20768286	0.21214132	0.21405591	-0.99999446	-0.99913543	-0.9956077	0.69949585	0.24372616	-0.3496241	0.11863888	-0.66781014	-0.93731964	0.08264704	0.3149109	0.66630036	-0.8765062	0.31456718	-0.05642103	-0.1664616	0.33372885	-0.5912102	-0.56071377	-0.88369393	-0.999966	-0.4786991	0.37797192	-0.3004652	0.24889089	0.73038965	-0.9679096	0.59077847	0.2302977	-0.72303873	0.1581565	0.089833826	0.2709121	0.9086282	0.20807378	0.14890575	-0.6949659	0.29740325	-0.7321376	0.035104793	-0.5673659	0.38998112	-0.6765656	-0.47419646	-0.71008545	0.10792966	-0.8111222	-0.13335171	-0.3080932	-0.17365578	-0.56497186	0.84314084	-0.497101	0.41975665	0.21662061	0.20639203	-0.4749915	0.5596121	-0.83981264	0.3262204	0.17333059	0.9975232	0.9000378	-0.70917916	0.1602873	0.6102282	-0.38815877	0.3475051	-0.5507831	-0.62066126	0.38672337	0.8532707	0.6173321	-0.27244365
479	0	Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	-0.5451156	-0.20096534	-0.18604954	0.724184	-0.29111674	-0.2893367	-0.47901675	0.15717857	-0.043904517	-0.23759699	-0.79425466	-0.03261032	-0.3108367	-0.36228243	0.22595654	-0.8730283	-0.4443929	-0.13091722	-0.19492725	-0.43780604	0.5760636	-0.62385005	0.7579706	0.2944122	0.24947503	0.5112689	0.1354557	0.10765874	0.8379479	-0.607406	-0.14103752	0.87586206	-0.34515673	0.20901455	-0.27852798	0.15966836	0.176903	0.049813136	0.77624387	-0.93227947	-0.98884577	-0.173343	0.20146291	-0.39868978	0.46465853	-0.990993	0.33573306	-0.3321241	0.98254645	-0.17718817	-0.31173047	0.58527905	-0.019040948	-0.059528604	-0.96316403	-0.034254406	-0.8947355	0.8018104	-0.3585859	0.68701017	0.52681214	-0.04374963	0.061964072	0.36338457	0.11711518	0.75352544	0.4152213	0.28952706	0.22325982	0.10276862	0.6736342	-0.2461657	0.007083387	-0.5322764	0.9039998	-0.78078735	0.5917346	-0.32388663	-0.2532425	-0.97403634	-0.8253179	-0.5840582	-0.7742836	0.3921702	0.21118952	-0.5556244	0.2449668	0.23689112	-0.37790555	-0.11148223	0.3927452	0.21607277	0.5931504	0.3853324	0.05551047	0.07188484	0.59809434	0.29561806	0.6018028	-0.6392846	0.78373873	-0.55920273	0.81165785	-0.9152118	0.6460047	-0.10126161	-0.22062469	-0.010043983	-0.846872	0.7087146	-0.80636483	-0.09716197	-0.44660434	-0.42587408	0.32776052	0.46276796	0.4566812	0.6482758	0.9995718	-0.6983968	0.32084113	0.35032496	-0.088118	-0.22276692	-0.5427401	0.1454967	0.55243707	0.21121672	-0.4693369	0.99970806	-0.2620837	-0.42459646	0.75864756	-0.40460435	0.52353585	-0.5677494	0.8388621	0.57479787	-0.775116	-0.33027494	-0.9977182	0.4335881	0.9978733	0.38129795	-0.33633378	-0.23027198	0.35914534	0.057941727	0.97588885	-0.80071145	-0.053608682	-0.5724152	-0.261379	-0.06820904	-0.30362824	-0.5273105	-0.322202	0.99817765	-0.91358286	-0.6270375	-0.9790982	-0.586487	0.2196274	0.13367374	0.8823323	0.5699158	0.13300763	-0.7945679	-0.14460829	0.0788608	-0.93767315	-0.3937859	-0.25815952	0.040518582	0.26421162	-0.8560907	-0.95686424	0.6204198	0.10403332	0.63257194	0.42326188	0.71634454	-0.4603957	-0.22988582	-0.6717995	-0.6200067	0.6869205	0.72607464	-0.5489986	-0.46445906	0.9322949	0.32609034	-0.09218229	0.34003595	-0.42913112	0.000176456	0.692942	0.05510704	-0.007186138	0.69841796	-0.73803395	0.7465259	-0.7909183	-0.81041604	0.02310939	-0.698384	0.5456712	0.4789931	0.31711537	-0.9766589	-0.049417354	0.42592072	-0.14655295	0.30462867	-0.17145774	-0.5076016	0.4597476	-0.3032036	-0.59127265	-0.27655095	0.03799936	-0.7384076	-0.343212	0.21063896	0.9747712	-0.40161353	0.45467883	0.744179	0.14509453	-0.22881673	-0.42098027	-0.3621864	0.003925296	-0.6704967	0.38387263	-0.44576716	0.19412522	0.27696562	-0.77672434	0.3016051	0.8721027	0.746204	0.559317	-0.6668711	0.49900588	-0.021450149	0.5727637	-0.395226	-0.15036851	-0.8627434	-0.2773758	-0.9987997	-0.38074037	0.1383036	-0.7739219	-0.5877957	0.5191626	-0.046144508	-0.41089022	0.25804913	-0.42655155	0.68986857	0.7650844	-0.8182026	0.49451157	-0.6779136	-0.39403668	-0.2129881	-0.32942143	0.4621631	0.20100366	0.42242217	0.43136862	0.54358613	0.031332534	0.95101815	-0.3759323	-0.08795015	0.367959	-0.67794776	0.6232213	0.998995	0.37934676	0.81486785	-0.07346391	-0.57133687	-0.50362384	0.48990428	0.44274262	-0.30568948	-0.6756729	0.99924654	-0.10323138	0.91139627	-0.2034973	-0.31883967	0.99854666	-0.99007636	0.102529615	0.57729214	0.4419514	-0.11136432	-0.14548759	0.24827452	0.21922944	-0.8130962	0.9932097	0.7683928	-0.8329313	-0.27919906	0.50576746	-0.60332197	0.31963477	0.4234261	0.9229876	-0.63944966	-0.11453654	-0.16338348	-0.94451416	0.32739356	-0.28311315	0.48073044	0.6996136	-0.52851176	-0.7279027	-0.30141115	0.5732705	-0.9896706	0.6306793	0.13053913	-0.4411639	-0.40395305	-0.17354618	-0.0079274	0.21979222	0.9187304	0.03377836	0.086225025	-0.46118405	0.7797736	-0.32005253	-0.8396918	-0.04001596	-0.59901166	-0.4490766	0.23536225	-0.49495256	-0.059939783	0.1026644	0.8644121	-0.9938258	-0.55129665	0.3372047	-0.5381451	0.45340684	0.616381	-0.1745204	0.99689454	-0.26600468	-0.081952766	0.11390214	0.06619722	0.54009205	0.25717136	-0.9018572	-0.7235815	0.87384224	0.7155285	-0.070600554	-0.19243483	-0.3782495	0.8293054	0.85067606	0.83078057	0.15743873	1	0.56644094	-0.5727404	-0.27127352	-0.5339221	-0.96933067	0.025715036	-0.5554328	-0.6661664	-0.66381824	-0.56813437	-0.6323939	0.032657597	-0.71127295	0.92563397	0.19740619	0.47239166	-0.5473925	0.26283026	0.3719456	-0.590299	-0.23749578	-0.26470235	0.93068004	-0.49171546	-0.9725097	-0.20220698	-0.50712615	0.48540995	-0.32252437	0.28340304	0.004274338	-0.13331723	-0.1977643	0.35411495	0.66931814	0.75565547	0.4255587	0.13067266	0.66009	0.6488133	0.9998747	-0.21967572	-0.9936528	0.7344614	0.99910945	-0.7577594	-0.6351104	-0.9985185	-0.42832303	0.8018221	0.7243279	-0.53398573	-0.443818	-0.46216372	-0.01955526	-0.75712734	-0.09175369	-0.29246745	-0.49621877	-0.33101276	0.66830486	0.09982688	-0.9999832	-0.9989392	-0.9977404	0.023207493	0.30236462	-0.26716846	0.35796785	-0.861215	-0.9342963	0.473431	0.1019579	0.4443453	-0.8683646	-0.08290598	-0.23477763	-0.030175738	0.16047248	-0.34285966	-0.7790813	-0.97244567	-0.9999122	-0.3083095	0.35655084	-0.001498257	0.65996057	0.71597785	-0.996501	0.009982796	-0.4377068	-0.57134765	0.45369378	-0.2046309	0.10084771	0.9102809	0.5190144	0.05547926	-0.77851695	0.49160686	-0.7540681	-0.44594857	-0.5575327	0.54885346	-0.7945683	-0.65040046	-0.57358485	0.22267197	-0.8311459	-0.18057522	0.06941217	0.13776669	-0.4272913	0.8722193	-0.5779652	0.38491258	-0.002975675	-0.57995313	-0.5338499	0.49693707	-0.31995007	0.30546758	0.4097253	0.99833214	0.8897544	-0.75656855	0.14936839	0.52916104	0.19114177	0.36500862	0.06641681	-0.4434371	0.7696401	0.8970431	0.6075341	-0.37956703
480	1	Clc1nc(Cl)c(Cl)c(Cl)c1Cl	-0.64820105	-0.37307036	-0.11727618	0.6053565	-0.4197038	-0.51757354	-0.38918906	0.2599846	0.34142888	-0.46363908	-0.5476957	-0.019288823	-0.002533353	-0.13808423	0.4487913	-0.8602839	-0.5765194	-0.16428274	0.013400982	-0.32201353	0.59377223	-0.5583668	0.7458379	0.10922012	-0.004148496	0.45950094	0.23580262	0.041404802	0.7104267	-0.48967782	-0.04654939	0.78434175	-0.49288797	0.0534312	0.07888911	0.08438676	0.008783349	0.091107	0.34179315	-0.96092343	-0.99062383	-0.46099412	0.20260318	-0.25785923	0.43471757	-0.9943042	0.35237977	-0.13562961	0.9947155	-0.4402999	-0.6261103	0.55767465	0.20388004	-0.24095681	-0.96743757	0.33224002	-0.8784852	0.8796652	-0.5347374	0.4663743	0.48762965	-0.10884475	0.28681025	0.24215092	0.04712119	0.83520144	0.32757375	0.001337619	0.5114601	-0.41128445	0.67085755	-0.61694	0.16695412	-0.4629828	0.8308205	-0.70823497	0.18650793	-0.3017785	-0.01130104	-0.990216	-0.6279698	-0.35805994	-0.72379714	0.024527868	0.44893742	-0.22858173	0.7263276	0.2481472	-0.56622416	-0.2407548	0.5523669	-0.12144847	0.62333894	0.39539313	0.15264483	-0.0993762	0.60761666	-0.04521007	0.19497754	-0.6919063	0.79233176	-0.29700932	0.8761349	-0.8981674	0.8766605	-0.6851325	-0.38767272	-0.02497633	0.9837157	0.41486746	-0.71996844	-0.29032418	-0.44006816	-0.27494282	0.11039254	0.2653898	0.38204047	0.4721497	0.9995808	-0.6404972	-0.00114021	0.5031613	0.21289302	-0.14152934	-0.2337806	-0.31456015	0.14571205	0.46851423	-0.5125829	0.9995686	-0.000781901	-0.4306819	0.6711161	-0.23261108	0.6873172	-0.9149825	0.46686342	0.031971384	-0.65134645	-0.1491257	-0.99637395	0.1799535	0.99760157	0.3723861	-0.25282696	-0.17866561	0.05148806	-0.022549478	0.99028164	-0.5265874	-0.096392825	-0.59628046	-0.3290251	0.026591081	-0.48698223	-0.045721892	-0.51264924	0.99932706	-0.7810351	-0.9712735	-0.9855002	-0.3251562	0.0336197	0.20602135	0.7256466	0.58415693	0.46223068	-0.703339	-0.22648303	-0.12063307	-0.8845222	-0.40556604	0.017383315	-0.29409945	0.5276707	-0.7618844	-0.94921404	0.7187442	-0.18946204	0.5266003	0.5700912	0.7202076	-0.39112958	-0.28782254	-0.88222533	-0.5387913	0.7565723	0.4511389	-0.5012222	-0.42522	0.94014925	0.31056467	-0.025324224	0.3143915	-0.13371389	0.02300032	0.4438044	-0.5940204	-0.0429855	0.664569	-0.4097422	0.4851712	-0.76535136	-0.66940194	0.08444312	-0.56670374	0.592221	0.33043224	0.423518	-0.88793236	0.059401356	0.09358502	-0.20115608	0.2814973	-0.37233436	-0.423649	0.3995245	-0.4010222	-0.09683891	-0.036615584	-0.19242167	-0.78387547	0.14529388	0.08573566	-0.97997606	-0.22328097	0.22919065	0.6907818	0.545559	0.06997961	-0.47785163	-0.15888801	-0.16511366	-0.7313981	0.2285111	-0.607001	0.23575218	0.29606622	-0.6190246	0.13926953	0.8943611	0.37722358	0.6466896	-0.31596765	0.33460513	0.18470354	0.5133138	-0.25960857	0.3130421	-0.7736969	-0.14763385	-0.99897015	-0.3226962	0.18562293	-0.6402777	-0.5837773	0.60011137	-0.06474937	-0.51817286	-0.25300717	-0.15683234	0.6136811	0.62042797	-0.81970245	0.3220196	-0.61718434	-0.2191311	-0.43627444	0.7171011	0.69065547	0.3133609	0.22551258	0.049657114	0.71657306	0.25262251	0.93825287	-0.5798294	-0.52921927	0.40570867	-0.4598586	0.45976317	0.99929506	0.29196453	0.84024864	0.080932185	-0.3363997	-0.4105604	0.70050097	0.94489783	-0.2596973	-0.4817179	0.9995806	-0.12507504	0.88179535	0.020898681	-0.08907886	0.99748605	-0.9826016	0.27485663	0.46782997	0.27543885	-0.33048105	-0.13889019	-0.08237857	0.77875	0.112992436	0.9980889	0.84952515	-0.7592722	-0.032151226	0.6085674	-0.5309853	0.30153006	0.5104266	0.9310354	-0.5055938	0.1630539	0.023454417	-0.9999363	0.36188495	-0.5299366	0.581096	0.45704544	-0.5784183	-0.64882565	-0.57719487	0.61237425	-0.97340137	0.5605241	0.100579634	-0.28402197	-0.33213496	-0.30744892	-0.43093753	0.26166698	0.865245	0.2149249	-0.08737677	-0.48975644	0.64314485	-0.2541018	-0.90146005	-0.023650343	-0.38561934	-0.3494309	0.3237188	-0.27903754	-0.019136233	-0.039253388	0.935389	-0.9952744	-0.28672513	0.51829135	-0.5809551	0.3674534	0.4894747	-0.1146382	0.99417996	-0.24240799	-0.39516306	0.10986442	0.17399459	0.4203768	0.19029678	-0.79875773	-0.7651435	0.8139383	0.52848846	-0.29268718	-0.18698916	-0.46655205	0.82197845	0.73035455	0.7758346	0.2534025	1	0.532158	-0.71338105	-0.26150784	-0.5265621	-0.97124416	0.10467633	-0.39115727	-0.49819556	-0.62545455	-0.277637	-0.6373802	-0.028150927	-0.6658347	0.89172125	0.25441146	0.17399709	-0.1819643	0.31139767	0.48697692	-0.5402658	-0.06591127	-0.23547646	0.932048	-0.46471098	-0.9682453	0.11181134	-0.41475585	0.5864747	-0.4256373	-0.11903262	-0.14459036	-0.14956377	-0.27239478	0.1723952	0.8307313	0.6260861	0.59757984	-0.052328963	0.4116954	0.2608557	0.9999998	0.5303962	-0.994267	0.7598673	0.9983695	-0.59744495	-0.68083334	-0.99990904	-0.4076514	0.6873793	0.6990683	-0.34527093	-0.29791296	-0.1534854	0.15819143	-0.6083692	-0.004703539	-0.44806498	-0.38149944	0.08211308	0.3809603	0.11892149	-0.9999794	-0.9994735	-0.99824506	0.53228766	0.108532414	-0.3804109	0.5165349	-0.7423851	-0.9333721	0.4723743	0.27076212	0.53179085	-0.680584	-0.025443615	-0.025350485	-0.24328741	0.47272667	-0.38278437	-0.65520006	-0.98691595	-0.9999127	-0.33930337	0.52101827	0.029215023	0.4010195	0.57825357	-0.99570996	0.12214577	0.024460502	-0.51278627	0.41009712	0.19960293	0.08329941	0.92568827	0.09970066	0.29666868	-0.64725477	0.39174768	-0.6697341	-0.32922092	-0.6369432	0.5638203	-0.7647171	-0.44439563	-0.6147894	0.12969293	-0.7601862	-0.42632926	-0.17051002	0.49931884	-0.21971501	0.84385395	-0.52185404	0.15403165	-0.118443206	-0.8784949	-0.31615195	0.14570236	-0.0673937	0.02433725	0.18730386	0.99876714	0.78637624	-0.6222921	0.35575613	0.2933931	0.3548634	0.1571424	0.53955746	-0.24955598	0.23824994	0.79444194	0.4992754	-0.2889985
481	1	N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1	-0.70091975	0.6033964	-0.5538337	-0.54812914	0.5561369	-0.8108583	0.4140007	-0.118814945	-0.100295044	0.20432667	-0.21054584	-0.28597257	-0.4605124	0.11174047	0.6533604	0.86981195	0.31634656	-0.50655967	-0.07211348	-0.3518234	0.7895149	-0.38923553	-0.4912171	0.007780904	0.5510604	0.42964885	-0.17929362	0.35243943	0.10317449	0.030812817	-0.6462245	-0.5855866	0.10831795	-0.6343382	0.35592356	-0.3606375	-0.4851999	0.6518174	0.9986574	-0.13581087	0.7195135	0.38561702	-0.479042	-0.50948375	-0.3377394	-0.15840665	-0.104496725	-0.16582026	-0.29573745	0.47441667	0.5982087	-0.07734954	0.7604399	0.08068738	-0.10510255	-0.7478175	0.83904266	-0.06679762	0.38784114	-0.50297	-0.026788615	-0.48271698	-0.54787475	-0.13756566	-0.14547093	-0.041073203	-0.09665297	-0.68315697	0.7944349	-0.18866335	-0.79953694	-0.93256754	-0.4007221	-0.20336281	0.57002884	0.6967608	-0.47805315	-0.3014208	-0.2954678	-0.99260485	-0.96563977	-0.6034661	-0.93345493	0.00068702	0.045110587	-0.7778087	-0.4273827	0.167174	0.057402913	-0.66906923	-0.72632504	0.31236383	-0.76629627	0.58732533	0.9977502	-0.48018113	-0.5463	-0.26307604	-0.33324227	-0.09385856	-0.75375026	-0.62138224	0.06331174	0.9956104	-0.99497575	-0.2780981	-0.12257745	0.026927944	-0.9999989	-0.14527693	-0.50274223	-0.37478936	0.16704382	-0.06573974	-0.08372119	-0.51566833	-0.14733337	0.89470124	0.96048135	0.69674534	0.23155226	0.632244	-0.17792208	0.5743729	-0.6870028	-0.13283488	-0.1711616	0.61558884	0.35433263	0.9991847	0.06065183	0.31025034	0.23549394	-0.626427	0.36569676	0.53189504	-0.6654233	0.6339367	-0.09520541	-0.32997802	-0.9997027	0.5289662	0.2551437	-0.57090896	0.2190714	-0.22703624	-0.27034974	-0.7905799	-0.95821124	-0.4803763	-0.103940666	-0.8052948	0.7698285	0.5044265	0.023105543	0.46569318	-0.33171108	-0.42515904	0.32185537	0.5988478	-0.607068	0.17195885	-0.035060897	-0.108312435	0.44784656	-0.18593903	-0.27353835	0.018239377	-0.69005805	-0.6648156	-0.056792755	-0.104476444	-0.19956137	0.37967256	0.36039978	-0.8813506	-0.29408446	-0.29788947	0.25038478	0.62031585	-0.22600989	-0.96444976	-0.11270943	0.7148063	0.5486875	0.46840322	0.7147733	0.013633547	0.03661756	0.64460635	0.04201168	-0.54285187	-0.3034728	0.2008812	-0.21573886	0.055423368	0.010790813	0.9809473	0.07891006	0.33942074	-0.0748538	-0.30880883	-0.7687416	0.638982	0.5405697	0.7163256	0.18488802	-0.7208463	-0.12113779	-0.99990594	0.8106843	0.62652475	-0.23906569	-0.3773836	0.59490997	0.7196578	0.08991472	0.6758998	-0.07647548	0.1876511	-0.11452295	0.16072632	-0.5630167	0.4469845	0.9999999	0.73735255	-0.16967253	0.30397764	0.75625336	0.13487437	-0.5393661	0.6106522	0.39442325	0.63479036	0.40766436	-0.7194668	-0.13273379	0.6240446	0.323192	0.50613385	0.44847623	0.097139016	0.464986	-0.027101416	-0.18150051	0.23524398	0.2708202	-0.01568867	0.123378836	0.6353165	0.74934137	-0.96654785	0.74068314	0.84529805	0.55898535	0.76598436	-0.3194702	0.77233076	-0.56424725	-0.26273853	-0.69405407	0.14062165	-0.8386679	-0.6628663	0.53897226	0.6374263	0.20723367	-0.035271097	-0.99774677	-0.021347987	0.08179224	0.99537617	0.43990853	-0.045506075	0.11671639	0.95608765	-0.5804059	-0.30594328	-0.28697336	0.5623609	-0.103346996	0.99588794	-0.043207176	0.08807734	-0.2564039	-0.00740351	0.32644674	-0.9292159	-0.997854	0.51596785	0.027292797	0.800606	0.7398324	-0.89443326	-0.3522621	0.45368916	0.99981546	-0.95143926	-0.24391854	0.51439637	-0.52533036	-0.84041137	-0.55886394	-0.21494378	0.47145465	-0.76217926	-0.9897182	0.75197625	0.84497076	0.5002525	-0.5504344	0.75889426	-0.40819043	-0.65244776	-0.050639026	0.4566104	-0.4500269	-0.58685374	0.99999976	-0.002885253	-0.049230795	0.08092953	0.35635516	-0.6796204	0.017244548	-0.13998997	0.6797024	-0.48691446	0.040875252	0.24045402	0.31812173	0.45708612	0.14579384	0.4282415	0.01958422	-0.28163242	-0.5482293	0.078301944	0.33309343	-0.14512776	0.08390835	0.09312243	-0.4291505	0.40256613	0.12070184	-0.40594012	0.10003517	-0.08214916	-0.26998186	-0.87868875	-0.9295271	0.243995	-0.7534936	-0.08070227	-0.49396837	0.2670108	0.4564068	0.99955183	-0.29658237	0.6937599	-0.85332114	0.57370794	0.7979936	-0.40541777	-0.48607188	-0.3200495	-0.8794224	-0.65453744	0.005944	0.84527314	0.004960879	0.54719853	-0.8296228	-0.30593058	-0.5060638	0.9886812	-0.35140368	-0.37742174	0.33974952	-0.37330455	0.4028452	-0.71184224	0.8506263	-0.1975881	-0.33502257	-0.6982093	-0.5231108	-0.21974072	0.13350697	0.0821191	-0.25671864	-0.33643454	0.8357204	0.050978005	-0.10396145	-0.8063855	0.1512204	0.6848303	-0.95900154	0.13776979	0.9265905	0.28201	-0.32269713	0.10492689	-0.5133045	-0.7463809	-0.044463504	-0.92401195	0.08051647	0.38312367	-0.073135376	0.59763634	-0.8418277	-0.21986076	-0.1344199	-0.2455421	-0.9994505	0.9254219	-0.980909	-0.2353369	0.9988236	-0.27856758	0.047079686	-0.13596798	0.058163997	-0.7670027	-0.64222604	-0.31839025	-0.83399975	-0.23965813	0.2088032	-0.38826174	-0.26371044	0.3925071	-0.40576914	0.43580145	-0.37145653	-0.3221976	-0.99993664	0.990965	0.46875742	0.028052144	-0.8413537	0.12513323	-0.016281018	-0.8079998	0.9296075	0.30517748	-0.3756066	0.5663009	-0.7882545	-0.16081396	0.74014467	0.6841401	0.36091954	-0.18059519	0.30519137	0.8243235	-0.99959415	-0.20643236	-0.6685203	0.60958153	-0.5777197	-0.3687742	0.107320316	0.7997823	-0.5117013	0.022830615	0.25531518	-0.23560858	-0.06045112	0.93310183	0.075417474	-0.8944522	0.57184166	-0.5555212	-0.12322966	-0.9422082	-0.49869287	0.12539443	-0.2878511	0.62973434	-0.9800364	0.70130646	0.23640567	-0.003535088	-0.59164923	0.57507306	0.469523	0.34355876	0.736174	0.29544193	0.5430408	0.9986686	0.6235899	-0.3400935	0.65761286	-0.6550212	0.59536386	0.99999523	0.48273298	0.36233813	0.24590544	-0.17415693	0.5190228	-0.6600501	-0.9988844	-0.051334444	-0.24271025	-0.8127506	-0.08164303	-0.092218965
482	0	O=C(OCCCCCOC(=O)c1ccccc1)c1ccccc1	0.9065183	0.27028283	-0.44071382	0.077538155	0.13051751	-0.69083613	-0.41294143	-0.13694301	0.7903561	-0.079619855	-0.07056779	-0.12242889	-0.3387831	-0.65851384	0.18551217	0.7282625	0.76918083	0.37315214	0.29736465	0.009890707	0.36403334	-0.6956019	-0.35917485	-0.13730972	0.56016487	0.35632697	-0.100330606	0.37029934	0.079766884	-0.08434553	0.15908743	-0.4937024	-0.07321336	-0.6074335	0.6264816	-0.43113104	0.6860298	0.7939476	0.9966518	-0.62611794	-0.9243217	0.051858097	-0.15217838	-0.4620016	-0.683793	-0.5882448	-0.5148215	-0.30813757	0.9981541	0.10423911	0.15821216	0.047132026	0.4326028	0.062129743	-0.5695421	-0.089329824	0.86448586	0.42985833	0.0786692	0.06406393	0.3682096	-0.5078259	0.12486383	0.10945595	-0.39703184	0.5267867	0.32140458	0.24894664	0.2527615	0.05693972	0.7148571	-0.88960195	0.24696489	0.33116022	0.68094057	0.32788473	-0.458756	0.47816324	-0.41700897	-0.9995228	0.04432478	0.39313555	-0.80266774	0.030929388	0.4724385	-0.82409686	0.001022723	-0.27572295	-0.07442257	-0.33301413	-0.23449586	-0.36351556	-0.5906386	0.37687284	0.9987818	0.1443984	-0.058456574	-0.11641319	-0.5357409	-0.2593516	-0.43409246	-0.004304729	-0.049749784	0.9978574	-0.97426164	-0.6776323	0.22667995	0.38596228	0.9915364	0.5566651	-0.35577357	0.42814013	0.4512554	0.34235314	-0.80662316	0.31573942	0.32233056	0.7547168	0.98330843	0.25934485	0.22086844	0.12303045	0.35494483	0.49296156	-0.63216585	0.30354485	-0.06717888	0.49347064	0.35860536	0.9996459	0.15836184	0.47860944	0.55825925	-0.42688552	0.16387816	-0.9396661	-0.13636623	-0.28700882	-0.06636919	0.18308622	-0.99987596	-0.30130622	0.75033426	-0.1716224	0.25825205	-0.1241397	0.6426058	-0.5184527	-0.81521225	-0.05950067	-0.00792629	-0.6356231	0.27326766	0.5140298	-0.21239829	0.4026208	0.24061666	0.6355119	0.2793564	-0.9425486	-0.76100236	0.40481472	-0.0837717	-0.123047575	0.30956787	0.46448487	-0.7130909	0.119426675	-0.12016803	-0.11015702	0.71335113	-0.29921544	0.14307328	0.33919376	0.10595516	-0.95763093	-0.2766038	0.3970195	-0.052763186	-0.17397957	0.48361954	-0.9386455	0.44098863	-0.06578195	-0.40530172	0.20734096	0.111217454	-0.0748485	-0.71990013	0.28189033	-0.8124959	-0.41092172	0.21879409	-0.041939575	-0.14942746	-0.19302894	-0.14886345	-0.862964	0.7579528	0.2586673	0.15423064	-0.5943042	-0.6538808	0.5463788	0.3295889	0.050023206	0.35536045	-0.7105191	0.1628698	-0.9999102	0.5262424	0.25395867	0.16647159	-0.40832064	-0.23815303	-0.4559262	-0.34338513	-0.41521576	0.5928401	0.09586011	-0.1511509	0.40483442	-0.07122378	-0.26452422	-0.99242705	-0.22144863	0.29313973	-0.020576367	0.48649076	0.13595928	-0.5367901	0.38920838	0.65273964	0.1959381	-0.15825939	-0.12345382	-0.36360505	0.06385011	0.13236398	0.8138803	0.83468246	-0.43335193	-0.079509445	-0.28740108	-0.054502353	-0.23585634	0.13320218	-0.3144826	0.5185902	0.13873094	0.67447835	-0.9627281	0.14493315	0.6493688	0.34442788	0.53026557	-0.2695968	0.8554819	0.6076602	-0.19345193	0.23645568	0.6938198	-0.27450854	-0.48203436	0.28289494	0.6641963	0.053503662	0.11357318	0.8335138	-0.5012434	-0.025003316	0.588959	0.084127925	-0.36264566	-0.20293777	0.8633927	-0.50501424	-0.06377048	-0.16621578	0.5469977	-0.38753715	0.99819136	-0.27535605	0.15173799	-0.5062042	-0.21089143	0.3230195	0.75929946	0.44588166	-0.5113248	-0.25379035	0.9709678	-0.22305767	-0.90708053	-0.3671361	0.69762325	0.9999355	-0.9718471	0.05492748	0.4755053	-0.6275795	-0.07379602	-0.10458585	0.18828002	-0.6963925	-0.8175302	-0.8737607	-0.33614606	0.9283678	-0.03229617	-0.52409995	0.049205136	-0.20178957	0.008628656	0.078913234	-0.18965782	-0.011587525	-0.067584604	-0.9999331	-0.35460973	-0.59680146	0.7210397	-0.2977309	-0.7584899	0.2826877	-0.2498589	-0.33053955	-0.7923574	0.54251057	0.32445887	-0.08541372	0.52881515	-0.21035469	-0.26719508	0.005506262	0.43949685	-0.5044883	0.27102402	-0.335525	0.086057514	-0.15211035	0.35378096	-0.3207859	0.8973939	0.107006796	0.007013473	-0.071015075	0.3025871	-0.3291138	-0.60347766	-0.97338086	0.7066443	0.17974189	0.7248937	0.31648633	-0.047388636	0.19812223	0.9996526	0.47030306	0.44887286	-0.49082288	0.39187008	0.5346483	-0.21117061	-0.7380982	0.5529795	-0.49277487	-0.8375729	0.11352786	0.28465754	-0.22190733	0.28917408	-0.84659123	0.5295429	-0.39968717	0.9928126	-0.49757972	0.64439523	0.016447479	-0.85084	-0.16575597	-0.58524215	0.88113093	-0.48584455	0.34047303	-0.06768474	0.444451	-0.022918725	-0.020964216	0.18293919	-0.02788574	-0.38159674	-0.053379647	-0.37558618	-0.03072375	-0.87492436	0.3611838	0.450976	-0.95958525	0.025891753	0.5565444	-0.26615825	0.0668445	-0.26396987	0.036580183	-0.38275588	-0.61380064	-0.04183927	0.019176872	-0.27646366	-0.33706325	-0.35816792	-0.54846853	-0.3705661	-0.48834184	-0.39651334	0.99999976	0.045106538	-0.97071016	0.22222735	0.9990186	-0.47905287	-0.36918896	-0.9999149	0.123391084	-0.9636836	-0.70682514	0.03668128	-0.49949056	0.19574028	0.0950878	0.07334521	0.09369921	0.44194743	-0.2677615	-0.31945172	-0.3045128	-0.18347487	-0.9999521	0.97167957	-0.17537206	0.05468798	-0.31801188	0.39775842	-0.14050974	-0.4275349	0.90247685	0.34160152	-0.19483586	0.5787681	-0.62941957	-0.17747198	-0.045732845	0.683199	0.05416183	-0.4959031	0.060849875	0.29729202	-0.99965477	-0.20654567	-0.40687126	-0.18376058	-0.5593659	-0.20792712	-0.885777	0.18238072	-0.002609143	0.04063124	-0.32873818	0.067759365	0.6315058	0.8718767	0.044006955	-0.4606179	0.06928548	0.036207158	-0.18787946	0.027379993	-0.32861823	-0.11253754	0.100889444	-0.03498437	-0.9608915	0.22370417	0.31705773	0.006578197	-0.37567565	0.34291664	0.37572733	-0.043276034	-0.25300547	-0.26818454	-0.3955108	0.9940249	0.57756597	-0.3281748	0.007247719	0.010917946	0.16429885	0.9999761	0.8347899	-0.059534304	0.35057768	0.1390298	-0.41609722	-0.20499259	-0.98776233	-0.101179846	0.34685808	-0.54773504	0.043503534	-0.06357317
483	1	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.8151993	0.41435522	-0.95685035	-0.29621774	0.5730916	-0.8299525	-0.2415031	-0.025777116	0.22035725	-0.6193436	0.19775434	0.4674559	-0.42040092	0.8997502	0.22246674	-0.9980189	-0.6590558	0.6324349	-0.08019612	-0.7448701	-0.77513766	0.3314283	0.7758512	-0.6949667	0.79455096	0.6925634	0.48553938	0.30064493	0.97972155	-0.035254765	-0.66246164	0.812608	0.37094578	0.19649842	0.25183618	0.8888507	-0.032546826	0.5448987	0.9998551	0.68320787	0.006251432	-0.3018374	0.28491247	-0.6347489	-0.24127316	0.8663588	0.7737824	0.50688803	0.9826797	-0.5143016	-0.24292596	0.35527453	-0.15666191	-0.59376293	-0.607787	-0.5290687	-0.8543004	-0.99609816	-0.88576376	-0.27157098	0.24498035	0.04914437	0.47149807	-0.36391225	0.06966552	0.5414944	0.019182738	-0.652381	-0.25644615	0.48638532	-0.8279218	0.59834266	-0.370896	0.83504176	0.7550957	-0.8153178	0.8078587	-0.61901575	-0.77216834	-0.99529886	0.2533599	0.64156365	-0.737707	-0.1737602	0.6171866	-0.8901655	0.29039013	0.2655657	0.42962614	0.6629349	0.588738	0.77467877	0.55398124	0.36693025	0.98494494	-0.46461478	0.6072523	-0.03618081	-0.4149652	0.69266456	-0.39606622	-0.33164316	-0.08887064	-0.43152183	-0.9998804	0.70317066	-0.0755213	0.2787606	-0.7432745	-0.48784938	-0.52332085	-0.29956242	-0.88346153	-0.7863392	0.5940375	0.8817034	0.21770063	0.8749675	0.8259669	-0.8090882	0.81984127	0.020913765	-0.1939454	-0.1647718	0.3037541	0.4389216	-0.5877291	-0.090607256	0.21017723	0.9998562	-0.41382656	-0.5002395	0.9176982	-0.668592	-0.31908417	-0.88769704	0.4758509	0.600601	-0.90038276	-0.7559512	0.99944544	-0.38710964	0.79657143	-0.23810159	0.43150774	0.36032146	0.81539595	0.008965394	-0.9992446	-0.18474989	-0.4605674	-0.45812997	0.031224571	-0.68828505	-0.82703185	-0.49787286	0.2572982	-0.9913277	-0.9829821	-0.34307086	0.7773006	-0.4254615	-0.6935768	-0.11187548	0.6301966	0.16827737	-0.7736033	0.5791909	-0.39267537	-0.26047078	-0.9131946	-0.92797637	-0.41985464	0.8896603	-0.4780036	-0.9387228	-0.9001348	0.68537736	0.37045833	0.71117216	-0.8155802	-0.2993698	-0.61844254	-0.9630628	0.97099185	-0.80620784	0.396936	0.74536324	-0.6274744	-0.96588504	-0.13252747	0.79460174	0.728914	0.013073267	0.014562534	0.17191502	0.48575038	-0.6375743	-0.11850836	-0.6331107	-0.8278299	0.5554598	-0.43389857	-0.7726937	0.63127863	-0.19115688	0.5745719	0.7095198	-0.756666	-0.9998942	-0.4761182	0.8428983	0.76331896	0.2734225	-0.92869186	0.45319128	-0.23780215	-0.21664284	-0.2581977	0.37373045	-0.19398029	-0.15422797	-0.2936043	-0.08721986	0.95478964	-0.26037458	0.6056442	-0.12287582	-0.06688933	-0.8601207	-0.62103206	-0.20364521	-0.06912547	0.1677465	-0.6966416	0.61862314	-0.42285112	0.476127	0.038506266	-0.1379057	0.49460006	0.9342488	0.83473533	0.009828952	-0.988876	0.16047256	-0.27289864	-0.10888672	-0.8501972	-0.12538506	0.7619954	-0.9996507	-0.8678804	0.03525478	0.18835281	-0.75291336	-0.48549497	-0.38045624	-0.45184988	0.4258936	-0.3976796	0.43465728	0.08740588	-0.6525488	0.59436226	-0.8119934	0.54124534	0.060430832	0.9622362	0.5509037	-0.8951795	0.9944662	0.7689263	0.6035235	-0.44455057	0.89776474	0.09316886	-0.9219874	0.2235526	-0.99584806	-0.5491143	0.7770135	0.02316357	0.2179135	0.31075132	0.5432162	-0.88182694	0.8663203	-0.8101418	-0.9464577	-0.73210764	-0.6641568	-0.8072055	0.56892455	0.47857645	-0.54112065	-0.99509996	-0.99805504	-0.001329101	-0.19344497	0.35257667	-0.7046435	-0.5432295	0.70068145	-0.58417284	-0.15936126	-0.99895287	0.34285092	0.031980287	0.023489345	0.5518167	-0.42444965	0.03894796	0.63545686	0.67862916	0.82532233	-0.59790593	0.22942804	-0.93081516	-0.31822038	0.2194226	0.77289224	0.87440014	0.48225632	-0.4970956	0.85999334	-0.02526443	-0.9740894	-0.9248299	-0.5106965	-0.79928035	0.22513133	-0.4527545	-0.13844481	-0.03906757	0.98418283	-0.8869604	-0.659198	-0.17606346	0.30569798	-0.78293484	0.48479715	0.8795581	-0.9477514	-0.09948904	-0.74199694	-0.027872443	0.41955867	0.64958024	-0.9754955	0.55009025	-0.32585117	0.77080166	-0.23438719	0.2812864	-0.3196705	-0.4428397	0.9998947	-0.35315064	-0.68702424	0.36245975	0.66900843	0.0143196	-0.5016747	-0.96030354	-0.13230206	0.77041173	0.91837156	0.43964657	-0.23319818	-0.27468097	0.17445105	0.9115398	-0.29329208	0.3616755	1	0.54661375	-0.7527507	-0.02100903	-0.5282038	-0.83084875	-0.17559816	-0.8355571	0.373226	-0.28580594	-0.4547017	-0.5387328	0.8334144	0.69512904	0.64656645	-0.09959383	-0.39166197	0.47896442	0.4299745	0.41488126	-0.99941975	-0.80643815	-0.7092336	0.78215826	-0.5712962	0.5947721	-0.37115365	0.00768702	-0.25726798	-0.1378103	-0.47920293	0.012728998	0.2559459	-0.541727	-0.18477239	0.76384705	0.09266165	-0.11056208	0.6750508	0.7324669	0.826645	0.99981236	0.349866	-0.9940438	0.17295505	0.9976265	-0.9802184	-0.37253967	-0.9990562	-0.3682513	0.15513727	0.11384456	0.21227524	-0.30410066	-0.4135861	0.47790855	-0.970649	0.10715904	-0.4321667	-0.6789699	-0.36779281	-0.3650716	0.07915974	-0.9998731	-0.99999976	0.24057598	0.34634554	0.37796283	-0.3896425	0.54802734	-0.7861716	-0.35071987	-0.36033884	-0.8347651	0.8541353	-0.7127701	0.2266582	0.20413412	0.3379378	0.30636993	0.4990706	-0.7395416	0.9771856	-0.9975343	0.7070963	0.6577618	0.40711525	-0.10915859	0.1210022	-0.91010994	0.21979406	-0.39537445	0.20330553	0.51666766	-0.075144544	0.43547317	-0.94959354	-0.35269782	-0.41400382	-0.34686735	-0.7860362	-0.6388484	0.46094432	-0.5848702	0.08737772	-0.83307695	-0.8481766	-0.9995492	0.21847412	-0.37780702	-0.04146849	-0.16187614	0.38206917	-0.23485088	0.91628677	-0.79480034	0.23460154	0.4526258	0.99943954	-0.37639692	0.85541904	-0.1474275	0.3759387	0.4258287	0.98638165	0.91664225	-0.80972	-0.19796528	-0.43393862	-0.77183497	0.9012535	-0.99901223	-0.034168296	0.551044	0.98601705	0.8893995	0.0775558
484	1	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.72544765	0.2630908	-0.9415616	-0.45250794	0.54586643	-0.7944073	-0.25820377	-0.21154669	0.23994532	-0.46359146	0.22001939	0.35262063	-0.31826985	0.86453277	0.22482497	-0.9917456	-0.55485886	0.55363727	-0.02891942	-0.65191877	-0.49823642	-0.2756492	0.6337805	-0.64738435	0.7424421	0.57745075	0.46532804	0.42230815	0.96432424	-0.045442283	-0.45321846	0.85036975	0.21760412	0.07443829	0.2408693	0.7783901	0.1067493	0.45928442	0.99877846	0.3252513	-0.80963784	-0.18612538	0.1821195	-0.4816617	-0.10701169	-0.70519817	0.721498	0.4916165	0.95952296	-0.3853035	-0.14004233	0.46543118	-0.18949167	-0.5052053	-0.7779728	-0.440051	-0.8618134	-0.8580697	-0.8061342	-0.2529117	0.2949432	-0.030645601	0.3833753	-0.28455326	0.001570031	0.45584595	0.0431289	-0.53985566	-0.2367695	0.40064284	-0.59619296	-0.64462847	-0.3091505	0.8144694	0.63413966	-0.7098158	0.76569563	-0.51361567	-0.737433	-0.9976959	0.115422525	0.6005353	-0.47150552	-0.21156007	0.5262687	-0.48412526	0.3633245	0.21940352	0.3435806	0.5669857	0.52528334	0.79940045	0.4889029	0.3496981	0.98496187	-0.3732614	0.3630229	-0.040001184	-0.28298482	0.64146113	-0.39707738	-0.36488837	-0.22917782	-0.5587782	-0.992494	0.49921522	0.098146744	0.24556378	-0.7407682	-0.47456354	-0.4810014	-0.26757348	-0.8479377	-0.813378	0.42002612	0.8152107	0.0860392	0.7514544	0.9969148	-0.777844	0.75468564	0.023560736	-0.133137	-0.20369515	0.091904856	0.4361314	-0.5680584	-0.04625035	0.20383728	0.99949116	-0.35747248	-0.40747672	0.8765427	-0.6349064	-0.3582291	-0.8805679	0.53471726	0.48525858	-0.865608	-0.6717619	0.99952877	-0.44511098	0.9475944	-0.1495671	0.53370655	0.43344697	0.7573887	0.027703213	-0.84354854	-0.29885554	-0.3969312	-0.57420576	-0.20535412	-0.57997406	-0.79050606	-0.35461804	0.2630191	0.15676166	-0.95689243	-0.5187074	-0.69847566	-0.2564197	-0.661129	-0.17157663	0.42688254	0.1257975	-0.7532029	0.5720387	-0.40655065	-0.27733526	-0.90316224	-0.89493954	-0.21895626	0.82136226	-0.21788707	-0.9609104	-0.86147434	0.562393	0.25909814	0.631681	-0.72658235	-0.6243848	-0.53517985	-0.9431811	0.7876781	-0.6692763	0.4736336	0.6685238	-0.45830584	-0.9264792	0.201754	0.6955053	0.64388007	0.07137769	0.07516988	-0.07374125	0.5582366	-0.41799566	-0.12916936	-0.5317201	-0.77230793	0.5467235	-0.37629747	-0.6981453	0.5691704	-0.17259036	0.5809895	0.7184532	-0.7461733	-0.9998671	-0.27535728	0.8094856	0.72427696	0.026751665	-0.89524895	0.4498493	-0.16186321	-0.050533433	-0.17325765	0.267994	-0.26968712	-0.25880787	-0.1547138	0.008258957	0.97170573	-0.29864863	0.52778286	-0.14293554	-0.11461489	-0.781354	-0.6233031	-0.2163741	-0.124898374	0.01937594	-0.6259982	0.4914215	-0.40607804	0.4362154	-0.001181067	-0.002278884	0.5637359	0.89390546	0.74354196	-0.11410639	-0.9757793	0.2042997	-0.17789496	-0.113967545	-0.7844996	-0.18793467	0.69290614	-0.9998476	-0.85022205	0.031184273	0.16690235	-0.6513196	-0.43093777	-0.23042949	-0.31619015	0.43110543	-0.24261743	0.3948528	0.15165734	-0.6039485	0.54963666	-0.7297103	0.5213745	0.32660004	0.93349236	0.3916735	-0.88332987	0.9656488	0.7276094	0.52762103	-0.4093489	0.8918943	0.1283232	-0.87753356	0.19765894	-0.98788214	-0.51427144	0.99515766	-0.14273374	0.3234516	0.39082977	0.34785113	-0.81277937	0.47718707	-0.53328675	-0.9107849	-0.5913725	0.95628065	-0.7649047	0.69009155	0.35878095	-0.513472	-0.99708515	-0.99250674	-0.11781916	-0.06513275	0.33077413	-0.57646203	-0.41800657	0.7213985	-0.5534942	-0.025480168	-0.8520409	0.15822883	-0.3336248	0.06791891	0.49651763	-0.34744683	-0.11390654	0.40169975	0.46945056	0.70898604	-0.47230923	0.18229425	-0.9519299	-0.36782697	0.1550917	0.69506896	0.8093672	0.49050707	-0.4502736	0.7946263	-0.002457401	-0.9673759	-0.8828046	-0.42013976	-0.69543517	0.16887537	-0.5399621	-0.06691804	-0.024676234	0.86771053	-0.814297	-0.49950358	-0.28457236	0.21888027	-0.5816936	0.38384485	0.7978272	-0.86548924	-0.11759654	-0.6676732	0.055158563	0.26544636	0.518013	-0.509582	-0.8457631	-0.25795025	0.78016335	-0.051682673	0.20853327	-0.28244567	-0.42008895	0.99993485	-0.15300585	-0.3783215	0.38708362	0.63647527	0.02771242	-0.393662	-0.8483799	-0.1491342	0.7323421	0.89277726	0.4104321	-0.19153418	-0.17683421	0.013866296	0.88414204	0.4606936	0.41905314	1	0.37357232	-0.701987	0.1496716	-0.5352202	-0.91786355	-0.15193045	-0.8217559	0.24210373	-0.2113813	-0.32581204	-0.36922595	0.82766837	0.61051166	0.6133425	0.03712487	-0.33742025	0.30145606	0.45341134	0.28083277	-0.997991	-0.67547446	-0.37510446	0.83524007	-0.27319723	-0.032466277	-0.28960186	0.07760021	-0.15319845	-0.1286779	-0.28826162	-0.1656196	0.25278777	-0.4908455	-0.08497725	0.73638445	0.096501894	-0.08310548	0.6138807	0.6545046	0.7696897	0.99990386	0.20042253	-0.99080795	0.06405946	0.99925405	-0.95032805	-0.36497045	-0.99866635	-0.43443808	0.5503829	0.33538145	0.041291747	-0.3615977	-0.33125687	0.47543848	-0.8105362	0.058131214	-0.5184723	-0.56571233	-0.44064972	-0.26965973	-0.06764504	-0.9999868	-0.99999994	-0.9160847	0.38572264	0.23433569	-0.31054422	0.5301163	-0.7006409	-0.68146336	-0.42934105	-0.81096935	0.79905206	-0.7347509	0.06886176	0.15266146	0.27743262	0.28126144	0.3322932	-0.63465166	0.08362363	-0.99990404	0.5464041	0.5373435	0.309895	-0.16871065	0.036922023	-0.92617726	0.14287765	-0.29342303	0.25171706	0.4939937	-0.009789701	0.4081118	-0.95467824	-0.36607146	0.16462222	-0.30878174	-0.8043342	-0.6076495	0.30176306	-0.5351448	0.07323515	-0.71450603	-0.7014826	-0.992486	0.14775951	-0.25280458	-0.2122482	-0.14513363	0.3225257	-0.17934431	0.88312566	-0.6909787	0.22101757	0.48287925	0.9877973	-0.33778214	0.83209276	-0.24880777	0.3261441	0.41055813	0.9954386	0.87545365	-0.7728395	-0.38001105	-0.45530495	-0.73597753	0.8636146	-0.99464905	0.013267601	0.32616606	0.9607932	0.8356375	0.14707428
485	0	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.6924018	0.22460055	-0.9346321	-0.47438842	0.51489294	-0.7684889	-0.27783614	-0.3053213	0.24676508	-0.39491126	0.24870259	0.31420702	-0.2794173	0.84005517	0.2204619	-0.98520035	-0.505853	0.5522794	0.033326853	-0.5973259	-0.36649963	-0.4639494	0.5633806	-0.61685604	0.7108702	0.5097916	0.48748222	0.43515393	0.95243037	-0.048503004	-0.37165767	0.86086375	0.17237116	0.007752943	0.21410388	0.7129629	0.1576391	0.44336984	0.9953442	0.10418793	-0.9190151	-0.15894216	0.15988442	-0.4139869	-0.05064221	-0.9248613	0.70201313	0.46663603	0.94162625	-0.34848782	-0.09572389	0.5108801	-0.21906908	-0.47625855	-0.8176298	-0.40587735	-0.8640663	-0.5254231	-0.77023375	-0.2548673	0.29738215	-0.1098859	0.37244114	-0.25879407	-0.018411288	0.41533032	0.06961466	-0.4803383	-0.23987924	0.3440347	-0.46093616	-0.8588774	-0.2645775	0.8100097	0.5673408	-0.6250038	0.7359851	-0.46563795	-0.7115175	-0.998236	0.08007514	0.58453435	-0.34594765	-0.24856077	0.50274885	-0.15697287	0.41135386	0.20755199	0.3075315	0.51395214	0.49479008	0.8045001	0.468987	0.33312568	0.9833719	-0.33723122	0.2765583	-0.04814607	-0.24198823	0.6018893	-0.3842998	-0.37430435	-0.27521065	-0.65443677	-0.9506776	0.42281246	0.16002977	0.23395972	-0.75412834	-0.45052445	-0.47376394	-0.2788832	-0.8217153	-0.8231144	0.35411137	0.77687067	0.043907844	0.66808474	0.9989153	-0.7502877	0.7093608	0.019091578	-0.13624027	-0.19057055	0.001785969	0.4302047	-0.5688742	-0.051327515	0.21708395	0.9991492	-0.32499534	-0.4001936	0.8527877	-0.60880864	-0.37591055	-0.86530936	0.5570134	0.4286731	-0.84460664	-0.61705405	0.99949074	-0.4634841	0.96657246	-0.09730619	0.56925607	0.4473566	0.7320288	0.03829026	-0.19232155	-0.31709242	-0.36335933	-0.6123999	-0.297191	-0.52292156	-0.7646623	-0.3093439	0.23453738	0.8280892	-0.9388128	-0.5574243	-0.8969121	-0.18639222	-0.65010154	-0.18066421	0.33507675	0.111111134	-0.74045306	0.5813323	-0.3971828	-0.28470805	-0.89663076	-0.8710741	-0.1293772	0.788413	-0.11015926	-0.9682097	-0.8467667	0.4828603	0.19904783	0.58871317	-0.6726259	-0.699279	-0.4883473	-0.9330941	0.5867217	-0.60786176	0.4872422	0.62825215	-0.3944118	-0.89886457	0.3241755	0.65344	0.6100918	0.054108586	0.09912281	-0.1823946	0.57392806	-0.3546574	-0.13825507	-0.5004383	-0.7563495	0.5272544	-0.386887	-0.6718021	0.5479693	-0.16913302	0.5687052	0.71971	-0.7456594	-0.99973595	-0.19731548	0.7917404	0.70814604	-0.057483386	-0.87286764	0.46471143	-0.15577886	-0.005436679	-0.12269117	0.25025374	-0.2779951	-0.30508485	-0.08752836	0.058453552	0.97931254	-0.3101017	0.48858136	-0.14955339	-0.11739837	-0.7536187	-0.6270233	-0.23889129	-0.11677286	-0.029314257	-0.593577	0.4185977	-0.40500298	0.39973888	-0.013717995	0.046128336	0.61144924	0.85666174	0.68992	-0.16959108	-0.96440834	0.19677477	-0.1462842	-0.11613486	-0.7587688	-0.19320168	0.6550092	-0.9998853	-0.8381874	0.020714624	0.18235189	-0.59451467	-0.40806386	-0.17140646	-0.25762668	0.43173724	-0.20369498	0.40049765	0.16389634	-0.58336276	0.5193558	-0.6818417	0.5113365	0.42145306	0.89972544	0.35492072	-0.87127066	0.9151884	0.7180228	0.47678614	-0.39655107	0.8901202	0.13025956	-0.85329014	0.16543362	-0.98116994	-0.5240495	0.9981193	-0.2065577	0.35775545	0.40403256	0.26257834	-0.79361916	0.2238064	-0.32643288	-0.8847024	-0.5131516	0.991388	-0.7435505	0.73399854	0.29346707	-0.49343485	-0.99736154	-0.98609376	-0.18282343	-0.027341548	0.32370865	-0.5110546	-0.35107067	0.7188302	-0.54722273	0.044378135	-0.16596083	0.08570029	-0.4293464	0.057606947	0.4659979	-0.30512097	-0.15469477	0.306323	0.38108382	0.6491757	-0.40865526	0.18603218	-0.95677525	-0.40211537	0.12572944	0.66269267	0.7706576	0.45758542	-0.41696104	0.7620493	0.005709752	-0.96496695	-0.8531308	-0.4078674	-0.6390337	0.120370194	-0.53937227	-0.06757758	-0.018316729	0.72277606	-0.78323084	-0.41794917	-0.32162926	0.19652142	-0.45195585	0.34902298	0.74511045	-0.8014035	-0.09047187	-0.62880534	0.09582482	0.23146898	0.49675795	0.081425704	-0.94365776	-0.23588504	0.7686239	0.006050028	0.15655828	-0.25993988	-0.42252412	0.9999346	-0.093160465	-0.2688076	0.36807966	0.5980963	0.055043306	-0.35518274	-0.76161075	-0.102966495	0.71482325	0.87860006	0.37710723	-0.18377466	-0.13242112	-0.06555121	0.86654764	0.6772034	0.43198135	1	0.2963773	-0.6743691	0.21481511	-0.53069645	-0.9365606	-0.15354754	-0.8106986	0.20299213	-0.1437649	-0.24718377	-0.2887887	0.8193389	0.5773513	0.5980158	0.06526098	-0.30934304	0.21832572	0.45520514	0.22190146	-0.9958626	-0.59788376	-0.19228917	0.84583116	-0.12509008	-0.29088098	-0.25307053	0.10629525	-0.13130528	-0.10772936	-0.22410901	-0.26326373	0.25707364	-0.4547019	-0.0708599	0.7266127	0.1373868	-0.06929084	0.5804265	0.6222422	0.7447694	0.9999198	0.16831467	-0.98822653	0.029825693	0.99952024	-0.93015224	-0.36431295	-0.9984904	-0.45175526	0.6525431	0.40189254	-0.015126392	-0.38200694	-0.31955242	0.47307992	-0.64573205	0.044676118	-0.53945655	-0.52486616	-0.46991	-0.2421321	-0.10467065	-0.9999893	-1	-0.97457236	0.37100545	0.15992427	-0.2928113	0.5257315	-0.6581381	-0.7518298	-0.42054448	-0.78754586	0.76313704	-0.7372945	-0.000914704	0.15084085	0.24802639	0.26508582	0.2618412	-0.57334256	-0.6188981	-0.99994516	0.45209348	0.46249098	0.27527222	-0.18735033	0.003680049	-0.9290315	0.07476082	-0.25149244	0.28412855	0.48736188	0.043447435	0.39217466	-0.9529828	-0.34872177	0.42018434	-0.29440534	-0.80170226	-0.5792428	0.20830745	-0.5195913	0.0651148	-0.6615537	-0.600449	-0.97612715	0.114804074	-0.22046237	-0.23218174	-0.13969775	0.29947674	-0.14823824	0.86683834	-0.6474324	0.2322317	0.47336692	0.9349099	-0.32245618	0.816212	-0.28089443	0.30438805	0.3977948	0.9967598	0.84799236	-0.7488239	-0.426587	-0.4400679	-0.72310585	0.8407635	-0.98315865	0.012273469	0.2238873	0.9401136	0.8189429	0.19743082
486	1	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.7881616	0.36123216	-0.9526886	-0.35908753	0.56746715	-0.8222381	-0.24191627	-0.081232436	0.2253497	-0.5763282	0.19427386	0.42879334	-0.38485336	0.89131296	0.2228264	-0.99695563	-0.62793714	0.6005173	-0.07263416	-0.72039586	-0.6994126	0.13492694	0.74015033	-0.6823283	0.7811678	0.66302913	0.46662423	0.3530404	0.97643083	-0.037398595	-0.6018599	0.82884973	0.32092965	0.16807912	0.25541037	0.86175245	0.010616149	0.5164059	0.9997755	0.60044116	-0.3219703	-0.26016742	0.2474861	-0.59155136	-0.2034691	0.5347661	0.75609994	0.5077087	0.9779487	-0.4687575	-0.21053508	0.38807148	-0.16210884	-0.56869614	-0.67199546	-0.5045504	-0.855615	-0.98790044	-0.8626226	-0.26511213	0.27058345	0.04275432	0.4381013	-0.3396763	0.04995399	0.51713765	0.022379678	-0.6242807	-0.24625337	0.46670207	-0.7759432	0.21166174	-0.36353716	0.82887787	0.7209856	-0.79394686	0.79908276	-0.58552456	-0.7667801	-0.9962418	0.19989163	0.6307444	-0.66523117	-0.16984014	0.58779913	-0.81757385	0.3029099	0.24896923	0.40655887	0.63929677	0.56932247	0.78339255	0.53281766	0.36350316	0.98577553	-0.43530226	0.533326	-0.03818996	-0.37181443	0.6842626	-0.39765432	-0.33929422	-0.13779268	-0.44145706	-0.9996276	0.64181995	-0.025086336	0.26883826	-0.73850286	-0.49133217	-0.5091718	-0.28406498	-0.8766329	-0.79425997	0.54181916	0.8651028	0.1754772	0.84708965	0.959087	-0.8021338	0.8041111	0.023649042	-0.1674912	-0.19299093	0.24181081	0.4403918	-0.5782696	-0.074129276	0.19716085	0.9997902	-0.40035555	-0.4632804	0.90815926	-0.66019416	-0.32875267	-0.8905427	0.49344072	0.5700443	-0.8925338	-0.73453015	0.9995081	-0.40596727	0.8688843	-0.22250722	0.4573604	0.38722962	0.79754287	0.012409781	-0.9960093	-0.22768761	-0.44609037	-0.49135658	-0.042999566	-0.6587372	-0.81985503	-0.4509163	0.2677944	-0.9467093	-0.97698104	-0.40732694	0.36868086	-0.373149	-0.68459123	-0.13492031	0.5707068	0.14991657	-0.7688254	0.5695274	-0.39864352	-0.2706512	-0.91145283	-0.9206919	-0.36161	0.87135243	-0.40066394	-0.945954	-0.88827294	0.6548566	0.34122694	0.6913099	-0.7916849	-0.42452592	-0.5970263	-0.95738316	0.9440328	-0.7673664	0.43107083	0.7260007	-0.57358736	-0.957055	-0.03438646	0.76586515	0.70164406	0.042141538	0.028630419	0.10333795	0.51258415	-0.5650644	-0.115017936	-0.5972868	-0.80881673	0.55770445	-0.4113201	-0.7493853	0.61215734	-0.1851423	0.5802929	0.71058315	-0.751468	-0.9999096	-0.41955674	0.8332606	0.7521177	0.18735747	-0.92175126	0.44845456	-0.20538375	-0.15535241	-0.23968275	0.33205122	-0.22544017	-0.17892219	-0.25298592	-0.06565106	0.9586887	-0.27377725	0.5849009	-0.13249093	-0.08831545	-0.83432466	-0.621216	-0.20158184	-0.09633959	0.11540643	-0.677415	0.5845346	-0.41309232	0.46815965	0.026119772	-0.0883488	0.5095933	0.92675424	0.8123401	-0.02474257	-0.9862743	0.18404174	-0.23820469	-0.111360215	-0.83008033	-0.1510946	0.74381363	-0.9997289	-0.86416954	0.03222539	0.17243622	-0.7273778	-0.47084543	-0.33492303	-0.41411754	0.4285948	-0.3363457	0.41538784	0.109833725	-0.64140797	0.5826104	-0.7929359	0.5354882	0.15104868	0.95935684	0.48887235	-0.8936835	0.99101216	0.75367767	0.5898139	-0.43245554	0.89574534	0.10043692	-0.9114289	0.22182353	-0.9941921	-0.5306231	0.9451065	-0.03102741	0.25930008	0.34197986	0.48531798	-0.85864896	0.7849498	-0.75955075	-0.9383912	-0.6938081	0.1273624	-0.79616326	0.60577667	0.45170018	-0.53416747	-0.9960011	-0.9971647	-0.032145765	-0.14735267	0.34390646	-0.67057467	-0.5065983	0.70816004	-0.572104	-0.12408841	-0.99568427	0.28311175	-0.09969608	0.04709714	0.5385547	-0.40395945	-0.010045622	0.5672739	0.6195193	0.79406685	-0.5672673	0.20077598	-0.9391983	-0.328554	0.20149484	0.7492049	0.85894245	0.5009355	-0.48702654	0.84223664	-0.016873924	-0.9720795	-0.91526806	-0.47435653	-0.7733808	0.21268006	-0.49366543	-0.10504449	-0.034578566	0.9686781	-0.86655563	-0.6159444	-0.21064863	0.2747791	-0.73866236	0.44574338	0.8620191	-0.92909336	-0.11846446	-0.72223216	-0.002807297	0.36427784	0.59720516	-0.93528473	-0.045279767	-0.30852565	0.77799517	-0.16796279	0.26400003	-0.30822268	-0.4310681	0.99991304	-0.28676724	-0.5950389	0.3765773	0.6686788	0.01511858	-0.4698353	-0.9383031	-0.1637382	0.76143295	0.91056484	0.44089645	-0.21671918	-0.24766257	0.12869383	0.9045315	-0.058408774	0.38114336	1	0.4967559	-0.7406481	0.03394914	-0.532247	-0.8667288	-0.16653198	-0.8324014	0.32893786	-0.27789566	-0.42689258	-0.49288264	0.8348833	0.66811615	0.63868505	-0.045319304	-0.37273443	0.4347748	0.43920517	0.37329295	-0.99923366	-0.771822	-0.625581	0.8034312	-0.49195346	0.43213883	-0.34739104	0.025369864	-0.21737689	-0.13908707	-0.42155525	-0.03552975	0.2512376	-0.53274804	-0.14456677	0.7561236	0.08183477	-0.10341065	0.6579668	0.7110023	0.8083922	0.99985147	0.29226974	-0.993386	0.13386571	0.9983037	-0.97336346	-0.3696426	-0.99893844	-0.38796076	0.296929	0.1897424	0.16142748	-0.32438326	-0.38089198	0.4752126	-0.94598067	0.08669533	-0.46344814	-0.64285904	-0.3894671	-0.33244708	0.023758447	-0.9999552	-0.9999999	-0.33204275	0.36650681	0.3418987	-0.36045033	0.53933525	-0.76236504	-0.48428744	-0.39797664	-0.83019334	0.8421956	-0.72220355	0.1827804	0.18366216	0.3227358	0.29662248	0.4474249	-0.7129372	0.9163305	-0.9993568	0.6652409	0.6288689	0.3720825	-0.1291815	0.09555465	-0.9169651	0.20696238	-0.36913827	0.20965023	0.5068304	-0.0681997	0.43175226	-0.9530596	-0.3659138	-0.254596	-0.33574387	-0.79540884	-0.63517267	0.41804844	-0.56926924	0.08155095	-0.8000596	-0.8139736	-0.9989522	0.20067829	-0.32964146	-0.11054573	-0.1592647	0.36399105	-0.22471249	0.9069051	-0.76386327	0.22462615	0.46697932	0.99884844	-0.36421573	0.8487445	-0.18172263	0.36008915	0.4233039	0.99071926	0.90667874	-0.8017944	-0.26592395	-0.4512542	-0.7614481	0.89200175	-0.99865484	-0.010859129	0.4866773	0.9807764	0.87241393	0.08842652
487	1	NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.75966555	0.47276935	-0.84336627	-0.26527247	0.77252895	-0.81465375	-0.59431815	-0.37296358	0.047485754	-0.7567665	0.5325312	0.4328861	-0.25812218	0.9181626	0.16912754	-0.9965511	-0.5152468	0.3033059	-0.24473926	-0.8430759	-0.4025155	0.57827735	0.63112956	-0.7751253	0.6797421	0.7056129	0.61364466	0.5845641	0.96014994	-0.12402318	-0.43649292	0.6534036	0.20301838	-0.23080742	0.32555538	0.8964497	0.18560687	0.7496957	0.99988496	0.71400106	0.1605779	-0.19413842	-0.004389876	-0.61019605	-0.004611353	0.75375664	0.87732863	0.67625195	0.9801534	-0.66237944	-0.6357935	0.02795429	-0.30367175	-0.060889687	-0.621	-0.3480207	-0.82814735	-0.9939241	-0.8988328	-0.37622893	-0.13013169	0.42479438	0.11469261	-0.036014203	-0.15083638	0.862197	0.14577585	-0.6188944	-0.2197633	0.50477433	-0.7805375	-0.5481978	0.37018642	0.85078084	0.3050899	-0.77103406	0.7832358	-0.67714965	-0.6288672	-0.99813795	0.1058261	0.2768604	-0.8253651	-0.31107184	0.28140897	-0.68628067	0.20718467	-0.25831705	0.38058805	0.68710065	0.47502336	0.45961788	0.21978416	-0.43370026	0.98734057	-0.29182115	0.13346739	-0.08434026	-0.21708867	0.17260048	-0.25054914	-0.4847301	-0.25573224	-0.39895403	-0.9998276	0.5272463	-0.008504438	0.35661757	-0.8347855	-0.042766318	-0.7733112	0.047054753	-0.92513925	-0.74588984	0.67636275	0.35547623	0.33708876	0.82981664	0.9287625	-0.8402725	0.671215	0.20196778	-0.24073692	-0.57142013	0.5839862	0.68723154	-0.8110778	-0.106393985	-0.23728669	0.9994515	-0.3696236	-0.5562329	0.9225907	-0.565706	0.28791445	-0.87483895	0.46861842	0.6012052	-0.8979916	-0.75526714	0.9993336	-0.47968054	0.6876724	-0.07726084	0.4912846	0.26137197	0.81127775	-0.124197006	-0.99868727	-0.1929704	-0.6693003	-0.39455062	-0.30880943	-0.82994115	-0.8546233	-0.47068807	0.31904832	-0.9776964	-0.9713045	0.12979293	0.5917899	-0.6918459	-0.55043924	0.19400482	0.28331327	0.42063206	-0.78601897	0.13909622	-0.3300344	-0.44075686	-0.89049536	-0.8151007	-0.17133251	0.6766948	-0.3719545	-0.8849385	-0.88181776	0.6900214	0.62571055	0.3112983	-0.6779638	-0.9310006	-0.43936217	-0.950875	0.9619639	-0.42661124	0.6891955	0.7093505	-0.6698592	-0.9667719	-0.17390656	0.7355867	0.6829356	0.13396671	0.4225036	0.21260473	0.43405712	-0.5209414	0.048452772	-0.5033724	-0.7882803	0.26769355	-0.47968867	-0.89011127	0.43597206	0.31858957	0.52387434	0.49566996	-0.7999598	-0.9999433	-0.08031664	0.7965732	0.44660965	0.1381997	-0.8546962	0.5127965	0.18554443	-0.1451322	-0.075856	0.52666134	0.22169164	-0.15377206	-0.15810628	-0.044454597	0.95083416	-0.34256226	0.60915214	-0.099738955	-0.087596886	-0.89097786	-0.6814445	-0.47422817	-0.27513206	-0.18963392	-0.8012406	0.42255184	-0.14709005	0.59704566	0.20675196	-0.6659096	0.46603027	0.9108065	0.8927245	0.37770948	-0.98504287	0.42271546	-0.42366904	-0.5504777	-0.6654305	-0.28203642	0.7456103	-0.9996711	-0.49785972	0.43656516	-0.30998027	-0.60472494	-0.5595796	-0.6595617	-0.70876914	0.383023	-0.61645156	0.25534537	0.09644691	-0.3518452	0.5882808	-0.8526585	0.579083	-0.19583842	0.87131655	0.29589516	-0.86889786	0.99825317	0.7527264	0.6936406	-0.07154512	0.91102	0.40755635	-0.87758696	0.41552836	-0.9925096	-0.12139552	0.89236426	-0.29471245	0.17979777	0.38773438	0.44878045	-0.9073554	0.81324726	-0.96645725	-0.96603286	-0.7204239	-0.26940483	-0.8321337	0.57886153	0.5192765	-0.55022144	-0.99650824	-0.99440235	0.019485286	-0.47582883	0.059575364	-0.58777195	-0.6347323	0.8108962	-0.22632883	-0.001787124	-0.9968629	0.32534492	-0.08105748	0.020208443	0.6199489	0.10717031	0.18900862	-0.027254796	-0.2981953	0.9042922	-0.35882288	0.4314339	-0.9434708	0.014117568	0.6626131	0.661493	0.5999466	0.63742924	0.10950901	0.7952043	0.15793397	-0.94275683	-0.94924176	-0.30594698	-0.60548824	0.41142327	-0.01964241	0.1601658	-0.124514	0.93489826	-0.92528164	-0.86722344	-0.20698434	-0.2522566	-0.8924161	0.33821252	0.8407595	-0.90010643	-0.118060105	-0.7282488	0.18583032	0.49114048	0.6632886	-0.958078	0.32267255	-0.15083462	0.89293045	-0.46909592	-0.20054534	-0.32469052	-0.29627618	0.9999568	-0.37604126	-0.54949576	0.053074352	0.7826938	0.11783703	-0.43325898	-0.9270472	-0.20729756	0.74357665	0.8911504	0.21588467	-0.2885766	0.35830542	0.10462896	0.90963036	-0.18411241	0.04279182	1	0.22030334	-0.7055025	0.12435661	0.036108393	-0.8713426	-0.28382432	-0.83808696	-0.3330894	-0.13034326	-0.5109601	-0.7618752	0.79019266	0.6996399	0.7003763	0.11338635	-0.5809117	0.7368469	0.52162796	0.70786977	-0.9993121	-0.70013356	-0.6911758	0.78126615	-0.09524295	0.75627184	-0.3684487	0.32425344	-0.56406236	-0.27232173	-0.2190596	0.018221958	0.094601125	-0.5097886	-0.07974231	0.71106964	0.03192477	0.4014894	0.69549227	0.653299	0.87033623	0.99989754	0.12451055	-0.9921386	0.22779147	0.99888	-0.980898	-0.48545733	-0.9992841	-0.477959	0.06477579	0.29444858	0.45413965	-0.5122467	-0.4972045	-0.03834879	-0.8738512	0.2540791	-0.62296724	-0.54144424	-0.48908067	-0.647908	-0.09277678	-0.9999603	-0.99999964	-0.22804455	0.17829396	-0.04195458	-0.6823955	-0.1814419	-0.617246	-0.45325184	-0.43052277	-0.85817933	0.79993236	-0.69394296	0.18451257	-0.009459973	0.26005638	0.35406682	0.6985323	-0.64270735	0.9536615	-0.9988453	0.6884841	0.8865262	0.42138228	-0.545155	0.19466692	-0.56632864	0.4516197	0.17604001	0.50425506	0.5050231	0.097381964	0.5851223	-0.95647997	-0.49632943	-0.39194033	-0.3902077	-0.57324815	-0.55850244	0.64800066	-0.7277129	0.5258058	-0.8980048	-0.67830384	-0.99965715	0.283661	-0.072164305	-0.04393886	-0.5216146	0.7507993	-0.48258325	0.9219936	-0.7421864	0.28002676	0.63063866	0.9988975	-0.1297217	0.8793703	-0.17062293	0.4358765	0.2502626	0.9900202	0.8228728	-0.7832668	0.003652062	-0.22774324	-0.6629314	0.86118037	-0.9987604	-0.21039191	0.32550105	0.9761047	0.86548233	-0.016999254
488	1	O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.593825	0.45890525	-0.9620628	-0.03269878	0.71134377	-0.8054315	-0.54103976	-0.4005082	0.010029534	-0.62553775	0.5129811	0.40720552	-0.56210226	0.8930465	0.1796277	-0.9966921	-0.5935085	0.61263156	-0.10745866	-0.8554618	-0.5738731	0.5765325	0.7072851	-0.750048	0.5004215	0.7594811	0.6058513	0.43243247	0.97229415	-0.15083477	-0.46138448	0.7320809	0.07748427	-0.106371894	0.08858589	0.90573156	0.24778837	0.47081843	0.9998911	0.58526784	0.09767277	-0.14793576	0.21650465	-0.3658727	-0.26506773	0.7575052	0.84355897	0.4063496	0.98258984	-0.13262357	-0.5274867	0.16933717	-0.33303437	-0.34868416	-0.56719923	-0.1709569	-0.8490182	-0.9938904	-0.8955367	-0.18766056	0.0737496	0.19027916	0.40249568	-0.31841284	-0.4744954	0.66143507	-0.028131992	-0.6345582	-0.26722035	0.59584516	-0.6585594	-0.057401694	0.03882055	0.8721723	0.57104295	-0.8150076	0.751608	-0.67386115	-0.72793543	-0.99875605	-0.21818388	0.53755325	-0.61376333	-0.32506636	0.51962364	-0.7681218	0.22503988	0.011849011	0.3650729	0.5294428	0.6244498	0.7013153	0.46464834	-0.3214296	0.9904461	-0.30669734	0.47133896	-0.04712015	-0.58953124	0.39346167	-0.1905704	-0.49772424	-0.27860007	-0.45782262	-0.9998536	0.43761355	-0.016053742	0.5207978	-0.7193453	-0.24101019	-0.7023222	-0.3963641	-0.9267282	-0.7821645	0.50509447	0.6684685	0.4345195	0.85999036	0.91631603	-0.81665295	0.71300656	-0.051409394	-0.4276764	-0.29496607	0.21989687	0.551363	-0.68333834	0.023898363	-0.006119383	0.9997644	-0.35042483	-0.4216467	0.922512	-0.65013564	0.18925117	-0.9142095	0.4564625	0.6589199	-0.8822208	-0.64166075	0.99917483	-0.6216322	0.69573975	-0.096689545	0.40977892	0.18273224	0.7895916	-0.033773355	-0.99900115	-0.23962742	-0.65985227	-0.5923153	-0.12132778	-0.7328017	-0.7637217	-0.30942535	0.4792978	-0.98269826	-0.9812196	-0.35382453	0.630855	-0.47769734	-0.6275349	-0.03491095	0.26195687	0.50031245	-0.74840724	0.2364665	-0.43479875	-0.39289182	-0.9147426	-0.93045014	-0.10973223	0.8022632	-0.49704686	-0.9280843	-0.8866325	0.80086285	0.15066154	0.44150138	-0.73240626	-0.88715947	-0.6445766	-0.96412903	0.9697081	-0.69373745	0.6198263	0.61288613	-0.7193411	-0.95634216	0.002181508	0.7879339	0.77231866	-0.21944486	0.20595285	-0.11496358	0.50713754	-0.5301745	0.044371456	-0.49238443	-0.72280097	0.32464617	-0.27324092	-0.873373	0.5398592	0.18811075	0.64022946	0.63577527	-0.8221604	-0.9999396	-0.30995768	0.7302558	0.58613944	0.42272764	-0.777879	0.16938822	-0.13648602	0.14253736	-0.22507949	0.18861268	-0.20294355	-0.07650685	-0.24196334	0.03316133	0.95663047	-0.19805337	0.5825384	-0.27443334	-0.33088478	-0.8639722	-0.7227197	-0.4571126	-0.58119786	-0.045811288	-0.82538503	0.52454484	-0.30390552	0.61270875	0.35461745	-0.43800247	0.53078073	0.8916529	0.8814216	0.021369131	-0.98587036	0.39925057	-0.32236302	-0.38037115	-0.7884573	-0.4364559	0.6968039	-0.9997043	-0.7727266	0.3546306	-0.17008378	-0.8206565	-0.61289895	-0.5598534	-0.622668	0.48578992	-0.4779772	0.505021	0.46770024	-0.31883633	0.5336271	-0.83078724	0.5998179	0.11102987	0.9490889	0.3068908	-0.89618	0.9975174	0.7527132	0.6306322	0.036157493	0.87275815	0.1560838	-0.9230961	0.3661656	-0.99216485	-0.2891423	0.8597979	-0.34627995	0.23236598	0.3663962	0.3369878	-0.89299047	0.83273274	-0.81585026	-0.9557327	-0.8333226	-0.34029382	-0.77007324	0.58929694	0.567574	-0.35905322	-0.9962703	-0.995988	0.08146269	-0.1728022	0.09343738	-0.50650436	-0.65523577	0.6823716	-0.495846	-0.17691499	-0.99706465	0.46486363	-0.038039334	-0.10760167	0.6200145	-0.055680115	0.059042178	0.41746023	-0.3081637	0.8605259	-0.49098688	0.3743589	-0.9081798	0.14992593	0.5361986	0.6509733	0.8207885	0.51905936	-0.24285063	0.82082117	-0.16211884	-0.96034694	-0.9305729	-0.31825882	-0.6255005	0.17363119	-0.002670643	-0.23085849	0.08209928	0.9554191	-0.8698431	-0.80972534	-0.052419897	-0.090941876	-0.6918001	0.41254088	0.83372045	-0.90091646	-0.043946464	-0.8092479	0.18012124	0.23737657	0.49265236	-0.9634029	0.42524683	-0.2514485	0.85654145	-0.37329248	0.046246808	-0.619673	-0.40033808	0.9999494	-0.37618184	-0.40415362	0.47782317	0.68982494	0.007296511	-0.68521565	-0.9438419	-0.39015588	0.6485794	0.8747048	0.33502415	-0.15923375	0.287138	0.31629893	0.9299883	-0.079289526	0.38056746	1	0.4907367	-0.795792	0.001324263	-0.14644088	-0.8568082	-0.48779917	-0.7498213	-0.07013986	-0.28287274	-0.5451116	-0.43084046	0.73221034	0.6336188	0.62401134	-0.14598776	-0.4733882	0.38200167	0.49848446	0.5425512	-0.99944854	-0.5340612	-0.70229936	0.7509143	-0.24279258	0.7606013	-0.29443392	0.46373287	-0.39460132	-0.07614706	-0.24200183	-0.03969918	0.48226708	-0.6086252	-0.06970677	0.62142086	0.14490144	0.20441772	0.7013291	0.74352	0.8472078	0.9997469	-0.09395696	-0.9942714	-0.01818993	0.998358	-0.9761067	-0.6149876	-0.99896026	-0.5054252	0.11219114	0.26950052	0.17162001	-0.350462	-0.2975971	0.4034638	-0.92266655	-0.10980086	-0.5879512	-0.49907628	-0.4149619	-0.80725604	-0.21577334	-0.9999502	-0.9999999	-0.1370646	0.08339723	-0.0805936	-0.4616213	0.15097706	-0.71429867	-0.42167386	-0.36580372	-0.8145837	0.790312	-0.7288038	0.039530784	-0.14356425	0.38639084	0.43707788	0.65963566	-0.57811254	0.95230436	-0.9984839	0.53013855	0.85865337	0.31377038	-0.26068097	-0.16801432	-0.7285575	0.49752244	-0.28012717	0.59911054	0.5295629	-0.17959096	0.47434774	-0.9625346	-0.37987337	-0.6250475	-0.5272854	-0.7155561	-0.6824607	0.4909272	-0.6501243	0.032805406	-0.8654095	-0.7365474	-0.99990124	0.28934342	-0.35548854	-0.1390031	-0.42172018	0.5007487	-0.49397135	0.9142122	-0.68952054	0.3817693	0.49693453	0.9990385	-0.2704197	0.87193614	-0.28371525	0.5015713	0.37845483	0.9932073	0.8705585	-0.70749104	-0.3110282	-0.20627418	-0.7862068	0.8901429	-0.99870825	-0.15025057	0.40365228	0.9729361	0.8740486	-0.09002514
489	0	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.7576762	0.30991343	-0.947661	-0.41262397	0.5599401	-0.811312	-0.24682012	-0.14121649	0.23180245	-0.5246988	0.2017487	0.3905696	-0.35185072	0.8802626	0.22440985	-0.99511033	-0.5940602	0.57266	-0.058955546	-0.69052655	-0.60790575	-0.07165057	0.69326204	-0.66723955	0.76464844	0.6256982	0.45864186	0.39486477	0.9716429	-0.041135065	-0.5317561	0.84061426	0.26936856	0.12725246	0.25313228	0.8260309	0.057276875	0.4867089	0.9995483	0.48601872	-0.6107727	-0.2209929	0.21271786	-0.54137504	-0.15770073	-0.13512668	0.7391907	0.503706	0.9708266	-0.42592174	-0.17678186	0.4249757	-0.17240858	-0.53840417	-0.72892636	-0.4745891	-0.85841733	-0.95959896	-0.83622813	-0.2580342	0.28669018	0.01787794	0.40770888	-0.3127878	0.026004419	0.4895114	0.029309668	-0.5875585	-0.24004897	0.44026676	-0.70066714	-0.26155984	-0.34302354	0.8216295	0.6821635	-0.7612937	0.78552145	-0.5508211	-0.75526685	-0.9970345	0.15428254	0.61702996	-0.57721573	-0.18278132	0.5569325	-0.6934315	0.32756364	0.2334574	0.37788627	0.60796255	0.5488029	0.79180515	0.5112917	0.3578979	0.9857554	-0.4051086	0.45007595	-0.038775623	-0.32671532	0.6676286	-0.39877823	-0.35155073	-0.1841641	-0.48494765	-0.998527	0.573565	0.03240909	0.25807235	-0.7365389	-0.48713	-0.49428338	-0.27189356	-0.86541915	-0.80357313	0.48321554	0.8435489	0.13151982	0.8078824	0.98953116	-0.79282403	0.7835348	0.02490057	-0.1465292	-0.20554277	0.171342	0.43929023	-0.5720974	-0.057788953	0.19494092	0.9996807	-0.38276714	-0.43082255	0.8947527	-0.64967537	-0.34201896	-0.88823336	0.513011	0.53159523	-0.8811249	-0.70782334	0.9995339	-0.4255	0.9168926	-0.19256942	0.49332273	0.4121174	0.7787944	0.018593425	-0.9759979	-0.26649123	-0.4255074	-0.5316515	-0.1212458	-0.6232768	-0.80811167	-0.4028157	0.2708039	-0.685279	-0.9687052	-0.46791047	-0.24320376	-0.3174941	-0.6731375	-0.15579285	0.5036283	0.13592681	-0.7624138	0.5674478	-0.4044843	-0.27573803	-0.9080479	-0.91021025	-0.2955373	0.8488497	-0.3148933	-0.9534314	-0.8753169	0.61566836	0.3051469	0.6654038	-0.7631356	-0.5331415	-0.5704126	-0.95094794	0.8912894	-0.72231543	0.4558645	0.7009022	-0.51717496	-0.94459116	0.07854922	0.7331529	0.67350835	0.063466735	0.049324147	0.022098543	0.5374086	-0.49031523	-0.119549364	-0.5639661	-0.7898375	0.5556464	-0.38989377	-0.7247991	0.5911364	-0.17845926	0.58373475	0.7142767	-0.74781066	-0.9999042	-0.3522414	0.8219094	0.73909277	0.10627649	-0.9110387	0.44670436	-0.17937039	-0.10016013	-0.21124813	0.2959108	-0.25161973	-0.21442075	-0.20776401	-0.033420976	0.9645309	-0.28667432	0.55920553	-0.13897754	-0.10507152	-0.80831766	-0.62160724	-0.20513228	-0.11558673	0.06683374	-0.6537835	0.5436384	-0.40771404	0.4571686	0.013215779	-0.043805543	0.5308361	0.91452795	0.7826698	-0.06652525	-0.98226666	0.19858448	-0.20777918	-0.11284746	-0.8081151	-0.17216213	0.72175705	-0.99979526	-0.8586029	0.031922717	0.16408338	-0.6943476	-0.45282528	-0.28453082	-0.36986065	0.43052852	-0.28516048	0.4009346	0.13203575	-0.6249192	0.5690968	-0.76615673	0.52886444	0.23877633	0.9509556	0.43548438	-0.8899915	0.9835467	0.7397169	0.5650885	-0.42058262	0.89377755	0.11346171	-0.89684093	0.21482983	-0.9917494	-0.5178238	0.9849825	-0.08493018	0.2925751	0.36935338	0.42133236	-0.8349045	0.6603412	-0.67321527	-0.92720765	-0.64848983	0.7743515	-0.7823367	0.6464578	0.41222587	-0.52551144	-0.996639	-0.9955697	-0.0692666	-0.104831286	0.33620277	-0.6284346	-0.46653318	0.7157398	-0.56160575	-0.08113983	-0.97719395	0.22277363	-0.22252038	0.06251699	0.52019644	-0.37911618	-0.06236669	0.4898763	0.5496123	0.7561027	-0.5255192	0.18551362	-0.94618046	-0.34373775	0.1795117	0.7235782	0.83804554	0.5040714	-0.47278878	0.82054263	-0.010135144	-0.96979976	-0.90196866	-0.44301477	-0.73930526	0.19590199	-0.523723	-0.08077745	-0.030082578	0.9363998	-0.84220934	-0.5637631	-0.24762978	0.24490802	-0.6739751	0.4131192	0.8359683	-0.9035805	-0.12550214	-0.6982707	0.023641052	0.31174886	0.5517457	-0.8195004	-0.581741	-0.28452745	0.7819495	-0.10759174	0.2415405	-0.29600596	-0.4236317	0.9999266	-0.21975935	-0.4899608	0.386619	0.65821946	0.017904375	-0.43370342	-0.90356994	-0.16893825	0.74852496	0.9024027	0.43074962	-0.20227411	-0.2156586	0.07647964	0.8958524	0.20379218	0.40067345	1	0.43965083	-0.7238986	0.089843474	-0.5348419	-0.89508826	-0.15819985	-0.82835865	0.2845583	-0.25425193	-0.38476306	-0.4369233	0.8328842	0.6402655	0.6273597	0.000334004	-0.35582012	0.37529674	0.44685385	0.32859126	-0.99884665	-0.7297913	-0.5165882	0.8210629	-0.39381042	0.21891269	-0.320947	0.049019225	-0.18268462	-0.13732162	-0.3572196	-0.09352348	0.25101894	-0.5168876	-0.10998831	0.7465065	0.08172395	-0.094024226	0.63734555	0.6851038	0.78958005	0.9998815	0.2420373	-0.9923759	0.0970834	0.9988522	-0.9638622	-0.3674041	-0.9988109	-0.41108343	0.4306332	0.2640777	0.10355114	-0.34334737	-0.352838	0.4752954	-0.8992305	0.070463166	-0.49236137	-0.60511655	-0.4130891	-0.3004076	-0.025483882	-0.99997884	-0.9999999	-0.7398355	0.38158163	0.295335	-0.3329394	0.53338826	-0.734398	-0.593326	-0.42163098	-0.8234252	0.8246521	-0.72972566	0.13038577	0.16530614	0.30262735	0.28983492	0.39211252	-0.6791535	0.6904972	-0.9997819	0.613828	0.59007615	0.34074077	-0.14867565	0.067992456	-0.92221314	0.18376917	-0.33443826	0.22618125	0.4994036	-0.047169227	0.42261463	-0.95469946	-0.37071267	-0.06284644	-0.3226086	-0.8016898	-0.6256982	0.36761042	-0.552082	0.077833235	-0.7608753	-0.76767343	-0.9973421	0.17687428	-0.28790316	-0.16937667	-0.15364124	0.34457916	-0.20647609	0.896001	-0.7293605	0.21933965	0.47821024	0.99681073	-0.3509265	0.8412913	-0.21531323	0.34318903	0.41878545	0.9935374	0.8935783	-0.79004717	-0.32685256	-0.45833266	-0.7496645	0.8797473	-0.9976638	0.00546444	0.4122181	0.97299784	0.8542239	0.11059728
490	1	O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.8378938	0.46784186	-0.9603299	-0.2272493	0.5789127	-0.83601654	-0.24399824	0.026961144	0.2162433	-0.65507346	0.2126351	0.5076081	-0.46049598	0.9065585	0.22358932	-0.99865794	-0.6882753	0.66700506	-0.08553811	-0.76584417	-0.8363208	0.506404	0.80266184	-0.7062354	0.80580795	0.7159628	0.5126348	0.24086322	0.9820256	-0.034416426	-0.71458566	0.78949165	0.41877615	0.2124616	0.24559411	0.9096077	-0.071811676	0.57124096	0.99988127	0.7448179	0.3029692	-0.3461414	0.324277	-0.6728136	-0.26942208	0.96586794	0.7931362	0.5024259	0.9860207	-0.5632538	-0.27395093	0.32832292	-0.15502302	-0.61344695	-0.5363773	-0.548106	-0.8550636	-0.9986405	-0.9059033	-0.27539766	0.20995991	0.03968977	0.5067371	-0.38606286	0.08356723	0.56401974	0.01920529	-0.6739391	-0.27152133	0.5038168	-0.86289144	0.8228968	-0.36460796	0.83947635	0.7862076	-0.82918805	0.81301457	-0.6510219	-0.77160674	-0.9941536	0.31418234	0.64989364	-0.7968966	-0.19417666	0.64589286	-0.9329905	0.29129472	0.28346187	0.4487062	0.68071014	0.6078347	0.7656439	0.57502383	0.3664941	0.9830439	-0.49356917	0.6694798	-0.031208487	-0.45494908	0.69342035	-0.39406174	-0.32985508	-0.036689397	-0.45412377	-0.9999517	0.7575246	-0.12279933	0.28861323	-0.74824584	-0.47675297	-0.5370011	-0.31600916	-0.8868989	-0.7799733	0.6392811	0.894528	0.25800362	0.8952117	0.3362849	-0.8148923	0.8322739	0.016583258	-0.22599614	-0.11985739	0.35710883	0.43397275	-0.60149306	-0.10612849	0.2320121	0.9998974	-0.4264034	-0.5403636	0.9241682	-0.67567664	-0.3136769	-0.87908745	0.460217	0.6233318	-0.90516925	-0.77368337	0.9993295	-0.36905834	0.69255894	-0.24032469	0.41883135	0.33183187	0.83322996	0.007582454	-0.999836	-0.13880822	-0.47051784	-0.4350678	0.10337875	-0.7134797	-0.8306229	-0.5426498	0.24046361	-0.9984897	-0.9873955	-0.28181648	0.93612546	-0.4750152	-0.6991784	-0.08784417	0.68330896	0.19005671	-0.7777671	0.59656066	-0.38840932	-0.24567589	-0.9130442	-0.9329001	-0.47153458	0.9045562	-0.54799694	-0.93195415	-0.9109329	0.70948327	0.39554834	0.72557604	-0.8362918	-0.1608769	-0.6357713	-0.96824133	0.984864	-0.8400254	0.35151592	0.76010674	-0.67813855	-0.97223115	-0.21491046	0.81998736	0.75534654	-0.021724047	0.005931255	0.22951955	0.45798707	-0.7048103	-0.13084422	-0.67124695	-0.8459218	0.5510055	-0.45528346	-0.7956828	0.648323	-0.19556113	0.568489	0.71242577	-0.7631533	-0.99985284	-0.52234215	0.8502365	0.77307415	0.36583093	-0.93277013	0.46146092	-0.2761574	-0.2833156	-0.26608086	0.4199253	-0.15785015	-0.14153671	-0.33104274	-0.09769987	0.9530491	-0.24625094	0.62198937	-0.11018762	-0.042471703	-0.8854236	-0.62096345	-0.21063098	-0.035841525	0.22440293	-0.71151227	0.6483836	-0.43742606	0.4850573	0.051141754	-0.19143093	0.48080757	0.93872756	0.85168356	0.03623526	-0.99060273	0.12726095	-0.31451893	-0.10438585	-0.8684886	-0.09500417	0.77830815	-0.99956465	-0.8702684	0.040908854	0.20771982	-0.77264756	-0.498448	-0.42176038	-0.48638415	0.42342567	-0.4671818	0.4576958	0.065823466	-0.6590716	0.606791	-0.8248985	0.5466333	-0.033589303	0.9608901	0.6189859	-0.8946898	0.9961595	0.7849003	0.6073414	-0.45603895	0.8998866	0.0924748	-0.9292358	0.22354768	-0.9970247	-0.57118803	0.20153491	0.08066291	0.16371104	0.27709538	0.59733146	-0.9028335	0.9180857	-0.83778596	-0.95251054	-0.76546913	-0.9411101	-0.81613785	0.5358898	0.4946765	-0.54650277	-0.9937941	-0.9985797	0.026772281	-0.24307975	0.36134583	-0.7317668	-0.57863206	0.6943091	-0.5973344	-0.19069274	-0.9996742	0.4038304	0.16830286	-0.009561946	0.55966955	-0.4419676	0.084325284	0.69634086	0.72726655	0.8514295	-0.6187515	0.27116156	-0.92094773	-0.31002828	0.23123795	0.79529935	0.8861081	0.44763812	-0.50565326	0.8743152	-0.037237093	-0.9757647	-0.9317253	-0.5500054	-0.81868833	0.23608688	-0.40145332	-0.17945576	-0.04373468	0.9918262	-0.9037107	-0.6957983	-0.14565578	0.33605018	-0.8118289	0.5303678	0.8912067	-0.96199155	-0.069735646	-0.759115	-0.05372671	0.4752764	0.70504016	-0.9899478	0.86845577	-0.3344111	0.76205266	-0.30532974	0.2963983	-0.32979485	-0.4587647	0.9998715	-0.41888562	-0.7632428	0.34666052	0.6593804	0.013927141	-0.5301559	-0.9743391	-0.07290136	0.77584547	0.9261944	0.42518833	-0.25030637	-0.2981555	0.21544145	0.9177342	-0.4839204	0.34202912	1	0.5904036	-0.7608052	-0.07796041	-0.52332693	-0.78483397	-0.18561472	-0.83890545	0.41662833	-0.27980036	-0.46983024	-0.5764047	0.8282746	0.72183764	0.650585	-0.16077687	-0.4142209	0.5089559	0.41873702	0.4522835	-0.9995056	-0.83603704	-0.77341056	0.7565458	-0.63526356	0.7105942	-0.39409906	-0.003901933	-0.3020413	-0.1352139	-0.53088367	0.053666648	0.26927194	-0.54671806	-0.22722895	0.7687462	0.11303352	-0.11541524	0.6875173	0.74953365	0.84392464	0.99976385	0.41242206	-0.99444276	0.21178322	0.9968745	-0.9852609	-0.37788847	-0.9991685	-0.35400623	0.012674192	0.036992792	0.25595027	-0.28241375	-0.4502076	0.48634806	-0.9837861	0.13165404	-0.3988882	-0.71406424	-0.3461825	-0.39819795	0.14009783	-0.9995076	-0.9999994	0.673922	0.32425225	0.40613392	-0.41723	0.5591044	-0.80664814	-0.19091386	-0.31021237	-0.8388589	0.8619932	-0.7019431	0.26306364	0.22525287	0.34700868	0.32023045	0.54752135	-0.7615961	0.9932407	-0.98769355	0.7423355	0.6787706	0.4468088	-0.08670447	0.14710063	-0.90111935	0.22767949	-0.41313228	0.20844091	0.5288546	-0.07061068	0.43480897	-0.94385463	-0.33137324	-0.5457737	-0.35484776	-0.7737962	-0.63854617	0.50186884	-0.59825706	0.097063124	-0.8612077	-0.8745246	-0.999791	0.23051278	-0.43185988	0.03447525	-0.16317916	0.39952052	-0.23940463	0.9243363	-0.82223874	0.24843736	0.43615553	0.99963975	-0.3868728	0.86139804	-0.111773156	0.38935837	0.42747587	0.9793993	0.9244037	-0.81494045	-0.12373794	-0.40484262	-0.7812639	0.90805703	-0.9990987	-0.06281091	0.6061371	0.98966473	0.9048922	0.07376812
491	0	CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1	0.5865781	-0.8157587	0.014658803	0.21435589	-0.6285203	-0.76235616	0.22635867	0.5687232	0.5295155	-0.834194	-0.5383622	-0.39645576	-0.13038275	-0.20562485	0.2000001	-0.6558684	0.010694632	-0.3107567	0.55692667	0.21281525	0.6987925	0.32381153	0.42800993	-0.4614094	-0.08502814	-0.30629188	0.3289704	-0.6980363	0.48535663	0.7677996	0.5192799	-0.083797425	-0.034481525	-0.56525224	0.7733504	0.035134967	-0.107851245	0.43562302	0.999468	-0.8152042	-0.52666134	-0.3926372	0.2228487	0.3334896	-0.29102722	0.46173587	-0.40006748	-0.3475722	0.9992276	-0.5814696	0.50500464	0.37359095	0.17449516	0.8475704	-0.5399045	-0.29791754	-0.35477957	-0.6587116	0.089420624	0.46447906	0.4876441	-0.042953372	0.19168301	0.2997603	-0.32051224	0.15104929	0.7933478	0.13760825	-0.78406924	-0.53277653	0.3828211	0.65349567	-0.5368605	0.13628615	0.8158187	-0.7167762	0.46737936	-0.35079664	-0.83704364	-0.9997737	-0.16605534	-0.6423765	-0.77452135	-0.3949478	0.42272797	-0.9780739	-0.43673506	0.087445	-0.21276467	-0.049568236	0.1781796	0.70599264	0.7026099	0.47182095	0.96431005	0.0918612	0.8691936	0.038752425	0.7484745	-0.38197893	0.43346363	-0.5942407	-0.29088098	0.98797435	-0.9987004	0.10148268	0.6034462	0.21598846	0.96424913	-0.30197886	0.08060097	0.14904457	0.47367924	-0.1900424	-0.296451	0.35904413	-0.8810887	0.21429512	0.9236399	-0.42113024	-0.05723201	0.22288373	0.061458033	0.58763707	-0.72297233	-0.505781	0.51937777	-0.287208	-0.17600556	0.99998796	0.44479367	-0.15433052	0.65278405	0.006603517	-0.004455136	-0.9905757	0.001988011	-0.104861096	-0.030343331	-0.5369996	-0.99999905	0.4750858	0.8823149	-0.08366262	-0.14783165	0.1212986	0.096425734	-0.11308242	-0.99272585	0.02553356	0.55442303	-0.46568134	0.884597	0.31589133	-0.26015127	-0.69148666	0.26094374	-0.6233067	-0.90845305	-0.9532004	-0.12331203	0.11970874	0.3445782	0.57393485	0.731949	-0.4302815	-0.29192978	0.58418	-0.25800133	0.19476405	0.67837685	-0.36030862	0.15063547	-0.7501871	0.03982849	-0.9289104	-0.5682495	0.3244971	0.41212755	-0.19795509	0.14601728	-0.22229935	-0.41633177	0.56752264	0.47751293	-0.42677853	0.69541436	0.7409264	-0.46304783	-0.31841823	-0.7966798	0.14291789	0.67065597	0.17001891	0.16870724	0.02585134	0.24491683	-0.6939533	0.5391102	0.10054749	0.38591036	-0.40625826	0.15799442	-0.32584864	-0.22024049	0.27788845	-0.724215	-0.7082732	0.8761513	-0.9999498	-0.8035157	0.50544393	-0.66824836	-0.7771972	0.044924743	0.3892189	-0.2592982	0.21958935	0.23421116	-0.2576111	0.63244265	-0.06869536	-0.60272443	-0.7077735	-0.97936237	0.74598145	0.20721279	0.40825948	0.7577056	0.7446871	0.45617846	0.33735144	-0.23040637	0.57150066	0.47096786	-0.36940166	0.2539878	0.52930415	0.06964719	-0.44677243	0.9237859	0.79975	-0.09476064	-0.7273194	0.28273126	-0.6493568	0.7497244	-0.39963958	-0.35929766	-0.7964387	0.31605834	-0.63341427	0.28673264	-0.09523716	0.39356288	-0.20231842	-0.51393175	0.10191367	0.3834203	0.081447296	-0.45180473	0.4819902	0.2038705	-0.42167035	-0.27061525	0.51357424	0.00479404	-0.25376427	0.9827831	0.17738584	-0.10740967	0.99954534	0.21385905	-0.18575826	0.39413995	0.6931358	0.26129302	-0.8115765	-0.22862767	-0.54305595	0.2144684	0.9897962	0.40011257	0.38445807	0.6588676	-0.036753815	0.028801126	0.96896064	0.67595756	-0.1365035	-0.5366951	0.6218063	0.38018504	-0.5869188	-0.46341756	-0.16742739	1	-0.99848604	-0.055645216	0.7343107	-0.12588319	-0.3133174	-0.25719017	-0.19651937	-0.29584455	-0.6776058	-0.9902144	0.59626186	0.83282024	0.1838714	0.34602097	-0.7539253	-0.4417235	-0.46216038	0.8474785	-0.5971145	-0.2202648	-0.07803546	-0.9999098	0.481026	-0.31267452	0.5102884	-0.08729548	-0.8212543	-0.25600898	-0.47992373	0.052477464	-0.9445737	0.4030742	0.812826	-0.5610587	-0.01599448	-0.68106776	0.47409797	0.13401614	0.9703721	0.29228953	-0.49536824	-0.5240791	-0.10308038	-0.30704927	-0.49492025	-0.22670572	0.5234748	0.08469744	0.14099255	-0.6880296	-0.601117	-0.15369259	-0.960809	-0.81354034	0.41970092	0.20656967	0.41884723	0.04912613	0.098001115	0.6914205	0.9998888	0.10711374	-0.34414285	-0.2599249	-0.2789542	0.1533386	-0.10607966	-0.9770999	0.46106797	0.19534308	-0.21092722	-0.3746875	-0.08907108	0.3286643	0.17857097	-0.30727625	0.015386757	0.384789	-0.9986853	-0.40405253	-0.36138725	-0.33459842	-0.6793226	-0.5450938	-0.699325	-0.21183565	-0.16782519	-0.48628265	-0.68981934	-0.43613806	0.62652045	-0.27313253	-0.5588947	0.38297182	0.47016287	-0.53248686	0.34599906	0.40337253	-0.18890218	-0.45506528	-0.2606318	-0.70003384	-0.80896986	0.11579061	0.70278394	0.5989339	0.1224478	-0.2627973	0.43934444	-0.2354976	-0.30630633	0.5010178	-0.73389155	-0.14118598	-0.6244388	-0.56952125	-0.1792107	0.009051828	-0.20198177	0.99999964	0.5859369	-0.93719673	0.114624344	0.99833167	-0.31955785	-0.5090274	-0.99990857	0.00212621	-0.87051183	-0.4363213	0.6124909	-0.019404877	-0.4139231	-0.03688038	-0.93903625	-0.18783721	0.3854247	0.60898036	-0.26414046	0.8492016	-0.25648156	-0.9999554	1.0000001	0.49258682	0.15029256	0.69807553	-0.100766376	-0.05534779	-0.1324445	-0.07754324	-0.534048	-0.66501355	-0.062109813	-0.87584317	0.016285256	-0.64628905	0.5159213	0.47865707	-0.073113546	-0.2539817	0.8916432	-0.9990989	-0.01599231	0.32784396	-0.5117979	0.25460643	-0.007190029	-0.97464395	-0.1598916	0.29678112	0.0893202	-0.5378451	-0.07487911	0.8689858	0.87097263	0.22261807	0.5025582	0.2805871	0.26187232	-0.14323704	-0.3120896	0.20579404	-0.3187133	-0.5111598	-0.82057106	-0.9916055	0.31353912	0.59956497	0.19337356	0.20281495	0.33013818	-0.8338963	-0.073947616	0.7290004	-0.77857417	-0.48965558	0.9990759	-0.11386143	-0.58608264	-0.27957764	-0.13438164	0.18618342	0.9999116	-0.1534745	-0.66415095	0.06638369	-0.6547503	-0.044941135	-0.05803379	-0.99775493	0.07492138	0.6152691	-0.18439609	0.28851882	-0.26034066
492	0	CCn1nc(C)c2c1C(=O)NCC(c1ccc(O)cc1)=N2	-0.3396973	-0.033047352	0.49448064	-0.29870963	0.354254	-0.35246608	0.41776338	0.1151375	0.21777636	-0.3259662	-0.055601034	-0.70692194	0.39303473	-0.35256353	0.47338438	0.23881808	-0.39406654	-0.62117624	0.18008664	-0.054259755	0.030489199	-0.34153622	-0.21597718	0.4506564	0.033615783	0.41158998	0.8878328	-0.4464573	-0.5147213	-0.041930307	0.110681795	-0.6309758	0.15540187	0.06452983	-0.10220668	-0.102632776	-0.6488062	-0.5378502	0.996112	-0.53423095	-0.9641462	0.13057268	-0.19429706	0.226793	0.5877635	-0.7775454	0.65034115	-0.4454298	0.44501397	0.40436894	-0.32487577	-0.06148073	-0.33670148	0.5772062	-0.17952667	0.2122498	-0.18528129	0.016425032	-0.029378222	-0.059400897	-0.18968248	-0.053039074	-0.009559287	-0.21720201	-0.4559421	-0.096560545	-0.030427983	0.0799825	-0.2418292	-0.39867368	-0.96444714	-0.99592096	0.63461655	-0.33016047	0.45221683	0.08661265	-0.5112824	-0.38322255	-0.05002536	-0.9995189	-0.74985135	0.5853216	-0.95599055	0.2031482	0.28019616	-0.35895914	0.45418257	-0.5756648	-0.15104473	-0.69835556	0.016217291	-0.3292524	-0.5767539	-0.030938404	0.9989047	-0.22223046	-0.68722224	-0.26193172	-0.09558722	0.34493828	0.4453457	-0.37141225	0.012164462	0.87034005	-0.9731466	-0.90470845	-0.25615874	0.19716012	-0.9995632	-0.44477466	-0.14908235	-0.18752679	-0.033247214	0.07588807	0.45233056	-0.42489228	-0.2507052	0.4620432	0.99508595	0.17428927	-0.2665912	0.089143164	0.47694585	0.40107682	-0.24693114	-0.3907676	0.028370652	0.3279072	-0.3149149	0.9912421	-0.24691206	-0.3757833	-0.69101894	0.24711832	-0.378175	-0.93039757	0.21011423	0.060307324	-0.6774443	-0.07196399	-0.99999666	0.58358943	0.53099257	0.33090097	-0.29404154	-0.29864615	-0.2020494	-0.28077826	-0.7214186	0.35767096	0.5193503	0.10554188	-0.3448106	0.23934682	-0.11214061	0.12619305	-0.17473981	0.65669847	-0.20798197	0.3923031	-0.91803825	-0.29003325	0.06364992	0.11726386	0.5189518	-0.5829561	-0.14743245	-0.5478042	0.4889356	-0.48027092	-0.7605243	-0.41496056	0.42891926	0.122553006	-0.2984248	-0.21036707	-0.58990675	0.44475847	-0.568909	-0.33891106	0.7151043	-0.8920916	0.63649553	0.08281749	0.031608503	-0.01530284	0.12431982	-0.18332446	0.1581319	-0.44507167	0.5695404	0.33022708	0.036664624	0.03039649	-0.6314235	-0.36746627	-0.56004214	-0.2707274	-0.11439937	0.65266633	-0.37102833	0.4543271	0.67852056	-0.1988925	0.64695406	0.4239081	0.24485353	-0.014936277	-0.20856589	-0.999846	-0.57169294	0.29219463	0.03798087	0.5596813	-0.019606255	0.39878148	0.5680546	0.52934855	-0.331089	-0.47800222	-0.08042285	-0.13567872	0.6814642	-0.4989263	0.9809209	-0.28218365	-0.23383042	0.57530636	0.049020454	0.42608535	-0.39689827	0.29353097	0.6917047	0.8264649	0.1843393	-0.5162932	-0.049968082	-0.40633726	-0.2802348	0.7587574	0.6399184	-0.080240265	0.09258389	-0.4803874	-0.052012507	-0.05517282	0.20750187	0.08056342	-0.7388296	0.038206313	-0.10002629	-0.77085936	-0.57183737	-0.5173989	0.38114378	-0.2073494	-0.38107213	-0.0690459	0.20530716	0.2174519	0.11749117	0.15970828	0.20515133	-0.05815022	-0.3306906	0.34987542	0.49000844	0.74376583	0.35229424	0.1353115	-0.07165709	0.97691363	-0.4379637	-0.47020924	-0.28150845	-0.6742169	0.44109857	0.17866027	0.50124705	0.17279941	0.78908294	0.9990652	0.19279185	-0.19286962	0.49609768	-0.59160894	-0.50646406	-0.75721186	-0.9477071	-0.19120675	0.4653708	0.97913885	0.57563287	0.3854404	0.3212542	0.6332869	0.9999995	-0.69638485	-0.1870949	-0.48385704	-0.045919087	-0.67153704	-0.21291076	0.06726652	0.86692184	0.55645937	-0.8289145	0.3372725	0.015182527	-0.043430366	0.5028681	-0.33316243	-0.14260307	-0.029258817	0.15089439	-0.38886237	-0.100780964	0.51734495	0.83597654	-0.15700305	0.5141876	-0.2573447	-0.024982898	-0.51760435	0.1406855	-0.025199475	-0.7575054	-0.47467592	-0.45016196	0.06074456	0.12992948	-0.34732524	-0.15433766	-0.7267509	-0.74197406	-0.67835027	0.10886139	0.35481435	-0.38730663	0.096771926	0.38437432	0.36253467	0.30756754	0.14289321	-0.47227547	-0.31859568	0.5356469	-0.3344558	0.6448313	-0.41345748	-0.96862763	0.28217193	0.43241683	0.2397222	-0.005103394	0.45785907	-0.37538502	0.99983746	-0.28498602	-0.15226953	0.34177208	-0.189741	-0.53295726	-0.32595173	-0.26347768	-0.8527455	-0.5223054	0.5904571	0.019119263	0.23122507	0.45002174	0.58299196	0.5496373	-0.41445896	0.6373653	-0.99767494	0.5605056	0.18940605	0.38453618	-0.21087976	-0.5858421	-0.5731469	-0.13545232	0.31804273	-0.1823306	-0.000501458	0.41551986	0.36270124	0.36889088	-0.051481552	0.10769608	0.22886059	0.36016726	-0.36633125	0.3303007	0.011375479	-0.059420157	-0.2684133	0.7167467	-0.065762684	0.8858992	0.59340835	0.0887884	0.12014284	0.56235623	0.1743705	-0.11360487	-0.15607445	-0.40874887	-0.77035815	-0.30736592	-0.18896148	-0.7303139	0.036317922	-0.34686872	-0.06733413	0.96690726	0.36701557	-0.92285806	0.58960605	0.9998769	0.608711	-0.1880538	-0.969444	-0.64086413	0.05403822	0.2616261	0.5262788	-0.5162738	-0.048966844	0.10271778	0.6675369	0.41826907	-0.78215307	-0.08681952	0.4035897	0.27305183	0.704131	-0.99999	0.9999999	-0.53486806	0.68524885	-0.1670873	0.23089406	0.222804	0.13037162	-0.8148526	-0.3338092	-0.5723552	0.35957536	-0.51564187	0.22719216	-0.17263694	0.47910577	0.43455747	-0.07443264	-0.0786012	-0.13073717	-0.9999395	0.077972285	0.18005614	-0.19529854	0.76065016	-0.49485734	-0.3067716	0.32784092	0.45672423	-0.22327316	-0.3224317	0.61351717	-0.3956758	0.9137476	0.3804838	0.81534123	0.6196467	0.073454246	-0.27937216	-0.4066894	0.033907544	0.42245805	-0.3784035	0.28789875	-0.24242449	0.029225392	-0.7131399	-0.1166146	0.20072643	-0.5633523	-0.04653903	-0.18807176	0.36796534	-0.53366995	-0.14361703	0.98583287	0.6228733	-0.72150046	-0.09246974	-0.36502054	0.38382846	0.99994785	-0.044113286	0.3258263	0.29361925	0.5281374	0.41942266	-0.32346997	-0.9959842	-0.21273872	-0.080268316	0.22982676	-0.12893474	-0.55342
493	1	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)[O-])c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1	-0.5645749	-0.5806802	-0.50826335	-0.020964755	0.24409133	0.21182418	0.8414476	0.001726285	-0.3773045	0.58172965	-0.288687	-0.3171401	-0.6948809	-0.75229436	0.26737544	0.38207576	0.25768155	0.38820988	0.14223412	0.20792401	0.1896418	0.580782	0.45257238	0.17871943	0.26497552	0.54686964	-0.15655187	0.6274399	-0.5519971	-0.25183228	-0.3186113	-0.7708924	0.39298534	0.26171976	-0.44855303	-0.5342531	-0.11183239	0.6940537	0.9998095	-0.0243509	-0.20108087	-0.3867611	-0.06309853	-0.5326277	0.34186706	0.99897313	0.018928325	0.6897253	0.69280946	-0.19109935	-0.06173425	0.33826327	0.13771991	-0.56194824	0.633736	-0.16725361	-0.298666	-0.9981694	0.44640264	-0.5398112	0.195929	-0.5067659	0.2725896	0.056765914	-0.04166928	0.55637217	-0.44543937	0.16494563	-0.363463	0.2816718	-0.9863723	-0.009443613	0.32107222	-0.8679157	0.44840944	-0.278882	-0.5593826	0.28989726	0.05520341	-0.9988155	0.7423202	-0.3539122	-0.9891218	-0.106418796	-0.27905214	-0.978193	0.14058153	-0.7588496	-0.13701397	-0.08725113	-0.14423802	-0.43010572	-0.39104456	-0.33010104	0.9992729	-0.08150392	0.030974094	-0.8655778	-0.06463715	-0.2337358	-0.28778452	0.26685786	0.30519718	0.97564477	-0.99996316	-0.7312516	-0.5833183	-0.014287823	0.9773782	-0.019593399	-0.46753976	0.6423423	-0.35798994	-0.009380821	-0.09997725	-0.10280303	-0.527184	0.14132074	-0.9910241	0.58495814	-0.6594782	0.8176609	-0.11647574	0.67251974	-0.022261716	0.07838237	-0.07206871	0.1155019	-0.53873813	0.999565	-0.73674065	0.7588001	0.29451534	-0.49660322	-0.3025857	-0.9869244	0.120955005	-0.594992	0.24657878	-0.7628577	-1	-0.26712406	-0.94067	-0.08778945	0.07841617	0.42970312	0.029396517	0.19026846	-0.9999919	-0.041943043	-0.40859956	0.44242793	0.078901306	-0.20079248	-0.37659842	0.6777225	-0.31192935	-0.99995893	-0.73799413	-0.9761622	0.9943017	0.49275154	-0.21373798	0.5665344	0.30111897	-0.5094999	-0.6539485	-0.025168136	-0.44386074	0.097140096	0.11076256	0.3370605	0.6022368	-0.48098084	0.09218966	-0.4306551	0.081502415	-0.48101065	-0.3926775	-0.3218197	0.09593505	-0.9611326	0.4676392	-0.1693385	0.937227	-0.4896198	-0.5646816	-0.13261594	0.55123967	0.51660734	-0.66738385	0.5089931	-0.12829986	-0.5100858	-0.73786867	0.3999878	-0.44628522	-0.79276323	0.24184538	-0.020963885	-0.7340632	-0.1497156	0.37892082	-0.031721406	0.31448066	-0.212443	-0.5706305	-0.616935	-0.34527543	-0.9996841	-0.3864936	-0.8139004	0.08607216	0.5221689	0.5254396	0.19993311	0.14871903	-0.42395565	0.50569856	-0.6389335	0.078496076	0.45105922	-0.4492454	-0.2735288	-0.95496833	-0.5392747	-0.6160328	-0.28247663	-0.083532475	-0.6965454	-0.23921861	0.62218684	0.6994506	-0.2463928	0.34455833	-0.6471283	-0.23264417	0.25951618	-0.059126236	0.08867896	0.03305549	-0.47244447	0.32541952	-0.52728724	0.8020405	-0.6994614	-0.36969104	0.14593126	0.31622568	0.13135858	0.29791892	0.8576111	-0.5610772	-0.71904	0.1477242	0.35521975	0.23694411	0.7204274	0.14251938	-0.28358254	0.1814062	0.55954254	0.6614619	0.2815069	-0.5416714	0.7115519	0.3890257	0.27864054	0.98981947	0.5252017	0.7127394	0.9969874	0.13857076	-0.20118347	-0.6300477	-0.41887408	0.12100369	-0.22867338	-0.70772797	0.24240261	-0.26077327	-0.95647895	-0.11768129	-0.57503057	0.30406862	0.29178944	0.01372002	0.97222257	0.8960006	-0.08161593	0.15381312	-0.99971473	-0.6881897	-0.19455986	0.64351165	0.26595396	1	-0.9628804	-0.73242855	-0.7089491	-0.15938163	0.55290353	-0.67943555	-0.20723523	0.5038274	0.22460335	-0.9999892	0.21023902	0.9762909	-0.25475025	0.24560094	-0.0889411	0.59536856	-0.08359525	-0.23350945	0.28988308	-0.252883	-0.18462172	-0.9999496	-0.5199632	0.412064	-0.3036014	0.06841819	-0.80142474	0.51665235	-0.20329326	0.17105117	-0.6754194	-0.5539006	0.6772414	0.09649126	0.44656858	-0.10441676	-0.25415808	0.07938489	0.7097807	-0.7879705	0.375335	-0.38745558	-0.022034317	0.58489597	0.75764894	0.77037895	-0.7155632	0.30119053	-0.16508743	-0.25198904	0.8004866	0.16424163	-0.99897134	0.9924696	0.3377981	-0.6596462	-0.061070774	0.02250269	-0.5599642	-0.44478804	0.9985348	-0.49113932	-0.6200568	-0.19777675	-0.0704221	0.39337063	0.09046301	-0.8898744	0.41737926	-0.15989025	-0.4894936	0.5320493	0.35250938	-0.34887123	-0.4445217	0.25410965	-0.8918314	-0.109882236	-1	0.15594634	0.42593628	0.021104254	0.2721502	0.92749137	-0.08468878	0.073090285	-0.34894374	-0.3695907	0.8574674	0.014958666	-0.6359215	0.013837949	-0.8202638	0.186542	-0.73371845	-0.27831766	0.001821607	-0.21123613	0.7996121	-0.16066857	-0.6437822	-0.62932	0.016345976	0.99614024	0.61663264	-0.36545172	-0.36837012	0.49626648	-0.47642735	-0.5349419	0.5851866	-0.33276635	-0.5615811	0.16509578	-0.24788366	0.032146513	0.17245042	-0.17371774	0.42746934	0.9999995	-0.18735023	-0.9462533	0.46560308	0.9987052	-0.65829176	-0.19647199	-0.99993324	-0.21260288	-0.9826604	0.124948196	0.31029916	-0.1649694	0.47226748	0.8619616	-0.634126	-0.4438831	0.32173905	-0.32512978	-0.21878773	0.2963812	0.3952899	-0.6379092	1	0.9984907	0.33048123	-0.525119	-0.8664492	0.027182274	-0.12961085	-0.48019728	-0.07840681	-0.6103078	-0.27112067	-0.27503055	0.658067	0.5143559	-0.43260002	0.5068019	0.19477957	-0.35644972	0.9998098	0.5441744	0.69420564	0.37873924	0.14176616	0.21855243	-0.28754056	0.30218035	0.6422176	0.499343	-0.49630523	0.041280173	0.16568857	-0.66196233	0.98987055	0.5225802	0.7005899	-0.50624794	0.5562414	-0.51515144	0.59865385	0.33777288	0.1789682	0.024719033	-0.2573463	-0.15202205	0.37070808	-0.25726572	-0.1353048	0.53983885	0.1495497	-0.17531921	0.24220721	0.621015	-0.6151886	0.19337516	0.9998611	0.15220444	-0.8265863	0.550016	-0.20201269	0.47391993	0.99915135	0.50428325	0.23289254	0.02108937	-0.5893888	-0.14458136	0.13599445	-0.9963147	-0.79077107	-0.20303369	0.15196219	0.40061134	-0.027160795
494	0	CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1Cl	-0.42557046	-0.27881533	-0.16160442	-0.39837047	-0.46606645	-0.520147	-0.30352247	-0.11342877	0.5306022	-0.13195446	0.1339934	0.016457247	-0.5187958	0.06662763	0.10685647	0.36948636	0.44383842	-0.5883108	0.08593177	-0.8173577	0.7623915	0.5677429	-0.6079938	-0.3493045	-0.3248909	0.30636767	0.15164939	-0.36883232	-0.3663723	-0.41635892	0.6085693	-0.48080522	0.3809695	0.15002674	0.093142554	0.35740516	-0.47482383	-0.07979649	0.99936163	-0.22591546	0.06693395	0.08642175	-0.2950655	0.42538372	-0.5014994	0.46535173	0.51100016	0.3717423	0.694937	-0.07307325	-0.31596506	0.24739787	-0.3100111	0.43716264	-0.30564648	0.6285608	-0.26255465	-0.8184042	0.20562899	0.22929116	0.10509831	-0.037192587	-0.32260138	0.4479584	0.15550105	-0.24202344	0.46389648	0.56044203	0.46010888	0.6874208	-0.8702572	-0.9040622	0.68671924	-0.16945326	-0.23040491	-0.39612696	-0.13225968	-0.5527186	0.55234194	-0.9999659	0.029394692	-0.6642555	-0.6358552	-0.54575545	-0.77569085	-0.8750621	0.07721251	-0.18905656	-0.78828734	-0.22846761	0.27986866	0.56481224	0.6939708	0.1202899	0.9989827	0.18098769	0.56107414	-0.055844802	0.32637912	-0.537896	0.5986882	-0.25836998	-0.42433184	0.98433185	-0.9987721	-0.8287085	-0.33351326	0.19043204	-0.9525484	0.4985743	-0.486779	0.61032057	-0.5028769	0.15892893	-0.6072259	-0.402778	-0.25872192	0.06914882	0.9310714	-0.21708694	-0.031743664	0.727355	-0.5976763	0.7005923	-0.580514	-0.61320895	-0.14919387	0.29829055	0.008998404	0.9998073	0.8761883	0.8257016	-0.29541737	0.014317897	0.25826025	-0.99417067	0.32020408	0.41938215	-0.3824464	-0.3780789	-0.9999982	0.17320023	-0.08649655	0.33932266	-0.49030033	-0.12908882	0.35716686	0.059281625	-0.98870933	0.5947547	-0.5424368	-0.16999282	-0.1437356	0.29229268	0.72460574	0.4432518	-0.5073553	-0.7987346	-0.8087787	0.52360064	-0.43345192	-0.25616395	-0.63780636	-0.46116614	-0.6259146	0.6896179	-0.26146722	0.15579197	0.07064834	-0.6723256	0.015459012	0.57513934	-0.105713986	0.14040895	0.6126888	-0.8029506	0.7974114	-0.1303335	0.3637929	-0.018027076	-0.1806446	-0.9959186	-0.17124733	-0.35406682	0.6589501	0.5712471	0.7017012	0.3680488	-0.43974346	0.44479457	-0.14546263	-0.8629779	-0.064047866	0.518924	0.057225797	0.14737988	0.11262595	-0.5395309	0.48772493	0.7530719	0.46648675	-0.72573686	-0.6551276	-0.5440453	-0.2951056	0.42640546	0.37875128	0.38952228	0.08166249	-0.9999001	0.5186076	0.27570358	0.12570265	-0.64644194	-0.022107787	-0.31267232	-0.52974325	0.4487048	-0.10536567	-0.2985877	0.5076488	0.23003456	-0.19251767	-0.3445823	-0.8994145	0.32086188	-0.5908229	0.067085095	-0.3690513	0.31248575	-0.36660695	-0.22410342	0.3437712	-0.3857365	-0.19926485	-0.8788862	0.19106579	-0.20343922	0.43605253	-0.69780576	0.910585	0.21796475	0.5947394	0.31252658	0.13706525	0.39175707	-0.4718735	-0.010255684	0.1972469	0.23562428	0.6821782	-0.76650244	0.8034941	0.5433337	-0.31760022	-0.6317051	-0.42135042	-0.60569507	0.13669293	-0.19846009	-0.29799277	0.4803368	0.60163456	-0.48249438	-0.31561983	-0.18363595	0.001557403	-0.12651293	0.88259447	0.64850867	-0.5569849	0.9952659	-0.09062316	0.51199377	0.3729108	0.06936415	0.77664554	-0.5502092	0.33053815	0.53324753	0.6312691	0.98000115	-0.3078984	0.36134794	-0.004540952	0.007504255	0.47537795	0.7197486	-0.77938336	-0.4122427	0.08736844	0.35114828	0.3867277	-0.00867967	0.28709847	-0.7905783	0.9999991	-0.99167424	-0.7893604	0.41888183	-0.029434916	-0.25790545	-0.6680451	0.46452594	0.57237005	-0.5746624	-0.99569565	0.37502846	0.7751119	0.6810549	0.010717677	-0.33330503	-0.4009745	-0.09676617	-0.8728951	0.31496006	0.14208339	-0.10160443	-0.95981514	-0.28511006	-0.5315953	-0.23570032	-0.5377825	-0.5276956	0.26116255	-0.29795563	0.8389247	-0.8722419	0.25159845	-0.34609812	-0.1611946	0.3752114	-0.4888976	-0.64847904	-0.009565696	0.4759931	0.12727922	-0.67859215	0.43171334	0.6017567	0.70728385	-0.4724126	-0.3193749	0.8292332	0.21882766	0.35755113	-0.4709113	-0.2563153	-0.8455563	-0.95973414	-0.60967684	0.06349894	0.42495522	-0.36144483	-0.5773067	-0.59090203	0.4038234	0.99983996	-0.44760188	0.027182873	-0.11296523	-0.5528694	-0.524949	-0.24160981	-0.61896574	-0.49630722	0.46671328	-0.51380855	0.20996945	0.16636896	-0.25753772	0.15881091	-0.22540374	-0.64309275	0.07863654	-0.9920373	-0.04594222	-0.18639694	0.5110752	0.8346412	0.24533065	-0.4732465	-0.21954282	-0.8614807	0.1873846	-0.4505844	0.5674264	0.003183909	-0.6000703	0.56010044	-0.35390866	0.8061804	0.29888344	0.41095683	0.51608956	-0.27748618	-0.11191153	-0.049290884	-0.4216397	0.3083752	0.92010665	-0.39395374	0.7605441	0.0540611	-0.15518202	-0.48392665	-0.44532883	0.26519406	-0.78272575	0.41929853	0.38359845	-0.28442466	0.5967869	-0.056112155	-0.26289386	-0.153562	0.9999191	0.3918521	-0.96479225	-0.058359902	0.999222	-0.6946904	0.69263375	-0.99923444	0.23805143	-0.7523236	0.24804707	0.090575606	-0.764958	-0.16245577	0.5475691	-0.48633608	0.40544346	-0.3008578	0.5438955	0.12122045	0.37873	-0.71119726	-0.9999124	0.9999998	0.59882814	-0.79583204	-0.52014226	-0.35341397	0.3761246	0.10653029	-0.31172508	-0.05372851	-0.7262089	0.0823413	-0.25239632	0.019903095	-0.70697135	-0.41148537	0.06753939	0.52421385	-0.23731545	0.9242254	-0.998942	-0.3647934	0.6714534	-0.25112477	0.18797712	-0.6870526	-0.07229364	0.42647478	-0.061231766	0.7821441	0.039321266	0.54885304	-0.18971127	0.9657563	0.26629668	0.51411563	-0.19170782	0.21373132	-0.62035406	0.07984007	-0.3118708	-0.45575395	0.60217106	0.12605491	-0.7535549	0.59508264	0.7430643	0.08641839	-0.010036298	-0.18538278	-0.2560861	-0.26267996	0.22116937	-0.14755327	0.28797823	0.9989122	0.70370656	-0.1343319	0.20633245	0.06361432	-0.26953533	0.99991643	0.6360615	-0.5185529	-0.18179694	0.53110754	0.8415159	0.18882722	-0.99859995	-0.69611084	0.46478492	-0.507524	0.33351254	-0.47858807
495	1	O=C(O)c1cccc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)c1	-0.445225	-0.40766552	-0.7222965	-0.63889444	0.26723936	0.029652592	-0.6257136	0.31100354	0.30416942	0.57273144	0.20047475	0.17241651	-0.5946058	0.015305751	0.61833495	-0.38466224	-0.1386554	0.3790418	0.06500713	-0.6484557	-0.13327692	0.39861196	0.10379865	-0.15552521	-0.3413869	0.4856274	0.44879407	0.24236192	0.10990035	-0.04123005	0.2462218	-0.13192855	0.14365484	0.14085141	-0.6849077	0.24812116	-0.4348421	0.73464656	0.99962044	-0.48184907	0.019113446	0.20230909	0.7134542	-0.02038142	-0.43330094	0.80405337	-0.4170063	0.18850976	0.11950353	0.33735988	0.3672294	-0.14818487	0.25075984	-0.52894807	-0.2988694	0.2687573	-0.6725832	-0.9231452	-0.698807	0.17152606	-0.6806704	0.37637088	0.32777256	-0.7404647	0.10766696	-0.49824914	0.50567734	0.15289089	0.23734403	0.058479883	-0.9598225	-0.23664416	-0.5211059	-0.6798004	0.5594504	-0.45498252	0.33476713	0.07042889	-0.5327419	-0.9864389	0.6120363	-0.72518635	-0.83723384	-0.3746744	0.16767557	-0.9516099	0.6204589	0.5921929	-0.61497504	0.67697173	0.6852964	0.096049145	0.76777786	0.5324242	0.99850136	-0.2686181	0.7974398	-0.34874722	-0.5124327	-0.18399952	0.35012746	-0.4874761	-0.44954577	0.9007719	-0.99957645	-0.6292245	0.5567993	-0.19463208	-0.88743824	-0.04967702	-0.4803268	-0.4485684	-0.33804426	-0.22920251	0.42792293	0.49825633	-0.21319008	0.57507455	0.81364846	-0.4253582	0.036243223	0.3013012	-0.7740363	0.50271326	-0.62590873	0.43026504	-0.25681558	-0.47815788	-0.023814341	0.9997839	0.32349783	0.18294652	0.40496567	0.19986631	-0.49566627	-0.97418624	0.3755941	0.4909015	-0.43829006	-0.6020338	-0.9999986	-0.47889745	0.20920938	0.27806434	0.7236616	-0.002018821	-0.3661112	0.17372221	-0.9973898	-0.21753989	-0.074692085	0.064610854	-0.38939264	0.7505331	-0.59986407	0.05988134	-0.37385958	-0.97433424	-0.87613714	-0.68813455	0.3057964	0.5976078	-0.56918836	-0.6607346	-0.38898933	0.5636769	-0.7145208	0.3129396	-0.5937753	-0.6653274	-0.018242754	-0.4047243	0.11666684	-0.19113089	0.42560384	-0.85228914	-0.6773887	-0.20212583	-0.7045497	0.6155518	-0.7647446	-0.90249246	-0.62094176	0.21325016	0.7976128	-0.6669476	0.29083028	-0.033478446	0.02266937	-0.12360209	-0.15017232	0.436029	0.11166014	0.6582026	-0.3951374	0.5703599	0.652588	-0.3330583	0.5014494	-0.5037967	-0.033963688	-0.09080531	-0.5899382	0.017002681	0.26881552	-0.10141908	0.6762452	-0.030988945	0.3403432	-0.9997881	-0.17174777	0.4459504	-0.30867618	0.41784343	-0.6305548	0.25300497	0.5675957	0.33842152	0.003425014	-0.36563507	-0.101495154	-0.06089494	-0.4805635	-0.7218568	0.95667636	0.033503335	0.17348105	-0.20241866	-0.06532255	0.48925576	0.20613037	0.41228232	0.23090571	-0.38197595	0.27852607	-0.36510962	-0.22158277	-0.15579137	-0.42675042	0.36592343	0.85094064	-0.490665	0.19272628	0.41327763	0.73643136	0.5443056	0.7251989	0.5878942	0.18236879	0.33982787	-0.1612085	-0.7877331	0.03326242	0.3923027	0.5297211	-0.058770575	-0.2810181	0.3258425	0.36506358	0.08185437	0.7982094	0.15725283	0.22030756	-0.5364908	0.399678	-0.32444945	0.6166808	0.658833	0.86874115	0.35230106	0.19951646	0.9957386	0.39463285	0.18984045	0.003098224	0.79144496	0.19498996	-0.29345256	-0.86913776	0.25835308	0.055960737	0.9322814	0.58965087	0.22789627	-0.16113687	0.6146933	-0.15430766	0.85689306	-0.088089176	-0.3104665	-0.08065791	-0.4566611	-0.07711386	0.6215098	-0.01922725	-0.23215516	0.9999989	-0.99484307	-0.7457851	0.101714745	-0.12675942	-0.20154674	-0.7047015	0.08122742	0.33903906	-0.3788624	-0.9993514	0.38343182	0.8327974	0.17545958	-0.043348588	0.4762444	-0.019553592	0.29826024	0.17221846	0.2584632	-0.3495199	0.15948975	-0.937275	-0.250159	-0.010885255	0.4767365	-0.38825548	-0.6810746	0.06472521	0.4579292	0.6545902	-0.8717619	0.15260857	-0.65496796	-0.28929263	-0.75736254	-0.4869077	-0.07600102	-0.2472465	0.7744476	0.18276417	-0.1594672	0.431223	0.43790329	-0.1907268	0.79258573	-0.22700383	0.09010281	0.21276015	-0.78885984	0.027319053	-0.22036694	-0.7194071	-0.97630423	-0.15534881	0.09100173	-0.13867624	0.23248754	-0.15363468	0.30818236	0.30312723	0.9994822	-0.13648014	0.2275707	0.604726	-0.11630419	-0.004043806	0.24769258	-0.8852188	0.32907587	-0.33828455	-0.49895006	-0.51107967	-0.10242505	-0.19276755	0.36253706	0.3423781	-0.5762138	0.67161155	-0.9968632	-0.610617	-0.5832238	-0.35428056	0.4582333	0.3890446	0.01584914	-0.39423206	0.27467063	-0.76108015	0.6615819	0.60242766	0.1942278	-0.22409984	0.6658355	-0.6653482	0.2992617	0.15162438	0.5199991	0.098070756	-0.014318288	-0.21860372	-0.6636832	0.18657084	-0.40123522	0.90320575	0.2622943	-0.55796844	0.3203871	0.28615564	-0.6434266	0.4521043	-0.37705407	0.31829372	0.18096513	-0.05347534	-0.2417745	0.4220976	0.60163736	0.7125669	-0.4043842	0.99986494	0.21465707	-0.9859178	-0.20935293	0.99860513	-0.81966376	0.48809582	-0.99767375	0.5770082	-0.77130663	0.1562308	0.18847667	-0.09142056	0.119993046	-0.19143967	-0.6750189	0.58231944	0.31750298	-0.3809953	0.5067527	0.15116331	-0.34260643	-0.9998867	0.9999999	0.7261819	-0.25079525	-0.25766334	-0.65612847	-0.085834265	-0.41138527	-0.4393676	-0.48238537	0.052763697	0.304793	-0.9130653	-0.41959015	-0.13943161	-0.011642874	0.86322737	-0.21176441	0.27570832	0.9832557	-0.9974703	0.2744634	0.28061804	0.076704055	-0.052112635	-0.26094106	-0.7269436	0.5072096	-0.10090919	-0.34364936	0.034689344	-0.17738076	-0.49638912	0.98231965	0.5811496	0.4168274	0.09833498	-0.30042708	0.36138988	-0.19287936	0.13547078	-0.5610679	0.30356258	0.005961807	-0.71244615	0.26855668	0.551158	-0.35788146	-0.15438597	0.20954224	-0.6113846	0.6995172	-0.6055274	-0.16598353	0.21095943	0.99954605	-0.7798696	0.36544496	-0.53547513	0.29378352	0.6800168	0.9982981	0.83945125	0.23136504	0.043440983	-0.4721075	-0.5907267	0.55306923	-0.9984172	-0.15482166	0.08564564	-0.18382162	0.087261446	-0.21295509
496	1	CN1C(=O)N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(CO)O4)nc21	-0.55595785	-0.21453132	0.2052998	-0.15164588	-0.5827994	-0.33430624	-0.5576008	-0.38330564	-0.52942884	-0.4354833	0.16147824	0.12837084	0.31837505	0.2834959	-0.061796866	0.6521793	0.31139943	-0.053597048	0.53254	0.2942917	0.6245803	0.49721617	0.001622281	0.74755156	0.37494463	0.76995105	0.25780594	0.56917256	-0.025069712	0.75764143	0.5748811	-0.23049198	0.094922036	-0.21811451	-0.405687	0.007948319	0.34171608	0.8410988	0.9996728	-0.5847346	0.75849825	0.41276324	0.471224	0.62194246	0.36620006	0.94215924	0.19919974	0.09566786	-0.7745126	-0.3989044	-0.26196212	0.060004126	-0.22627269	-0.639397	0.6716469	0.5713084	-0.20730893	-0.945822	0.08026021	0.30463508	-0.80710036	-0.15060133	0.12100488	0.40864214	0.18337381	-0.007402754	0.41328904	-0.08524495	0.027110599	-0.05316554	-0.99755627	-0.9194569	0.2341855	-0.7748458	-0.3729387	-0.049013354	-0.1810325	0.20553079	0.47473866	-0.99822897	0.25293002	-0.40568897	-0.93902814	-0.14572036	-0.058998473	-0.82705253	0.25951317	0.25698942	0.3323937	-0.39835006	-0.07471679	-0.051147453	-0.35557294	0.6069202	0.9997108	-0.4487776	0.35037607	0.12223894	0.21226318	-0.2845085	-0.000647666	-0.33767903	-0.5932963	0.9810767	-0.99983805	-0.8768376	0.24868023	-0.61436146	-0.999779	0.22897877	-0.8284622	-0.4660087	-0.048076324	0.19072929	0.39172792	0.4298924	0.2463684	0.43776768	0.39868033	0.05645964	0.6895312	-0.61534876	0.71042675	-0.3533554	-0.10888758	-0.48169586	-0.30520183	-0.55770564	0.24941978	0.99746704	-0.36209738	0.3055197	-0.4081807	0.008034994	-0.36626044	-0.97534364	-0.33166274	0.614615	0.45307103	-0.30692634	-0.9999999	0.6565623	-0.4997809	-0.44746926	-0.2658515	0.31668034	-0.011043141	0.47967818	-0.99944973	0.5061986	-0.047286354	0.7365835	-0.4533461	0.6229915	-0.768295	-0.18741226	-0.40163884	-0.98921275	-0.2716446	0.041012537	0.63789564	-0.8694489	0.1432183	0.07169054	0.17136446	-0.22953844	0.11686916	-0.088409536	-0.65720665	0.4866543	-0.21855678	0.41796225	0.19932124	0.24299726	0.22676541	0.23724322	-0.20138682	0.25367674	-0.50141364	-0.89626247	0.33519554	-0.9475656	0.3284226	-0.56858045	0.88492304	-0.005499864	-0.22103961	0.50304323	0.16737658	0.08095512	0.8094781	-0.14350276	-0.50287896	-0.38354528	0.2107193	-0.19355606	0.3759783	-0.7131267	0.50256866	-0.40835708	0.074581265	-0.037041176	-0.2682026	-0.6503591	0.51526016	0.62596	0.12019854	-0.060957044	0.4696343	-0.9998641	-0.38497013	-0.4428776	-0.23946114	-0.14161533	0.7786988	-0.27754924	-0.17455211	-0.24011393	-0.10421899	0.27145958	0.5037066	0.33803713	-0.011362905	0.1673024	0.9622138	0.10035619	-0.0564708	-0.006898275	0.05764701	0.8977322	-0.46864453	-0.10052211	-0.4207859	-0.7408256	-0.19272335	-0.16772169	0.41255584	-0.7227577	0.5397907	0.32052532	0.92909575	0.27243847	-0.35140902	-0.054297645	0.7159682	0.06469466	0.6442002	0.59373766	0.12918288	0.39938855	0.15875408	0.66458863	0.44408727	0.23935032	-0.4343087	-0.061926436	-0.36804077	-0.2700245	-0.04997373	0.10812009	0.010168198	-0.102616966	-0.35525656	0.062867254	-0.30222732	0.3626074	-0.1943163	0.73278195	0.47394985	0.05972142	0.15629509	0.9993644	-0.40140235	0.29619148	0.7207046	-0.006829196	0.8980672	0.33768588	-0.7704286	0.3572319	0.6649546	0.8069845	0.101662785	0.6108526	0.1524578	-0.75488114	0.1315394	0.3301845	-0.9887645	0.4407604	0.19669127	-0.7925953	0.40403494	-0.29092753	0.16060391	0.4832456	0.99999994	-0.938901	0.7619076	-0.20989978	0.32474357	0.031975463	-0.1390458	-0.0911546	0.09716522	0.7776763	-0.9996226	0.8107361	0.5643791	0.23631532	-0.25999263	-0.42136905	-0.051448923	-0.4706175	0.22123063	-0.46935305	-0.12088119	0.31171203	0.8612054	0.3133831	-0.1048172	-0.5005749	-0.7957713	-0.5399631	0.07566353	0.69645923	-0.6071111	0.19302332	-0.6222706	0.07547832	0.47876406	-0.11035349	0.35895997	0.69922805	-0.07252007	0.005749951	0.37004754	-0.21119256	0.33911628	0.7100882	-0.000624614	0.7070537	-0.50310254	-0.10576688	-0.2149356	0.13264893	-0.050405856	-0.5120663	-0.2859169	-0.98883456	0.17136998	-0.034073394	0.4809631	0.24185352	-0.19286059	0.13796934	-0.17540348	0.9990698	-0.6786141	-0.4560896	0.23130617	-0.31826398	-0.015469326	-0.41428575	-0.73701435	-0.72497064	-0.6084111	-0.13794668	0.32181224	0.59064555	-0.11635098	-0.5939416	0.51548773	-0.91793966	-0.6506258	-1	0.3788393	0.130719	-0.12067792	0.24923839	0.7359053	-0.5367027	0.18417358	0.052529708	-0.013157505	-0.24866755	-0.35554963	0.45257092	-0.6484241	-0.68092203	-0.057969302	0.56813747	0.6651727	-0.45729023	-0.06412286	0.641761	0.22541267	-0.004338434	-0.2348174	-0.5401605	0.98641634	0.15314735	-0.3279222	0.15195492	0.62564707	-0.5112256	-0.32668707	-0.60561043	0.67579883	0.76315343	-0.45017302	-0.26875976	0.22569826	-0.46777526	0.09189832	-0.19296591	0.95692605	-0.44347805	-0.9346904	-0.16260609	0.9995228	-0.6448202	0.6788836	-0.9810782	0.36480772	-0.93433845	0.23556599	0.5467254	-0.07033174	-0.43616226	0.2035325	-0.026523918	0.41944665	0.61114436	-0.39163485	0.17205387	0.121776655	0.115834735	-0.999279	1	0.92271173	-0.21518968	-0.09505733	-0.20356077	-0.32134888	0.60948575	-0.11378358	0.07692461	-0.015674869	-0.22018039	-0.27432933	0.061203063	-0.27939245	0.29933476	0.60118955	-0.3742766	-0.23781267	0.98910695	-0.99241805	0.3030243	-0.37987608	-0.48013285	-0.20709577	-0.55895215	0.29465893	0.60980713	-0.4633854	0.40677506	-0.5652768	-0.714617	0.27870533	0.9801632	0.6127103	0.86592567	-0.51503813	0.4814604	-0.4457129	-0.20387034	-0.26215735	-0.5548333	-0.053915683	0.4814081	-0.89180195	-0.44897318	-0.03315278	0.48921943	0.43365005	-0.54415673	-0.4670641	0.1024353	0.22172904	0.35620356	0.25266856	0.9996499	-0.2885566	-0.12992711	0.20561957	-0.3700925	-0.4813647	0.9999782	0.2517873	-0.13142803	0.038129013	-0.16642432	-0.39682698	0.5330221	-0.99931985	-0.09455756	-0.56430995	-0.079711534	-0.3912466	-0.13003878
497	0	CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2	-0.49466392	-0.052979946	0.49383277	-0.20874864	0.7930548	0.53251016	-0.57766163	-0.02468926	0.5278573	-0.054441337	-0.3576909	-0.5201583	-0.13226143	-0.22062887	-0.8876512	-0.5557099	0.12959051	-0.16040696	-0.31095353	0.051467486	-0.2302583	0.71335804	-0.25878856	0.11075523	0.3533754	-0.6372268	-0.58816224	0.092998706	-0.122491695	-0.36676544	-0.7710655	-0.5480773	0.8433557	-0.14625087	-0.30632952	0.39646804	0.64667434	0.09573799	0.9997646	0.11548954	0.8415725	-0.18627155	-0.45951208	-0.1770854	0.45073056	0.9980819	-0.66791713	0.38160127	0.17597136	0.31595433	-0.19225168	0.047564976	-0.15678078	-0.26918134	0.8168826	0.44544497	0.58760965	-0.99530005	-0.07520447	-0.73337173	0.24106601	-0.057787377	-0.13989113	-0.039466966	-0.31422746	0.064494655	-0.81374425	0.60239315	0.46424013	-0.6657257	-0.9933695	-0.046082508	0.43095854	0.82994413	-0.094090216	0.71745163	0.31112364	-0.36797312	0.09180412	-0.9986246	0.40513405	0.5969769	-0.95566726	-0.3908447	0.08754215	-0.94269013	0.3038674	-0.032327972	0.26523298	0.14803803	-0.7354296	0.38326156	-0.26211205	0.045228202	0.99973196	-0.18424506	0.6735734	-0.48360476	0.2672779	-0.001426304	-0.60007435	0.5345998	0.6210727	0.9822099	-0.99998254	-0.5251496	0.4212155	-0.48116484	0.9477794	0.002801109	-0.105040886	-0.42373034	0.5623132	0.54995424	0.35550937	0.38938674	0.552002	0.56991184	-0.97332877	0.6421783	0.019035745	0.48936298	0.035267543	0.5446783	-0.24001585	0.04354199	0.51724863	0.038616806	0.23300268	0.99939317	-0.6526069	-0.0434397	-0.62751865	0.15788391	-0.49989843	-0.9945697	0.5899601	-0.26437098	0.51743937	-0.9184603	-0.9999998	0.41060358	-0.83667517	-0.16566408	-0.5901449	0.45723087	0.54419684	-0.79192805	-0.99999285	0.117719464	-0.40538105	-0.11747347	0.48287603	0.6080408	-0.15729707	0.7551066	-0.51482046	-0.9998923	-0.4827649	-0.96028805	0.9858085	-0.41703662	0.23876268	-0.35568342	0.7441925	-0.025805062	-0.24870487	0.07129593	-0.2863814	-0.010592792	0.54150254	-0.16059746	0.07312639	0.0480306	-0.03973998	-0.7452398	0.9209123	-0.10038197	-0.28607425	-0.43943083	0.046848726	-0.9446139	-0.62003446	-0.1012414	0.98554844	0.6843431	0.32653937	0.3312393	0.0938273	-0.06197233	-0.34056303	-0.08051148	0.40116903	0.56060183	0.460372	0.38554895	0.5324492	-0.9133693	0.01600806	0.45609984	0.16701613	-0.12700106	0.34337297	0.08095472	0.11614303	0.24996747	-0.4879894	-0.5777367	0.31242818	-0.99983156	0.25135636	0.5124196	-0.3174271	-0.4326891	0.65835685	-0.48396504	-0.4487589	-0.7226396	-0.15196334	-0.24579541	-0.42078224	0.5925829	-0.38855186	0.5726372	-0.98193806	0.06658216	0.66447186	-0.22396089	0.16220362	-0.16931269	0.67680234	0.25039327	0.1787246	-0.651957	-0.71479887	-0.50500447	-0.56364655	-0.46793842	0.012627068	0.24553645	0.7500546	0.56550986	-0.14534421	0.6125925	-0.74296975	0.48607695	-0.54710186	-0.54171675	-0.6235349	0.45572257	0.81826836	0.5767996	-0.013527731	-0.34195396	0.31968004	0.6460796	0.59016925	-0.38147262	0.004726091	-0.23062043	0.6173343	0.07653995	-0.5735637	0.18770789	0.51928985	0.3830994	0.57957476	0.110533305	0.98603266	-0.6950342	0.4219027	0.9999118	0.3639756	0.06379578	0.25340468	-0.55900407	-0.26428923	-0.61670643	-0.7764898	0.014914038	0.4868546	-0.88451236	0.021994462	-0.7178282	-0.44160214	0.075946294	0.6195756	0.9884342	0.70600575	-0.17796786	-0.7041409	-0.9988499	0.09173432	-0.305641	0.28069803	-0.17791946	0.99999976	-0.9742322	0.30354604	0.13225324	0.1691616	-0.30998695	0.34208298	-0.3748755	-0.2713569	0.28674823	-0.99997807	0.24659677	0.9290159	0.53890216	-0.1630149	-0.021265995	0.18791981	0.40438408	0.0567588	0.2524384	0.76361394	0.4809615	-0.99988514	-0.4409209	-0.20764671	0.5823218	-0.75942296	-0.6702965	0.5784379	0.09486476	-0.25572905	-0.2718793	0.27672502	-0.60748386	-0.33414012	0.4276325	-0.17750928	-0.46194664	-0.52045375	0.77951103	-0.6214017	-0.05318518	0.6400847	0.33084455	-0.07366969	-0.2778089	0.69040555	-0.4064669	0.205546	-0.10819117	-0.2572423	0.042017896	0.70727503	-0.99844444	0.97951186	-0.04348666	0.85997546	-0.12512206	0.5756803	0.007368719	-0.09192446	0.99903417	-0.52708066	-0.8460692	0.03744598	0.4988128	-0.09998766	-0.020784248	-0.45629728	0.61021256	0.15409489	0.3088828	0.5240293	-0.021100806	-0.54264754	0.20942283	-0.60804117	-0.96013564	0.54973704	-1	-0.21903673	-0.24587458	0.012351745	0.57657886	0.93373317	0.5993108	0.1548643	0.9277198	0.15882991	0.21924932	-0.5276437	0.5097268	-0.5640372	-0.96717525	0.21885405	-0.7015307	-0.25987813	-0.7537388	0.5987401	0.47506753	0.03426532	-0.33003694	-0.6243279	-0.46017924	0.99560934	0.14075363	-0.41117093	0.37858865	0.22141668	-0.66258186	-0.24952671	-0.44342816	0.6920846	0.20501685	-0.040260408	0.58669424	-0.05103618	-0.45535615	-0.024659706	-0.27261752	0.999998	0.52773136	-0.96990323	-0.82812166	0.9859225	-0.49854937	-0.35776156	-0.9999434	0.65916514	-0.992277	-0.43229806	-0.46069098	0.08741184	-0.006614892	0.6548311	-0.77444047	0.53562003	0.5147649	0.00762613	0.42236513	0.6196297	0.28775665	-0.7830754	1	0.99689406	-0.0032849	0.36752275	-0.70274717	0.11825001	0.1920379	0.75893253	-0.6163741	0.1365665	0.37829116	0.71387136	0.22054332	-0.75344574	-0.21567652	0.016327031	0.34320942	-0.81963044	0.99949825	0.22740793	0.05308783	-0.39559937	-0.0527089	0.04066288	0.51203644	0.23955882	-0.029834308	0.12260349	0.27046353	0.39508379	-0.07801886	0.26977304	0.68278116	0.1580802	0.30254793	0.25703424	0.6706116	-0.20343445	0.8914092	-0.06128522	0.043075554	-0.31453055	0.03491227	-0.96682036	-0.007612748	-0.61140406	-0.43466735	0.31109783	0.062200896	-0.2500652	-0.95185196	-0.30274877	0.0329341	0.7697073	0.9998844	-0.009487941	-0.58633775	0.59395844	0.37805635	-0.0904456	0.99951005	0.5475298	0.18106554	0.3463488	-0.374527	0.24081403	0.7611267	-0.9996676	-0.60766256	-0.7922955	0.08237154	0.6100397	0.09611347
498	0	c1ccc2c(c1)ccc1ccccc12	-0.71914357	-0.28890565	0.33102703	0.066009	0.14977308	-0.60857904	-0.68105197	-0.013815799	0.29671854	0.19974199	-0.76746833	0.09693889	0.42615834	-0.6730798	-0.15656891	0.7948817	-0.44552907	0.1492493	0.44501296	-0.4378404	0.24911869	-0.9172644	-0.63430655	0.43734056	0.32683572	0.25941998	0.3815346	0.48867318	0.5831229	-0.066519685	0.09099616	0.4111364	-0.16760205	0.19065584	0.18328361	-0.17082694	-0.49060196	0.72074497	0.73601705	-0.9676058	-0.99693096	-0.5627025	-0.21663852	-0.48815653	0.54293835	-0.99427897	0.3887262	0.26739442	0.9895548	-0.37712663	-0.09142879	0.026464973	-0.053355407	0.09606008	-0.98435974	0.027894199	-0.76273733	0.9219642	0.057390448	-0.04600265	-0.21984686	-0.068097234	0.59678835	-0.16912447	0.111543566	0.62103075	-0.10516671	0.65253425	0.2586448	0.7506728	0.96288484	-0.61358327	0.2263032	-0.67478895	0.8822642	-0.26579845	-0.083767876	-0.07642552	0.08119738	-0.996902	-0.7238065	0.50237095	-0.71673703	0.04683216	0.1470748	-0.77802515	-0.24089281	-0.52614415	-0.3082192	-0.06779298	0.47546184	-0.41742545	0.04218197	0.029126948	-0.78826326	0.36781472	0.82131976	-0.32024378	0.54273444	0.2191218	0.3085752	-0.02268327	0.43658957	-0.04298296	0.5787653	0.27657914	-0.5745928	0.30915388	0.992178	-0.48799515	-0.37526172	0.16894066	0.07604996	-0.4707258	-0.2808901	0.5246114	0.27433017	0.4593628	0.99892855	-0.051711347	0.08206323	-0.108294696	-0.2959297	-0.027137151	-0.22107106	0.15848574	0.12858588	0.27094066	-0.16195679	0.9999363	-0.38748685	0.19489111	0.21760805	-0.6203204	0.06559197	-0.8165465	0.67457616	0.56170225	-0.56588894	-0.2370385	-0.99984956	0.21088976	0.9972576	0.2917027	0.4576304	0.56675303	-0.0640543	0.31677228	0.9718269	0.28807363	-0.37037298	-0.692567	-0.02798846	0.13775352	0.33917734	-0.1153227	-0.2575497	0.9958533	0.32570934	-0.86524105	-0.99076515	-0.30539992	-0.64793843	0.20641579	0.51428235	-0.40680552	-0.4037176	-0.22542267	0.3968367	0.44526017	-0.89053774	-0.560329	0.06990527	-0.3554462	-0.012564123	-0.9757352	-0.7784236	0.101179875	-0.081563324	0.029579086	0.42351946	0.85500205	0.6640779	0.116611876	-0.9341411	-0.46935952	0.19032766	0.09056199	-0.31457037	0.025513433	0.7289115	-0.33409715	-0.29244113	0.3353581	0.12460473	-0.1628508	0.040968876	-0.7866357	0.7779955	-0.62676734	0.4715825	0.43322784	-0.2793838	0.2928397	0.7428279	0.29062992	-0.13863416	-0.4563317	0.30039936	-0.99253434	-0.3761325	0.1988224	-0.347807	0.019790359	-0.30841318	-0.09911908	0.3229533	0.35158765	-0.37395537	0.44471106	0.027877647	-0.055073407	-0.6283743	-0.116682395	-0.9963888	0.12622117	-0.26580572	-0.012212457	0.19588952	0.21308722	0.12753078	-0.23865779	0.1479621	-0.50217116	-0.301955	-0.5646859	-0.7380644	0.1985011	-0.24674487	-0.24699223	0.8617032	-0.12545045	0.54653865	-0.37128633	0.68054175	-0.20217378	-0.2647335	0.33460477	-0.32126173	-0.19892412	-0.08271672	-0.6998787	-0.3385157	0.077241935	0.2772938	-0.03381683	0.35466468	0.3841575	0.047054738	0.1946164	-0.5341923	0.11637094	-0.3203065	-0.7603633	-0.08134244	0.16466258	-0.018697776	-0.28801635	0.3885307	0.40243608	0.31171724	-0.6788941	0.09562404	0.41003025	0.566482	0.85105026	0.20348772	-0.3044625	-0.11811713	0.16861777	-0.031524323	0.99976975	0.15987276	0.8109062	0.2900796	0.26370662	-0.5362434	0.5926667	0.989786	0.11315375	0.20933916	0.9989975	0.52479655	0.3003784	-0.30989942	0.5902117	0.99998283	-0.99667543	0.7002129	-0.48533446	-0.544507	0.258944	-0.31694806	-0.1909556	0.32728067	-0.944655	0.97787505	0.26491594	-0.71228725	0.5175878	-0.58955616	0.08551715	0.34576583	0.5259477	0.9549596	-0.09168194	0.116450004	-0.007306227	-0.9999667	0.002952335	0.019105714	0.69691104	0.47989538	-0.051019758	-0.7154526	0.021204453	0.706082	-0.9595891	-0.16762188	0.61502963	0.17936735	-0.332451	0.28756726	-0.6770379	-0.3003125	0.8955409	-0.055246722	0.12939371	-0.44904748	0.18937807	0.2645249	0.10823457	0.58378583	0.50350094	-0.42619663	0.5555332	-0.05510008	-0.53960013	-0.3938245	0.7701846	-0.9981315	0.44980627	-0.6799557	0.49202645	0.5888602	0.33107194	-0.14181623	0.99819815	-0.6397917	-0.639108	-0.20415401	-0.44253635	0.121260345	-0.032068644	-0.8993664	-0.13514659	-0.027795976	-0.3445976	0.047887214	-0.23386703	0.10485966	-0.5631752	0.6613765	0.96548545	-0.111136734	-0.97788626	0.021823842	-0.35104308	-0.16263746	0.18217376	-0.9512152	-0.4819413	0.013316451	-0.46260184	-0.5813045	-0.36348376	-0.0130555	-0.45066616	0.35613033	0.8994608	0.42524087	0.31539017	-0.34401852	0.27732134	0.003508773	0.23907913	-0.15184565	0.024691675	0.8036929	-0.27494067	-0.9855584	0.3735086	0.09321723	0.45999637	-0.058636278	-0.7917098	-0.36807033	-0.5647885	-0.37353346	0.58418614	0.5858916	-0.50767636	0.049856994	-0.34945	0.07828895	-0.18958509	1	0.59565395	-0.98068184	-0.18656905	0.9996353	-0.5182729	0.18368693	-0.9999114	-0.47189072	0.5956383	0.7707221	0.09246531	-0.40940517	-0.22406133	-0.42791376	-0.5394859	-0.6406576	-0.45074552	-0.5338569	0.27065724	0.121252075	-0.14228438	-0.999985	0.99999917	-0.9856747	0.26076373	-0.4296842	0.02362592	-0.068067774	-0.43586022	-0.7426403	0.66477835	-0.043064255	-0.55319566	-0.89526194	-0.64608496	-0.06602829	0.04240276	0.16286221	0.5010384	-0.24100372	-0.9544062	-0.99996424	-0.6330025	-0.26008773	-0.3379968	-0.48527014	-0.39524746	-0.9991901	-0.4087776	-0.47176647	0.5445212	0.097789325	0.29607913	-0.46014395	0.9836693	0.09193008	0.5183123	0.6068902	0.4128908	-0.042734407	-0.85117245	-0.07452762	0.7056118	-0.17663375	-0.6623252	-0.28215578	-0.6270564	0.049682133	-0.44355047	-0.12187225	0.030510964	0.48049262	0.71162915	0.4918804	0.20552583	-0.024936412	-0.13375726	0.09439455	-0.37257317	-0.34301254	-0.09097567	0.036217652	0.9984795	0.54367834	-0.41017222	-0.053709276	-0.08315605	-0.23178172	0.1020227	-0.100526474	0.3295411	0.16119432	0.34534293	0.56542665	0.3983341
499	0	CCC1(c2ccccc2)C(=O)N=C([O-])NC1=O	0.20149793	-0.218346	-0.14573084	-0.040869564	0.54638684	-0.71794224	0.32359156	-0.31792334	0.13062552	0.42199782	-0.4510043	-0.66342545	0.082063675	-0.51268476	-0.025185982	0.25077993	-0.37070262	0.05339051	-0.5435088	0.5160323	0.68444365	-0.7043891	0.23289317	-0.2828467	0.31770915	0.3777321	0.67269695	0.73624057	-0.4757528	-0.08706725	-0.7719836	-0.284611	-0.55753154	0.04576388	0.63943017	-0.5556126	0.62701863	0.063064955	0.9724276	0.09774548	-0.9903713	-0.10712173	-0.24410841	0.2651423	0.8327234	-0.973805	0.756383	0.71687305	0.7795742	-0.42255044	-0.60840344	0.47810563	0.18767256	-0.32027608	-0.8310809	0.5911828	-0.70864046	0.4402859	0.5641021	-0.20262168	0.11111752	0.352687	-0.4529193	-0.35848886	0.024125742	0.86496323	-0.564945	-0.110231735	-0.24606869	-0.12536936	-0.82851887	-0.99961984	0.6068339	0.49665648	-0.71413964	0.5070764	0.3234878	-0.27870828	0.58183587	-0.9999531	-0.6012894	0.2592559	-0.91114557	0.3482074	-0.242978	0.8785712	0.64434856	-0.560574	0.11158506	0.024345374	0.15513931	-0.67020124	-0.46093968	-0.047866266	0.9980135	0.26884136	-0.79410565	-0.4357614	0.28312287	-0.6483154	0.045612607	0.4579921	0.34315306	0.17607214	-0.60310805	-0.51102215	0.29383364	0.004617669	-0.9427476	-0.000300702	-0.06407132	0.5257659	0.23926418	-0.555391	0.24520516	-0.5035503	-0.5299125	0.07174468	0.99948215	-0.67927057	0.33039153	-0.5827573	0.25168946	-0.07406424	0.091722816	-0.6166706	-0.3672629	0.0680037	0.18477641	0.9508928	-0.72043306	0.31248823	-0.08159197	0.32666755	-0.225398	-0.93216884	-0.3465734	0.34787026	-0.88842314	-0.7126185	-0.9999542	-0.013083424	0.56683785	0.2666226	-0.29039466	-0.6401821	0.680306	0.69375354	0.691923	0.59886694	-0.39625895	-0.19323622	-0.55769944	0.22749092	-0.81418663	0.25190765	0.002039489	0.97358733	-0.5250255	0.35877678	-0.9788445	-0.064235464	-0.10387603	-0.06600951	0.34569177	-0.09620954	0.2979023	0.16474202	-0.80420387	0.4078546	-0.787547	0.14951852	-0.1386174	-0.27859077	0.4175208	-0.8698391	-0.23732692	0.19956785	0.5447608	0.09513911	-0.33295143	-0.99687326	0.0878043	-0.35455987	-0.33167332	0.79662746	0.640599	-0.64873	0.5651976	-0.3224899	0.12640522	0.14811926	0.40824652	0.21391517	0.53067464	0.06487715	-0.29718181	-0.48031354	-0.38684273	-0.5072643	-0.08517096	0.27349183	0.78604424	-0.82552403	0.5068102	-0.028894644	0.42910022	0.502033	0.10987929	-0.99863845	-0.09004246	-0.2613038	0.30523187	0.3542605	0.76698077	0.30263907	-0.5665948	0.1852395	-0.16944745	0.42603713	0.3918651	0.7164631	-0.3556889	0.19807991	-0.9045634	-0.3239766	-0.35084242	0.19279762	-0.05252861	0.61516607	-0.39415997	0.060490027	0.74807984	0.050049365	-0.4417634	-0.6058873	0.23611851	-0.6689668	-0.526027	-0.5441475	-0.9184074	0.43489224	0.029414522	0.098203495	-0.45946768	0.52570844	-0.50282514	0.59556776	-0.12599505	-0.41772935	0.5868998	-0.97184587	-0.6908035	-0.33342382	0.43051094	-0.3195132	0.32749408	-0.49395674	0.7114187	-0.32841069	0.53020144	0.7373363	-0.40404359	-0.5569006	0.68069005	0.6076983	0.14537083	0.32277206	0.9111726	-0.18267147	-0.6398932	0.9694634	0.3142281	-0.30033076	-0.49911767	0.23654197	0.44654602	-0.36020255	0.026728248	0.2524432	-0.47692916	0.999122	-0.543517	-0.20178652	0.22006546	0.66956824	-0.8028847	-0.5690665	-0.8837689	0.23238741	0.003220845	0.9968248	0.4313615	0.7418744	0.008702468	0.07871586	0.9999993	-0.19715022	0.6010216	-0.3565467	0.11218383	-0.20428422	0.19609813	0.16174273	-0.15227804	0.8529103	0.73802376	0.19535522	-0.68957543	-0.36009327	0.15159608	-0.35923398	0.6834584	0.60127807	-0.87799966	0.12641762	0.17956606	0.36565134	-0.9934365	-0.2700645	-0.8495551	0.50918984	0.24474695	-0.32377148	-0.10062575	-0.6208143	-0.945037	-0.6971219	-0.8967263	-0.47270742	0.5945497	0.3880673	0.3143809	-0.6871104	0.117060214	-0.96900266	0.002858133	0.17727384	-0.17882632	0.34087119	-0.22119519	0.081674896	0.17969128	0.61255443	0.037050556	-0.22698805	-0.12690347	0.78500557	-0.70997417	0.19692951	-0.98080266	0.69958216	0.4033096	-0.27309203	-0.53162813	-0.47948202	-0.33729023	0.9997318	-0.5882869	0.57531315	-0.005633396	0.2769026	-0.3851192	-0.4695762	-0.20767431	0.20664328	-0.21952312	0.76464164	-0.7607451	0.6465509	-0.017322151	-0.77010137	0.44093013	0.07786195	0.3733544	0.9962371	-0.48906296	-0.035049163	0.19291683	0.5920224	-0.819834	-0.20693606	-0.42393717	-0.521049	-0.005960517	0.32444966	-0.53000516	-0.3001237	0.45791274	0.14704059	0.43236884	0.38130763	0.077356726	-0.4528577	0.057864778	-0.4817371	-0.24990797	-0.2735592	0.92269206	0.6770659	0.6841491	0.55266434	-0.22550951	-0.109623015	0.23559788	-0.009223024	0.10619724	0.91343385	0.12819472	-0.45815763	0.10495798	-0.20471507	-0.10429766	0.5039776	-0.13243812	-0.46105778	0.9999839	0.19200148	-0.98577654	0.5663733	0.9996978	-0.39900038	0.098232225	-0.99805325	-0.32087457	0.35919014	0.6541287	0.589988	-0.6942495	0.49492002	-0.6656862	0.86705786	0.50696737	0.12933534	0.58801204	-0.5827956	0.56249386	0.65133965	-0.99998635	0.9946616	-0.9755184	0.43453872	-0.787333	0.2932418	-0.2453773	0.8320413	-0.92667115	-0.5247596	-0.56380147	-0.31541914	-0.15735061	0.44353542	-0.5748539	0.56703955	-0.14206772	-0.037911262	-0.49385157	-0.81616676	-0.9999612	0.4384503	0.19688912	-0.7292676	-0.5286991	-0.11098998	0.2681426	-0.06588157	0.1518287	0.2751548	-0.6982643	0.7499912	-0.078091726	0.81294346	0.5958556	0.8014943	0.11749026	0.19171354	0.55943173	0.5427767	0.57026964	-0.6552653	0.56448686	0.77767444	-0.690435	0.3968678	-0.310056	-0.30490267	0.17949036	0.66277224	0.18139747	-0.15151994	0.38507926	-0.60455096	0.7530378	0.7365154	-0.004342388	-0.48378387	-0.5299084	0.04555212	-0.17848907	0.9999163	0.39742926	0.07373232	-0.052184895	-0.119490914	-0.44160506	-0.340262	-0.9170766	-0.73689044	-0.010501199	-0.6838821	0.8459092	-0.0624025
500	0	O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1	-0.84655756	-0.4073589	-0.5038734	-0.14303908	0.6916634	-0.45544133	-0.5194802	-0.5340177	0.38497958	0.32372835	-0.63462645	-0.16369481	0.4407803	-0.7999431	-0.095796905	0.74134564	-0.04287348	0.2992961	0.44845662	0.20862769	0.18514003	-0.6543116	0.3626776	-0.31701097	0.06478542	0.5467526	0.5736966	-0.03691538	0.71836495	-0.04445426	-0.16879201	-0.17685439	-0.1314343	0.0436552	-0.12904774	-0.71492285	0.08194279	0.48203227	0.9984763	-0.63837016	-0.4203628	-0.36537638	0.14543787	0.1301413	-0.024496354	-0.50621665	-0.042112373	-0.4744435	0.82293266	0.5731616	0.12089649	0.16528258	0.1429736	-0.007940177	-0.85218954	0.08352666	-0.53725195	-0.3205523	-0.045493007	0.25176045	0.327139	0.25108367	0.18436751	-0.55250317	0.048709314	0.38225147	-0.39198977	0.37571725	-0.060750756	0.09980217	-0.44800332	-0.6313327	0.007519319	-0.3710526	0.80446476	0.3548988	-0.29418695	-0.53360194	-0.30686888	-0.9937022	-0.9304249	0.004369676	-0.7737584	-0.42905802	0.39050642	-0.85341203	0.4097377	-0.71248144	-0.6753154	-0.47031567	0.4626142	0.2877103	-0.19381471	0.21524991	0.95299244	-0.22070868	0.43393406	0.13178292	-0.2789213	-0.0277086	0.1933003	0.003333686	-0.4749717	0.91493994	-0.9943869	0.26563486	-0.07059131	0.16786999	-0.9999784	-0.4793029	-0.8196814	-0.17722116	-0.5686892	-0.45106974	0.48544776	0.64142203	-0.1291368	0.6731365	0.98750114	0.20647094	-0.20067441	-0.25478956	-0.711718	0.63894063	-0.7456668	0.21905872	-0.34200713	0.09470822	-0.28295475	0.99983346	-0.13390663	0.068590425	-0.24157031	0.38947722	-0.5769676	-0.35181043	0.60340965	0.79739815	-0.77118146	-0.6095415	-0.9999973	0.3748828	0.82767594	0.3207824	0.68592715	-0.05260308	-0.10681002	0.07273745	-0.9202189	-0.1835829	-0.3894164	-0.80571777	0.5390788	0.38699213	-0.27714813	-0.23987363	-0.044079773	-0.34480047	-0.78824246	0.13316754	-0.817003	0.40937445	0.06930429	-0.32882133	-0.2497692	0.2589834	-0.44749475	0.40677822	-0.6643715	-0.24302056	-0.3129062	-0.15588431	-0.027991544	0.41828826	0.2457012	-0.9741035	-0.8523069	-0.028281007	-0.16291946	-0.16212283	-0.2078413	-0.87092906	0.11392683	0.3943536	0.5149158	-0.41265625	-0.009063018	0.20926152	-0.04188289	0.0983437	0.5152358	0.10530214	-0.044321418	0.5521007	-0.4682377	-0.33695632	0.4287384	0.829292	0.54203033	0.18289213	-0.42620927	-0.05423523	-0.45282513	0.10876647	0.6997299	0.08553445	0.6523747	0.11580417	0.08700429	-0.9998928	0.065449126	0.3849285	0.5828856	0.15719235	0.000880167	0.23337829	0.62291944	0.3981402	-0.12922925	-0.29756904	-0.101904936	-0.17402108	-0.6467645	-0.546345	0.9999997	-0.18047711	0.16296323	-0.035961617	0.21291797	0.15897928	-0.25857028	-0.5704745	0.5270972	0.06844772	0.48996386	-0.4365767	-0.5319214	-0.5200068	-0.24174589	0.6396656	0.6185767	-0.39169478	0.4575526	-0.6074805	0.7916489	0.0880384	0.39221272	0.6653924	-0.046242848	-0.41858712	0.043272752	-0.7572405	-0.5847173	0.55716246	0.6744128	-0.60359085	-0.30582982	0.17997341	0.5687169	0.15037088	-0.31206712	0.19895656	-0.020662233	-0.13584478	-0.34305167	0.36525878	0.3303142	0.44059885	-0.6692605	0.6730069	-0.38123962	0.9354024	0.13705303	-0.48958144	-0.22676836	0.8768768	0.14255567	-0.11842629	-0.29432452	0.27128044	0.50574625	0.9962777	-0.29026538	0.30257267	0.39007616	-0.18913919	-0.44704977	-0.67554146	-0.9259227	-0.20685282	0.31884772	0.85989326	-0.026951404	0.63071275	-0.107752115	-0.48775262	0.99999917	-0.992286	-0.20986687	-0.110189445	0.22071573	-0.5295278	-0.6462633	0.028508551	-0.15416245	-0.95303226	-0.9625557	-0.3280387	0.76230776	0.4116797	0.12696621	-0.4216593	0.09442449	-0.27047732	0.008078123	-0.5806021	-0.29574978	-0.6482129	0.99985063	0.36320937	-0.2045733	0.33428526	0.33283418	-0.77782196	-0.814583	0.217604	0.48446566	-0.90760165	0.2964762	0.12478957	0.5176641	-0.25477126	-0.23585477	-0.60207546	-0.46359476	0.6879422	-0.106166065	0.34980065	-0.2071934	0.40464726	0.36307392	0.45119596	0.365504	0.41301864	0.31056282	-0.72814727	-0.37995198	-0.70156	-0.4600299	-0.8143167	-0.9200448	0.23213728	-0.5367868	0.3881597	-0.013330473	-0.15229332	-0.2796687	0.999337	0.013236428	0.79551494	0.005840665	-0.18241891	-0.3982888	-0.116680466	-0.9160685	0.069968574	-0.29257986	-0.35297716	-0.096368685	0.27423182	0.045070417	0.30820245	0.63124144	0.54699266	0.67485553	-0.98979795	0.5364418	-0.1826161	0.06277876	0.5690077	-0.5443243	-0.41504592	-0.7360465	-0.7682947	-0.22968122	0.23565206	0.5153198	0.13672176	0.15184666	0.5483966	-0.001529657	0.46083495	-0.36541367	0.24810822	-0.061416466	-0.265579	-0.5767183	-0.39995617	0.43916175	-0.205157	0.33368686	0.42667943	-0.36487624	0.111435115	-0.09119459	-0.059977703	-0.27610934	-0.54191494	0.04141461	0.43281108	0.08912051	0.42529324	0.1493312	0.60614127	0.102325805	-0.47320446	-0.9084356	0.44431606	-0.9821994	0.3016615	0.99869233	-0.70103425	-0.23240928	-0.6659325	-0.09727845	0.41746125	0.6904365	-0.0889763	-0.1604068	0.45918283	0.21419556	-0.7150577	-0.46626234	-0.10925981	-0.4360922	-0.03266017	0.15711103	-0.27227944	-0.9999771	0.9999994	-0.38161978	0.21907051	-0.48511812	0.29573435	0.056082845	-0.89699537	-0.6435537	-0.25873956	-0.41065672	-0.49578047	-0.93631244	-0.38063222	0.034668714	-0.54536176	0.2578653	0.116923004	-0.089238904	0.69075394	-0.99986047	-0.6998488	-0.4604955	-0.18297714	0.3598594	-0.13188478	-0.8876801	0.28276184	-0.7591278	-0.06653562	-0.383537	-0.013428289	-0.44606805	0.98495555	-0.17882842	-0.39284194	0.84026825	0.028297875	0.32334733	-0.95373476	-0.26672643	-0.27815825	0.11921316	0.13393171	-0.9501881	0.40602168	0.14010984	-0.47622856	-0.08335707	-0.8532446	-0.2646504	0.65090024	-0.4904419	-0.6537287	-0.116983585	0.99690133	0.07712479	-0.34247357	-0.07140641	0.05600261	0.2924205	0.9992497	0.633069	-0.41872028	-0.10802794	0.057387166	-0.004224333	0.21620803	-0.99426496	-0.23885366	0.7067442	-0.6243863	0.4448179	0.043215122
501	0	c1ccc2c(c1)Nc1ccccc1S2	-0.6733795	0.0579126	0.10515017	0.013967468	-0.6613161	-0.4578757	-0.6259183	0.398618	0.13036934	-0.14508352	-0.5454421	0.1894143	0.56740534	-0.61446303	-0.4106146	0.48064694	-0.53648823	0.31285062	0.13293555	-0.39592046	0.25134468	-0.75002825	-0.57146275	0.5015902	0.563062	0.5664373	-0.3711966	-0.21454966	0.47729427	0.005195846	0.07576858	0.6774931	-0.5297522	-0.12478487	-0.021610234	0.37386045	-0.17283341	0.81714284	0.73809445	-0.98373204	-0.99485856	-0.26875958	-0.4389771	0.113939635	0.24232097	-0.9941203	0.35736197	0.12281067	0.9182705	-0.08007347	0.21655315	-0.14707583	0.4313624	0.20799631	-0.9201079	0.4860079	-0.76276803	0.92073697	0.5750412	0.33209386	-0.5114686	-0.5350352	0.5589164	0.12613812	0.08174174	0.5089002	0.18676458	0.69039845	0.27927476	0.63224477	0.27570033	-0.8328093	-0.22016397	-0.50687987	0.53697956	-0.7126274	0.2376462	-0.42167255	0.045870762	-0.99169445	-0.822713	0.26824862	-0.83323514	0.43928245	0.23733695	-0.7635102	-0.6965968	-0.46766904	-0.19184874	-0.45920336	0.55080456	-0.1907787	-0.26197997	0.20537437	0.65597266	-0.26050538	0.43446732	-0.22748019	0.018356074	-0.15409382	0.12337305	-0.48186207	0.6065962	0.62970835	0.59041387	-0.21699359	-0.060079448	0.8180321	-0.8891679	0.052773934	-0.46086162	-0.105088495	0.7189059	-0.15735625	0.28093672	0.50686145	0.61535335	0.2926403	0.99923295	-0.15135185	-0.26023138	0.22866926	-0.45223257	-0.20801194	-0.4079218	0.24711044	0.33678728	-0.18521985	-0.3874895	0.9998509	0.3495564	0.0666679	0.3114463	-0.28074414	-0.14614962	-0.8677608	0.07378657	0.90243024	0.23255455	0.588195	-0.99999	0.038175445	0.9949159	-0.33182648	0.35282266	0.5005067	0.010616072	0.44604006	0.9761879	0.13117716	0.16540416	0.18375497	0.6193671	0.24725607	-0.3523423	0.5816333	0.24275675	0.99691105	-0.08314813	0.68962663	-0.98971075	-0.8439963	0.09267706	0.3732141	0.41426903	-0.47188908	-0.21509603	-0.03601139	0.20357262	-0.024880793	-0.5939531	-0.2818476	0.57874364	0.10479597	0.1824755	-0.9423318	-0.6923293	-0.24522032	-0.34120074	0.24111973	0.0361898	0.7701393	0.4495014	0.15779279	-0.94937956	-0.6319678	0.6270887	0.05713312	-0.37203282	-0.00524188	0.696785	0.0804924	0.48756376	0.41068956	-0.21748999	-0.25256413	-0.13389067	-0.5393043	0.32857174	-0.3725826	0.5625583	0.1082609	-0.761783	-0.0540327	0.2893222	-0.16187215	0.48157385	-0.37554774	0.2636834	-0.9943873	-0.41103804	0.6510803	-0.4505046	0.18310131	0.0896025	-0.39717206	-0.08479538	0.18072894	-0.20448098	0.31580302	0.47763038	-0.06860298	-0.636981	-0.09730073	-0.9943138	0.005518394	-0.18088189	0.47833169	0.3843376	0.12645824	0.21938363	0.3179218	0.605795	-0.6072474	-0.3149884	0.04924761	-0.6958355	-0.11383973	-0.10917428	0.04663862	0.942918	-0.5351237	0.036825042	-0.37760377	0.57543194	-0.037415516	0.21210814	0.13478607	0.5062665	0.26484498	-0.77552843	-0.62214696	-0.36494854	0.23082595	-0.14889695	-0.23858854	-0.08104886	0.3663176	0.5344761	-0.3183625	-0.2755198	0.61438197	0.29851583	-0.5519713	0.2769998	0.6040688	0.03675618	-0.20480879	-0.8100035	0.6710785	-0.21324076	-0.031904396	-0.3283686	0.3715269	-0.38197887	0.8196243	0.26431423	0.38569188	0.15121494	0.3487573	0.25860792	0.9997702	0.04879234	0.6872902	0.059349198	-0.23325123	-0.59049904	-0.31810814	0.72399247	0.110913105	0.57682264	0.9993314	0.28364357	0.13349429	0.13976786	0.63496923	0.99999803	-0.9912597	0.57068217	0.12853259	-0.36230454	0.5521086	0.13485487	-0.39366528	0.3835592	-0.6927691	0.9843983	0.6716749	-0.42116302	-0.1622308	-0.2541135	-0.15864882	-0.042008452	0.445791	0.9454735	-0.50812745	-0.28421292	0.27317283	-0.96545506	-0.5702601	0.10676984	0.28154925	0.18470311	-0.48487404	-0.35055843	-0.015535353	-0.55395764	-0.874441	0.09586187	0.4292443	0.40280375	0.035377473	-0.031188475	-0.4891176	0.65469456	0.78560746	0.23466699	0.46211034	-0.25807613	0.23903406	0.048211172	0.42473203	-0.32080847	0.5572758	0.03855157	0.43101886	-0.14790665	-0.14766665	-0.23641512	0.7014851	-0.9967532	-0.025457406	-0.6792634	0.7622904	0.32439038	0.41981465	-0.30275345	0.9987125	-0.6073621	-0.6667296	0.5330999	-0.5066688	0.5599233	-0.5573397	-0.87349874	-0.48541534	0.7138286	-0.28193387	-0.6425363	-0.22902054	-0.5251612	-0.7716474	0.79166114	0.86931455	-0.22483681	-0.99725646	0.081867196	-0.68645334	-0.17054984	0.17059527	-0.8832701	0.0536587	-0.25379562	-0.12278918	-0.51454437	-0.06425814	-0.039727416	-0.078078076	0.55459106	-0.020534812	0.11271427	0.3224932	-0.075638376	0.40182126	0.33372492	0.74255	-0.11543228	0.11607967	0.6201442	-0.7229851	-0.9507844	0.25865075	0.6091404	0.49742323	-0.06154041	-0.52332854	-0.039307263	-0.579107	0.10365527	0.4489397	0.61956847	0.34410635	-0.5283213	-0.31532925	0.5660809	-0.2924711	0.99993336	0.040064372	-0.9927798	-0.110792786	0.9997886	-0.69213766	0.36229166	-0.9977178	0.10015747	0.3043471	0.6925769	0.005586092	-0.10355912	-0.28449446	-0.1581204	-0.03401504	-0.15598965	-0.2843568	-0.58137584	0.51710826	0.5600425	-0.15720145	-0.99998844	1	-0.9846647	0.09981478	-0.2247112	0.6428329	-0.05996991	-0.09806314	-0.4785379	0.3951086	0.5425817	-0.3623609	-0.7682617	-0.42392057	0.24831653	-0.017521573	0.26282108	0.3384193	-0.36576313	-0.9567192	-0.999958	-0.5834519	-0.085500024	0.40076774	-0.5736996	-0.6718574	-0.9976062	-0.036901098	-0.23147695	0.27647462	-0.35681945	-0.16396655	-0.65068364	0.9433695	0.04054455	0.66997266	0.15030318	0.5941516	-0.19137025	-0.87821525	-0.34850597	0.080668636	-0.54398525	-0.5277496	-0.4512741	-0.7054053	0.29795876	-0.12844774	-0.5528156	0.013395936	0.5234796	0.27393645	0.3940459	-0.42290765	0.21397412	-0.35573453	-0.4912389	0.31780493	-0.6541889	-0.4612703	0.21378516	0.9997543	0.16625604	0.46206006	0.3394176	0.003592926	0.2717366	0.027669922	-0.16749266	0.08770796	0.32791895	-0.08792703	-0.14924859	-0.14567028
502	1	CCOP(=S)(OCC)SCSCC	0.96127594	0.14201503	-0.3285781	-0.02341975	0.6472665	0.56693256	-0.887603	0.057765625	-0.74840367	0.61393774	-0.72364825	0.61065704	-0.59894717	-0.4472558	0.065213256	-0.4166675	-0.687157	-0.05439298	0.39061195	-0.13672885	0.07806176	0.050232366	-0.43826696	-0.04870541	-0.26961735	-0.2089479	-0.45011708	0.32366937	0.13336997	-0.36850807	0.28251377	-0.5373867	0.11008326	-0.7032927	0.1458857	-0.34915188	0.18886095	-0.3335217	0.67733324	-0.9106058	-0.9844345	-0.28322282	0.18282261	0.41125205	-0.68000513	-0.98297364	-0.13010047	0.2438655	0.9936911	0.38499382	0.57231754	-0.5131306	0.26628232	0.114846654	-0.7958364	0.1305523	0.18168624	0.877683	0.32759735	-0.46576184	0.21968009	0.6161996	0.19492592	-0.021182781	-0.3760084	0.76608795	-0.5088126	0.011892319	0.27987462	0.38501805	0.52110445	-0.94932616	-0.52357095	0.84053594	0.18774757	-0.86276394	0.7216646	-0.40782607	-0.12445195	-0.9996565	0.7615204	-0.07989876	-0.033694897	0.13371909	0.66680396	0.028351057	-0.09204462	0.4086362	0.3939392	0.09632675	0.4803456	-0.26854813	-0.29567903	-0.22137988	0.98683673	0.70810765	0.41632125	0.47756386	-0.036955584	0.5208673	-0.392253	-0.09617132	-0.47168922	-0.64233595	0.6793584	-0.92564625	-0.3961844	0.4762439	0.9926912	0.38330588	0.18734892	-0.2628746	-0.63530236	-0.32747126	0.06281841	0.1548725	-0.19059467	0.20344955	0.9990332	-0.021225672	-0.6850841	0.3613982	0.5339387	0.6235037	-0.4797558	0.26576746	0.12724689	-0.6513064	-0.6276322	0.9979451	0.54614985	0.42661348	-0.023021085	-0.7475203	0.535507	-0.9812008	-0.5982898	-0.3263317	-0.03413352	0.17009038	0.99927163	-0.41294506	0.97038966	-0.7955261	0.3416539	-0.01862307	-0.3667377	-0.254909	0.93496794	0.53730816	0.45202917	-0.9220263	-0.13562654	-0.3842264	-0.1579122	-0.5431146	-0.45680118	0.99767643	-0.83376384	-0.94195974	-0.9668705	-0.7418954	-0.12677242	0.19748211	-0.79480475	-0.19709453	-0.47562534	0.5885876	0.36628142	0.48313257	0.18972103	0.39701736	0.5360294	0.38743088	-0.5630985	-0.79339486	-0.711151	0.24290968	-0.79477775	0.38843876	0.38500807	-0.7840207	0.6695623	0.7575536	-0.62428963	0.2271897	0.900422	0.5611753	-0.63153815	0.5691547	-0.063982084	0.07639261	0.5544655	0.7021403	-0.49866188	0.11673263	-0.50929636	-0.88481975	0.29245105	0.29384473	-0.38977197	-0.31227347	0.27853572	-0.80792713	-0.7234707	0.20939532	-0.3907445	-0.8569834	-0.06240668	-0.9950853	-0.41067734	0.6316763	-0.69690275	0.6268419	0.532488	-0.16685885	-0.8140216	0.20563461	-0.6117521	0.6888088	-0.33008912	-0.6862774	0.021403164	0.47032887	-0.98060447	0.15719953	0.31775194	-0.31969234	0.083338365	0.6970316	-0.56379324	-0.048534203	-0.5285682	-0.09793755	0.12143275	0.09082453	0.24462165	0.04007628	0.22088684	-0.024900414	0.9067113	-0.6080399	0.22312108	0.7591403	-0.20692658	-0.41682768	0.60830635	-0.5499689	-0.84144664	0.10671268	0.33060297	-0.9997848	-0.29597738	-0.15781799	-0.23910715	-0.4223308	-0.47662875	0.30052885	-0.5400071	-0.028405204	-0.24878109	-0.2372827	0.77440214	0.5044011	-0.8222913	0.13600434	-0.60936016	0.41735283	0.10875501	-0.29589763	0.58656687	0.9950454	-0.5795548	0.6159191	0.8714765	-0.91933537	0.45990124	-0.2082259	0.24542435	0.84106576	-0.16750303	0.99665576	-0.7093894	-0.14225444	-0.76170856	-0.25625163	0.017300937	0.6360835	0.89750135	-0.725254	0.6854005	0.9991233	0.43340895	0.92678744	0.79701656	0.3094507	-0.9984771	-0.83811885	0.45372662	0.44806194	-0.3493944	0.5421599	0.10426654	0.451344	-0.4739535	0.30708683	0.9897911	0.6920369	-0.26578248	0.4601707	0.7703056	0.2235048	-0.5531705	-0.21103208	0.40653235	0.72447795	-0.060092576	0.287497	-0.9999584	0.21456839	-0.059137896	-0.75555223	-0.11089607	-0.89436734	0.7775656	-0.79594225	-0.09702401	-0.58473414	-0.097337484	0.31845057	0.2126724	0.26928362	0.57219625	0.11386491	0.005529809	-0.033072457	0.16572861	-0.5243	0.21285574	-0.571608	-0.18099862	-0.26956972	-0.4481606	0.5943804	0.3727437	-0.48528853	-0.49039987	0.85471785	-0.098430336	0.815802	-0.9804058	-0.8278517	0.4971133	0.52154815	0.49995747	0.24993731	-0.13325031	0.9996414	-0.67493886	0.06984224	0.3878008	-0.6557377	0.45905602	-0.61638075	0.14101404	0.03115409	0.08592963	0.39966264	-0.16313955	0.30955955	-0.046249356	0.6454493	-0.21292365	0.49247715	0.26070985	1	0.41018575	0.09120229	0.27789122	0.071604885	-0.76975137	0.3335757	0.0723031	0.58964777	0.48792782	0.032114513	-0.47437406	-0.2289796	-0.81164104	0.27119857	0.1417926	0.5329101	-0.7177164	-0.4408978	-0.40699393	-0.946714	0.28430805	-0.5057861	0.4176386	-0.6766093	-0.42135623	0.42138404	0.1454649	0.30263847	0.7030717	0.13490944	0.4725783	0.20006116	0.61387515	-0.105048575	-0.8510363	0.76478684	0.10498115	0.040466517	0.28363034	-0.17623833	1	-0.8670005	-0.6616965	-0.54403293	0.9971212	0.32439724	-0.12098631	-0.99996185	0.043881178	-0.669985	0.08290637	-0.2243121	0.18843438	0.07110529	-0.4911988	0.61754024	-0.2791928	0.4874454	-0.3796495	0.053322442	0.57183576	-0.11002503	-0.99970335	-1	-0.99572635	0.43050048	0.5328696	-0.68417263	0.017412975	0.6874024	-0.3517104	0.80620736	0.8696587	0.3720837	-0.010390972	-0.18584126	0.37537935	-0.5511371	0.39194322	0.2548501	0.38899046	-0.97669965	-0.999163	-0.07481327	0.6640797	0.5171592	0.39196652	-0.46127325	-0.9280824	0.6930926	0.5802389	-0.11792668	0.2554401	-0.7986397	-0.33510914	-0.8645022	-0.007356983	-0.3379883	-0.055655483	0.20308727	0.58454674	-0.07730587	-0.015774421	-0.05788605	-0.4864377	0.7260867	-0.9965097	-0.17430884	-0.12225268	0.11387912	0.11361127	0.14374928	0.33451745	0.109082446	-0.013945656	0.2988437	0.4918594	-0.5531723	0.5087843	0.20946704	0.59601736	-0.4986917	-0.23221445	0.99942	0.70388687	-0.3002742	-0.21447508	0.28808177	0.14028072	-0.11128259	-0.63242114	-0.2639118	0.59060735	-0.4464784	-0.38776982	-0.07851801
503	0	CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21	0.98636484	0.3711191	-0.34203547	-0.085412584	0.27829027	0.020618876	-0.81699896	0.23147853	-0.60329694	0.1057618	-0.40717787	-0.3856495	-0.39128047	-0.7957866	0.81286615	-0.30746374	-0.3771872	0.001751624	-0.3248427	-0.07366622	0.14841288	0.1868709	-0.028999414	0.2454408	-0.40528387	0.17218158	-0.10060812	0.61773515	-0.28639445	-0.07005146	0.60250205	-0.66270196	-0.27877995	-0.32356277	0.51978076	-0.70389843	-0.19949187	0.07664128	0.9970156	-0.60523427	-0.9701129	0.30181542	-0.51553625	0.75182724	-0.8099154	-0.44683456	-0.39232957	0.2713665	0.95623565	-0.123266235	-0.07665801	0.11909085	0.535357	0.56537247	-0.44761938	0.33475718	-0.24784541	-0.35400078	0.6008179	0.081258036	0.18986602	0.55891854	-0.014290373	0.48027125	-0.7859105	-0.12018249	0.14990808	0.464182	0.175631	0.23188241	-0.94425976	-0.9545014	-0.57117707	-0.3388123	-0.6108387	-0.869738	0.5134789	0.097213596	0.504267	-0.99992883	0.59180194	-0.19331953	-0.88621354	-0.017469365	0.36891946	-0.6802407	-0.1870003	0.06636319	-0.069179356	-0.088017546	0.038941443	0.27276093	-0.047645155	-0.6582494	0.9995995	0.40865293	-0.23208739	0.3870386	-0.48122242	0.68219274	-0.61079675	0.27397102	-0.54060656	0.63636434	-0.97114223	-0.9871782	-0.5772807	0.80848557	0.9460488	0.55393744	0.26291606	-0.2359611	-0.7933767	-0.046399824	-0.1038407	0.15871556	0.050829586	0.40880123	0.99372435	-0.5215709	-0.69473296	0.64969593	0.5121009	0.09822473	-0.59610605	0.14433953	0.13424243	-0.084448285	-0.08865374	0.99906826	0.30556068	-0.41930515	-0.3834099	-0.599584	0.4417844	-0.9630754	-0.777006	-0.34963816	-0.18178612	-0.5103618	-0.999698	-0.66252166	0.53699434	-0.629374	-0.14461856	-0.48250306	-0.47292134	0.08796952	-0.6834778	0.17543884	0.67893344	-0.69961715	-0.056785166	0.27340153	-0.8280673	-0.4845551	0.64752114	0.6549557	-0.5260706	-0.96945	-0.74925786	-0.8093772	-0.34915948	0.26952946	-0.44985837	-0.10270748	0.01419745	0.57739985	0.41238406	0.06653513	0.68824005	0.2625917	-0.19474998	-0.45124537	-0.3874899	0.27796787	-0.3006281	0.72011364	-0.59223783	0.77572614	0.7705755	-0.9831837	0.744146	0.7012192	0.22561264	0.3729068	0.71958584	0.76635677	-0.65367335	-0.071385905	-0.7691695	0.26484457	0.108425505	0.3688309	-0.4669873	0.2303466	0.03145708	-0.92538136	0.014074492	0.6759019	-0.2395657	0.019266792	0.027024636	-0.5398772	-0.11987092	0.113185026	-0.23615304	-0.7424161	0.33694282	-0.9998166	-0.24189612	-0.2680035	-0.4259028	0.5908213	0.84472466	0.095158175	-0.7478263	0.2184862	-0.68214834	0.6860124	-0.35976246	-0.2648941	0.52257913	0.43569	-0.98093253	-0.22677276	0.40188882	0.13903505	0.18370402	0.20482211	-0.4216672	0.298458	-0.68373966	0.54145294	-0.33076027	0.0723775	0.32149285	0.38295427	0.15500407	-0.58117485	0.7438163	-0.27883005	0.32412103	0.54867053	0.080576554	-0.65308714	0.6178159	-0.66649187	-0.7838606	0.61369526	0.3723164	-0.96460676	-0.19407853	0.16788375	-0.62334853	-0.72704387	-0.29332954	-0.3916955	-0.34338698	-0.6540324	-0.073227145	-0.16328917	0.4774299	0.5739405	-0.6385706	0.065685086	0.1959547	0.7377374	0.6519394	-0.52603984	0.9478275	0.9975683	0.12414395	0.69380784	0.9139099	-0.6168064	0.31501284	0.22282213	-0.3573643	0.374318	0.47225982	0.9947546	-0.8055581	-0.45116985	-0.6818399	-0.22669505	0.8391058	0.90087306	0.7007825	-0.6382088	0.65533227	0.9769522	-0.16588107	0.6448092	-0.2803511	0.20589402	0.9998965	-0.90469116	0.66452795	-0.15373187	-0.4169195	0.8632812	-0.6077548	0.4169532	0.22083189	0.73534364	-0.7756671	0.69437534	0.22935566	0.62949497	0.71469694	0.25828412	-0.5759652	-0.42741752	-0.47263548	0.70308995	0.48043087	-0.10911007	-0.9999584	-0.14262491	0.10135779	-0.5083743	0.095845	-0.85685205	0.8798694	-0.46284348	-0.35568103	-0.5911124	0.37817454	0.72181386	-0.6299737	-0.07808358	0.07190855	0.3224899	-0.3387895	-0.1503008	-0.17219618	-0.19490883	-0.11404089	-0.5510873	-0.24499978	-0.6179033	0.021028042	0.46363148	0.5006741	0.3909247	-0.4646724	0.40828392	-0.39778942	-0.68193793	-0.8941643	-0.93456113	0.5619413	0.34689602	-0.611235	0.009760838	-0.69168335	0.99974346	-0.8629345	0.38204277	0.14662467	-0.4541737	0.53237724	0.07095409	-0.4289954	0.22096854	0.22022814	0.27555642	0.6838007	0.84745616	-0.35566938	0.69355553	0.18831629	-0.5918285	0.27961156	0.99609035	0.6128268	0.27117437	-0.11272643	0.4922305	0.07081404	-0.43794966	0.6169104	-0.049282324	0.16764955	0.18654718	-0.42164588	-0.27612582	-0.7816257	0.53684527	0.042743344	-0.15285203	-0.9183445	-0.14629494	-0.34757093	-0.89469755	0.6681247	-0.52014405	-0.19876738	-0.53823334	0.9325832	0.50202304	-0.114582375	0.4686872	0.54086953	0.34848955	-0.19250086	0.62692314	0.63171804	-0.22048539	-0.78958595	0.28318757	0.16146524	-0.060906984	0.19660182	0.09970154	0.9999998	-0.61451465	-0.9385868	-0.2654802	0.9995376	-0.44845873	-0.59455186	-0.9999355	0.066644184	-0.84182334	-0.17790602	-0.8165765	0.34352532	-0.7275744	-0.63136697	0.4750128	-0.24890575	0.36682025	0.0714662	-0.47702882	0.15467085	-0.32650778	-0.99993676	0.9942181	-0.8036995	-0.3013184	0.76883096	0.12667222	0.046953615	0.37458608	-0.5044156	0.11245473	0.35703117	0.2904157	-0.2674167	-0.23244096	-0.09019901	-0.3660944	-0.22509404	-0.2735299	0.67112255	0.22046532	-0.9994939	-0.17008667	0.095856555	0.77635115	0.24152271	-0.2955481	-0.24083841	0.4897453	0.7031841	0.039583817	-0.03582512	-0.6533885	0.23739819	0.9744499	-0.008630822	0.46449387	0.28694645	-0.12088593	0.66263956	0.4211172	-0.66984767	-0.61247325	-0.50877726	0.083722085	-0.91298234	0.11051483	0.1799905	0.15111738	0.17681605	-0.15168975	0.05110408	0.53835005	-0.2975337	0.7210634	0.3806783	0.98822117	0.40452194	-0.49860892	0.42897362	0.07769754	0.25139305	0.99994624	0.88305557	0.36458772	-0.6029387	0.40586776	-0.19528253	-0.30670813	-0.9918749	-0.12548655	0.7982206	-0.053905804	-0.5366656	0.36855936
504	0	Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl	-0.8096884	0.009756731	-0.7278365	0.120179355	-0.77607995	-0.2511247	0.008057395	-0.5755173	0.58969223	-0.06973561	-0.55350095	-0.4110307	-0.04556886	-0.28367576	-0.09275366	-0.51568097	-0.08655547	-0.14463842	-0.5732329	-0.48057356	0.8280354	-0.3456032	0.6948181	0.13749811	0.20001948	0.33877838	0.4048584	0.14188316	0.34414265	-0.058789324	0.43332568	0.62757015	-0.41623548	-0.3682805	0.07989368	-0.53362876	-0.44268337	-0.32709685	0.81481415	-0.7505018	-0.9131177	-0.18731496	0.045752835	0.05963023	0.4666701	-0.9900372	-0.003237253	0.043941177	0.5890126	-0.08611576	-0.27167106	0.772483	-0.0298176	-0.09771408	-0.8842041	-0.34157562	-0.8308722	0.7736945	-0.46689397	0.08094272	0.5030351	0.20680313	0.0605966	0.29618606	0.3412129	0.55547035	0.5152319	0.29231125	0.57787305	-0.5033097	-0.8039316	-0.97095215	0.16225892	-0.48077825	0.44855917	-0.2868429	0.10931942	-0.68589866	-0.1378033	-0.9952514	-0.81521726	-0.5168931	-0.8420118	-0.12583417	0.0967373	0.331239	0.59713805	0.48127618	-0.28784046	0.1880266	0.4093013	0.06725153	0.26591533	0.69086796	0.9888398	-0.3766936	-0.24489966	-0.37444744	0.5420621	-0.2575728	0.4518303	-0.7664781	0.4768942	-0.8603098	0.609837	-0.8778931	-0.09109962	-0.19835837	-0.9992985	0.36653525	-0.5930648	-0.32297868	-0.72215855	-0.3864818	0.5019521	-0.14402483	0.35181764	0.4044908	0.99972165	-0.71943957	0.5051435	0.049206514	0.043626327	0.27899715	-0.16586556	-0.44268465	-0.21441406	0.5849737	-0.36212087	0.9936394	-0.59894717	-0.4644666	0.7258929	-0.077034496	0.03627401	-0.28779125	0.6635033	-0.1071913	-0.84328496	-0.27005133	-0.99942327	0.37595898	0.93754196	0.39778405	-0.3722889	0.4225193	0.21830654	0.1694905	0.98309785	-0.7121118	-0.44449165	-0.48580676	-0.3776182	0.2707911	-0.5253094	-0.38099197	-0.17652728	0.99784636	-0.8243403	-0.42708492	-0.9881889	-0.41677397	-0.37718415	0.13164778	0.28665966	0.061041627	0.24112934	-0.62732077	0.090625994	0.4675185	-0.8858189	0.13386366	0.015011845	-0.4253779	0.42160234	-0.5536555	-0.8767905	0.127553	-0.007957071	0.54859215	0.12517342	-0.9703524	-0.10481643	-0.27106997	-0.35550916	-0.21314074	0.43136543	0.18944125	-0.08033065	-0.025552804	0.98105776	0.14384128	-0.010817671	0.043049186	-0.48902908	0.2836376	0.52180827	0.727009	-0.46115118	0.25138167	-0.22975908	0.61695224	-0.66373676	-0.73409957	-0.43795273	-0.32880476	0.1483032	0.69641787	0.6574251	-0.98329765	0.4610364	0.084475115	0.08077168	-0.053117942	0.25147477	-0.35997388	0.23946176	-0.21312796	-0.32776612	0.2115888	0.5480358	-0.68232375	0.15296152	0.5869455	0.9999962	0.020803908	-0.055505592	0.7551825	0.5778848	0.038683046	-0.3128101	0.14997302	0.30694014	-0.33016065	-0.18597466	-0.51080734	0.15778068	0.14864801	-0.36741897	0.15318973	0.8877441	0.6473298	0.3944859	-0.48837376	0.47114137	-0.37949884	0.0811627	-0.0887779	-0.22772878	-0.5099963	-0.18704966	-0.9988949	-0.48753014	-0.14650021	-0.63483775	-0.37025943	0.54973847	-0.023712154	-0.37112564	-0.099984705	-0.5383706	0.35809425	0.5506971	-0.5165319	0.42851645	0.17516951	-0.2952665	0.074514955	-0.6167126	0.17538652	0.481981	0.56234443	0.21400304	0.15110213	0.3752852	0.9571531	-0.27206278	0.27288532	0.19432278	-0.33686253	0.49680734	0.99939257	-0.011450467	0.5377792	0.17179593	-0.2427317	-0.39275867	-0.8586906	-0.77262396	-0.28251252	-0.4420875	0.999421	-0.01013537	0.91488963	-0.28999758	0.08980962	0.99928045	-0.79197925	-0.14305457	0.31088004	0.20434384	0.3732531	-0.70023656	0.30886483	0.58308953	0.036943845	0.98688364	0.66250706	-0.72502494	-0.22487865	0.21884769	-0.4152586	0.1747293	-0.19417603	-0.30957243	-0.030537056	-0.34580037	-0.21548477	0.9104166	0.06985154	-0.4468756	0.55000764	0.4298752	-0.49196523	-0.5674209	-0.077018626	0.8013093	-0.9613463	0.4656231	0.066629015	0.3806236	-0.3019504	-0.6827779	0.35009986	0.072787724	-0.26875144	0.23209171	0.017513152	-0.25017023	0.5649959	0.014567063	-0.76618725	-0.3811339	-0.26960632	-0.433302	0.39768896	0.42142028	-0.045787312	0.35572934	0.76211834	-0.99040073	-0.124862805	0.23715162	-0.43432513	0.4932654	0.5765913	-0.004687992	0.9980191	-0.30586377	0.6306677	-0.19699293	-0.06506164	0.56824124	0.38421476	-0.31962633	-0.57056683	0.6613201	0.6347617	0.053403564	0.33736056	-0.46711582	0.6915715	0.79641014	0.4791546	-0.15595298	1	0.17688172	-0.3259858	-0.08552315	-0.6757318	-0.8640732	-0.7018997	-0.604161	-0.32845584	-0.4271021	-0.25378916	-0.47878656	0.24590346	-0.79536974	0.90998244	0.3937046	0.11766827	-0.18635559	0.61888945	0.21233857	-0.63471407	-0.012719628	0.49202976	0.9237782	0.548946	-0.22258823	0.2245992	-0.004526265	-0.060537476	-0.12772495	0.3988715	-0.05176864	-0.022270136	-0.07056131	0.22309403	0.63423926	0.47145483	-0.24088365	0.30392432	0.6069817	0.30248788	0.9672524	-0.014208562	-0.9942501	0.59342957	0.9994492	-0.5850824	-0.069210775	-0.9698509	-0.5012056	0.70939124	0.77603394	-0.59011286	-0.06460249	-0.20942011	-0.1941268	0.12890296	-0.02528752	-0.30981725	-0.5114964	-0.39957586	0.6168212	0.29699138	-0.9999869	-0.99856776	-0.9975709	0.27755594	-0.45741877	-0.43369356	0.24179283	-0.65373594	-0.91590005	0.4302995	-0.32818493	-0.4448839	-0.42781943	0.38585845	-0.7106685	-0.014952775	0.40575114	-0.34452423	-0.6092308	-0.9691917	-0.99994576	-0.20006731	0.018004118	-0.080421604	0.34149608	0.5774226	-0.5426416	0.5507655	-0.20995584	-0.29982144	0.36802158	0.1980585	-0.21501425	0.92488706	0.83649623	0.6499835	-0.8260707	-0.5907445	-0.59297127	-0.4443444	0.26446205	0.46507302	-0.37298527	0.68854153	-0.19761647	0.15143903	-0.5175307	-0.69194454	0.049288332	0.7320516	-0.46733353	0.7807883	0.4381404	0.5193572	0.5212706	-0.37331098	-0.48630688	-0.1297571	0.15846539	-0.1434428	-0.32556972	0.99973226	0.7526064	-0.5679708	0.2494659	0.36308956	0.14609073	0.6481537	-0.3747385	-0.684956	0.007204565	0.67350733	0.20378543	-0.11128027
505	1	COC=C(C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1	0.68186533	0.1293834	0.03585765	0.30589202	0.003355092	-0.4949346	-0.08982893	-0.2789613	-0.15240808	-0.73156244	0.8048476	0.3395879	0.21015742	0.18238254	-0.14547902	-0.3306783	-0.25644958	-0.2578715	0.51999784	-0.15878351	-0.04699493	0.1302862	-0.080686726	-0.19035421	0.14177495	-0.16518037	0.6926511	0.3003737	-0.3143518	0.6419454	0.59831935	-0.7396827	0.343449	-0.52513415	0.49299714	-0.20908666	0.6742004	0.5353502	0.9992027	-0.4237418	-0.61039764	-0.0940951	-0.3925812	-0.45891577	-0.8661249	0.015072917	0.13228062	-0.033669244	0.9849368	0.7503914	0.4754276	0.3001072	-0.4186396	0.6193984	-0.4330621	0.2159918	-0.5921386	-0.58960235	-0.18845248	-0.36932847	-0.22041488	0.29694128	0.10101373	-0.63112575	-0.45788798	0.45768577	-0.4637084	-0.566147	-0.039906412	-0.52371186	-0.45958915	-0.9068926	-0.21976411	-0.48892444	0.11670516	-0.049445946	-0.57450956	-0.526484	0.2298136	-0.99978054	0.7032854	0.22306673	-0.9156782	-0.01338481	-0.09977779	-0.87553394	0.07994911	0.044124186	-0.21684566	-0.43946105	-0.088394664	0.20651433	0.5948664	0.8099453	0.9982	0.109349236	0.2985052	-0.7520692	0.40213805	0.73106986	0.08278471	-0.05610319	-0.88200307	0.9126926	-0.99747986	-0.91090167	0.32311422	-0.35295755	0.97205037	-0.071892545	0.18519995	-0.022308476	-0.7151461	-0.3292074	0.15301432	0.31473467	-0.5693757	0.3428848	0.97710794	-0.29884738	0.27345628	-0.23006994	-0.4250356	-0.17996377	-0.05370587	-0.037563384	-0.7106842	0.18226558	-0.006302615	0.99898314	-0.05267161	0.1304429	0.6641559	0.47821182	-0.31066155	-0.9840536	0.17728521	0.2710078	-0.40680516	-0.37118283	-0.9999525	-0.35335425	0.70118445	-0.08900571	0.29197443	0.46983024	0.37233257	0.13953567	-0.9820062	0.10884235	-0.34033293	-0.8305499	0.10554484	-0.68697214	-0.2648761	0.10355879	0.11946038	-0.42221162	-0.6479634	-0.96632993	-0.6553553	-0.38931984	-0.06366645	-0.3605512	-0.44074488	-0.36631978	-0.8123606	0.49279565	0.53449297	0.61587286	0.5400285	0.3569518	0.1591	0.6206041	0.18879993	-0.74220586	-0.64793736	-0.6736243	-0.4073596	0.16230051	0.35951155	-0.94182426	-0.6230415	-0.050641898	0.55728275	-0.2615055	0.66189003	0.6671172	0.01707735	-0.38738886	-0.060546283	0.052983657	-0.19577445	0.28533056	0.27302656	0.44038194	-0.23731755	-0.81363446	0.16689095	0.002824192	0.45176962	-0.30892897	-0.32360315	0.26373816	0.053685848	-0.13947394	0.16734327	-0.6546377	0.26580706	-0.9999409	-0.120540954	0.031179873	-0.51346797	0.21548334	-0.44114402	0.77789074	-0.51219314	0.10836674	-0.021595309	0.31981525	0.133764	0.08472647	0.26987666	-0.5162385	-0.9886183	-0.6073567	0.46504265	-0.546647	-0.5471894	0.7208026	0.033983245	0.73096657	-0.22602949	0.004573689	0.001215092	-0.18616237	0.10124721	0.2125708	0.069934934	-0.5125606	0.8842029	0.38021484	-0.4891101	0.40245724	0.4109141	-0.08294403	0.35142264	0.443119	0.29831713	-0.12252687	-0.09939683	-0.9698344	-0.6978334	0.42913947	0.41853765	-0.24446855	-0.65313065	0.17397137	0.04309468	-0.17427188	-0.18226747	-0.7615668	0.11038761	0.36842337	-0.28023642	0.7645089	-0.5676856	0.28730357	0.94578725	-0.5453275	0.13589472	0.9990366	0.450593	-0.037704974	0.011338857	-0.77747077	0.22925471	-0.49970642	0.20232056	0.32355544	-0.06946021	0.99338424	-0.41641766	-0.025749635	0.045627777	0.34805503	-0.104079954	0.8325342	0.7189945	-0.6150415	0.010336615	0.7941409	0.39162004	0.39550576	-0.3893092	-0.49831408	0.99998474	-0.9671993	-0.53186625	0.168579	0.26007572	0.4723146	-0.5075076	0.3395453	0.21023943	-0.5640196	-0.977264	0.55886	0.495642	0.6278387	-0.46339315	-0.49114293	-0.30601773	0.08647242	0.02726439	-0.10784492	-0.3961698	0.36897337	-0.99993306	0.033378843	0.00473656	0.4266524	-0.114997916	-0.7105868	0.49668404	0.8383719	0.47318992	-0.61414355	-0.6208339	-0.33868974	-0.48403433	0.10866399	-0.52522945	-0.042187825	-0.6170979	0.41728935	0.42090043	0.1409051	-0.39098334	0.15309368	0.5086019	0.44064328	0.5618207	0.5895709	0.23436087	0.2816323	0.5286708	0.25010714	0.31380892	-0.8521832	-0.8745039	0.6991983	0.05978881	0.09642637	-0.10397412	0.21536583	-0.024073793	0.99989146	-0.07614382	0.34234372	0.081800975	-0.44333762	-0.071150444	-0.29354033	-0.66276366	-0.44967064	0.27485555	-0.5170731	-0.119847246	-0.41927335	0.064029776	-0.6121716	0.40403783	-0.41205904	-0.28514957	0.99123526	-0.13711233	0.613275	0.64948744	0.7428098	-0.22588782	-0.05174021	-0.09904437	0.58249307	0.06713148	-0.75913477	-0.18115892	0.098311074	-0.19335365	0.49152538	0.72244316	-0.1493547	-0.52941537	-0.022941759	0.58237684	-0.7192361	-0.45985407	-0.14063007	0.010094128	-0.13069975	0.7947436	0.031345386	0.09107699	-0.6102967	-0.57131714	-0.5475464	-0.53822863	0.07717013	0.72310936	-0.23149727	-0.5400226	0.025010332	-0.2529771	0.032587517	0.003437647	-0.40583763	0.9999999	-0.53029585	-0.9319901	0.095611855	0.998316	0.10118971	0.40463358	-0.99989593	0.5974263	-0.7826236	-0.033861883	-0.6239614	0.5969694	-0.40985325	0.46344256	0.28893974	-0.40307567	0.14801925	0.37490213	-0.25196746	0.16732675	-0.008443934	-0.9999597	0.9959232	-0.12863737	-0.09783197	0.4601097	-0.23780751	0.5501292	-0.056329712	-0.33438608	-0.2046355	-0.5275601	0.5395989	-0.8079382	-0.08140827	-0.017856847	0.36718425	0.7252742	-0.41278046	-0.48026836	0.7562509	-0.99963856	0.31650862	0.37390152	-0.29978603	-0.3586853	-0.27131367	-0.58885604	0.28063032	0.11788967	0.5312988	-0.52738094	0.46029103	0.24155457	0.96989244	0.13858052	0.6673635	-0.04977351	0.047181413	-0.1808608	-0.06057969	0.2727168	-0.026258217	-0.15377764	-0.08019672	-0.9785344	-0.004288623	-0.013200474	0.4116726	-0.5167041	-0.23866211	-0.4257481	0.6572385	-0.122690685	0.47981244	0.40916878	0.99817663	0.32114643	0.5389059	0.019442918	-0.3902338	-0.6479184	0.9999063	0.5839309	0.33724687	0.007906994	0.44939953	-0.61053425	0.4401889	-0.9973922	0.29497617	0.41326597	0.001730878	-0.31895414	0.49336186
506	1	CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1	0.8405105	0.23005807	0.5578836	0.047706824	0.03754605	-0.6301393	0.18064138	-0.6102783	0.6325222	0.25955528	-0.50479716	-0.12619732	-0.30917057	0.30031574	0.10741093	0.25601178	-0.31817213	-0.30425107	0.49553505	-0.34873062	0.51673496	-0.10399657	-0.5026856	-0.3236315	-0.26891455	-0.36028236	-0.316881	-0.09302754	-0.4934944	-0.04161522	-0.1552273	-0.10605998	0.644182	-0.38409752	0.23396675	-0.72114384	-0.07941754	0.39730024	0.9978735	-0.057814207	-0.7299208	0.18897869	-0.7291433	0.117587216	0.32963875	-0.044369027	0.09799895	0.06946772	0.9050771	-0.44608855	0.5715116	0.6192315	0.48513654	0.014694094	0.009348984	-0.56451607	0.41294834	-0.075746775	0.84947467	-0.12113116	-0.30608878	-0.13989721	-0.38037854	0.24099283	-0.3009607	0.6148041	-0.59692436	-0.22464435	0.1501884	0.18262872	-0.61375296	-0.97703254	-0.059632987	-0.040508438	-0.22679223	0.14799349	0.36440527	-0.6655897	0.48002544	-0.99985623	-0.46416274	0.6647543	-0.95731336	-0.33804303	-0.4728673	-0.8021928	-0.11882487	-0.18839757	0.17729269	-0.18554795	-0.14283629	-0.5246216	-0.06536339	-0.08382406	0.99794555	-0.30721313	-0.09322092	-0.3924536	-0.18023525	0.24810219	-0.22538157	0.43132162	0.17310384	0.9953778	-0.9941798	-0.83614916	0.5570141	0.27428442	-0.96694744	0.47668704	0.7285669	0.5454664	0.741202	0.15566553	-0.4027584	0.5283094	0.06676865	0.03890891	0.96857196	0.6147717	0.6833589	0.5780654	0.01669619	0.13298787	0.48219222	-0.4347297	-0.30147895	0.067110784	0.5710501	0.99882704	-0.69877803	0.34138843	-0.4470071	-0.06173678	0.085930124	-0.9609079	-0.846296	0.75487506	-0.3874452	0.20601684	-0.9999383	-0.34840518	0.4300044	-0.51702905	-0.2528144	0.32197332	-0.50842124	-0.25341052	-0.94268	0.65934384	-0.02238466	-0.79081917	-0.4170516	0.43501744	0.26931918	-0.059867468	-0.10118296	-0.17819044	-0.2945367	-0.33891448	-0.6613482	0.20107171	0.56300735	-0.1825909	0.7333431	-0.18876052	-0.037149172	-0.49994597	-0.36003816	-0.28646386	0.21812582	0.006181865	0.499899	0.34705907	0.35813117	-0.94179106	0.06888516	-0.71688807	-0.78480417	0.43143675	-0.012848975	-0.96417415	-0.37575352	-0.16517459	0.13467143	0.41547316	0.26905936	0.20667411	0.8217168	0.29741865	-0.41735294	-0.44745493	-0.27732843	-0.2288763	0.4130884	0.019811334	-0.5743756	-0.83379567	-0.008059623	-0.32555592	0.8422305	-0.71373284	0.16701432	0.7374305	0.16740242	-0.5919944	0.37656698	-0.76003975	-0.42074913	-0.99982184	0.15872394	-0.4296672	-0.24364735	-0.53000826	0.34128308	-0.031939264	-0.44066468	0.039693616	-0.3277386	-0.2414938	-0.8149512	0.3937058	0.2884118	0.15012585	-0.91679955	0.285658	0.29374543	0.40638274	-0.20422561	-0.2940275	-0.44074848	-0.15938531	0.01587257	0.57902247	-0.7111698	0.33853462	-0.40724918	-0.46182615	-0.31055942	0.16074798	0.6657386	-0.2508634	-0.13564354	0.37590927	-0.09383781	0.3207366	0.41233975	-0.12945491	0.40590093	0.6015564	0.81777334	-0.78266203	-0.2751933	0.10376603	-0.32634684	0.346448	0.7080334	-0.3029287	0.25548506	0.16440132	0.36396784	-0.0908878	-0.6901398	-0.4003729	-0.03105174	-0.018552214	-0.07619937	-0.4654762	0.59173554	0.43318295	-0.5256837	0.9954358	0.006322866	-0.43192178	-0.37592533	-0.38611186	0.5356164	0.62093437	-0.22424647	0.81650907	0.24301596	0.9947008	-0.11707616	0.3445539	-0.29419708	0.35544878	0.31237957	0.21907929	-0.8673016	-0.061170295	-0.11017633	0.8738581	-0.43890008	-0.6879245	-0.21444899	0.5728841	0.99999225	-0.95211196	0.6822457	0.1881006	-0.020677814	-0.5577213	0.06457844	0.15345657	0.24066384	-0.6871444	-0.9751085	0.11305187	0.83153003	0.33059916	-0.40944672	0.75940883	0.3586193	-0.48246393	-0.11066973	-0.116321996	0.4139173	-0.06310566	-0.9590165	0.62356395	0.37145585	-0.63718027	0.013086312	-0.49192297	0.44289637	-0.8054057	-0.7353571	-0.24257968	-0.5672119	-0.23064812	0.36067674	0.027781453	-0.53298074	0.044281244	0.3214262	-0.07859569	-0.1760715	0.43656093	0.05560335	-0.5515145	0.042746797	-0.30684912	-0.12378076	0.25547338	-0.28077403	0.015739994	-0.30998796	0.32560116	-0.3168655	-0.86590487	-0.9038917	-0.034134757	-0.8127255	0.00210983	-0.51545686	-0.5727029	0.31210223	0.99922454	-0.31110704	0.4550513	-0.571255	0.25165567	0.3701963	0.10093099	-0.50854045	-0.4856695	0.25602928	-0.3677351	-0.72858715	0.79113686	-0.6248494	0.2574881	-0.6837074	-0.45915937	0.45467532	-0.9796844	-0.56123585	-0.6574619	-0.25885049	-0.055235982	0.3226136	-0.024691595	0.6086195	-0.52096593	-0.22207473	0.54754573	-0.16069822	0.544463	0.1707554	0.37151328	0.018001964	-0.48190293	-0.30113906	-0.38727286	-0.5535257	0.22493207	0.06914443	0.19610469	-0.8589342	-0.55879265	0.821985	-0.008893494	-0.3045872	-0.21613316	-0.47791252	-0.39324924	-0.1602873	-0.011466564	0.47218305	0.61330795	-0.16467805	-0.51221794	0.40787876	-0.049551684	-0.4849959	-0.7349556	0.99995345	0.70991284	-0.9303919	0.5939067	0.9986226	-0.09185785	0.4335087	-0.9993912	0.39649662	-0.9653037	-0.35893348	-0.4161507	0.53627956	-0.21291003	-0.19686127	0.14252442	0.46395126	0.25452912	0.7292028	0.28633267	0.39357156	0.2789133	-0.9999528	0.9999994	0.16194893	-0.11378857	-0.71576446	-0.09509174	0.026260277	0.32365018	0.68799514	0.35967037	-0.47083426	-0.25421986	-0.5130811	-0.47303322	0.5302556	-0.37311164	-0.34558108	-0.51932937	-0.08262114	0.7259283	-0.9994714	0.30989945	-0.10418151	-0.007963173	0.28512794	-0.47411084	-0.5345023	0.5421432	-0.20522653	0.42221332	-0.7977503	0.22095405	-0.7021199	0.97610176	-0.7320663	0.2859845	0.6534364	0.2721221	-0.2806955	0.36866713	0.120436475	-0.64504623	-0.24223657	0.4337988	-0.9517313	0.42386025	0.5180791	0.3854447	-0.72897613	-0.39058125	0.584406	0.005484324	-0.60464483	-0.32228097	0.45110348	0.9966854	0.8136647	-0.54207516	0.42855254	0.31220376	0.06671372	0.9999917	0.7581084	-0.5439987	-0.19524154	-0.029577222	0.44504824	0.41240242	-0.9979081	-0.083551034	0.63476145	-0.693043	0.3614412	-0.42187294
507	0	CS(=O)(=O)c1ccc(C(CC2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl	0.06878552	-0.21751481	-0.40289125	-0.4697164	-0.33379352	-0.07845081	0.3274094	-0.36069122	0.7292267	0.10512575	0.10221553	0.025528358	-0.6987055	-0.1864003	0.42719942	0.4369755	0.51642716	-0.3380501	0.3398255	-0.8061901	0.78970736	0.40304306	-0.651122	-0.44872582	-0.2783013	0.27104688	0.11221944	-0.23442067	-0.66861063	-0.29970655	0.2359932	-0.7067387	0.77472144	0.27467245	-0.2212952	0.09462624	-0.2503809	-0.3268997	0.99957734	0.18364142	0.6193748	0.13910066	-0.56817114	0.6144117	-0.572923	0.6548428	0.27130553	0.4908721	0.9063193	-0.27317497	-0.6047642	0.21136296	-0.4254704	0.5302052	-0.03289933	0.5785851	-0.39718577	-0.88729393	0.031734556	0.574838	-0.5630077	-0.20517722	-0.005318308	0.27647713	0.17438933	-0.24701913	0.440815	0.44859594	0.42237237	0.57529306	-0.8175668	-0.9778774	0.60534585	-0.053432666	-0.6803197	0.047520917	-0.18407628	-0.19993953	0.40346277	-0.9999746	-0.062485196	-0.74518704	-0.7633173	-0.44476458	-0.72913975	-0.5833047	0.089668036	-0.531992	-0.8512226	-0.32367322	0.5506627	0.6275875	0.6850331	-0.5382571	0.9996218	0.2932747	0.09234352	-0.088397056	0.36050245	-0.46216458	0.37986892	0.20671372	-0.21305116	0.97140414	-0.9992606	-0.88550735	-0.6206712	-0.06140091	-0.92595017	0.58404684	-0.7029707	0.70816565	-0.40645567	-0.05544839	-0.33484948	-0.65611637	-0.09205673	0.002354774	0.91131765	-0.2895437	0.01107358	0.54792327	-0.7222426	0.5135813	-0.63152015	-0.76650405	-0.2731661	0.04454374	-0.2504434	0.9985755	0.82523036	0.5258868	0.17975608	-0.1714671	0.18014573	-0.9934284	0.049017143	0.08487246	-0.48522478	-0.26005363	-0.9999985	-0.028985206	-0.6618147	0.08249162	-0.437804	-0.28576294	0.20300144	0.31992754	-0.99577767	0.73664355	-0.29211178	-0.54205865	0.030691627	-0.13101195	0.7893611	0.446772	-0.46153116	-0.9117926	-0.6581629	-0.036220927	-0.32404247	0.2548647	-0.222042	-0.5583883	-0.5814278	0.6384821	-0.5098563	-0.28328842	-0.10090752	-0.6155742	0.038807545	0.37949622	-0.051713265	-0.07527195	0.63039553	-0.7049487	0.783157	-0.09509066	0.47635597	0.05053393	-0.29196042	-0.99938303	-0.151344	-0.39635935	0.8893151	0.6217167	0.72969	0.28672174	-0.26435158	0.43411487	0.2253478	-0.9224886	-0.39419886	0.34539276	0.31549558	0.29853204	0.052469045	-0.6060816	0.42680347	0.4675487	0.020804727	-0.5419396	-0.57427806	-0.62827474	0.060939148	0.13062017	0.25537616	0.28282997	-0.03899742	-0.99992245	0.39912856	0.12056911	-0.22832005	-0.7359528	0.026725363	0.07751426	-0.03029658	0.62656444	-0.15675272	-0.4778949	0.26497912	-0.025056586	-0.13477825	-0.69320387	-0.9126521	0.53892565	-0.81095165	0.011119268	-0.18466885	0.3961719	-0.439374	-0.42034087	0.55976564	-0.27731186	-0.2869714	-0.8244772	0.005031996	-0.52109045	0.38644803	-0.47313872	0.9343715	0.23785691	0.76611996	0.5648401	-0.07202371	0.36281097	-0.66551775	-0.123863354	0.43489018	-0.30639485	0.59657055	-0.78645766	0.8348901	0.62636524	-0.30259567	-0.6831036	0.07483952	-0.7139394	0.011162585	0.10857114	-0.53431135	0.35631013	0.55285674	-0.38417584	-0.37248388	0.06574661	-0.09464802	0.03692095	0.92193687	0.62289375	-0.57392496	0.99854964	-0.07315248	0.47074157	0.5013824	0.090248965	0.7494203	-0.39939338	0.22097047	0.5907757	0.6187214	0.9620757	-0.37621206	-0.059857942	0.23855384	-0.16474526	0.43955407	0.607001	-0.87931514	-0.65572417	0.2790564	0.00401748	0.42690375	0.2711368	0.15136437	-0.7602687	0.9999995	-0.9437474	-0.41463095	0.14553785	0.09168805	-0.08684665	-0.7342779	0.720586	0.6338521	-0.63591355	-0.99769163	-0.023882832	0.6905819	0.56997967	0.3363016	0.027238531	-0.50875336	-0.58676815	-0.9626294	0.3452752	0.39447734	-0.16865148	-0.9476466	-0.11133501	-0.4138543	-0.5032184	-0.30048695	-0.3001753	0.5986119	-0.37534994	0.6310007	-0.56311315	0.37175882	-0.482669	0.14954357	0.006667134	-0.5000534	-0.5018831	0.041664585	-0.19865388	0.41700068	-0.46908137	-0.23365675	0.61089206	0.5694254	-0.3229404	-0.42325976	0.6720861	0.27247867	0.32165366	-0.31490594	-0.067056075	-0.7013242	-0.97515917	-0.29888883	-0.07805257	0.1899831	-0.67108077	-0.52801996	-0.18085131	0.013910294	0.99970233	-0.45840406	0.51072824	0.054916024	-0.39349434	-0.31412566	-0.05562718	-0.50733715	-0.5821574	0.7927545	-0.3858633	0.5617816	0.1860572	-0.2337278	-0.15079828	-0.10463467	-0.7425725	-0.17868666	-0.9924551	0.17385052	-0.4335135	0.4613524	0.76812756	0.15912715	-0.7852258	-0.19211592	-0.75330126	0.2678521	0.21201491	0.43402383	-0.116586536	-0.6025727	0.052979678	0.042973805	0.6791984	-0.18995337	0.59706146	0.012625584	-0.3045771	-0.22427964	0.101821855	-0.33921248	0.5165539	0.9864718	-0.31682566	0.659705	-0.46827665	-0.37735775	-0.54072905	-0.6720255	0.23240846	-0.35826233	0.05575151	0.3755271	-0.61398435	0.4675896	-0.38105315	-0.400747	0.11721699	0.999867	0.13056754	-0.94383067	0.015154073	0.99940383	-0.6590281	0.52040094	-0.99898285	0.44182286	-0.6666212	0.3209349	-0.115579456	-0.67627716	-0.11992367	0.6313787	0.25433147	0.45617798	-0.34266505	0.69243073	0.24141559	0.59318507	-0.69795054	-0.99990785	0.9999999	0.69617754	-0.82363	-0.6199579	-0.4685147	0.37113503	0.4227309	-0.117755435	0.13030568	-0.7168537	0.1414738	0.1200989	0.42684993	-0.54722583	-0.6285039	-0.22332942	0.15868554	0.09847802	0.94223565	-0.9986109	-0.16435134	0.6359623	-0.0636893	0.15867391	-0.66618705	0.7652429	0.3979031	0.16046575	0.785555	0.22391419	0.778647	-0.32339334	0.94568264	0.36381006	0.28987482	0.022582503	-0.36408707	-0.6949673	0.6148751	-0.19298112	-0.7111918	0.75615746	0.6761314	-0.907065	0.57723016	0.6744477	-0.39126214	-0.19875532	0.28131148	0.09804121	-0.21531865	-0.19135688	-0.7429171	0.29204956	0.9990698	0.6112831	-0.24585526	0.11812174	0.028203433	-0.11451957	0.99995536	0.49622998	-0.59563893	-0.3201317	0.14507854	0.62931985	0.067731686	-0.9990881	-0.587604	0.08879829	-0.48274356	0.32162052	-0.7637004
508	0	Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C	0.64385796	-0.017494457	-0.063909054	-0.55041814	0.043285508	-0.1325415	-0.68162555	-0.5497838	-0.11509181	0.62853074	0.24708593	-0.33824062	0.20492832	0.55242	-0.50397897	-0.48030296	-0.79780716	-0.44224477	-0.7767702	0.22311863	0.48997024	-0.012021602	0.45112696	-0.31129733	-0.3135781	0.52020466	0.28478074	0.43085343	-0.5765967	0.5301452	-0.40467155	0.17669302	-0.41010377	-0.38006553	0.036795266	0.5663856	-0.5509318	0.40331078	0.9722127	-0.54913086	-0.9650004	-0.6551238	0.5127176	0.0783418	0.3589062	-0.9346823	-0.36152902	-0.033798706	0.9414817	-0.58819634	-0.33830348	-0.31022322	-0.2039774	-0.4858643	0.003743005	-0.13533384	-0.5296091	0.30661124	-0.74021536	0.22765166	0.1493665	0.289261	-0.31675774	-0.6795249	-0.108740665	0.7714946	0.63887054	0.261253	0.67805004	0.20019339	-0.19439802	-0.99778956	0.19868633	-0.22446924	0.023511903	0.049347967	-0.43735886	-0.5292098	0.60398525	-0.9991067	0.36751306	-0.41078833	-0.8863998	-0.22516872	-0.2837667	0.48477048	0.49327663	0.017115258	0.23557952	0.36579967	0.4924417	-0.1038736	0.028546749	0.07143143	0.9994375	-0.28661385	-0.64833087	-0.26278383	-0.019506713	-0.09191631	-0.26566273	0.20244052	0.3074114	-0.028602676	-0.65564334	-0.9751826	0.4646004	0.15301263	0.9942735	-0.55229425	0.16015752	-0.1377591	-0.3754745	-0.46264833	-0.27395886	0.19121017	-0.00878444	-0.2798518	0.9990737	0.08715555	-0.35296947	-0.17503041	0.8547752	0.24750566	0.20965888	-0.53843683	0.6213807	0.25540912	-0.3157713	0.97281146	-0.7170032	0.18517286	-0.69795305	-0.1251334	-0.102131605	-0.98148185	-0.28390017	-0.6402982	-0.47885317	-0.678471	-0.999585	0.5208513	0.77591634	0.045252487	-0.65422136	0.010148877	0.0994332	-0.42053178	0.6195258	-0.64935935	0.68769747	-0.7203979	-0.39218834	0.29325607	-0.31303775	0.1869629	0.38453674	0.98130894	-0.7075194	-0.9732685	-0.96726626	0.3018152	-0.55394465	0.40790287	-0.05472278	-0.15860987	0.3738363	0.36039406	0.0952178	-0.59388113	-0.5950924	-0.7286279	0.5631961	-0.39516962	-0.43925956	-0.30166453	-0.52634305	-0.1797789	-0.7787898	-0.3564808	0.6749185	-0.9739144	-0.22925381	-0.8154063	0.17176908	-0.40163225	0.19679792	0.3759269	-0.19259742	-0.7368093	0.9548731	-0.2746902	0.03331674	0.3352424	0.15720782	-0.29959425	-0.32633588	-0.90288407	-0.805454	-0.45645058	-0.16534513	0.35981548	-0.4869927	-0.587237	-0.29802987	0.28471705	0.74430454	0.19600713	0.70368403	-0.9989042	0.23936099	-0.46155596	-0.39639595	0.49742335	0.73719436	-0.041177474	-0.22752129	-0.3131563	0.34133214	0.29687896	0.05563917	-0.65490055	0.53268	0.46115094	-0.9858923	-0.3399429	0.22439697	0.45788538	0.16829738	0.039033968	0.4868581	0.1807108	0.09097008	0.44884378	-0.79031473	-0.46783715	-0.3840451	0.003704508	-0.29197392	0.16993389	0.86183065	-0.019721877	-0.2958292	-0.3662545	-0.25459012	-0.14516729	0.030613234	0.21580948	0.72869164	-0.30335173	0.40138283	-0.9983632	-0.35590222	-0.37957132	0.36309835	-0.04071526	0.4621967	0.63847953	-0.048053246	-0.4512942	-0.009523262	0.37917757	-0.14681686	-0.22793964	0.19125125	0.21715192	-0.48145264	0.13331462	0.8592671	0.5695234	0.89433783	0.99074733	-0.024965718	0.48778793	0.84619105	-0.8050036	-0.000409342	-0.15550719	-0.5630158	-0.20301832	-0.44341686	0.9992365	-0.48797545	-0.37795585	-0.32747412	-0.23564379	0.10391405	0.3828839	0.86080396	-0.31657904	-0.028137496	0.9976789	0.27809444	0.8780816	-0.14385651	-0.6230665	0.99930805	-0.53701836	0.40586075	0.63915306	-0.31135252	-0.24397007	-0.34066668	-0.87452734	0.5652191	0.7624867	0.69495034	0.24565078	0.12798183	-0.24597636	0.036732234	-0.5444326	-0.31328082	-0.0769055	-0.038774606	0.22120863	0.78426164	-0.056482077	-0.99998283	-0.055123057	-0.4842499	-0.036676448	-0.45052436	0.35063273	0.6398984	0.105292514	0.001688905	-0.16517082	-0.48901114	-0.26021007	0.012940499	-0.42069626	0.10164663	0.100454636	-0.5335745	-0.85222256	0.17947392	-0.005430751	-0.41998243	0.35543633	-0.005702868	0.3061936	0.11038403	0.21994892	0.47528085	-0.53781694	-0.153429	-0.032773424	0.52575016	0.3061871	-0.9819523	0.47373775	0.712397	-0.41578677	0.001425671	-0.12347819	0.2842027	0.9996564	0.24338496	-0.2590739	-0.49161354	0.18914336	-0.21428607	0.053142723	0.41259915	-0.008634026	0.61892384	0.4710177	-0.61172354	0.32805836	0.00148233	0.32620817	0.35004753	-0.4065221	-0.81561327	1	-0.71294725	-0.41808134	-0.32371137	-0.3100791	-0.43945116	-0.20870422	-0.5658851	0.108887285	-0.6249472	0.5180778	-0.65399957	0.31414264	-0.14326671	0.6324159	0.013894576	0.6014885	0.34256518	0.21174437	-0.016276062	-0.8769167	0.4977932	0.6998698	0.5761819	0.3454812	0.6163347	-0.21240515	0.7095794	0.06305589	-0.0316149	0.0448683	-0.004968509	-0.37504682	-0.0764902	-0.28759623	0.46252027	-0.00533531	0.4978217	-0.3937313	-0.30688214	0.31916264	0.9999999	0.77463794	-0.98491865	0.78517455	0.9990806	0.50433487	-0.15193364	-0.99993443	-0.2976854	-0.8119476	0.2211897	-0.11930427	-0.41350704	0.7527715	-0.24762312	0.77800184	-0.62692165	-0.34283802	-0.30735484	0.055789337	0.03134763	0.49946892	-0.9999688	-0.99486446	-0.97626585	0.49912888	-0.22117807	-0.35019666	0.1732395	-0.12621537	-0.8859554	0.46300936	0.33956775	0.24324629	0.114643045	0.06502688	-0.13876107	-0.11063609	0.6041139	-0.27136257	-0.23436219	-0.8388637	-0.9999439	0.46174023	0.46873724	-0.26240003	0.26589772	0.13183993	-0.2220489	0.6668244	0.50824124	0.014178977	0.41654077	-0.3281275	-0.7591167	0.9751595	0.027533231	0.77147114	-0.50929964	-0.020954791	-0.79580504	0.6562479	0.44371095	-0.24470246	0.239473	0.75676185	-0.6849729	-0.012826827	0.35958546	0.14484215	0.3335717	0.8252399	-0.1902386	0.7991211	-0.39512643	-0.38320303	0.27367833	0.707202	-0.71101606	-0.0950548	-0.102359585	0.08221253	-0.05546442	0.9997546	0.7802874	-0.43781963	-0.06369424	-0.057340678	0.15670574	0.3603603	-0.97413194	0.5749989	-0.7733258	0.39057162	0.100007296	0.105056904
509	0	CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1	0.97371185	0.47970676	-0.35686308	-0.67207247	-0.70921344	0.3391955	-0.9488385	0.5140401	-0.46216834	-0.07197415	0.112530924	-0.5885243	0.5535191	-0.1980233	-0.33650064	-0.74523574	-0.68192273	0.46199977	-0.35916343	-0.5611834	0.16835119	0.31006145	-0.01544497	0.69312656	-0.23048477	0.17183223	-0.40260783	0.2946395	-0.5000344	0.27913576	-0.56087595	-0.80048305	-0.5967832	-0.55757266	-0.13751289	-0.6658408	-0.7365764	-0.10377258	0.9935632	-0.61638266	-0.94669616	-0.39520955	0.84765786	0.29613608	-0.002921757	-0.7339919	-0.20525065	0.63319147	0.98382854	-0.35462886	0.4330111	-0.84122944	0.058404166	0.3163134	-0.50434613	0.70526814	-0.7445257	-0.1953	-0.7824569	0.112215996	0.47859326	0.000464646	-0.18459755	-0.4374031	0.003391541	0.62631863	-0.59285945	0.03552807	0.34294042	-0.049158502	-0.51593596	-0.9850598	0.045761418	-0.29456994	-0.49833485	-0.8284364	-0.47957784	-0.8250754	0.69979703	-0.99944466	0.7343742	0.29548714	-0.9444247	-0.45864114	0.8031006	-0.19734207	-0.53637326	-0.06150612	0.58953446	-0.15776934	0.3745154	0.413774	0.50233334	-0.50255144	0.9995151	-0.014307148	-0.4883105	-0.18573469	-0.4152968	-0.6520628	-0.08971998	-0.03326966	-0.26740494	0.11362529	-0.9530121	-0.99430954	0.32976243	-0.10687252	0.9868833	-0.34182537	0.8286996	-0.6213519	-0.3237188	-0.770093	0.3724844	0.05712644	-0.31357798	-0.48415703	0.9979848	-0.321714	-0.25864172	-0.44108948	0.5011315	0.3281727	-0.5112755	-0.52602077	-0.3671371	0.19559912	-0.21218167	0.9875793	-0.77742094	0.097175315	-0.11272323	-0.46708825	-0.40758684	-0.93992746	-0.5970049	-0.37549078	0.04193378	-0.62596095	-0.99968374	-0.04431644	0.6294607	-0.85451156	-0.6782781	0.06096439	0.5168099	-0.23594114	-0.5609735	-0.043770675	0.67757356	-0.7886386	-0.6393293	-0.11262641	-0.41571826	0.19005553	0.0972111	0.8872652	-0.83149636	-0.972318	-0.8615401	-0.25631788	-0.6079326	0.64901984	0.49995938	-0.6988312	-0.13847423	0.54329723	-0.4963153	-0.76500225	-0.14381842	-0.26515934	-0.1965066	-0.59818107	-0.21066621	-0.18717495	-0.57988554	0.20708828	-0.93878144	0.16035862	0.30254793	-0.98560184	-0.1904852	0.3465345	0.70780635	-0.37753996	-0.04171759	-0.13736755	0.06845772	-0.27271128	0.90351075	0.4638515	0.68313706	-0.31018412	-0.22852157	-0.25848073	-0.83176285	-0.92117095	-0.50632364	0.29505062	0.2971517	0.3765593	0.4362093	-0.2302001	-0.20109694	-0.01264188	0.63020414	-0.82240796	0.3758241	-0.9996814	-0.11768677	-0.28484043	-0.351224	0.8706751	0.5884145	0.6419398	-0.73260576	0.22064045	0.50205153	0.1208903	-0.54532784	-0.6986082	0.51795495	0.2687044	-0.9951301	0.01226665	0.18034351	-0.17522618	-0.2236281	0.030814942	-0.24267915	0.56949735	-0.27835363	0.62548137	0.34524906	-0.29834783	-0.46562082	-0.07721144	-0.2628014	0.53279275	0.8699676	0.40345863	-0.548495	0.58331954	-0.5726354	-0.33500215	0.52956545	0.4284045	0.006927303	0.24141079	0.15201214	-0.99877197	-0.7751815	0.50997984	0.067317426	-0.11319331	-0.503982	-0.023550346	-0.07633512	0.54457164	-0.08033762	-0.3327747	-0.4104219	0.054851174	-0.24064709	0.22672379	-0.45326892	0.14534956	0.43910092	0.33609265	0.7804744	0.999747	-0.69161606	0.92985564	0.64770013	-0.9713932	0.21953046	-0.08948313	0.29324552	0.5962975	0.12295124	0.9963966	-0.5596679	-0.29885006	-0.63589215	0.072725944	0.2847968	0.55263	0.7990693	-0.82138664	0.8353382	0.99239117	0.7015648	0.91061795	0.57501423	-0.027457831	0.9970736	-0.71531767	-0.03661879	0.35343513	0.037720438	0.38837752	-0.50495356	0.21145287	0.6292004	0.81742364	0.124416664	0.5966496	-0.034620676	0.3816286	0.2147408	0.6163191	-0.4430719	-0.44722846	-0.35369557	-0.07159123	0.14080238	0.2693487	-0.99995667	0.69916517	-0.034075342	-0.6140393	-0.42150217	-0.55856085	0.92336786	-0.50516766	-0.3168181	0.2201595	-0.40719062	0.43453604	-0.18138048	-0.65735334	-0.48935184	0.41883102	-0.89539456	-0.47679707	0.78277135	-0.6904864	0.18743244	0.4344051	-0.1595253	-0.3022184	-0.28631333	-0.025250884	0.31634805	-0.48191687	0.7502752	0.65655345	0.6901959	-0.15088065	-0.90752	0.32927847	0.024362803	0.24593577	-0.14119577	0.083631314	-0.12693506	0.9998939	0.7048	0.5475616	0.5718154	-0.44493225	-0.052966766	-0.15507258	0.3727502	-0.8161025	-0.18180402	0.5530027	-0.3900568	0.28085577	0.12075866	0.51805407	0.35778826	-0.6898396	0.69739723	1	0.27563342	0.006751213	-0.6388803	0.023875304	0.029260302	0.357445	-0.27659217	0.7923075	0.123578586	0.13779847	-0.4301326	-0.7123092	-0.35002184	0.5250571	-0.041340817	0.77834374	-0.4352785	0.1808253	0.18481421	-0.94936264	-0.09757565	0.024995042	0.51151115	-0.42592412	0.8574134	0.18160982	0.20294082	0.55730534	0.39140356	0.10382244	-0.17749059	0.57999754	-0.4403009	-0.43170527	-0.8421452	0.015003612	0.25752646	0.46575096	0.5674932	-0.25641963	0.99999976	-0.13880928	-0.97301024	0.17511374	0.9985975	0.38731277	-0.1489416	-0.9999128	0.22290576	-0.8821363	0.25304583	0.47336698	0.14660311	0.7706246	0.15742244	0.82407314	-0.6688735	-0.52756315	0.005367631	-0.21311936	0.60859776	0.8301998	-0.9999018	-0.99727786	-0.94977796	0.180904	0.61536115	-0.3658965	0.5615353	-0.1027769	-0.64943945	0.3642177	0.8786897	0.3632154	0.02192593	0.4263188	0.49214	0.1893312	0.63516873	-0.22543812	-0.5442516	-0.5004634	-0.9997707	0.5485086	0.21665247	0.22403294	-0.18431598	-0.23022704	-0.032301754	0.8400135	0.47817656	-0.81047046	0.6827972	-0.80633247	-0.47742558	0.9518272	-0.71656775	-0.060493268	-0.41856933	-0.6725863	0.11312336	0.56479025	0.5616006	-0.085179254	-0.35852674	0.8962188	-0.9880249	-0.34094593	0.47436547	-0.25463942	-0.084169716	0.3689667	-0.081889465	0.6539994	-0.3750035	0.31813908	-0.7891244	0.9144653	-0.074905284	0.094690315	-0.41082248	0.15201962	-0.8140153	0.9998956	0.5389792	0.71522135	-0.10688555	0.3409325	-0.1686416	0.20431541	-0.99037	0.5911885	-0.42634788	0.1207251	-0.7119316	-0.18116161
510	0	O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	0.092657946	0.390199	-0.8932839	-0.35890657	0.6795565	-0.6207636	-0.58851486	-0.41354248	0.057156324	-0.39896014	0.74478084	0.49241892	-0.4418844	0.8544247	-0.05998982	-0.9701617	-0.36572406	0.5677633	-0.37717152	-0.6012486	0.16017321	-0.108185925	0.44615322	-0.55933744	0.22851616	0.4770814	0.5864122	0.7097677	0.8618313	-0.23294288	-0.19970599	0.72992736	-0.19887291	0.030449573	0.31612843	0.75410837	0.71412784	0.55089134	0.9939909	0.260021	-0.9528554	0.15629424	0.16524248	-0.012679332	-0.29613805	-0.9490291	0.92434984	0.4124614	0.98573697	-0.13351052	-0.5499774	0.44252935	-0.33183828	-0.1755767	-0.781397	0.040372	-0.79998624	-0.41054177	-0.6137843	-0.12931475	-0.07003141	-0.10018726	-0.14919628	-0.46470812	-0.59437615	0.72138727	0.33290756	-0.59421945	-0.4844927	0.283211	-0.2573723	-0.991206	0.46113172	0.84810185	-0.18839869	-0.2076847	0.7147595	-0.52417505	-0.41207486	-0.9998208	0.43285003	-0.068158366	-0.7844126	-0.36347297	0.21937007	0.5299799	0.17189333	-0.34135574	-0.12228533	0.15796368	0.3217628	0.6941106	0.11006697	-0.23572917	0.9959324	0.20810686	-0.10707178	0.006076587	-0.5457943	-0.18805939	-0.088392265	-0.69328314	-0.31510076	-0.67453104	-0.9090116	-0.35697374	-0.0183924	0.43659434	0.98027575	0.035837695	-0.68747324	-0.26417	-0.88462144	-0.7596021	0.29612538	0.20005494	0.5364708	0.31095773	0.9994637	-0.7471472	0.40730444	0.2513908	-0.15290064	-0.56655204	0.08754164	0.45937818	-0.6009455	-0.3656714	0.053532053	0.9959201	-0.42327514	0.03768824	0.85420096	-0.56399715	0.17679241	-0.9491792	0.5927333	0.18921275	-0.77758545	-0.71385753	0.9991033	-0.550209	0.8557275	-0.12835635	0.5774994	0.059168473	0.8038724	-0.007928017	0.036456995	-0.08919146	-0.48565152	-0.73366654	-0.6691739	-0.74130934	-0.74574673	-0.27768683	0.42766812	0.93325025	-0.87572074	-0.9269521	-0.94647956	-0.19965746	-0.5752457	-0.11841788	-0.19504291	0.42961636	-0.79569906	0.41373152	-0.58260477	-0.30723327	-0.8002666	-0.7961936	-0.04207192	0.5204369	0.037613157	-0.93643844	-0.7805981	0.64098585	0.24129045	0.06461694	-0.42949536	-0.9956087	-0.4561395	-0.9424416	0.5148856	-0.42167106	0.7079605	0.60717416	-0.5374122	-0.8794776	0.3058277	0.70329857	0.7680764	-0.5507259	0.14553742	-0.3711438	0.6391352	-0.12254352	0.17588747	-0.38042194	-0.68779457	0.32134876	-0.3380808	-0.8076852	0.3318283	-0.06829461	0.6406263	0.73226994	-0.77293456	-0.9996677	0.049167678	0.5973805	0.14481361	-0.04114796	-0.5375902	0.4803708	0.082618974	-0.074939325	-0.17136903	-0.117666714	-0.083010085	-0.011327186	0.32980523	0.5152304	-0.87719476	-0.3923592	0.24445698	-0.2683672	-0.07952079	-0.7058204	-0.81255627	-0.6013035	-0.53905034	-0.37546057	-0.7726829	0.20509422	-0.26717234	0.40766242	0.5163873	-0.33013764	-0.15877445	0.75970775	0.8034278	0.07157496	-0.9425693	0.5201339	-0.37575108	-0.6218321	-0.5201712	-0.5125724	0.31201005	-0.9998966	-0.70784575	0.63246685	-0.17508999	-0.6350015	-0.15675586	-0.2911145	-0.58217645	0.4578175	-0.31041723	0.43628407	0.5316669	0.050348192	0.36322066	-0.43373537	0.42112416	0.6219573	0.9207818	-0.1769701	-0.88060874	0.976235	0.80481625	0.53015786	-0.15593047	0.8775648	0.23900518	-0.8674787	0.5596023	-0.97553754	-0.28010225	0.99866104	-0.7073052	0.2746305	0.47437105	0.4949987	-0.81343067	0.6356336	0.7015934	-0.9355312	-0.6168315	0.9966416	-0.7360026	0.77793944	0.5498008	-0.3658508	-0.9980574	-0.8999172	-0.25286528	-0.35250792	0.18550538	0.11374782	-0.49768105	0.7971289	-0.38372448	0.23552777	0.49818745	0.15523668	-0.5060002	0.12705319	0.5257031	0.014889781	0.025949653	-0.1795291	-0.9239718	0.8159506	-0.059356283	0.42471614	-0.9999371	0.14062902	0.39909378	0.23407729	0.3905182	0.31141475	0.3777832	0.6618454	-0.24962297	-0.87590146	-0.8922629	-0.33447447	-0.4219011	0.15605485	-0.4151708	-0.2150164	0.23424447	-0.2444578	-0.7523844	-0.72016907	-0.11504957	-0.23856448	0.10419605	0.37036863	0.47804847	-0.5492441	0.28547296	-0.63760424	0.45943546	0.2626315	0.36200795	0.42461643	-0.9488702	-0.1709351	0.8836515	-0.16599168	-0.36394656	-0.5612863	-0.41867566	0.9999719	-0.006285269	0.19218354	0.3954934	0.7102423	0.45999923	-0.15542251	-0.6232329	-0.3381706	0.33055273	0.71076834	0.33914578	0.22747594	0.3726477	0.05530866	0.85440665	0.77521235	0.41412586	1	-0.19542849	-0.73505753	-0.000140671	-0.083627686	-0.94648916	-0.3325031	-0.7053092	-0.23751357	0.24526097	-0.45250908	-0.27853483	0.460943	0.45071897	0.6674346	0.00809703	-0.45205912	0.2176656	0.5383499	0.19831412	-0.9953712	-0.06343525	0.123988606	0.8307705	0.44480053	0.52834076	-0.1847425	0.58720887	-0.31022063	0.08390562	0.29119512	-0.014555386	0.96542174	-0.5711841	-0.14531763	0.641737	0.27298924	0.20037371	0.64723283	0.7417746	0.75501	0.9999998	-0.23677483	-0.99359846	-0.03464485	0.9994179	-0.9378186	-0.32474607	-0.9998956	-0.6482327	0.50592256	0.5405059	0.032907315	-0.69429755	-0.36905333	0.17177102	0.27560863	-0.06444248	-0.70112	-0.3857583	-0.7086512	-0.7811193	-0.23448388	-0.9999934	-1	-0.9874907	0.36060122	-0.25313115	-0.22011355	-0.10612676	0.0783914	-0.796039	-0.48635602	-0.8027709	0.56443197	-0.7339566	0.12752566	-0.017521935	0.28924376	0.507815	0.4010461	-0.28058374	-0.80322266	-0.99996006	0.2012668	0.7594431	-0.30620503	-0.5148026	-0.09884239	-0.1622746	0.52149624	0.19992746	0.64220166	0.27696285	0.35711154	0.44271213	-0.95083445	-0.45094943	0.4697858	-0.50048256	-0.3637104	-0.51353186	0.8157028	-0.7201887	0.058327187	-0.59790206	-0.18187685	-0.9893389	0.12185324	-0.41191584	-0.32116488	-0.50926304	0.5245516	-0.3635492	0.9006647	-0.4941564	0.37601817	0.44435012	0.82751304	-0.1554599	0.7269474	-0.6281263	0.486801	0.22113323	0.9975962	0.6070293	-0.591239	-0.72869694	-0.33636647	-0.76539505	0.7625903	-0.9610818	-0.17016982	-0.42556152	0.8162846	0.8042883	-0.19128646
511	0	O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.08344109	0.44535708	-0.9153214	-0.31586456	0.73807997	-0.69107527	-0.56085324	-0.24770652	0.047710598	-0.527229	0.7263453	0.5507726	-0.5175451	0.8949376	-0.0321884	-0.9909234	-0.4576837	0.5653795	-0.39839575	-0.71044517	-0.20605463	0.30058882	0.6185131	-0.6230671	0.365699	0.62434655	0.5886799	0.6490331	0.9338298	-0.20452283	-0.34264448	0.7293186	-0.06904866	0.101983994	0.31520227	0.8513074	0.6427719	0.58653986	0.9995477	0.5897434	-0.7556957	0.0741477	0.19781555	-0.15941516	-0.38552877	-0.32270277	0.9216459	0.38580444	0.98980904	-0.25309867	-0.61895686	0.3717863	-0.25482035	-0.24760261	-0.6845718	-0.08886137	-0.80349594	-0.94892454	-0.7408776	-0.17262167	-0.0289281	0.068096444	-0.07562877	-0.50282216	-0.55342484	0.7482526	0.25288045	-0.6943395	-0.4420675	0.3872442	-0.60596544	-0.9193169	0.37468907	0.84357834	0.088286914	-0.5026529	0.7642946	-0.5830373	-0.5596527	-0.99968857	0.47063643	0.017447026	-0.8339163	-0.27639186	0.27459812	-0.17900585	0.053747687	-0.27848014	-0.018164353	0.27967694	0.4783179	0.69828784	0.17422894	-0.22898798	0.99617064	0.13682738	0.18278643	0.002926153	-0.6246266	-0.006528607	-0.16352265	-0.6421447	-0.21582966	-0.5246879	-0.9975951	-0.12576963	-0.082148954	0.48269504	0.9706403	-0.110179104	-0.71261126	-0.30481517	-0.9087435	-0.7348271	0.43097907	0.37340045	0.56368077	0.60302526	0.9950101	-0.78676504	0.5700968	0.19122879	-0.19495444	-0.51861405	0.27288705	0.4946772	-0.575847	-0.32766432	0.07518687	0.99879164	-0.5001732	-0.04336936	0.9115637	-0.609443	0.24771443	-0.9631849	0.58123064	0.36986232	-0.8394058	-0.7769188	0.99934804	-0.52684015	0.7115362	-0.20609497	0.51090074	0.030768365	0.8302708	0.019056339	-0.9633013	-0.097162075	-0.5190811	-0.63762105	-0.5288654	-0.82127374	-0.7927594	-0.3890055	0.47354367	-0.3660025	-0.9414062	-0.8762809	-0.5007171	-0.37678304	-0.6233146	-0.04662102	-0.027331112	0.4490681	-0.8183293	0.3700745	-0.5672407	-0.31366554	-0.82381237	-0.87313104	-0.15744896	0.6385039	-0.14954877	-0.9069856	-0.8338945	0.7575491	0.35839543	0.22787614	-0.5975823	-0.98922527	-0.51278394	-0.9589129	0.8716039	-0.57974285	0.68127996	0.66494566	-0.6294152	-0.9397633	0.04051482	0.74720097	0.78839713	-0.50900424	0.13565384	-0.20924342	0.6384319	-0.28109473	0.20688733	-0.42353716	-0.7358992	0.31884488	-0.31936547	-0.8325048	0.38684845	-0.14681393	0.6232415	0.72525907	-0.79341507	-0.9999135	-0.09002976	0.6728331	0.27816904	0.104977734	-0.68253416	0.43639812	0.033735838	-0.11256804	-0.25395557	-0.027425688	-0.00712322	0.06371858	0.15599969	0.40431646	-0.90968317	-0.39760327	0.40341398	-0.25440866	-0.113119386	-0.75835156	-0.81436145	-0.573906	-0.5955879	-0.29671398	-0.81321186	0.36279926	-0.29075038	0.4514913	0.48968428	-0.3898733	-0.23779649	0.86341816	0.8716342	0.2116172	-0.97398084	0.5339994	-0.42944196	-0.6207244	-0.6167356	-0.5146223	0.39816797	-0.9998222	-0.7413169	0.6094598	-0.22546333	-0.74552876	-0.26418585	-0.44645166	-0.64726	0.43721166	-0.3625097	0.45599884	0.524046	-0.044223696	0.42776093	-0.6185676	0.48889247	0.44015947	0.95789397	-0.06948108	-0.90950555	0.996117	0.80542725	0.6244248	-0.20656492	0.87653935	0.2243706	-0.9044329	0.54503804	-0.98975116	-0.30800727	0.9898699	-0.6417389	0.22018145	0.4648666	0.6169739	-0.8557296	0.86501586	0.30419213	-0.9581865	-0.7311832	0.90515786	-0.7754934	0.7079323	0.619827	-0.44444978	-0.9978925	-0.9755982	-0.13577116	-0.42870894	0.20965952	-0.07085693	-0.6019515	0.80935	-0.43002295	0.16673659	-0.9281667	0.286753	-0.34712794	0.1820027	0.5568322	-0.074739166	0.06728721	0.040273316	-0.8508779	0.872254	-0.2262176	0.40146226	-0.9998846	0.17759235	0.4653034	0.35593113	0.5875122	0.38474002	0.3104327	0.7745517	-0.20820448	-0.9082966	-0.9246516	-0.40272263	-0.61172193	0.23832177	-0.40757412	-0.18890776	0.23577054	0.5806809	-0.8347089	-0.79879534	-0.045983605	-0.10057909	-0.24328378	0.46717718	0.62871224	-0.79919076	0.21962875	-0.73075736	0.34899133	0.28454295	0.45378578	-0.67153186	-0.6326627	-0.23982465	0.8956271	-0.26747665	-0.26580572	-0.57151777	-0.38932103	0.9999739	-0.14485247	-0.08936378	0.422152	0.7644145	0.40046716	-0.2878891	-0.8455664	-0.33784902	0.4246531	0.78366846	0.42600796	0.22456276	0.3038196	0.21470064	0.8937148	0.39215958	0.3466969	1	-0.010606955	-0.7758516	-0.115583375	-0.12974195	-0.90889144	-0.35360855	-0.7343748	-0.14289193	0.1410962	-0.5284211	-0.4673513	0.5478876	0.5043301	0.7051697	-0.026883205	-0.49784204	0.36303642	0.5491435	0.3762843	-0.9988761	-0.31695217	-0.29461458	0.7749306	0.15981716	0.77689964	-0.2767956	0.550354	-0.3509686	0.030463418	0.07156473	0.15719134	0.9539306	-0.6252673	-0.13602431	0.6826921	0.19423102	0.108022876	0.6767721	0.77571476	0.8105897	0.99999946	-0.16580255	-0.9932919	0.020849593	0.9987348	-0.96337414	-0.34233367	-0.99989986	-0.58411455	0.23855458	0.4038398	0.17408842	-0.6527892	-0.39311972	0.22864543	-0.48900393	0.019283453	-0.6910912	-0.48747045	-0.6893429	-0.7847859	-0.119589634	-0.99998724	-1	-0.8688964	0.40345922	-0.13704114	-0.2897445	-0.091770485	-0.09441424	-0.6677906	-0.4290381	-0.84126437	0.70751685	-0.7336007	0.19186492	0.034052886	0.31115994	0.51294976	0.53248274	-0.46086097	0.48177123	-0.9998524	0.4066082	0.8243718	-0.24111372	-0.47778964	-0.030486928	-0.24389684	0.575953	0.14314164	0.6106726	0.3173327	0.31213367	0.48241395	-0.95639217	-0.5516535	-0.039987255	-0.53389907	-0.42186207	-0.58509386	0.8512071	-0.7242117	0.10374118	-0.6990325	-0.5208171	-0.9985508	0.16063383	-0.44716665	-0.23738384	-0.50921565	0.55146724	-0.40990084	0.9218778	-0.6156236	0.32774046	0.4557379	0.9931122	-0.2018936	0.80226254	-0.60124654	0.58427334	0.2886578	0.9954962	0.73280114	-0.67116624	-0.6565945	-0.3421691	-0.7916791	0.83811826	-0.99559504	-0.14125583	-0.1541839	0.922826	0.8439842	-0.24424848
512	1	O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	-0.25781238	0.5252377	-0.93446934	-0.20876734	0.7647007	-0.7281931	-0.54812557	-0.13065255	0.01744327	-0.6314893	0.70877534	0.6054322	-0.5910329	0.9154268	0.001729945	-0.9965755	-0.5264686	0.5960431	-0.39612532	-0.770387	-0.5192124	0.61046	0.71867293	-0.65780014	0.4689975	0.6993382	0.6173484	0.57107955	0.9592519	-0.20289102	-0.49361795	0.7092807	0.06650124	0.13622034	0.2962072	0.9050958	0.5668758	0.637935	0.99987894	0.750206	-0.22992173	-0.002901425	0.2666816	-0.30920494	-0.4398236	0.8103448	0.9239744	0.35185036	0.99298805	-0.37667122	-0.6634319	0.30887705	-0.207663	-0.3247959	-0.5636274	-0.19162586	-0.80173856	-0.9952622	-0.82553136	-0.22028047	-0.07112197	0.12796399	0.014918337	-0.5325914	-0.52525425	0.772522	0.20436634	-0.7609054	-0.44771296	0.45019227	-0.7791154	-0.4897287	0.32369155	0.8486074	0.29723877	-0.6384089	0.77633417	-0.6383418	-0.6194572	-0.9995234	0.5261381	0.0877304	-0.8832828	-0.25469592	0.36628774	-0.6695979	0.01229858	-0.21528843	0.0674193	0.35831863	0.5623167	0.70020026	0.24252824	-0.24047326	0.9955975	0.068997316	0.405429	-0.001070985	-0.67503995	0.100558974	-0.18325031	-0.60827005	-0.10842199	-0.4714038	-0.999827	0.13708915	-0.15548348	0.51623905	0.95812285	-0.15103476	-0.73586804	-0.34626856	-0.91631716	-0.70439583	0.5405941	0.503486	0.6049872	0.7528957	0.91554374	-0.80326134	0.6603833	0.15514621	-0.25139874	-0.45310277	0.4042414	0.52617836	-0.5975922	-0.33706433	0.102636695	0.9995457	-0.5399876	-0.13737558	0.93515724	-0.6254444	0.30782005	-0.965054	0.5639723	0.47015974	-0.865665	-0.8125685	0.9992875	-0.5042422	0.43582255	-0.25001293	0.44135654	-0.015286675	0.85388505	0.013988337	-0.9989129	-0.028031955	-0.54434603	-0.54821146	-0.38628525	-0.85961175	-0.8093664	-0.4861409	0.45955193	-0.98043126	-0.96958154	-0.80787915	0.63760686	-0.49897686	-0.64832234	0.003600999	0.147781	0.4663012	-0.82966286	0.37670898	-0.5491182	-0.28294745	-0.83047956	-0.90606093	-0.28093722	0.72946864	-0.3453306	-0.8801992	-0.8699914	0.81195396	0.4159048	0.33065385	-0.6885021	-0.9749879	-0.5607632	-0.96879864	0.9657528	-0.7098795	0.644195	0.70886564	-0.71275055	-0.9656474	-0.19847545	0.79455256	0.8122163	-0.50967467	0.1502173	-0.06879321	0.60786664	-0.4666169	0.20628041	-0.5080341	-0.7805436	0.27577877	-0.35493776	-0.85495275	0.4396999	-0.1798715	0.6006051	0.71594596	-0.80655396	-0.9999228	-0.2450481	0.7101845	0.3421505	0.26473582	-0.76224995	0.42755	-0.020034788	-0.1890575	-0.31264475	0.063759126	0.048196685	0.12677087	0.0280903	0.3443437	-0.9154834	-0.38191846	0.492063	-0.23708719	-0.1266867	-0.82316667	-0.80313605	-0.569649	-0.58846307	-0.19460045	-0.83215296	0.4603827	-0.31789345	0.49169183	0.48975286	-0.46687546	-0.30245557	0.9001553	0.9009085	0.28769922	-0.98453224	0.5125738	-0.46208903	-0.6210723	-0.69405895	-0.48047093	0.48270413	-0.9997037	-0.7612231	0.5979868	-0.21510808	-0.80206335	-0.34769753	-0.54321486	-0.7021097	0.41995823	-0.47553334	0.48678523	0.51597327	-0.11629654	0.47428483	-0.7091375	0.5317715	0.2548856	0.96727616	0.084306195	-0.9208871	0.9988413	0.82176065	0.66993904	-0.2472354	0.87829715	0.20253988	-0.9256281	0.5327102	-0.9948891	-0.35824156	0.85307324	-0.5565002	0.16331941	0.41248035	0.703708	-0.89531803	0.9490311	-0.08335117	-0.9686367	-0.80336386	-0.3272093	-0.80439085	0.63279593	0.6597156	-0.4764702	-0.9970611	-0.9912737	-0.05252156	-0.50427586	0.22432461	-0.2214087	-0.6623879	0.7980195	-0.46873724	0.08605022	-0.9972806	0.40538526	-0.116240986	0.18231007	0.5811632	-0.15663008	0.11720715	0.26889697	-0.7302407	0.90668976	-0.33740756	0.41949356	-0.99978656	0.20369259	0.5099807	0.46977672	0.68303746	0.3737184	0.23016381	0.8331058	-0.19308157	-0.92997456	-0.9415518	-0.46607533	-0.70142174	0.27468616	-0.34101003	-0.22085851	0.23177233	0.8994117	-0.88595283	-0.8498009	0.005297916	0.01584626	-0.4789303	0.5571684	0.7221608	-0.9006835	0.21132958	-0.78743136	0.23934545	0.35820073	0.5546563	-0.9548476	0.4734735	-0.28312513	0.8928225	-0.3861776	-0.19930269	-0.5733028	-0.3869508	0.99996376	-0.29039723	-0.39451134	0.40501067	0.77204394	0.36336026	-0.39836887	-0.93857557	-0.27492046	0.47855127	0.8259622	0.44900244	0.19855748	0.23903523	0.3243601	0.91055304	-0.08670617	0.3137071	1	0.14593211	-0.800705	-0.20989884	-0.14444348	-0.8521917	-0.36827418	-0.7445841	-0.03125975	0.088560045	-0.5731527	-0.57118046	0.57630026	0.5522505	0.7197354	-0.10129653	-0.5294991	0.46669748	0.5453978	0.4817419	-0.9994826	-0.48852384	-0.57056916	0.7040392	-0.09258115	0.8939694	-0.3384148	0.509042	-0.41848943	0.004446667	-0.12805161	0.2535	0.9447607	-0.65955967	-0.18094108	0.71432966	0.18435097	0.047635894	0.68984306	0.81104976	0.8514822	0.9999988	-0.03434815	-0.99352115	0.08875771	0.99734765	-0.9781713	-0.3474838	-0.99990726	-0.5181724	-0.04754524	0.24554527	0.2935819	-0.6155767	-0.4423071	0.2604431	-0.84926003	0.068042584	-0.65220964	-0.56320894	-0.64834845	-0.79874027	-0.006593905	-0.99992955	-0.9999998	-0.12773839	0.38980448	-0.022841359	-0.3613568	-0.069908	-0.2327457	-0.45310336	-0.32869372	-0.8567682	0.7771492	-0.7227001	0.2511484	0.09333127	0.36313653	0.52617353	0.6241841	-0.5691029	0.96055263	-0.998473	0.5429227	0.8563963	-0.14721934	-0.4212429	0.011840028	-0.27475873	0.5762262	0.099712215	0.59186625	0.33228168	0.28391957	0.5079621	-0.9530157	-0.5648377	-0.4120859	-0.554895	-0.4252167	-0.61838466	0.8657446	-0.73119664	0.15641616	-0.78175575	-0.6934957	-0.99975294	0.19890195	-0.5062107	-0.10134394	-0.49582464	0.5856363	-0.440192	0.93489623	-0.71265256	0.2965083	0.44829598	0.9990332	-0.23045242	0.8360712	-0.5605562	0.6311307	0.3404537	0.9911507	0.79518265	-0.7082856	-0.5549502	-0.3071142	-0.8124978	0.8751221	-0.99845606	-0.14473678	0.08797157	0.963659	0.88267833	-0.2549898
513	0	CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)[O-])C21	0.34132394	-0.4717711	-0.37222818	0.7346521	0.7528881	0.7726525	0.69757843	0.5956028	0.5586046	-0.09107619	-0.46509904	-0.43465635	-0.000644793	0.012488463	0.032378536	0.10453805	0.5968374	0.17210995	0.15149027	0.29102916	-0.31562006	-0.42243692	0.78679603	-0.4823051	-0.28972003	0.63156396	-0.56712794	-0.39683002	-0.09846411	0.5512569	0.26701638	-0.24184409	0.72318774	-0.23894274	0.611782	-0.046005346	0.2683524	0.5283842	0.99963737	0.7820429	0.96098375	-0.038970146	-0.27359214	-0.5316255	0.054570906	0.9174793	0.7801176	-0.3812533	0.88901055	-0.4310574	0.6873171	0.37632194	-0.52234757	-0.022430636	0.02112938	-0.16625369	0.80443156	-0.8953846	0.20157453	0.50634813	-0.7161892	0.04974483	-0.37864602	-0.4326706	0.67749834	-0.41278714	-0.4520812	-0.62863374	0.32052657	0.19597739	-0.96474904	-0.9780555	-0.65868926	0.89279366	-0.5641222	0.93872535	-0.6172866	0.08607546	-0.2486106	-0.9991885	-0.7450699	-0.10785507	-0.97731423	-0.670043	0.1720424	-0.43120775	0.3398539	-0.65038985	-0.016405953	0.1897115	-0.111677535	0.3657999	0.41184473	0.023478774	0.99965644	-0.07129485	-0.3699093	0.41445428	0.1475018	-0.5905746	0.5116377	0.5207071	-0.5600149	0.79732686	-0.9998627	-0.21167044	0.5808167	0.83351105	-0.99981153	-0.7651637	0.1230227	-0.50813115	-0.15136908	-0.51050574	0.055001367	0.44420418	0.14361168	-0.37706664	0.55974424	-0.33381823	-0.5307601	-0.39907527	-0.4010198	0.23173058	0.1488037	-0.3344351	0.3539043	-0.71225053	-0.118560255	0.990284	0.22269897	-0.112288505	-0.15337229	0.8782214	0.17257264	-0.7610309	-0.12024984	-0.36619106	0.08130403	-0.5508027	-0.99992275	0.014323312	-0.8192072	0.55618584	-0.062485516	-0.37272543	0.59131265	0.2894641	-0.99969906	0.2789738	0.109103926	-0.8199136	0.82742006	0.009233325	-0.100688174	-0.07367451	-0.5239421	-0.9941846	-0.77823204	0.15899272	0.20795926	-0.5640913	-0.74782825	-0.38430417	0.053402886	-0.20772393	-0.17189443	-0.7944189	-0.01585449	0.50936776	-0.410598	-0.21114208	0.28653038	-0.099848635	0.53180015	-0.80435455	0.67176646	-0.33504647	0.2826397	0.41848525	-0.001254869	-0.9990034	0.31028742	0.24152564	0.9879656	-0.2723528	-0.1775601	-0.051372975	0.2948518	0.12240248	-0.8611211	-0.17948613	-0.49602723	-0.6202279	-0.36660144	-0.50729024	0.56944835	0.089501746	-0.64126456	-0.79803914	0.01342191	0.2705181	0.877889	-0.61942774	0.13542043	-0.5306721	0.38284	-0.12149704	-0.36999732	-0.99989027	0.34563062	0.21119568	0.20398533	-0.3366236	-0.19905621	0.28044626	-0.26636645	0.5682882	-0.50569355	-0.18841569	-0.117027305	0.42676586	-0.39047515	0.0668961	0.9999496	-0.111902714	-0.4390652	-0.622567	0.35049272	0.79249525	0.11490657	-0.29636794	-0.35846174	0.35718387	0.12628794	0.050814763	0.6155865	0.08365135	-0.44228175	-0.7524928	0.004319361	0.90562737	0.35670364	0.42191446	-0.93343025	-0.71866757	-0.5099997	0.39670822	-0.1461491	-0.073772095	-0.6842421	-0.9778289	-0.37325284	0.5846336	-0.6460895	0.03595176	0.18331818	0.5719282	0.28120768	0.75610274	0.5052617	-0.4184197	-0.6772068	-0.08046789	-0.15888436	-0.2263267	-0.3565747	0.7962311	-0.4424092	0.52145946	-0.54619443	0.99997985	0.7789206	-0.14638042	-0.44638938	-0.47660032	0.41853386	-0.24963151	0.47018892	0.2060001	0.52769345	0.79660976	0.45207003	0.17999707	-0.3961636	0.51537853	-0.35715756	-0.2033798	-0.9951193	0.451378	-0.39532092	-0.76788616	-0.5570937	0.48309866	0.66834	0.7845346	0.9999001	-0.7711534	-0.10991817	0.20829368	-0.37837052	-0.46315688	-0.30823275	-0.13404068	-0.7391726	-0.9061295	-0.99954075	-0.16406028	0.09590121	-0.11781002	-0.2781534	0.046594266	0.28166798	-0.17203894	-0.93898857	0.39300197	-0.4557151	0.23074907	0.99739647	0.7390507	0.14060313	-0.47288987	0.69617313	-0.23852782	0.15789646	0.66794395	-0.3613193	0.18907605	-0.3095575	-0.39219514	0.17000663	-0.6490218	0.52331084	0.16381364	-0.33970618	-0.6209519	0.48292008	-0.4732922	-0.025407396	-0.44451496	-0.020789374	-0.34503648	0.7962071	-0.2005011	0.28192225	0.6720938	0.39425272	0.0972263	0.29163355	-0.9833651	0.4872196	0.39476135	0.4550424	-0.36390716	0.16188268	0.16002189	0.340955	0.999852	0.056558594	0.95198333	0.005787309	0.62151575	-0.060404763	0.56857747	-0.5308106	-0.6815565	-0.115970135	0.66234714	0.18663101	0.7314722	0.6656723	0.66872746	-0.4027979	-0.9037975	0.6703827	0.99726397	0.013614752	-0.3556922	0.38487786	0.4412293	0.15173917	0.28019863	0.47008166	-0.39396515	0.44954038	0.10241295	0.49439722	-0.6656675	0.5579096	-0.77878934	-0.5314255	0.5647999	-0.3536192	0.18216068	-0.054529846	-0.897273	-0.6131993	0.25029376	-0.41183126	0.82503694	0.99516696	-0.25078648	-0.5936964	-0.531648	-0.24602921	0.60104835	0.46299776	0.26561174	-0.89157695	0.12656985	-0.7769115	-0.7852212	0.35571295	0.02408428	0.64666414	-0.28677717	-0.6228325	-0.31627944	-0.9969632	-0.40217277	0.9974079	-0.45411268	0.6252423	-0.9568861	0.103785984	-0.6649217	-0.8043972	-0.49604118	-0.61723197	0.0700564	0.68449813	-0.3025031	0.5966844	-0.67702025	0.7240651	-0.54895186	0.4843584	0.9245674	-0.9988848	0.92666775	0.83384985	-0.43261352	0.25700697	0.7141548	-0.20377208	0.35819572	0.92426413	-0.4730985	-0.14559758	-0.22751683	-0.18955944	-0.045187175	0.2634558	0.3064719	-0.051447902	-0.22957982	-0.13821267	0.987184	-0.99254656	-0.3994414	0.14137612	-0.5676917	0.094856024	0.47878522	0.905662	0.8019528	-0.60000676	-0.53006464	0.35890034	0.4011641	-0.18755487	0.2731697	-0.04933216	-0.35227472	0.37994042	0.21947326	0.33722433	0.33830136	0.045638755	0.2274381	0.41754106	0.7340513	-0.9995379	-0.32945195	-0.35836074	0.042506702	0.41066113	-0.2933161	0.26037568	-0.75298303	-0.59252506	-0.70880413	-0.6442654	0.99983454	-0.103341974	-0.44809848	0.51014453	0.031323947	-0.022420092	0.9999781	-0.5148015	0.26420966	-0.4476422	0.24405879	-0.81874686	-0.39104363	-0.99985474	0.07865072	0.34928164	-0.4616638	0.72986966	-0.4550429
514	0	CC12C=CC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO	0.26989335	0.23130038	0.19820887	0.24915887	-0.15082791	0.55041456	0.49724522	-0.3593148	0.30559987	-0.16082214	-0.2386842	-0.5229949	0.29033285	0.26498088	-0.4048792	0.7541163	0.000265174	-0.050318737	0.6784795	0.13802452	-0.044497922	-0.09435581	-0.09944904	0.12566602	-0.37727833	0.23718598	0.7915665	-0.27173454	0.37356153	-0.3848388	-0.05236308	-0.37214214	0.12588675	-0.042617556	0.15741551	-0.25737718	-0.08996979	-0.4275613	0.9997037	0.43908814	0.6556059	-0.55234087	-0.17159842	0.20270663	-0.08681251	0.5402919	0.35880786	-0.60029393	0.894782	-0.67864776	-0.63383883	0.11194839	-0.47194126	0.22971764	-0.62903655	0.49721733	-0.22418007	-0.8215272	0.22086	-0.60048014	0.09361747	0.32775596	0.3516185	0.069521725	0.8088142	0.06365809	-0.5767998	-0.58463955	-0.006818044	0.8303431	-0.4028904	-0.98648053	0.22969332	0.8567487	-0.52846545	0.90697926	-0.067372166	-0.040054474	0.42371964	-0.9997016	-0.91306317	0.13509052	-0.48297694	-0.0397763	0.22877698	-0.3279011	0.368382	-0.20106408	0.025142783	0.35353747	-0.2315232	0.20842226	0.07040465	-0.21969864	0.9990861	-0.44226107	0.10384008	-0.12531532	-0.15532793	-0.7252935	-0.06977282	0.5491487	-0.3951181	0.8817578	-0.9996747	0.14611003	-0.5890303	0.64801306	-0.99844116	-0.048858345	-0.7936079	0.15200178	-0.32986274	-0.23098764	0.43287742	0.14446057	0.10318092	-0.46172315	0.9283005	0.11458254	0.36921746	-0.24072056	-0.35861436	-0.4525791	0.31638286	-0.5700411	-0.09576124	-0.5096237	0.20044835	0.9950114	0.10255384	-0.093520686	-0.002817098	0.40264747	0.49465388	-0.22808246	0.7869671	-0.49467883	-0.08921002	-0.76560026	-0.9999125	-0.23181905	-0.37499863	0.15210052	-0.4207802	-0.09234568	0.40228006	0.19776495	-0.99789965	0.58921075	0.36379945	-0.9197589	0.78012294	-0.3593177	0.08057346	-0.30772156	-0.38480908	-0.9395133	-0.7409508	-0.74937713	-0.57020956	-0.29641423	0.46048984	0.047016893	0.4974789	0.46669173	-0.40696877	-0.013556413	-0.24712256	0.3487877	-0.49847236	-0.15370019	0.34256065	-0.65641576	-0.26354924	-0.9628825	0.80156934	0.16589725	0.7196561	-0.48564458	0.13272968	-0.9930918	0.6790481	0.24130407	0.95505345	0.113965034	-0.84447324	-0.4286127	0.66759384	-0.24667658	-0.6944947	-0.08360976	-0.46774632	-0.5433489	-0.058271404	0.546962	-0.17635672	-0.009849829	-0.56408244	-0.48877415	-0.48515087	-0.04620748	0.41359022	-0.46814564	-0.16693614	0.5304536	0.04697497	-0.045298185	-0.61557317	-0.9999716	-0.69290173	0.4740786	-0.2851687	-0.60550576	-0.4811273	0.25471362	0.47109193	0.56123626	-0.34884283	0.33772993	-0.17027262	-0.26192588	-0.5407974	-0.6207762	0.9999864	0.577599	-0.19456479	-0.5618242	0.39084083	0.7675772	-0.27212012	-0.68391657	-0.6109687	-0.6013801	-0.45470893	0.023058955	-0.63720554	-0.06540682	-0.49271455	-0.294558	0.888489	0.56612855	0.45531198	-0.34733438	-0.92851645	0.5909246	0.07518613	0.28297207	-0.21280557	-0.464633	-0.36730307	-0.5292752	-0.050434794	-0.0859977	-0.005276885	-0.5604385	0.106676325	0.06574703	0.005899003	0.64739984	-0.688608	0.68612134	-0.35475513	-0.34610763	-0.07683981	0.543077	0.4229592	-0.37563884	-0.20297737	-0.11956859	-0.09152114	0.9997548	0.068893954	-0.37640598	0.32317552	0.6603456	0.49689707	-0.48090005	0.48204756	-0.57803	-0.36715552	0.9736227	-0.7690475	0.037406005	-0.19020359	-0.24783123	-0.7087269	-0.001654435	-0.97784483	0.03183953	-0.13402052	0.18250519	-0.6771971	0.38545585	0.7505582	0.64492905	0.99999714	-0.8416686	0.9196966	-0.25493535	0.39238492	-0.3409199	-0.16697767	-0.019986248	-0.86133546	-0.9709092	-0.9954848	-0.26377073	-0.55361384	0.124906644	-0.28687373	-0.49201438	0.4911783	-0.7549332	-0.87697196	0.71477014	-0.5242624	0.11366175	0.8589807	0.46442133	0.30637372	-0.1552655	0.47069484	0.23627523	-0.17414157	0.42980435	-0.38269603	0.31092325	-0.6242675	-0.17165057	0.15839648	-0.6364281	0.6224299	0.1476827	0.17023122	-0.6965666	0.37184334	0.5247189	0.66745776	-0.23179595	0.25544018	-0.24923928	0.8587474	-0.32184553	-0.1259099	0.7312842	0.37328082	-0.09312958	-0.11156901	-0.9665015	-0.2817161	-0.02782902	0.022363571	-0.3914655	0.06254111	0.45745453	-0.09971268	0.9985604	-0.43187243	0.65066624	-0.26453388	0.18841654	0.30363882	0.80028534	-0.78415006	0.09146374	0.42588946	0.8516996	0.58701557	-0.6811091	-0.06051865	-0.8796131	0.6868269	-0.539599	0.010574238	-0.9999588	0.49444643	-0.046002112	0.37027112	-0.5990234	-0.7397779	0.47248968	-0.13711023	0.20166904	-0.114935264	0.11958716	-0.30313867	-0.72840136	0.16401757	-0.85383654	0.22185485	-0.3299542	-0.6627921	-0.05129893	-0.2063411	-0.18976955	0.49360737	0.5826726	0.59923404	0.611578	0.9829507	0.55718774	-0.6534909	-0.24782448	0.34458506	-0.44540477	-0.15409018	-0.62434	0.091439985	-0.104227014	-0.049290825	-0.4871374	-0.29111123	0.13370167	-0.42812812	0.3665459	0.9203692	-0.21102436	-0.95641124	-0.075355895	0.9921646	0.33551958	0.43025666	-0.98601663	0.40202534	-0.38549444	-0.5974155	-0.005941823	0.3986574	-0.49848074	0.042103916	-0.26183295	-0.28376135	-0.17127906	0.41076782	0.14174032	-0.06312426	-0.28865072	-0.99988604	1	0.48845986	-0.6176762	0.6118285	0.974587	-0.55853605	-0.18219638	0.43805113	0.28812787	-0.46811518	-0.13995019	0.47576907	-0.35746598	0.52056295	0.45856354	-0.08992671	-0.5773987	-0.16277938	0.90430385	-0.99926126	-0.6260692	-0.13437128	-0.1981502	0.11797741	0.4476156	0.6614899	0.33438227	-0.50071806	0.5997258	-0.3666857	0.7615516	-0.2167759	-0.12615804	0.067057855	0.5838679	0.33343843	0.15129781	0.13504486	0.67394406	0.04062951	-0.09317842	0.114423305	0.48225254	-0.9956905	0.48305404	-0.1430413	0.40549082	-0.5218601	0.126731	-0.37092558	-0.9462943	-0.042045765	-0.7016741	-0.37349206	0.99889857	0.21214499	-0.36324134	-0.24176624	-0.08241191	0.37958068	0.9996714	-0.7619106	-0.32162514	-0.046836294	-0.35045412	-0.37037352	-0.2350565	-0.9997489	0.104051225	0.18561839	-0.31521454	0.9032153	-0.36251792
515	0	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1	0.9723105	0.631841	-0.5258822	0.15063736	0.046760395	-0.04341398	-0.48902705	-0.045962367	0.081278965	0.2080933	0.88150364	-0.096455805	0.004047474	0.72625834	0.32467076	-0.6883637	-0.2577221	0.47811878	-0.054307666	-0.75541556	0.24226153	0.51105493	0.27712968	0.21123508	-0.41323212	-0.1201889	0.61327696	-0.32882404	-0.61980826	-0.56290543	-0.69442254	-0.48398185	-0.47054243	-0.22379138	0.80131197	0.0594153	0.4714964	-0.16228586	0.9997945	0.57404965	0.23703118	0.5939046	0.19510174	0.27602425	-0.5374096	0.91425616	0.69034356	-0.16348562	0.25553215	0.38980886	-0.27237347	0.3200857	-0.8242532	-0.09098565	0.64840883	0.45510924	-0.6596327	-0.96327215	-0.46013	0.39705727	-0.52559966	0.3825658	-0.01551128	-0.69534606	-0.2810867	0.6370934	0.47197413	-0.8215842	-0.010616289	0.14357997	-0.9810148	-0.9976151	-0.10140756	-0.5372522	-0.8524791	0.31885326	-0.20394604	-0.46968415	0.66254884	-0.9995856	0.25195146	-0.054796103	-0.94572455	0.31084916	0.02897337	-0.08294722	0.8057975	0.23176405	-0.21645825	0.43014577	-0.3415126	-0.00708426	0.8226523	-0.44423726	0.99999565	-0.20740966	-0.84087855	-0.35172835	-0.43525392	-0.6372642	0.5021071	-0.82680154	0.30223128	0.8709558	-0.99963284	-0.9913867	0.6180781	-0.19893406	-0.9997818	0.72804856	-0.7042211	-0.02577554	-0.7825959	0.22309133	0.7369529	0.00175807	-0.02381179	0.6411902	0.82547754	-0.08873003	-0.7600945	0.037483767	-0.6713582	0.60562617	-0.51674694	-0.20948455	-0.78541374	-0.11367167	-0.28111035	0.9290022	0.5380934	-0.54895693	0.3238961	0.042080797	-0.61978483	-0.9749396	-0.4308568	-0.33777195	-0.670526	0.6516459	-0.99999386	-0.54638594	-0.9472765	0.3842426	0.19707297	-0.48550728	-0.093346976	0.26947972	-0.9991775	0.22873841	-0.3250259	0.86051106	-0.4083028	-0.27434593	-0.7154495	0.37531212	0.5367539	-0.9766776	-0.90709764	0.7933606	0.49277607	0.31966805	-0.057916217	0.39186606	-0.36569193	-0.36661354	-0.7148865	-0.3477041	-0.4648418	-0.03993219	0.5330032	0.5065242	0.11838423	0.060052007	0.4310866	-0.12806766	-0.2735211	-0.15701057	-0.7360696	0.30609474	0.050147463	-0.9998766	-0.29339126	-0.05989568	0.9474433	-0.2030314	0.6933524	0.030796958	0.52879536	-0.56618077	0.3086387	0.30404288	0.37287965	0.015272729	-0.50925326	0.5111296	-0.08587778	-0.8436818	-0.5712039	-0.26783454	0.63166946	-0.16290963	-0.33318666	-0.25502506	0.31559283	-0.04056247	0.9278199	0.35691103	0.5311471	-0.99994797	-0.42681852	0.45177603	-0.5969508	0.037317816	-0.4097846	0.42747357	-0.07023594	0.40185294	0.48663872	-0.16276477	0.57235396	-0.105681226	0.6140116	-0.3211069	-0.93087953	-0.6685588	-0.09461135	-0.298863	-0.64551324	-0.091357745	-0.5948877	0.3745336	-0.22319551	-0.6006262	-0.30809072	0.4084285	0.1046733	-0.12366107	0.23091234	0.03401885	0.85992724	0.19338915	0.03502014	0.16427687	-0.24221629	0.18146385	0.71720004	0.51035887	-0.07619171	0.371349	0.6663412	-0.9750411	-0.29654384	0.81067777	0.24266882	-0.7274762	-0.8543228	0.5494575	0.5900401	-0.23609759	0.11081281	-0.12762801	0.8864019	0.26070806	0.22751538	0.32095394	0.050971977	0.8419116	0.8058335	-0.02955428	0.5235546	0.99923027	0.37807792	0.19726813	0.7009514	-0.71245354	0.8412233	0.9265859	0.50725067	0.577508	-0.21588664	0.85361314	-0.84663963	-0.1792701	-0.14803962	-0.48565355	-0.42238632	-0.6959501	-0.9995919	-0.6879778	0.07289033	-0.38312715	-0.17267455	0.46056622	0.6551861	0.1142445	0.9999931	-0.28519198	0.09427219	-0.10380138	0.28318378	0.4925088	-0.6224506	0.7527694	0.64788127	0.830695	-0.99908835	-0.063470185	0.7518179	-0.09162893	0.49791956	0.00509747	0.44878453	0.21522853	-0.9812041	0.3798591	-0.094099455	0.13558508	0.97627884	0.6388234	0.48707053	0.5480832	-0.6358743	-0.7981061	0.7309035	0.5583433	0.03669172	-0.36048192	-0.6009123	-0.26385677	0.16367745	-0.38570303	0.18033706	-0.27300188	-0.4566731	-0.8988848	0.46278447	-0.6805123	-0.42377746	-0.105088376	0.15794295	0.778484	-0.51631945	0.25661254	0.45621735	-0.69079834	0.4160514	0.29193193	0.11822609	-0.9894714	0.46573845	0.54362655	-0.22577211	-0.54078484	-0.46674153	-0.6834425	-0.048975136	0.9997295	0.562524	0.59814805	-0.10913135	0.39827478	0.12541413	-0.22090298	0.17362867	-0.4299582	-0.2538468	-0.13829023	-0.08789391	-0.39910388	0.7042138	-0.37864733	0.44998989	-0.803732	-0.24058868	0.9805085	-0.026672563	0.017865518	-0.19089752	0.13791184	0.5536016	-0.054325797	-0.57567793	-0.3595488	0.38424492	0.6935553	0.07345082	0.066159554	-0.43353912	0.72982186	0.38745606	0.1950434	-0.025698984	0.31161883	0.1688468	-0.8004879	0.4269398	0.5585564	-0.54803354	0.77310425	0.9995903	-0.089885674	-0.6676535	-0.09657764	0.856332	0.07631744	0.5972471	0.61378163	0.4578152	-0.86757565	-0.5283379	-0.56554073	-0.19733874	0.3999547	0.26339027	-0.66266465	0.9128051	-0.24611707	-0.90328497	-0.4070579	0.99883425	-0.3067486	0.43228552	-0.9676957	-0.101835616	-0.91918916	0.01734972	0.5164983	0.14808172	0.49712387	0.588462	0.63227063	0.20863071	0.8389161	-0.020122431	0.29067945	-0.33008486	-0.26648942	-0.99982274	0.9977295	0.689522	0.20680985	-0.66427994	-0.373964	-0.12757114	0.29148668	-0.8551566	-0.9170256	-0.3286914	0.74604297	-0.68584013	-0.15595919	-0.48563194	0.5786731	0.46317768	0.6714319	-0.477742	0.95232135	-0.9954169	-0.1860774	0.824035	0.18214537	-0.86297065	-0.22871538	0.98285264	0.7721863	0.83341664	0.45758626	0.62199426	-0.14741924	-0.4622664	0.96559995	-0.009003559	0.6884131	0.19513744	-0.568101	0.26774517	0.4371691	-0.22950365	-0.72058314	-0.31172514	0.9126721	-0.86911577	-0.407121	0.15813354	-0.048893314	-0.47842273	0.3158075	-0.6803638	0.85120595	-0.49325293	0.23574723	0.63161826	0.99947923	-0.15094101	-0.52715284	-0.48076338	-0.47382805	-0.4526	0.99995327	-0.13864152	0.32985055	0.27487633	0.12564921	-0.49815488	0.24730565	-0.9992295	0.464483	-0.79257447	-0.5933952	-0.23909804	-0.22996219
516	0	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1	0.12725127	-0.21509865	-0.17184137	0.19986457	0.45106217	-0.72465014	-0.1678151	0.37893495	-0.29578695	-0.30528802	-0.7488802	-0.83951086	0.24331929	-0.58536774	0.35050395	-0.7029581	0.295959	0.30057707	0.33119434	0.57065445	0.1290919	-0.26580083	0.12395102	-0.20318241	-0.2852755	0.16944347	-0.2903164	-0.14019802	0.5459063	-0.5097926	0.54441893	0.31563473	-0.11867787	-0.28758666	-0.6154495	-0.6015621	0.743496	-0.5125525	0.9972439	-0.7527074	-0.79735607	-0.25570056	-0.22377554	0.6236023	0.12478968	-0.18254934	-0.52318406	0.46300814	0.82680744	0.2954498	0.14703152	0.034552157	0.6015768	0.023518892	0.04642816	0.10769523	0.106398195	-0.05311938	0.17404222	0.07454133	0.5461009	0.47906637	-0.44436625	0.45018154	-0.34770182	0.85935265	-0.5179821	-0.00862006	0.048605625	0.052662477	-0.8992386	-0.6953023	0.13169865	-0.49523926	0.14059983	-0.51893884	-0.08825939	-0.34650058	-0.75984293	-0.9995322	-0.19090869	0.4567099	-0.88473284	-0.74721706	-0.4281086	-0.90520823	0.06318091	0.47767895	-0.5571488	-0.07136084	0.17319113	0.23037244	-0.106170446	0.67244685	0.9984742	-0.4178995	-0.021361776	0.405922	0.43982401	-0.11897938	0.26284647	-0.2674469	0.4979929	0.96799785	-0.9857173	-0.7583634	0.41653946	0.07286557	0.9830938	0.7556161	0.7992979	0.2640862	-0.026057132	0.06598591	-0.22832586	0.49526522	0.54747707	0.8165888	0.98362696	0.26301357	-0.18621027	0.7796296	0.081229664	0.19530217	-0.7404511	-0.32044592	0.066087514	-0.006989998	0.14268917	0.9998389	-0.37740856	-0.090823874	0.26734447	-0.023044972	0.775777	-0.9941093	0.09993691	0.13363896	-0.11243634	-0.7648395	-0.99983555	-0.433945	0.8836314	-0.6411598	-0.6790603	0.17819335	0.41474164	-0.1457545	-0.8387574	-0.5390237	0.5922655	-0.68261206	0.08394896	-0.5452462	-0.25118655	-0.016792396	0.2447191	0.38502514	-0.75351954	-0.94351715	-0.68099385	-0.31433752	-0.7295121	0.7986231	0.85625213	0.39416057	-0.003790338	-0.5867023	-0.3802886	0.039190285	0.6097492	0.17433758	-0.74733037	0.15909874	-0.26150692	-0.6447503	-0.57150185	0.83066016	-0.43325734	-0.04653802	0.68027943	-0.6640042	-0.26804632	-0.065373376	0.15386796	0.6830772	0.2088068	0.3821086	-0.3657781	-0.40833494	-0.83298534	0.18074784	-0.31064662	-0.0196877	-0.25980413	-0.47350913	0.73621595	-0.71680456	-0.124611475	0.58095145	-0.58500427	-0.5216838	0.18952464	-0.20376912	-0.07059776	-0.12336831	0.15779552	-0.42177302	0.5103261	-0.9997598	0.45134053	0.29529926	-0.10110545	0.015623415	-0.15505245	-0.03498508	-0.41981962	-0.18770896	-0.1551491	-0.17665802	-0.2444161	0.22567622	0.1680622	-0.036959648	-0.9839924	-0.30650285	0.7121461	0.28003457	-0.36932778	-0.019810624	0.004869128	0.60506403	-0.31971404	0.4934217	0.2859449	-0.3003017	0.52240545	-0.7444347	-0.16447814	-0.27044624	0.7855694	0.27879596	0.6595811	-0.77324736	0.28495926	-0.10737186	0.5064764	-0.52295303	-0.115566134	-0.39598855	0.68998677	-0.9650928	0.24920128	-0.029506791	-0.23517695	-0.26861256	0.42887995	0.5347214	-0.14548369	-0.32766238	0.33480945	0.38070756	-0.6896104	0.39729947	0.5649699	-0.43905947	-0.65583384	-0.06248028	0.8162006	-0.21344349	0.5879072	0.9936379	-0.018419094	-0.28247765	-0.0558645	-0.14209448	0.2342841	-0.6169695	-0.7718257	0.36125875	0.7099732	0.9964741	-0.46157518	0.10156746	-0.50517577	0.3858187	0.44108483	0.92269146	0.94858205	0.23902695	-0.44785345	0.9376331	-0.4846175	-0.24466394	-0.17583877	-0.7275191	0.9999561	-0.9888631	0.16135818	0.8322201	0.15204749	0.20957586	-0.14783221	-0.16923067	0.33209473	-0.21283893	-0.9406425	0.26295033	0.7854786	-0.76549387	0.7257155	0.09422194	-0.26518926	-0.33453748	0.4875378	0.14936464	0.097097605	-0.92325807	-0.9999584	-0.23698504	-0.39166984	0.17724983	-0.23814143	-0.39533952	0.18641111	-0.58933055	-0.051537305	-0.91071385	0.8159168	0.63009244	-0.6449472	-0.15818857	-0.53506106	0.25348303	-0.15052576	0.67572445	0.32805774	0.47851145	-0.3539832	0.21280226	-0.27236065	-0.07765347	-0.064505376	0.075187914	-0.55431706	0.028932039	-0.64451474	0.6050105	-0.46906298	-0.7215929	-0.9539321	-0.19963951	0.003150776	0.00109291	-0.29771477	0.58434504	0.39663452	0.9995816	-0.30554733	-0.16301621	-0.88382083	-0.13174662	0.4012444	0.21617413	-0.69300824	-0.40640092	0.7729354	-0.3327651	0.2578537	0.667101	-0.559672	0.7459683	-0.6463816	-0.52590203	0.23621513	0.987861	0.42732817	-0.059760783	-0.1425782	-0.24629162	0.1390043	0.5378058	0.30110368	-0.6911151	0.12148579	0.008422692	-0.056426674	0.18696176	-0.5618934	0.3277545	-0.5418878	-0.27294555	0.40240985	-0.43372247	0.03757451	-0.67930835	-0.22162694	-0.58581364	-0.8176403	-0.5102734	0.32975146	-0.57199514	-0.4535731	0.31564173	-0.662198	0.19840261	-0.59604794	-0.3411039	0.20058505	0.03695497	0.42681298	-0.010645646	0.56399006	0.27004445	0.23259282	0.53531957	1	-0.11273262	-0.94460386	-0.012098243	0.99875027	-0.47683808	-0.7060587	-0.9999394	0.027521254	-0.9253484	-0.5166226	-0.22068796	0.21238478	0.16567937	-0.30389073	-0.39187437	0.66338444	0.6136815	-0.60366815	-0.5697796	0.4832416	0.5498383	-0.999976	0.9965154	-0.3881051	-0.15251094	0.24280904	-0.15112719	0.46676305	-0.18573034	0.18272386	-0.6214831	-0.41131678	0.80803525	-0.4428522	-0.049218733	-0.6058358	-0.07659587	-0.82587916	-0.21467121	-0.17246957	0.61741334	-0.9996145	0.13208474	-0.20497915	0.17881432	0.26875564	0.38182542	-0.9380699	-0.13087763	0.3126347	-0.49629873	0.050152592	-0.472445	0.5327237	0.95941985	-0.1655414	0.4701908	-0.55106014	0.48199517	-0.6320823	0.14297174	-0.64199513	-0.31697673	-0.5062241	-0.5649666	-0.8122199	0.75667256	-0.67646265	-0.1363296	-0.21236926	0.06865807	0.4300615	0.23253372	-0.42828125	-0.16506429	-0.055691376	0.995637	-0.32518205	-0.25563204	-0.35023916	0.097571224	-0.2590786	0.99994206	0.8513332	-0.14961594	-0.008637579	0.35709757	0.28488493	0.34466043	-0.99539137	-0.5884793	0.63991463	0.49783033	-0.037581205	-0.26652846
517	0	CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O	0.6664272	-0.5001691	0.4837616	-0.2622485	0.5432892	-0.76277775	-0.3885901	-0.15601851	-0.108313344	-0.69035614	-0.36125422	-0.53547364	-0.24664214	0.07225505	0.79190105	-0.7233356	-0.2889053	-0.3322253	0.3599828	-0.06415124	0.5312623	-0.055120714	0.5224123	-0.04154794	0.28992674	0.39045745	-0.02056475	-0.14670947	0.3872225	-0.18529205	0.03330063	0.13134786	0.08422316	-0.26673856	0.5419395	-0.2278192	-0.4644091	-0.19489032	0.99141073	-0.55556273	-0.9860852	-0.19736998	-0.67079705	0.6016225	0.6576487	-0.92438054	-0.4645938	0.21927741	0.7882295	-0.014177552	-0.44377038	0.29470474	-0.12066315	-0.13920479	-0.5392477	0.6734759	-0.62775016	0.058360584	0.16079482	0.51750624	0.5268366	-0.11811986	0.5478187	0.44853282	-0.27437335	0.84230757	0.5643306	0.09006388	-0.34471422	-0.5157512	-0.6282516	-0.92858523	0.2785617	0.16135383	0.32307425	-0.10995058	0.4032017	0.16273913	-0.32839462	-0.99965876	-0.6611743	0.17452018	-0.8392047	0.15545924	0.2049616	-0.57874125	0.4306916	-0.08709185	-0.23488855	-0.63194096	-0.41630414	0.06938605	0.5276435	-0.11170332	0.9867626	-0.02568523	0.48312843	0.25243682	0.38917816	0.55641454	0.36775744	-0.16147877	0.9007973	0.71133226	-0.8903548	-0.12037308	-0.3507372	0.32693535	0.9533786	-0.19301821	-0.34259838	0.2686172	0.736088	-0.13288206	-0.22434227	0.010395141	0.48490256	-0.606103	0.99846923	-0.4639078	0.22565328	-0.19216384	-0.051818237	-0.11651244	-0.05442156	-0.48771372	0.7036279	0.7472378	-0.38718465	0.9993265	0.15669581	-0.49515215	-0.043818034	-0.14695954	0.09274588	-0.977009	0.5600106	0.84695166	-0.13116494	-0.769748	-0.99999356	0.3313219	0.92144585	0.28811368	-0.82895154	0.2125325	0.60874397	-0.6826003	0.18155153	0.20526077	0.23841059	-0.46154317	-0.5191159	0.17472023	-0.51636696	0.33124438	0.14705355	0.90888286	-0.81504226	-0.81145555	-0.95418394	-0.70018166	0.39265698	0.5989695	0.70861346	0.45651582	0.4861533	-0.27793264	-0.8052274	-0.42631358	-0.47859257	0.22239041	-0.51187533	-0.5389979	0.08106086	-0.9420132	-0.09144784	0.06168152	0.58557034	-0.10257915	0.22176068	-0.90596664	-0.027702061	-0.30598092	-0.19241627	0.01737318	0.40541205	-0.0370335	0.2005805	-0.7168487	-0.48629948	-0.30388469	0.8050916	-0.7407178	-0.3374893	-0.062742025	-0.50125706	-0.8584168	-0.34536892	-0.11557822	0.17985332	0.06784898	0.4129082	-0.5856894	-0.1915881	-0.5061213	-0.097447105	0.6706101	0.75522804	-0.9997454	-0.53483284	0.70974165	-0.08046649	-0.9155383	0.26012683	0.10985723	0.54229844	-0.21310316	-0.48958388	-0.11557644	0.084951885	-0.41766825	-0.44823495	-0.2968401	-0.9302545	0.00392024	0.17548804	0.7543392	0.15688394	-0.35564172	-0.06066869	0.26526177	-0.18489514	-0.30343464	-0.055129502	-0.8702989	0.3407615	-0.12957212	-0.0167843	-0.12334017	0.7538409	0.5112924	-0.4016911	-0.5388411	-0.45750016	0.612272	-0.03644767	-0.3032832	-0.49745926	-0.767034	0.28496867	-0.74556696	-0.23833795	-0.07321307	-0.19574513	-0.5157798	0.073557936	0.7780057	0.27324134	-0.20375101	-0.46910027	0.21922524	-0.267484	-0.34418306	0.27250698	0.33745936	0.23392925	-0.2924453	0.73218745	0.021514751	-0.2467745	0.9843157	-0.46188217	0.50042784	-0.2590198	0.6926004	0.31614074	-0.8242807	-0.74785703	-0.28452772	0.41622114	0.9993523	-0.09742291	-0.013491251	0.51081854	-0.55083245	-0.41259924	0.8068611	0.91174656	-0.08502436	-0.4201943	0.99239755	0.0834659	0.5551551	-0.42563492	-0.0832419	0.99999946	-0.9758681	0.27463996	-0.086996354	-0.20194444	-0.204177	0.3023928	0.45913413	-0.58272415	-0.20289978	-0.012000199	-0.00308221	0.08622103	-0.6306464	0.28249416	0.23175097	0.42301196	-0.13865897	0.044649158	-0.6054578	-0.0854409	0.4414825	-0.9999172	-0.007328827	-0.3631828	0.5907567	0.36080068	-0.12654944	-0.003910252	-0.021126535	-0.61992157	-0.7978643	-0.24187401	0.3908699	-0.34214246	-0.6978444	0.047528643	-0.7137378	0.74644005	0.032088317	-0.6229629	0.22429885	0.14886126	-0.119860075	-0.634176	-0.68451923	0.48508492	-0.048388466	-0.38512853	-0.11907701	-0.73939776	-0.2391753	-0.10378435	-0.30018765	-0.9808583	-0.13899049	0.114818096	-0.38336182	0.49275696	0.13145795	0.18109171	0.9997087	-0.5870404	-0.5537133	0.24379884	0.12551962	0.1692917	-0.040584214	-0.8137532	0.7516054	0.55164343	0.6520887	0.10306058	-0.48664755	-0.44669282	-0.19509345	0.7050375	0.34389028	-0.34477192	-0.99351126	0.34281272	-0.066104025	0.09738199	-0.05311988	-0.73988026	0.20108327	-0.2767988	-0.17232478	0.12601739	-0.08581988	-0.113791026	0.6789314	0.21226738	-0.4764572	0.24413945	-0.08810785	-0.54565847	0.11981331	0.6846943	0.17628084	0.46987978	-0.13375664	0.66890883	0.104133755	0.06083695	0.24358363	-0.30442724	0.31379068	0.4030687	0.16066018	-0.7745441	0.038170274	-0.46133474	-0.36231503	0.30795106	-0.33318105	-0.29806072	0.35071722	-0.05016246	0.36587492	0.9999994	0.04406569	-0.972493	0.72448015	0.9998767	-0.17978406	-0.50832504	-0.9997964	-0.109122835	0.12670037	0.54813653	0.31233296	-0.09002647	-0.12934421	-0.51294136	-0.41658962	-0.07010177	-0.16226754	0.5903213	-0.24375029	-0.11592056	0.21087292	-0.99999404	0.99999976	-0.88984007	-0.22158056	-0.28482845	0.6497029	-0.55026275	-0.2865409	-0.8823821	-0.32437363	-0.7242247	0.6041536	-0.39720887	0.31340504	-0.15316144	0.44910058	-0.4529819	-0.24129282	0.083749905	-0.449191	-0.99996257	0.122134365	0.0665852	0.3362961	0.29434848	-0.66014504	-0.8975173	-0.45785242	0.69020224	0.20652176	0.55297744	0.63350475	0.20378082	0.570225	-0.05820187	0.8378676	0.057579048	0.43885317	-0.46503362	0.16801073	0.31386298	0.39919895	-0.61825085	-0.71879125	-0.5694866	-0.25719005	-0.26480025	0.3783735	-0.38947734	-0.1292595	-0.3955372	-0.13580537	0.18818545	-0.36077642	0.39870575	0.9128446	0.34602636	-0.021758305	-0.7749742	-0.7067912	-0.14677536	0.9997711	0.41574085	0.66817963	-0.21083938	0.1514175	0.19464539	0.38399932	-0.97816694	-0.4772078	0.3949349	0.48017523	0.6728799	0.0781252
518	0	CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]	-0.064498745	0.30323893	0.12033387	-0.38177982	0.32380185	-0.7442142	-0.50862175	0.47857544	0.6426764	0.30975232	-0.33674178	-0.18959837	-0.5441324	0.5527498	-0.004614651	-0.7754389	0.41776896	-0.10004343	-0.044935495	-0.059031524	0.2909274	0.4642352	0.6007114	0.7317441	-0.110987626	-0.10100084	-0.066213585	0.14786962	-0.31703624	-0.762337	0.5289667	0.42237487	-0.741083	0.69097865	-0.5234661	-0.6194593	-0.23513657	0.22050431	0.9991539	0.24258181	-0.7866146	0.08506618	-0.1345849	0.0940011	-0.7589704	-0.30909947	0.30189353	0.25639084	0.6742206	0.13902281	0.3656627	0.17586528	-0.30981705	-0.1568707	-0.5558212	-0.06767116	-0.2703091	-0.8021322	-0.19760638	0.2950443	0.25958684	0.73885536	0.05815751	-0.25276396	0.55532336	0.8803845	0.62267363	0.07481399	-0.23279221	-0.21410802	-0.933444	-0.8337368	0.25392312	-0.721877	-0.34902498	-0.6376061	-0.029866861	-0.08108233	0.07853086	-0.9991041	0.55880296	-0.30060974	-0.9219533	-0.5502235	-0.28069788	-0.7484853	-0.022798885	0.45115963	-0.70396185	0.2955498	-0.04618941	-0.0938143	0.17702858	0.38999417	0.9998824	-0.34740824	-0.001495148	-0.15558338	-0.08572137	-0.3146282	0.18730117	-0.45389262	0.0049187	-0.79978573	-0.99450123	-0.79283136	-0.08013929	-0.39603424	-0.96818364	-0.11446511	0.31529215	-0.051769648	-0.5633334	-0.31321287	0.2340708	-0.27375877	0.09599681	0.027593978	0.99389225	-0.7118993	0.63499707	0.10009048	-0.021750141	-0.5843794	-0.69612336	0.1327848	-0.5629963	0.24313232	0.4501478	0.99944603	-0.13884135	0.6333047	0.13617693	0.5439461	-0.6504916	-0.91312516	0.83839947	0.6122913	-0.9138907	-0.52279776	-0.99865896	0.23913312	-0.018726734	-0.4069973	-0.5555497	-0.5155071	-0.54745215	0.16859932	-0.8688015	-0.20257166	-0.5581256	-0.13840958	-0.5518515	-0.72208476	-0.58802015	-0.019360585	-0.035837945	-0.400083	-0.9742958	-0.4461298	-0.5900426	-0.24998887	0.2910647	0.54652596	0.1927213	0.5804833	-0.35879445	-0.37441385	0.2230074	0.38569328	-0.08915259	0.2795257	-0.19371621	0.17953272	0.5031228	-0.3916376	-0.87543774	0.5648371	-0.37291414	0.26837954	0.14447781	-0.99897724	-0.58509636	-0.58813107	0.9028494	0.23288558	0.3549226	0.20691836	-0.8936767	-0.7940878	0.77000564	0.84815276	-0.102387674	-0.38798204	-0.54814565	0.35583192	0.6967628	0.9475022	-0.46770442	0.67836446	-0.21736945	0.66506195	0.3638303	-0.21437505	-0.7680973	-0.92215115	-0.17659938	0.048686367	-0.03993352	-0.99938446	0.33100942	0.20324849	0.073448166	0.2258106	-0.021589275	0.45762864	0.43845484	-0.52082866	-0.20888735	-0.70197386	0.11121302	-0.9290752	-0.21996363	0.68414325	0.9956164	-0.078559764	0.70925987	0.5478065	0.15764165	-0.69085896	0.48682848	0.82134056	0.07636692	0.66247255	-0.6399127	0.5143254	-0.41062644	-0.52404654	0.030768592	-0.11805115	0.44909963	0.5841753	0.6804566	0.30107167	-0.4452282	-0.1040439	-0.7215624	-0.039509505	0.22266868	-0.058709573	-0.7107772	-0.9985181	-0.21333858	0.051317886	-0.19247013	-0.59427524	-0.00918159	-0.83715326	-0.27372327	-0.52038735	-0.637178	0.3478434	-0.61295766	0.5037176	0.8507672	-0.17101248	0.34514448	-0.113907255	-0.5568466	0.19216986	0.43938124	0.98202306	0.3303856	0.20039742	-0.20804092	-0.55487585	-0.21350373	-0.09376654	-0.8281299	-0.44281286	-0.2964037	0.989363	-0.5853855	-0.38423133	0.38156742	0.4026228	-0.6043793	0.7536523	0.014419752	-0.5124158	0.45168945	0.79100585	-0.42339313	0.98156047	-0.5487352	-0.41098788	0.9993567	-0.9728096	-0.8133214	-0.007250567	0.3298569	0.9321736	-0.8867584	-0.16112311	-0.47591895	-0.30550027	-0.94615406	0.1873696	-0.5701416	-0.24792615	0.7687463	0.20298909	-0.3224496	-0.11443853	-0.95429045	0.71362215	0.3990392	-0.10390331	-0.9571901	-0.23646899	-0.17528588	-0.21737102	0.45973414	-0.88005173	-0.21892723	-0.68032604	0.4065568	-0.8903929	-0.5358577	-0.20539647	-0.045157105	-0.7001315	-0.12534617	-0.77733696	-0.7343761	0.10488884	-0.12357893	0.32824114	0.29662833	0.8056755	-0.44290152	0.8451109	-0.38505015	-0.5139384	-0.20159584	-0.5393194	0.61104167	-0.23472025	0.45359713	-0.8339086	-0.75885373	-0.07078015	-0.14089806	0.1146204	-0.532316	0.5589466	0.40835	0.9997193	0.321177	0.27537253	-0.050206006	-0.6253986	-0.47124615	-0.48787847	-0.5819255	0.3629928	-0.40099573	0.2987824	-0.24459706	0.08092515	-0.5651236	-0.08050202	0.6953965	-0.3877715	-0.14771472	1	-0.10775729	-0.35611814	-0.40186825	0.6301238	0.18385476	-0.19980721	-0.65891993	0.006167277	0.56544393	-0.4772076	-0.45160627	-0.36897495	-0.8161469	0.6785739	0.029286517	-0.8621234	0.32943612	-0.07637647	-0.26406398	-0.9349226	0.6381896	-0.78033847	0.8840136	0.22938938	0.9664586	-0.1990049	-0.6472358	-0.27557537	0.033241883	-0.3943922	0.17217293	0.9958259	0.2723292	-0.37213475	0.7635133	0.5892644	-0.51986396	0.7466824	0.2700016	0.17651317	0.9999501	-0.45846254	-0.9559215	-0.13299108	0.9995915	-0.6959092	-0.8525209	-0.99926335	-0.68251383	-0.089549966	0.89480823	-0.03266352	-0.09008567	-0.09960779	-0.34241766	-0.6426974	0.13053204	-0.16691525	-0.71395785	-0.57270956	0.20289443	-0.12548496	-0.99993664	-0.9968381	-0.80433	0.81807077	-0.028333345	-0.48710418	-0.5144094	-0.5957664	-0.8520067	-0.711912	-0.16314563	0.60471696	-0.88456225	0.7722859	-0.2884544	-0.47356611	-0.051708687	-0.33856827	0.15285267	0.7711521	-0.9998416	-0.5210274	0.24997672	-0.41206127	-0.44520164	0.5875567	0.5736148	0.76046294	0.62154955	-0.74818677	-0.5276633	0.32625684	0.66542065	0.95808005	0.6505194	-0.22502951	0.15345582	0.35309568	-0.6675429	0.56460845	0.26068535	-0.40881363	-0.31985548	0.35998183	-0.5603441	0.62406033	-0.7142858	0.04769753	-0.60015416	0.09061981	-0.103243016	0.7959245	-0.39933395	0.2663546	0.13120666	0.9873332	0.059714492	0.2877116	-0.49143597	0.5774165	-0.6704303	0.99888706	0.77010196	-0.4051924	-0.8074877	0.7069161	-0.8311132	-0.12707095	-0.99028844	-0.5641927	-0.66328824	0.5600735	0.42176405	-0.021291193
519	1	CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C	0.15353459	-0.13432132	-0.38616157	-0.10287034	-0.36641875	0.23766363	0.43290913	0.16191845	-0.07442816	0.32805178	-0.29896554	0.02816084	-0.30740345	0.27639943	0.2854413	0.08729365	0.1665417	-0.74853796	-0.123070344	-0.4403608	-0.079947285	-0.31951433	-0.76571965	0.2588594	0.099539064	0.5058948	-0.24878418	-0.35747266	-0.2223565	0.031609993	-0.72988135	0.06320333	0.6921852	-0.036404535	-0.03826513	-0.17248137	0.21105146	-0.30488685	0.9990095	-0.20427151	-0.65676063	-0.42523366	0.41920677	0.03404075	0.3206366	-0.34907985	0.7000488	-0.07770436	0.995072	-0.64015204	-0.11360735	0.5890995	-0.6610825	0.007557675	-0.8188248	-0.3505341	0.12243691	-0.050150532	0.40221035	-0.6037051	-0.23856598	0.090920374	0.71565664	0.45999658	0.6947008	-0.20391996	0.17165245	-0.27427974	0.23830432	0.850727	0.54442215	-0.5528734	-0.37303182	0.8831408	0.2809309	0.8926073	-0.6974394	-0.3721614	0.6484594	-0.9999479	-0.21618372	-0.17498273	-0.7352816	-0.5602147	-0.20370063	-0.9108704	0.4342407	-0.42698067	-0.49412286	0.4172532	-0.46226916	0.6690441	0.13801505	0.23066546	0.99024695	-0.47182044	0.77449626	0.011226529	-0.17433956	-0.5864418	-0.14914113	0.48108643	0.18027383	0.8855145	-0.99714005	0.51936287	-0.40818715	0.09754225	0.96200264	-0.10557769	-0.316414	-0.09617231	0.3690608	-0.7010625	0.29011843	-0.063063756	-0.1725122	0.6424231	0.9770114	0.30921495	-0.119350284	-0.029447308	0.26192492	-0.07335299	0.32855356	-0.3585178	0.26045102	-0.037684835	0.12359665	0.99992955	-0.1663818	0.11543332	0.56234694	0.23901735	-0.15642957	-0.9785406	0.4889645	0.16712956	0.25023255	-0.6593058	-0.9995992	-0.2673596	0.7449962	-0.17798446	0.2799727	-0.06374252	-0.5120784	0.38359225	-0.978818	0.7030065	0.050637398	-0.9043253	0.888624	0.54523796	0.11402121	-0.5966434	-0.74001366	-0.5035019	-0.47288147	-0.9408467	-0.82245404	0.3681001	0.39210227	-0.08808365	0.29031524	0.5602307	0.2992228	-0.26814413	-0.21884489	0.1457032	-0.70408684	-0.11110178	0.05612267	-0.755909	-0.25650063	-0.9857005	0.81608564	0.38816825	0.44500175	-0.33820254	-0.5157294	-0.7908857	0.6144647	-0.112767085	0.21420474	0.019869732	-0.06034243	-0.4988415	0.37655386	0.3679961	-0.8659409	0.31144252	-0.32307595	-0.30608582	0.25986817	0.30955383	-0.6838756	-0.877174	0.56629187	-0.17967339	-0.111220345	0.0887916	-0.1488658	-0.37735146	-0.22870798	0.4286878	0.12848718	-0.79936177	0.59213597	-0.99992824	-0.012565453	-0.30259794	-0.124012105	-0.54608625	-0.31347674	-0.20472285	0.47101852	0.25483033	0.014351547	-0.7567598	-0.43629357	0.54796547	-0.8246535	-0.25650698	-0.9195157	0.26105812	-0.24240945	0.27851257	-0.5786709	0.19779219	0.15271634	-0.65427	0.18280634	-0.14766839	-0.47079432	0.16585979	-0.444245	-0.17818992	0.1614828	0.20347297	0.903433	0.17166287	0.8450936	-0.244857	-0.862699	0.091049924	-0.6657137	-0.2969112	-0.1411567	-0.82117784	-0.049498625	-0.4293344	0.41583472	0.5600519	-0.14999582	-0.2690326	0.09768124	-0.2124734	-0.56006914	0.1064091	-0.44360015	-0.09254031	-0.17399849	-0.68279123	0.75690037	0.29256403	0.110518366	-0.62491035	0.9640888	0.30969405	0.11728437	0.997396	0.28793496	-0.22723679	-0.57892895	-0.48880348	-0.15593758	-0.91132146	0.51180565	-0.54545367	0.3619533	0.9960242	0.07144963	-0.11817267	0.3377786	-0.16201265	0.3002124	0.92930675	0.25907803	0.30156636	0.15276174	0.8262126	-0.014588642	0.30729356	0.5522651	0.67277086	0.99999344	-0.9963192	0.8828965	-0.28842315	0.27295253	-0.33846295	-0.17879327	-0.66295063	-0.8352231	-0.9884783	-0.95901877	-0.53572196	-0.3460062	0.5203979	0.7180249	-0.2995685	-0.4204509	-0.6038259	0.19991498	0.59112304	0.48655742	-0.13742113	-0.99985975	0.06153843	0.3544113	-0.047272593	0.21269043	-0.5642084	-0.31482998	-0.013115799	0.16727452	-0.87109643	0.149549	0.2734561	0.08492958	-0.505199	0.8168822	-0.017744591	0.09941391	0.7807588	0.053632773	-0.105737865	0.4081058	0.6261637	0.69533825	-0.19462162	0.89474994	-0.28814834	-0.13017991	0.8336603	0.028727015	-0.5938126	0.44856358	-0.83310634	-0.9137975	0.12231618	0.14183213	-0.43846175	0.108283855	0.061305717	-0.4135153	0.99859524	-0.15759459	0.005653543	0.029864138	-0.09758203	0.34446973	0.5390167	-0.9068031	0.64054185	0.09762821	0.5315282	0.30538893	0.03427685	-0.76291263	-0.1411044	0.5299637	0.21203524	0.0992257	-0.99996114	0.47943375	0.22961242	0.28425747	-0.4240817	-0.5686275	-0.4085445	-0.20627004	-0.41126728	0.42943114	0.27864859	0.35593522	-0.3923232	0.045145303	-0.8801082	0.63193095	-0.080352865	-0.3717829	-0.050372414	-0.038916655	0.48869342	0.07021454	-0.010153189	0.6860621	0.004748436	0.3447047	0.07276902	-0.70008147	-0.30844912	0.21076308	-0.69595593	-0.69439435	-0.48378986	-0.2617171	-0.037829496	0.41957518	-0.4846686	-0.13028334	-0.20337923	-0.021397132	0.32612082	0.99999905	0.6746159	-0.9626928	-0.26653823	0.99783206	0.07543025	0.15347718	-0.99990207	0.7070339	-0.3835677	-0.29511052	0.40001523	0.08647875	0.42958826	-0.35041812	-0.80866235	-0.44257665	0.30162093	0.5483807	0.6511212	0.42929015	0.06942496	-0.9999479	1	-0.12799162	-0.21328585	-0.092508785	0.7634148	-0.07438283	0.06555892	0.8430927	0.3152418	-0.57224214	-0.22311842	-0.026866468	0.055049896	0.4783264	-0.67136496	0.2299321	-0.27370474	-0.29625615	0.6369799	-0.99966866	-0.68038887	-0.3174802	0.49788296	0.52238244	0.23905778	-0.9191656	-0.22598544	-0.17305247	0.24885853	-0.18766236	0.75715184	0.28499818	0.20944712	-0.17568383	0.77472013	0.7131872	-0.37704384	0.25529674	0.2558315	0.45712924	0.11632536	-0.31619608	-0.7246859	-0.98037	0.09082187	-0.005507858	0.6311139	-0.3670339	-0.043556653	0.35679856	-0.9789061	0.11260708	-0.39357576	-0.032386925	0.9964993	0.5821781	0.29097337	-0.65781206	0.16020164	0.71265036	0.99996525	-0.049714103	-0.45380354	-0.06572798	0.020935286	-0.36114588	-0.360783	-0.9988241	0.517543	-0.16912074	0.47446623	0.8907758	-0.11795626
520	0	CCC(=O)[C-]1C(=O)CC(C(=O)[O-])CC1=O	0.83338636	0.5032509	-0.8149795	-0.2225917	0.47490692	0.71747655	0.5054786	-0.4084261	0.43657428	-0.008805633	0.020531878	-0.7519316	-0.063746914	0.34412894	0.66421556	0.5986381	-0.5108197	-0.19311427	-0.6538461	0.29514435	0.5437723	-0.6061844	0.13005987	-0.020506337	-0.10514951	-0.08747152	0.2125644	0.5290674	-0.55626744	-0.4925187	-0.63712	-0.4633412	0.006587602	0.09007443	-0.029196743	-0.79410326	-0.079607666	-0.62990475	0.95266604	0.60030246	-0.87642187	-0.13320309	-0.46144786	-0.015765008	-0.13236137	-0.97765017	0.9283531	0.13722391	0.99724895	0.3786925	-0.38353086	0.64607906	0.36927283	0.42779222	-0.23441523	-0.2879831	-0.22511739	0.56335473	-0.26680523	-0.32872698	-0.7705397	0.058435388	-0.31458274	-0.52845484	-0.01936337	0.4415815	0.42083955	-0.67287177	0.2331979	-0.21188624	0.4755971	-0.9999192	0.55845666	0.8025474	-0.7394088	0.86444795	-0.22529961	0.7999384	0.32906827	-0.9999934	0.007639751	-0.90475225	-0.9357435	-0.049887624	-0.4691015	0.97775245	0.5736035	-0.8211607	-0.2116775	-0.061055996	-0.5055517	0.6454782	-0.8161373	0.3086251	0.99739176	0.440994	-0.91801083	-0.4636625	0.09511878	-0.39557022	-0.17181009	-0.33621898	0.18706192	-0.23264478	-0.4729446	-0.5301136	0.49387616	-0.20499979	0.9678902	0.07439592	0.27232048	0.13937409	-0.070426345	-0.5706198	-0.33101398	-0.17395487	0.19253264	-0.32229322	0.9997883	-0.018309642	-0.07077879	0.73204285	-0.0897929	-0.39876074	0.15081109	-0.7819169	-0.21683615	-0.55753016	0.38022056	0.5916178	0.08264746	0.16261932	0.28147948	-0.28615797	0.514012	-0.64677876	-0.33670613	-0.6030359	-0.7155272	-0.74518526	-0.9879849	0.3321918	-0.07047007	-0.41683665	-0.4036114	-0.681766	0.73704815	-0.090114295	0.70062715	0.842496	-0.63294184	-0.68935364	-0.09354981	0.2487666	-0.56458676	0.47859782	0.22912125	0.98596823	0.08809029	-0.9663633	-0.98927176	0.114619695	0.1324231	0.049617857	-0.49143514	0.08641852	-0.57266426	-0.51622427	-0.5624416	0.38976422	-0.68682694	0.6814776	-0.18700546	-0.5206898	0.90787655	-0.8717365	0.6074563	-0.70259804	0.68961	-0.4689673	-0.13321222	-0.9999463	-0.49908912	-0.43445453	0.5564926	0.11388536	-0.20498441	-0.1167459	0.5359541	0.17105858	0.11580878	-0.28397536	0.33186886	-0.08058106	-0.37450698	-0.094503105	-0.7290968	-0.037343476	-0.4940487	-0.6513031	0.29824337	-0.000320267	0.559153	-0.4361842	0.41151342	-0.52191806	0.23509853	0.76837033	0.1966728	-0.9977635	-0.2647766	-0.63287103	0.023284297	-0.31718242	0.47565767	0.7942074	0.20533286	-0.035406783	-0.76374096	-0.62879074	-0.12408366	-0.11247273	0.4949147	0.32929426	-0.9874363	-0.68129206	-0.87797815	-0.32112768	0.40685892	-0.2549974	-0.5983774	-0.37891972	0.37905526	-0.054297958	-0.09336628	0.507939	0.19322886	0.07385883	0.3265818	-0.4643957	-0.94612616	0.34250093	0.3442046	0.51704705	-0.8735928	0.49984252	-0.70067257	-0.38410166	-0.34744242	-0.63134015	0.52057517	-0.9981338	-0.5455253	0.47800633	-0.0650888	-0.70432574	0.152186	0.46704102	-0.058097698	0.3154278	0.7921267	0.025469586	0.09040194	0.06430658	0.34064835	0.7318952	-0.29037407	0.45121577	0.9909484	-0.56247836	-0.2390818	0.99360955	0.44834226	-0.369558	0.0605113	-0.09050499	0.2827102	-0.287359	0.4330649	0.6591697	-0.2589878	0.9991927	-0.38714123	-0.73224396	0.10635383	0.26591936	-0.16235438	-0.47302428	0.58988756	0.004214813	-0.1222986	0.9987535	-0.67641187	0.7215176	0.38914675	-0.071475126	0.9968248	0.7042005	-0.07301438	-0.39241567	0.79100883	0.566742	-0.5498611	0.23578407	-0.6835421	-0.25157633	0.88119113	-0.1506103	-0.18996099	-0.057974253	-0.21778488	-0.3724579	-0.31464544	-0.74921995	-0.9959138	0.26331478	0.16860014	0.19693102	-0.9998735	-0.47181705	-0.58153915	-0.2580165	0.4891877	0.07902063	0.79328775	0.18763773	-0.65655243	0.5209601	0.20998995	-0.46805647	0.65131885	0.07484217	-0.3528911	0.27041942	0.46525845	-0.99328446	-0.23640372	0.24160135	-0.24278691	-0.30714542	-0.008883155	0.5667796	-0.26684996	0.073861495	0.15199898	-0.30703247	-0.48100346	0.61592776	0.49555027	0.5290677	-0.9602964	0.65305156	0.39423916	-0.34946164	0.07200003	-0.54997915	-0.013235618	0.9995934	-0.26644054	0.89643353	0.15681817	0.76663333	0.7345057	0.54851127	0.44898465	-0.44345024	0.56488323	0.6177203	0.4687421	0.45632112	-0.603718	-0.6653063	0.44881126	0.47173563	0.5599604	1	-0.36402667	-0.52331764	0.43239218	0.41335577	-0.8473073	-0.33945352	0.052776843	-0.5744666	0.7294631	0.7001008	0.55061996	-0.02462909	-0.32109797	-0.69504595	-0.018389465	-0.6270759	-0.15885946	-0.25241926	-0.5459681	-0.83982456	0.5614363	0.47310722	0.66586757	0.9078456	0.98178464	-0.47493127	0.50263333	-0.42537993	0.17299111	0.23283646	-0.3520741	0.9790365	-0.6677614	-0.40676793	-0.09393871	-0.53968656	-0.35384858	0.4543517	0.09567648	0.35932592	0.9999991	-0.1207759	-0.9760889	0.2650475	0.99860054	-0.7555404	0.6186402	-0.99980193	-0.018979665	0.19747527	0.34618178	0.17394139	-0.36120996	-0.56430835	0.3666632	0.94966656	0.86370766	-0.6120034	0.3527377	-0.72576976	-0.08934982	0.6235501	-0.9999862	-0.996232	-0.98906565	-0.016851446	-0.55426437	0.5658604	-0.7077791	0.90295494	-0.5351605	-0.05677953	-0.58010125	-0.67275536	0.08721051	0.7730396	-0.2857018	0.06423656	-0.20283201	0.054784477	-0.10511388	-0.94564986	-0.9999743	-0.48102966	0.66772413	-0.41973692	-0.3617096	-0.042881597	0.95909774	-0.08862788	0.74189615	0.50469816	-0.5126309	0.7465893	-0.006909744	0.11914635	0.13870086	0.1252828	-0.286742	-0.40030244	-0.33264425	0.9203071	-0.010200311	0.15073758	0.29899812	0.91174203	-0.90343356	0.1813586	-0.8261269	-0.34769273	-0.5797251	0.4108327	0.3113988	-0.2230895	-0.2192064	-0.4100716	0.36508927	0.2775473	-0.14629753	-0.8097825	0.41805133	0.30842164	-0.09298962	0.9999431	-0.54409474	0.09364655	-0.6063461	-0.4110534	-0.43765026	-0.095122285	-0.942678	-0.19996847	0.009468838	-0.44853213	0.80615973	-0.45213524
521	0	COc1nc(NC(C)C)nc(NC(C)C)n1	0.051069554	0.3200286	-0.2189024	-0.22345263	-0.093375385	0.38950196	-0.45052668	0.2868818	0.13985531	-0.2589432	-0.1679441	0.3010624	-0.12672168	0.81030107	-0.62923557	-0.6625632	-0.68583965	0.25237617	-0.49211338	-0.121562526	0.058099616	0.0963538	0.42692646	0.35209686	-0.43038806	0.065629326	-0.19934657	0.26760536	-0.060348276	0.11007147	-0.53429747	0.5183671	-0.63974327	0.3366235	-0.48927388	0.746777	-0.29118523	-0.10856211	0.94244355	-0.7719118	-0.8697204	0.36411056	0.22342059	-0.13761792	0.10707564	-0.9676878	0.103779696	-0.54212415	-0.27621207	0.07166467	0.40452123	-0.23251835	-0.6288719	-0.39084613	-0.5300136	0.71284384	-0.46616295	0.6610128	-0.25792477	-0.21835959	-0.0615368	0.062927745	0.2554129	-0.79141784	-0.4039829	-0.09857622	0.6206738	0.19547917	-0.24733679	-0.24718186	-0.90021324	-0.99834555	0.34437498	-0.48585144	0.24749325	-0.35829154	-0.5884262	-0.026409378	0.25101337	-0.9975839	0.061107326	0.13432449	-0.8678615	0.23894688	0.5195774	0.36417487	0.16331133	0.5159204	0.07581823	-0.38527974	0.33068892	-0.16961591	0.4367365	0.36173624	0.99650776	-0.37037572	-0.1634639	-0.38812616	-0.25296253	-0.1251014	0.16869177	-0.2790621	0.54764146	-0.27260467	-0.22503008	-0.98987854	0.5566639	0.20167923	-0.99886894	-0.2516346	-0.1647137	-0.34583429	-0.48696476	-0.24548867	-0.04984429	0.20184408	-0.58101416	0.30711925	0.99900043	0.5243238	-0.18708564	-0.34904775	0.79517007	0.4994933	0.059220973	-0.09907676	0.23522687	-0.16781422	0.07239957	0.9728248	-0.58948773	-0.51177764	0.23475915	0.33356553	-0.19369268	-0.96010566	-0.7321043	0.26341859	-0.3367603	0.6787274	-0.99862564	0.22131893	0.8563049	-0.39259928	-0.33699748	-0.44313943	-0.37832665	-0.31845635	0.8870027	-0.2583261	0.73053813	0.7623747	-0.4896374	-0.22549088	0.1132158	0.12895235	0.41275382	0.98701656	-0.7420261	0.89376444	-0.9797697	0.24927762	-0.12012688	0.14539035	-0.78047657	-0.1897678	-0.020784078	-0.00136743	-0.6495708	-0.14057578	-0.13238238	-0.09640257	0.092013925	-0.500819	-0.31398475	0.24419054	-0.52590555	0.3231798	-0.92814153	0.117578395	0.17459205	-0.8993129	-0.76488024	0.109232545	-0.16160005	-0.59387326	0.64244354	0.4586921	-0.593554	-0.098404564	0.9829134	0.43054554	0.48982972	0.49822465	0.048427735	-0.2287406	-0.12655112	-0.74060035	-0.05172497	-0.046082873	0.16905707	0.33700532	-0.38818988	-0.14517479	-0.42919078	0.41641837	0.009045934	0.24887636	0.7466474	-0.99712795	-0.36787483	0.17387204	-0.14947902	0.40996212	0.7057618	-0.5381004	-0.52526504	-0.57388973	-0.27505213	0.3624925	-0.16603604	-0.40618291	0.59333056	0.31265187	-0.95360833	0.06966447	-0.045448545	-0.0664836	-0.081454255	0.56155086	-0.06275744	0.001299049	0.35342366	-0.21699382	-0.5487562	-0.20654698	-0.49626994	0.10913396	-0.41578138	-0.07175241	0.948214	0.52333885	-0.2762295	0.23673601	-0.19534127	-0.4270944	0.31790042	0.42458457	0.33565068	-0.25014824	-0.8593604	-0.9986322	-0.016194424	-0.21753009	0.27375436	-0.18395455	-0.015402528	0.27636117	0.64429414	-0.59377444	-0.0364067	0.40572432	0.36491185	-0.03979649	0.26890734	-0.27267966	-0.4658456	0.26762787	-0.8463291	0.22589093	0.24107106	0.92539704	-0.26429784	0.17828639	0.48882848	-0.9017252	0.4489481	0.90729594	0.512797	0.08006421	-0.023978341	0.99923843	-0.06532647	-0.36741787	0.24708937	-0.036830805	0.18391085	-0.9105898	-0.96567214	-0.091367945	0.61351526	0.99809635	-0.13020281	0.9333692	0.41833997	-0.59649473	0.9987376	-0.73918307	0.549421	0.16661035	-0.20530497	0.24950373	-0.2879711	-0.72833776	0.9053576	0.96909505	0.85171103	0.35347423	-0.24872634	0.17002617	-0.5643936	0.39878374	0.6071419	0.004100719	0.46597227	0.10565407	-0.007234071	0.12548822	0.9342296	0.69399065	0.039724804	-0.5772126	0.62368137	-0.6268363	0.34814292	0.22349267	0.3856121	-0.016745223	0.18783137	-0.20478676	0.14208028	-0.40255183	0.07434333	-0.6289304	-0.086660825	-0.84887064	0.30475622	-0.19422041	-0.7363248	0.22293176	0.24283755	0.4099875	-0.28400087	0.03375345	0.3978148	-0.48178533	0.16274719	0.30733573	0.3257996	0.46025327	-0.98574394	-0.3268228	0.43185452	0.014500146	-0.2089836	-0.19232953	0.21846825	0.9983267	-0.08320162	-0.091817	0.4415336	-0.6005574	-0.42101923	-0.2825437	0.31766862	-0.38737252	0.49767014	0.44033173	-0.71935815	0.14494176	0.004601307	-0.11544439	0.54019624	-0.3674701	-0.42190886	1	0.09779469	-0.09272946	-0.17159708	0.1372058	0.047449544	0.38496417	-0.36784983	0.41856232	-0.81935126	-0.043002278	-0.45439175	-0.5408582	-0.36072803	0.72760123	0.1728973	0.5089826	-0.25146052	0.5750883	0.22241224	-0.69005656	0.54702705	0.16047016	0.3145881	0.6721679	0.43707684	-0.12614174	0.6468731	0.08021164	-0.39301386	0.05237578	0.542164	0.13259596	-0.009204542	0.08326752	0.12437725	0.5443263	0.1828842	0.3794089	0.398725	-0.41602233	0.94147664	0.6299129	-0.91123337	0.19798693	0.9971619	0.060688347	0.030063601	-0.96864444	0.38257995	-0.3662521	0.33493268	0.3285762	0.26793787	-0.25979638	0.09900183	0.50816846	-0.5103455	-0.43360588	-0.7300219	-0.22534561	0.13524257	0.13976447	-0.9999272	-0.9970364	-0.9784941	0.17134568	0.34981805	-0.002936353	0.54040146	-0.11939688	-0.7183278	0.4872064	0.6746572	0.38238236	0.31877738	-0.5893761	0.34774736	0.43338835	0.8185632	0.45272762	0.21722825	-0.8922136	-0.99993026	-0.022432517	-0.31856278	0.1172373	-0.2523076	-0.23247127	-0.25621495	0.7991643	0.7831554	-0.023666264	0.18602803	-0.6188903	-0.3246913	0.92216146	0.35250825	0.46528485	-0.25134277	0.24324724	-0.48193488	-0.48927936	0.20254281	0.05612055	0.18565595	0.7531083	0.5061862	-0.5694052	0.12887335	0.27828777	0.27748862	-0.14192489	-0.50390375	0.6443165	-0.03356039	-0.3520747	0.07309321	0.4739662	-0.64637464	0.29519692	-0.25504223	0.33415037	-0.44882995	0.99994504	0.39889443	-0.52798	0.55645376	0.011482385	0.25399762	0.09796798	-0.92395145	0.14432846	-0.97442764	-0.5791613	-0.70832354	0.055558626
522	0	CSc1nc(NC(C)C)nc(NC(C)C)n1	0.04637108	0.31539467	-0.28506073	-0.42583665	-0.18366522	0.1332506	-0.30260774	0.33424005	0.1045736	-0.506874	-0.44416445	0.2020441	-0.048798777	0.6916674	-0.7015235	-0.6677784	-0.62783104	0.15996836	-0.33391565	-0.1911949	-0.018089384	0.2273079	0.47368407	0.23458259	-0.2461858	0.3744161	-0.541126	-0.011181789	-0.034499284	-0.09843217	-0.41517815	0.54144543	-0.62576175	0.25231436	-0.3936851	0.7977228	-0.12745456	-0.08701144	0.9502641	-0.84114015	-0.8767571	0.14856727	0.276167	0.04364595	0.10533387	-0.960334	0.022032768	-0.52900124	-0.08394778	0.07552709	0.15597364	-0.073286235	-0.6775359	-0.41129643	-0.60868055	0.77822626	-0.46365023	0.64461064	-0.10521384	-0.24803399	-0.23753104	0.070851505	0.24311315	-0.74885386	-0.20867176	-0.09256883	0.684046	0.23726436	-0.17169304	0.048827507	-0.93829393	-0.9951515	0.31757918	-0.51355004	0.40027186	-0.67768055	-0.55278367	-0.16765304	0.30269924	-0.99764663	-0.0710032	0.12607852	-0.8528689	0.41015452	0.44879538	0.004821159	0.17348771	0.3963131	0.15152591	-0.32848954	0.40698922	-0.11772208	0.57174414	0.011415282	0.9925752	-0.4178067	-0.060833443	-0.34630898	-0.31155276	-0.16091314	0.23422606	-0.08083829	0.44669178	-0.22991928	-0.30113533	-0.9881457	0.60581917	0.2697553	-0.999037	-0.18153805	-0.28484514	-0.41176528	-0.62322265	-0.24618527	-0.0260164	0.27768797	-0.5742503	0.14855844	0.9989425	0.27878556	-0.31636828	-0.26313636	0.81612426	0.3636416	0.101391636	-0.10389453	0.18226117	-0.01408591	-0.181266	0.98929304	-0.56286323	-0.5522895	0.4442239	0.47997028	-0.000801468	-0.9651336	-0.84332126	0.49997872	-0.36694106	0.7659881	-0.99863786	0.29010892	0.895694	-0.54973644	-0.42837518	-0.26941293	-0.57000303	-0.26741412	0.858598	-0.3243135	0.51546043	0.7542614	-0.42177877	0.0204535	0.084481746	-0.15551077	0.49673373	0.986428	-0.7727378	0.8919797	-0.9757398	0.30454665	0.020989154	0.1905492	-0.720058	-0.03766689	0.19590177	-0.30975524	-0.5023402	-0.17072587	-0.1639931	-0.12898332	0.121021196	-0.42231897	-0.28103605	0.3713042	-0.6073238	0.047180682	-0.93576026	0.054441962	0.010159771	-0.8035289	-0.75735974	0.3336824	-0.31017554	-0.6421387	0.6106268	0.23798937	-0.6278871	-0.23418625	0.97318053	0.47179794	0.5552221	0.63753265	0.0836448	-0.31905463	0.086528674	-0.7025343	-0.040379148	0.015749382	0.48685703	0.20933777	-0.27372482	-0.06427949	-0.54959494	0.4523234	-0.25361216	0.016737482	0.77999	-0.9972844	-0.4837308	0.20499256	-0.40468153	0.50220823	0.8058591	-0.705375	-0.33630502	-0.5238463	-0.3513417	0.5479579	-0.12240851	-0.447942	0.38370335	0.0583554	-0.9615566	0.10316249	-0.113579065	0.03612051	-0.073407225	0.5149943	-0.01583325	-0.053329132	0.30438083	-0.33984223	-0.5862755	-0.16580522	-0.5194616	0.20650956	-0.283492	-0.14195803	0.9539988	0.58903664	-0.12935963	0.39082173	-0.10084248	-0.5620887	0.39482862	0.2811087	0.31860545	-0.34319597	-0.8963396	-0.9986067	-0.36408666	-0.22138223	0.06767015	-0.2607632	-0.18842739	0.22022943	0.6192298	-0.7357934	-0.25062642	0.26688468	0.35104826	0.15917769	0.21492915	-0.16450757	-0.32566667	-0.06363005	-0.8403571	0.23011826	0.23836805	0.9417395	-0.44867498	0.45066723	0.38794747	-0.9111211	0.56823653	0.8577945	0.6245112	0.22810566	0.09880944	0.9992166	-0.015548122	-0.3235534	0.2453953	0.1524346	0.110901326	-0.86202806	-0.96767586	-0.27605703	0.53438246	0.9979997	-0.23384671	0.9389612	0.585581	-0.47698355	0.9988301	-0.85958517	0.4568056	0.23903875	-0.20819192	0.38536873	-0.38639936	-0.75000757	0.91805184	0.96351665	0.8432459	0.57803285	-0.31087527	0.24453788	-0.41157305	0.37752128	0.611809	-0.07062344	0.64138323	0.126391	-0.16157205	0.2692977	0.9344	0.6982902	0.10501115	-0.62561285	0.54140806	-0.6334601	0.3609184	0.006251745	0.41340932	-0.17894062	0.1992282	-0.23767225	0.21073702	-0.39973572	0.22466674	-0.3629285	0.004271062	-0.6709843	0.29431403	-0.33200055	-0.714581	-0.012982897	0.14676905	0.35622278	-0.42905587	-0.028131174	0.43696335	-0.3348992	0.32689992	0.43080103	0.13901238	0.41843778	-0.9854531	-0.6993809	0.41249588	0.01791377	-0.05530612	-0.2169427	0.23684609	0.9982439	-0.4307667	-0.14089815	0.3873423	-0.67178637	-0.3039782	-0.53167826	0.15043063	-0.4730652	0.3507758	0.3631232	-0.7680164	0.32127458	-0.001650854	0.14233845	0.53638905	-0.35549086	-0.40261942	1	0.030613383	-0.19047892	-0.2682375	0.287167	0.1019447	0.45505542	-0.27127776	0.4234211	-0.77184945	0.10890751	-0.5604442	-0.36484507	-0.3843633	0.75258046	0.12243516	0.5688562	-0.19994214	0.40712735	0.23715481	-0.6993872	0.634046	-0.12659842	0.27067804	0.43971005	0.27021176	-0.15610963	0.5561458	0.14159131	-0.2575234	0.1672079	0.46890607	0.14504714	-0.09900619	0.18638413	0.43300736	0.6701543	0.3775031	0.50061506	0.1772237	-0.27220988	0.9436408	0.5882912	-0.8761686	0.19814672	0.996037	0.014870832	0.18491292	-0.96723026	0.5932495	-0.30127355	0.45021304	0.27479872	0.09106466	-0.15062873	0.04367009	0.19870734	-0.30717203	-0.3986495	-0.78419584	0.08138422	0.35895267	0.2273133	-0.9999365	-0.9966009	-0.9782916	0.06587371	0.4443982	-0.039445847	0.3404878	-0.12633495	-0.6747121	0.70768434	0.7017632	0.292052	0.3402763	-0.57737213	0.24307288	0.16176617	0.8632621	0.44993803	0.44013327	-0.85512924	-0.9999211	-0.0492745	-0.26581064	0.058576223	-0.26731056	-0.25041237	-0.53197765	0.7739324	0.67414194	-0.0988545	0.19146945	-0.58348626	-0.2677773	0.9237366	0.32919437	0.34880945	0.09832885	0.32212633	-0.3288982	-0.609096	0.19337797	0.042064723	0.2086933	0.62192273	0.40405196	-0.44978648	0.39065146	0.012534672	0.10428117	0.002117517	-0.4197508	0.6352075	0.12288456	-0.38704115	0.3297991	0.5587795	-0.4883914	0.2953911	-0.20047666	0.31133702	-0.49936995	0.9999478	0.19676594	-0.45698607	0.5435678	0.17625456	0.18902963	0.040825978	-0.9306894	-0.08625042	-0.9536053	-0.5625944	-0.77291363	0.14760335
523	0	CCCOC(=O)NCCCN(C)C	0.3726585	-0.1565749	-0.038049165	0.14255323	0.19953758	-0.3606796	-0.24479742	-0.21849902	-0.7304047	0.5917881	-0.39577147	-0.10765561	-0.25691062	0.109237134	0.38083297	0.31321177	0.06857154	0.09767857	0.09974202	0.4042934	0.06602776	-0.77196455	0.15251029	0.40112138	-0.15051433	-0.30749983	-0.020663831	-0.076888	0.17467168	-0.35004386	0.5134037	0.6152299	0.44056875	-0.047662307	-0.078938305	-0.069843344	0.29376534	0.08271589	-0.04923629	-0.8198736	-0.99129564	0.1192412	0.070163704	0.16884969	-0.38499945	-0.993942	0.371616	-0.32868108	0.9023726	-0.048719577	0.45022085	-0.48244926	0.1692181	0.3561581	-0.4301154	0.16035953	0.9175482	0.95541245	-0.42335862	0.83450025	0.22078516	-0.3961353	-0.5531069	0.037327435	0.48804042	0.31301734	0.34677005	-0.15046676	-0.2902838	0.18469071	-0.3956044	-0.99887294	0.3654547	0.85229456	0.20715411	0.089943916	-0.33997568	-0.23930664	0.08586021	-0.9998233	0.15727305	0.16393462	-0.33326173	-0.35083115	0.4011116	0.6851552	0.5084266	0.115441374	0.39879018	-0.24240825	0.19063342	-0.5435994	-0.31832278	0.0913322	0.9966108	-0.26265335	-0.48277065	0.012577119	-0.23155896	-0.03747637	-0.44919536	-0.28586802	0.06876247	0.10973174	0.87731206	-0.58897316	0.644992	-0.15607752	-0.88001627	0.08637506	0.24448062	-0.13550565	0.2576906	-0.049152333	-0.31881922	0.4255213	-0.18830478	0.3637713	0.99860454	0.7524987	-0.2539031	0.42026103	0.46758348	0.24119036	0.002565512	-0.08101847	0.21643156	-0.53860426	-0.009905632	0.9916026	0.45783034	-0.15143833	-0.027887268	0.49242485	-0.10225017	-0.9656055	-0.4218441	0.30321544	-0.08388484	0.55413383	0.99784786	0.10221748	0.9575642	0.02679806	-0.32401103	-0.1234105	-0.073781855	-0.0923236	0.98272675	-0.09494372	-0.08039068	0.5366715	0.2827924	0.017221881	-0.19634412	0.33709022	-0.08656737	0.99857825	-0.41466588	0.6253383	-0.9767252	-0.50612414	-0.1929333	-0.35009634	-0.3133504	-0.49174592	-0.18996078	-0.090081885	-0.07081232	-0.54908925	-0.16463947	-0.46763468	0.76821226	-0.17381208	0.078320675	-0.92983735	-0.44332728	0.27091125	-0.80450267	-0.53179187	0.41553393	-0.7841278	0.6418378	-0.32302943	-0.8928688	-0.2394219	0.42134994	0.601905	0.15341452	-0.2152589	-0.13081706	-0.014011574	-0.6883237	0.22332095	-0.008085387	-0.4623537	0.1252853	-0.938561	0.036376383	-0.2524393	-0.42414334	-0.7596494	-0.020307645	0.15243489	0.26959234	-0.15252645	-0.30910417	-0.53075767	0.37879223	-0.9800444	-0.409396	0.021404998	0.16188884	-0.18658192	0.119891	0.45618188	-0.68342483	-0.11767166	0.09269866	-0.37656534	-0.481571	-0.3797205	-0.15013407	-0.14525546	-0.90549195	-0.1372364	0.24050787	-0.46373492	-0.622065	0.000739084	0.35287157	0.4304703	-0.31015834	-0.014675678	-0.309332	-0.4393968	0.10166361	-0.17117599	0.37686363	0.25207853	0.8798423	-0.38270688	-0.20348704	-0.5554688	-0.6558932	-0.4948214	-0.094645604	-0.1880944	-0.20107915	0.41207546	0.46282747	-0.9998447	-0.14971107	-0.23696068	0.09219726	0.36594722	-0.35083005	0.69116133	-0.14009477	-0.4745099	0.3452631	0.46168038	0.46266782	-0.15055887	0.15185875	0.023315746	-0.000884294	0.14794652	-0.050207727	-0.10563993	0.008781125	0.45458496	0.05244772	-0.0765305	0.18753438	-0.7325243	0.52680194	0.13185985	-0.49343246	0.33401358	-0.74709314	0.9992984	-0.38605765	-0.3400176	-0.5327923	0.019646583	-0.20736435	-0.26896176	-0.47985253	0.22351278	-0.10349638	0.9993563	-0.24921551	0.6476539	0.409547	0.29907876	-0.98588693	-0.6228575	0.19132765	0.52241695	-0.46618757	0.36024147	0.372135	0.0927497	-0.30996385	0.31197745	0.99112415	0.11804467	0.41311166	0.1653677	0.12040778	-0.23175316	-0.07065514	0.17578705	0.58363086	0.094802454	0.18336412	-0.07217217	-0.9730087	-0.16638501	-0.39628902	-0.044243947	-0.105812155	-0.44665506	0.5869876	0.063073896	-0.22018592	-0.78698695	-0.11331423	0.40022427	-0.15042903	0.2387865	0.30504128	0.05595469	-0.10298137	-0.8674683	0.10686074	0.4484613	0.02460196	-0.08344618	0.030749956	0.5237895	-0.28348356	0.7561489	0.307468	-0.38661727	-0.3882814	0.055404656	0.08108817	0.92473537	-0.99475664	0.5071984	0.22870785	-0.08622725	0.30525106	-0.35219488	0.103084445	0.99944866	0.33962885	-0.59804684	0.22472242	0.49952155	0.19700511	-0.17674375	0.32443777	0.3318505	0.15316772	-0.44554386	-0.66040295	0.57659113	0.3330088	-0.5023977	-0.7593102	0.86379015	-0.35581842	1	-0.003081564	0.2813412	0.65436834	-0.23155516	-0.29234117	0.2192084	0.6540353	0.54159325	0.5869609	-0.014442167	0.25795773	0.47725287	0.52475137	-0.21149582	-0.12756737	-0.0510494	-0.040184733	-0.7544719	0.2640457	-0.77710587	0.45596647	0.4600174	-0.611208	0.33284634	-0.41658342	0.35059	0.05645889	-0.08605076	-0.3550897	-0.16202797	-0.077055976	-0.5773783	0.39413124	0.14614901	0.26319253	-0.5846833	-0.34677365	0.09536408	-0.002060045	0.5788596	0.9999608	-0.3301627	-0.76102066	0.18898287	0.99955136	0.37391335	0.34919745	-0.9991573	-0.51724184	-0.72377396	-0.7469205	-0.6643637	-0.3891237	0.33395132	-0.29415917	0.70602083	0.44029486	0.592441	-0.0881703	0.37733015	-0.37339988	0.39575145	-0.99980336	-1	-0.9848947	0.38429976	0.05049815	-0.134067	-0.15236664	0.0627237	0.23865747	0.006974936	0.45532018	0.16521263	0.046478402	-0.39104396	-0.1470396	-0.26844656	0.008717218	-0.22795232	0.009953557	-0.9857094	-0.9997757	0.19738063	-0.59542125	0.18463255	0.118659765	0.21905093	-0.8971	-0.56734717	0.5632806	0.37632504	-0.5543379	-0.5075943	-0.30373153	-0.7718236	0.015586354	0.8335713	0.36726686	0.4232639	0.23400015	-0.24104616	0.0745367	-0.14928459	-0.012229856	0.7443606	-0.004907865	0.09918793	-0.5415676	0.3049789	0.2681603	-0.09894816	0.66488034	-0.30926257	-0.41433796	0.21084131	0.581575	-0.705319	-0.15860061	-0.16437973	0.1099973	0.1456068	0.443528	0.99997854	-0.02440857	-0.39351025	0.09184062	0.66808677	-0.24568285	-0.009956118	-0.45792195	0.35494626	-0.68309647	-0.18968138	0.44816598	-0.13677785
524	0	C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1	0.4860331	-0.17772499	-0.4962129	0.76253074	0.68289214	-0.33533406	-0.4234433	0.455609	-0.16701259	-0.114268705	0.5470432	-0.57545704	0.22125693	0.58986586	-0.022391593	-0.35814977	0.06354485	-0.054335658	0.15357898	0.070562944	0.5580111	0.16636637	-0.3367274	-0.28460503	0.120271206	0.5890969	-0.4617035	0.40551755	0.34587815	0.50118005	0.05096244	-0.12063765	-0.10508433	0.14821205	0.4614315	0.5433094	0.06295223	0.27654257	0.99920446	-0.6692312	-0.30892655	-0.67907107	0.4886885	0.47537696	-0.34779993	-0.038946792	-0.71551895	0.50969416	0.9887064	0.38160652	0.7912064	-0.18812461	-0.74443406	0.67158407	-0.3509267	-0.15186803	0.44040275	-0.40559524	0.59959716	-0.00099874	0.4718954	0.63189834	0.12520465	-0.08775065	-0.2901016	0.010499328	-0.43052825	0.48799545	0.17214835	-0.28160343	0.24688716	-0.67366016	-0.003080626	0.47855908	0.69543046	-0.1569447	-0.23868906	0.040533945	0.068402365	-0.99983025	0.46254236	-0.3876906	-0.8999634	-0.55376935	-0.7186441	-0.9000367	0.20894852	0.08110431	-0.31943724	-0.6944247	-0.24244198	0.6584622	0.059397995	0.071208514	0.998301	0.18159848	0.3635988	-0.2759591	-0.6762976	-0.71404165	0.17115061	-0.009317363	-0.41407531	0.9516068	-0.99584514	-0.55893975	0.71498394	0.7445532	0.9708187	-0.14122897	-0.3640727	-0.106031165	0.04209317	0.4271818	0.49075484	0.048037082	0.7753027	0.75753796	0.97801375	0.5418574	-0.59328395	-0.18386057	0.7124308	0.28904918	0.42183933	0.57461923	0.33751804	-0.74290943	-0.29150033	0.9998453	-0.464106	0.38893998	0.6117263	-0.33091962	0.53617406	-0.98692864	-0.6007021	0.17357333	-0.25285378	0.11966148	-0.99997705	0.6515393	0.81232303	0.2587922	0.4260372	0.5025176	-0.65646404	-0.6601607	-0.9748768	0.615997	-0.13861552	-0.82828456	0.5530272	0.5937994	0.37306526	0.6087278	-0.0508271	0.024789197	-0.4419347	-0.92430854	-0.66575444	-0.51944953	-0.3140526	-0.11811609	-0.30473867	-0.1277312	-0.14103135	0.49433658	0.16899966	0.23552307	0.14321107	-0.2816118	0.6504663	0.053074438	0.7031462	-0.8540418	0.7153209	0.20164925	-0.33989593	-0.71750885	0.53639686	-0.8424662	-0.07859618	-0.10658378	0.4098423	-0.48251253	0.21354704	0.50520957	0.3558297	-0.19434164	-0.75398535	-0.2694703	-0.27529272	0.5801326	-0.30168465	0.27302673	0.52425116	-0.8125428	0.64180046	0.1645918	0.33574283	-0.6179139	-0.13309066	0.38786486	0.52639854	0.018060012	-0.46770832	-0.77581143	-0.16105843	-0.99994624	-0.37851724	-0.27597648	-0.006939884	-0.008228093	0.5642178	0.6347887	-0.3985228	-0.60702896	-0.5820817	-0.22284772	0.2047464	-0.4653815	-0.014800302	0.47649306	-0.9800894	0.123298734	-0.41273403	-0.48169804	-0.2258537	0.23305425	0.07356311	-0.16661252	0.14153741	-0.1768156	0.58785236	0.67690176	-0.48578545	0.55699426	0.41315797	-0.6936978	0.8517005	-0.49896723	-0.70081055	-0.31543285	-0.06001108	-0.4223776	0.41369665	-0.026857765	-0.38835943	0.43458915	0.56743956	-0.9624889	-0.47242793	0.6992789	0.22347903	-0.3152493	-0.47340822	-0.065871805	-0.45423993	-0.57028115	-0.34642988	-0.7283429	-0.15807748	0.36013758	0.29921654	0.4171172	-0.1350139	-0.19301164	0.9678927	0.11598147	0.011816585	0.9996607	0.420558	-0.480276	0.3766574	-0.8123229	-0.28471747	-0.5537552	0.1025771	-0.21997647	0.1245792	0.9948177	-0.58311754	-0.3358692	-0.9140694	-0.3282957	0.7163772	0.92035675	0.7976563	-0.30621955	-0.20181942	0.8902367	-0.19878949	0.4109999	0.20683604	0.2592642	0.9999739	-0.99484926	-0.31124607	-0.32333726	-0.298115	0.18031657	0.22858027	-0.5902415	-0.2776376	-0.67101926	-0.9429827	-0.2517477	0.8065346	0.7807153	-0.5198493	0.16345243	-0.27240813	-0.49496314	0.4692488	0.11363162	0.37082845	0.17763978	-0.99983126	-0.114077665	-0.32217017	0.26911706	0.5901662	-0.6947476	0.27669436	0.52915114	-0.070596255	-0.45080242	0.33403495	0.5062767	-0.32614952	0.38628164	0.10554834	0.21575123	-0.15451224	0.75038236	-0.01752478	0.85961884	0.65349627	-0.09411115	0.03268057	-0.19336276	-0.18313612	0.7640177	0.054786325	-0.031604815	0.49672717	0.274196	-0.2358453	-0.82139367	-0.9088434	0.044128854	0.51954216	-0.36697894	-0.10558401	-0.39560452	0.5979232	0.9997146	0.3899247	0.26578206	-0.33689997	0.66364014	0.699322	-0.42917538	-0.6855271	-0.6366224	-0.6343209	-0.6907444	-0.07424443	-0.001142539	0.17713895	0.36882624	-0.050085746	0.004143266	-0.41010138	0.992915	-0.33600983	0.22728448	0.3518041	0.6546575	-0.30517635	-0.475877	-0.12803593	-0.002996767	-0.32795733	-0.6566747	-0.083831914	0.19380218	-0.040075112	-0.6534921	0.06689288	0.05322474	0.21703203	-0.6237395	0.7358554	-0.6889671	0.7529419	-0.02590447	-0.29376534	-0.38095433	0.49091065	0.16828965	0.673641	-0.09232369	-0.50041413	-0.51871794	-0.1663833	-0.29449934	0.5397379	0.1929112	-0.563097	0.5340765	0.40011647	0.462072	-0.37102604	-0.064524874	0.99999934	-0.5046394	-0.9634802	0.01925609	0.998175	-0.55934834	-0.17923696	-0.9998516	-0.10280859	-0.9284904	-0.058609243	-0.5303053	0.1401849	0.3833268	0.11421254	-0.5235628	-0.43986902	0.57769436	-0.29233605	-0.607027	-0.44040415	-0.48513258	-0.99993217	0.9913943	-0.27256906	-0.6413914	-0.4223807	-0.73351693	-0.53198487	-0.46360636	0.6019299	-0.36462954	0.2207053	0.59045005	-0.5997125	0.2371117	-0.01728822	0.7194772	0.05406025	0.2009331	-0.42639378	0.7056486	-0.9995023	-0.1587161	0.021435961	-0.017232124	0.32324538	-0.12986009	-0.8998446	0.34664693	0.66428447	0.7915659	-0.26851603	-0.60160106	0.7073133	0.8780765	0.030461673	0.05279043	0.7605954	-0.00233096	0.21575414	-0.04934289	0.4114724	-0.19828233	-0.11558901	-0.37721023	-0.99602354	0.058485102	0.37946838	0.06763631	0.27142364	-0.6006832	-0.006011888	-0.6964698	-0.611595	0.8582561	-0.17043142	0.9965218	-0.16595526	-0.43547413	-0.010111139	0.021948049	-0.18205377	0.99996907	0.22480942	0.011875733	-0.75932664	0.26404697	-0.1851521	-0.121866524	-0.9974622	0.3335045	0.30215707	-0.341213	-0.03601917	0.61658597
525	0	CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C	0.9090409	0.19201605	-0.86437964	-0.23003124	0.47961012	0.10632005	-0.92558897	0.1681994	-0.35141215	0.44922346	-0.37298223	-0.17905779	-0.4516762	0.2184569	0.24756221	-0.78366613	-0.73251414	-0.15840724	-0.72919863	0.2297352	0.07390639	-0.4087585	-0.29502007	0.016479082	-0.40718746	0.5367458	-0.46696585	0.43016803	0.031780545	0.54871064	-0.37255478	-0.6021539	-0.31332698	-0.68411404	0.68012583	-0.122967824	-0.33976683	0.18144667	0.99033827	-0.1744016	-0.8947314	0.007364994	-0.25943694	0.030092997	0.31753534	-0.8979758	-0.21284135	-0.23397638	0.9791567	0.24833775	0.54621303	-0.44047597	0.19052006	0.6244824	-0.4211375	0.26542106	-0.3139748	0.29089218	-0.23429531	0.4029251	0.05094912	0.5800248	-0.27482685	-0.21462572	-0.7480524	0.27544308	0.45345247	-0.36203337	-0.28525952	-0.29631162	-0.7002515	-0.98950183	0.3759676	0.80100584	0.114160284	-0.8349832	-0.40659797	-0.37702304	0.23450089	-0.9999203	0.48351547	0.11528019	-0.63254124	-0.66191745	0.79310024	0.16264725	-0.6034597	-0.46183512	0.10387832	-0.1033055	0.76603526	0.34199214	-0.2824273	-0.3894151	0.9988757	0.6908151	-0.34420195	0.11919584	-0.15026626	0.3235218	-0.014662543	0.5953824	-0.15431927	-0.12718232	-0.8473608	-0.82594794	-0.3331102	0.03732458	-0.91381824	0.2592381	0.6097351	-0.38053647	-0.6592852	-0.42172247	0.7407773	0.3243323	-0.301465	0.21385778	0.9983735	-0.30633146	-0.46991062	0.22935519	0.6621263	0.44215712	-0.48173442	0.14363275	0.049297355	0.4719536	-0.45042697	0.9959325	-0.37164947	-0.39000598	-0.16281013	-0.04244417	0.26735157	-0.9933891	-0.11690115	-0.010893237	-0.53063446	0.11471082	0.99353933	-0.13800126	0.8305331	-0.4334335	-0.32182035	-0.23209468	-0.33780283	0.2280075	-0.14447367	0.09942003	0.8739771	-0.5870289	-0.29316497	-0.601526	-0.27866137	-0.025343345	0.16220403	0.9549329	-0.76799226	0.16648494	-0.93978584	-0.5986648	-0.38712612	0.73723054	-0.15644336	-0.17029606	-0.28834185	0.07725767	-0.009529289	-0.3874524	0.057378214	-0.56514126	0.5255967	0.11209795	-0.15354234	-0.7390784	-0.40296775	0.7561235	-0.47492802	0.28399327	-0.07051238	-0.98448443	0.050814565	0.6073227	0.5003529	-0.120855756	0.44665876	-0.42061883	-0.07766202	-0.3674234	-0.16562791	0.08411996	-0.46469846	0.26644298	-0.45543343	-0.05171194	-0.052342266	-0.9294283	-0.047502745	0.08073915	0.51500016	0.028990842	-0.06657099	-0.23360634	-0.65436107	-0.07390786	-0.06430774	-0.14299868	0.17267977	-0.9998633	-0.5802245	0.003181559	-0.118606776	0.56665134	0.64292705	0.27539256	-0.7157774	0.5107621	-0.5654278	0.7774416	-0.003632315	-0.37982944	-0.15665838	0.1444165	-0.9847006	0.016851729	0.16557615	-0.5695058	0.39952117	0.5570178	-0.58033085	0.03740222	-0.55505365	-0.031306207	0.25217187	0.052386772	0.11912943	0.28512675	0.19744648	-0.613825	0.65323	0.4197741	-0.27281788	-0.24470031	-0.77686393	-0.67347634	0.24300449	-0.28296003	-0.073392816	0.15571918	0.60108685	-0.99985236	-0.25609252	-0.05955755	-0.5248761	-0.363571	0.36585265	-0.111257896	-0.16725199	-0.42200953	-0.42684135	-0.1354292	-0.07488454	0.7403984	-0.385253	0.007545115	-0.42302564	0.5447957	-0.013273193	0.3173121	0.396482	0.9995275	0.41385752	0.6444483	0.948281	-0.9578316	0.68320394	0.435961	0.45373854	0.265256	0.41742334	0.99859303	-0.7439916	-0.46203643	-0.14760537	-0.25624302	-0.3126506	0.20477217	-0.95169216	-0.79478	-0.39873543	0.99553996	0.42377853	0.6648956	0.15274347	-0.3761249	-0.9854488	-0.86182046	0.62576056	0.28840104	0.13352892	0.6696345	-0.33501178	-0.38591725	-0.14190961	0.3569202	0.564531	0.59610164	0.06687863	-0.28707874	0.3686096	0.7948733	-0.6239705	-0.8063576	-0.37936422	0.5091833	-0.32038435	0.7746235	-0.9067234	0.21204321	0.21319458	-0.5474333	0.00537473	-0.6731956	0.7512786	0.2154407	-0.33448938	-0.36460862	0.34528226	0.096053794	0.07829509	0.33837885	0.620749	0.62739146	-0.5060123	-0.52537817	-0.275138	-0.5681248	-0.4127226	0.12310401	0.19297394	0.35251388	-0.7132466	0.18247259	0.02421103	0.5165393	0.6937054	0.43814018	0.14476742	0.08977279	-0.96245146	0.27756602	0.19052722	0.25180537	-0.44787794	-0.334236	0.48126268	0.9999582	-0.0905442	0.30261928	0.39272895	0.1404397	0.44994727	0.18012871	-0.38366008	-0.5650644	-0.25299704	0.7896463	0.3821306	0.23354977	0.32002085	0.62992495	-0.053439163	0.19012758	-0.1540531	1	-0.27355498	0.8034126	-0.19744472	0.09433474	-0.6813345	0.62683475	0.04738799	0.6907792	-0.07882062	-0.09796656	-0.31075943	-0.29272985	0.13206771	0.45363757	-0.25043604	-0.2652405	-0.617549	-0.024426837	-0.38278335	-0.9877596	-0.32680243	-0.47777465	-0.23892641	-0.023580177	0.58041036	0.02303359	0.14327827	0.13178208	0.13703176	-0.1512902	-0.3167535	0.12831314	0.3613511	-0.7549335	-0.6266939	0.21304612	0.52118254	0.39690578	-0.04965577	0.22233555	0.9999153	-0.17818066	-0.81570023	-0.60570693	0.9994685	0.61487645	-0.38053337	-0.998941	0.42994818	-0.48399404	-0.08480285	-0.40402535	0.048781984	-0.08770302	-0.7044726	0.5869239	-0.3985763	-0.33832887	-0.6621707	-0.11846158	0.20169584	0.8098477	-0.99995404	-0.99999994	-0.97020304	-0.47695065	0.76018596	-0.5085374	-0.51078826	0.19069566	-0.2911189	0.1754735	0.6808302	0.049071766	-0.2564199	-0.5121666	0.11672035	-0.5002322	0.71599644	-0.07300852	-0.07594615	-0.7105736	-0.9998404	0.45958143	0.33287403	0.7063266	0.08688267	-0.009879253	-0.3304483	0.36401752	0.70053154	0.65978235	0.897041	-0.7647078	0.28533712	-0.8150581	0.53981936	0.051150367	-0.58971214	-0.2625046	0.18798809	0.4123328	0.28563964	0.40676707	-0.35872564	0.7643119	-0.9879048	-0.09732565	-0.3479679	-0.31990194	-0.16523966	-0.17572139	-0.20641294	0.6764404	0.386566	0.6814418	0.4005248	0.87544346	-0.64039046	0.45178047	0.12600316	0.3853858	-0.5312219	0.9999261	0.4935232	-0.0802662	0.14765213	0.43330622	-0.42096305	-0.20136453	-0.98989135	0.007332439	-0.11133829	-0.030844538	-0.14199363	0.5408267
526	0	CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1	0.26983082	-0.27756953	0.30730265	-0.25059545	0.06687201	-0.16455258	-0.663332	-0.34463018	-0.06512244	-0.42489135	0.00136515	0.30739158	0.24021131	-0.2532766	0.06087664	-0.028529912	0.41637823	-0.6731608	0.038609676	0.55954325	-0.03482698	0.18916902	-0.59395754	0.1887188	0.19326857	-0.69368935	0.28788543	-0.37286475	0.28950158	-0.5160846	0.004786278	-0.53162134	0.3746019	0.635071	0.4798622	-0.1907646	0.0727641	-0.4796431	0.9969103	-0.8045536	-0.55071354	0.87872046	0.14627643	0.658219	-0.46044055	-0.5840586	-0.46614948	0.27301133	0.8799625	0.33783796	0.56596947	0.50967675	-0.11035875	0.22665787	-0.5278898	0.3098779	-0.1965744	-0.051317267	0.3128535	0.3602846	-0.44091117	0.029274262	-0.051365178	0.21723288	-0.1926104	0.14628786	-0.10580626	0.29658255	0.46968594	-0.5774054	-0.84900516	-0.8926849	0.2823013	0.050772626	0.6338563	-0.516314	0.040848486	0.55657226	-0.23136081	-0.9973001	0.6371821	0.04317754	-0.9636079	0.3962941	-0.07270123	-0.7324879	0.27865368	-0.5634651	-0.25142968	0.3950462	0.34698066	-0.024014197	0.42135677	-0.38638508	0.9960913	-0.4080465	0.5262609	-0.053236563	0.039382137	-0.007594669	0.008205525	-0.50655466	-0.2608334	0.8924593	-0.9683541	-0.95553464	0.03466398	-0.14156513	0.9758349	0.14509541	0.6846701	0.26803803	0.3218647	0.13051209	0.3004929	0.19080606	-0.6772401	0.11605639	0.991492	-0.39497355	-0.3032933	-0.58795404	-0.084198885	-0.12074718	-0.16072392	-0.5006459	-0.18917567	-0.113187805	0.093764246	0.99911416	0.34994373	0.2559683	0.26779038	0.55454385	0.369474	-0.9907655	-0.48589122	-0.17265405	0.0834203	-0.5945244	-0.9999967	-0.5524557	0.8500305	0.13198088	-0.047243338	0.39595956	0.41773754	0.03545787	-0.6783178	-0.09857656	0.16925263	-0.93234944	-0.018024055	0.6140517	-0.29018995	0.3770075	0.3537693	0.6076841	-0.13221301	-0.91106045	-0.86712015	-0.49200746	-0.5934691	-0.83563155	0.44278818	0.7162247	-0.53452915	-0.11060808	-0.3399916	0.22298078	0.1286472	0.31047478	-0.56762385	-0.014485018	0.3522803	-0.33001155	-0.49362865	0.3204761	-0.9118818	-0.35058272	0.3130731	-0.6082166	-0.3287352	0.38487354	0.36412796	-0.0783481	0.47057268	0.59262484	-0.6835307	0.11085396	-0.44675523	-0.2636584	-0.3037647	-0.10450548	-0.42236146	0.7242103	0.56953853	-0.83792603	-0.13847913	0.8356198	-0.42281598	-0.32094058	0.22652195	-0.11362056	0.5303094	-0.08953984	0.26390192	-0.38442922	-0.65908015	-0.99972296	0.046466786	0.49220997	0.21256645	0.22319712	-0.062941246	-0.46156535	-0.44169056	0.40406492	0.18760695	-0.11325068	-0.27829584	-0.21068744	0.7893556	0.30943614	-0.980908	-0.024069669	-0.12796667	0.6072929	0.4556505	0.541874	-0.012537153	-0.6450443	0.6284244	0.44375452	0.76002944	-0.22254133	0.29211038	-0.82351625	0.16789941	-0.28109422	0.95179313	0.007724756	0.037700903	0.14217193	0.40851754	-0.77364784	-0.070601456	-0.101059236	-0.090140544	0.91055614	-0.07090844	-0.7554931	-0.023557559	0.078940734	-0.3839113	-0.5161357	0.8280744	-0.10158134	-0.37946135	-0.023790805	0.22400028	-0.5330655	-0.048428956	-0.2814672	0.495846	-0.26272422	0.45579475	-0.08927128	0.79009086	0.33707628	-0.13180181	0.99635273	-0.55599946	-0.22728951	-0.32486278	-0.19543591	-0.08820857	-0.5243164	0.5444663	0.074897	0.75785315	0.99770373	0.7837883	0.0359489	0.44054598	0.18503375	0.3969779	0.8491085	0.93774384	-0.32220346	0.28772423	0.96889824	-0.5150808	0.6869473	-0.20842625	-0.39400405	0.99999934	-0.9736115	-0.4707418	0.5305005	-0.54010206	0.42436963	0.1916587	0.39479637	0.5626126	0.49383786	-0.8659498	0.13827743	0.5407892	0.6674119	0.017937725	0.58366895	-0.47941557	0.5602699	0.5972928	-0.42676586	0.20743714	-0.57562983	-0.9999719	-0.46613753	-0.3027363	-0.76240414	-0.22727571	-0.6824752	0.23215123	-0.6731395	-0.71397614	0.22633259	0.22397862	0.005219212	0.12735963	-0.22058056	0.08342436	-0.4871055	0.09300785	0.40306535	-0.039614886	0.8852124	-0.019297676	0.56931096	-0.69371295	-0.6928057	0.64437807	0.15960805	0.06880967	-0.6105233	-0.8818045	0.33473372	-0.4675889	-0.57888865	-0.9504662	-0.35067663	0.6911161	-0.07885892	-0.34217438	0.34210214	0.8281597	0.9995789	-0.30634683	0.015441076	-0.4023761	0.15486446	-0.022396976	0.6860636	-0.563329	-0.07419488	0.36000904	-0.3027678	0.053710178	-0.37431365	-0.22881627	0.21110393	-0.10823585	-0.6422874	0.079033226	-0.99649173	-0.054645754	-0.000976726	0.4727262	0.71305794	0.29586	0.5842718	0.18216607	0.30369884	-0.07400467	0.41190147	0.00368354	0.27352405	0.015942883	-0.33996016	0.5427181	-0.39761096	-0.29992977	0.28656888	0.13438004	0.17072505	0.3197259	-0.6532977	0.6609814	-0.26927778	0.43752876	0.5420275	-0.48963025	0.7241535	0.074554875	0.039949376	-0.83560413	0.13222459	0.26494005	0.014246731	-0.49159157	0.65437365	0.28618744	0.7275161	0.38923484	0.017004466	0.99999976	-0.61382145	-0.93611234	-0.57677805	0.998753	-0.6934149	0.25422385	-0.9999445	0.654072	-0.65615785	0.034820404	-0.5896068	0.30383414	0.083360754	0.15162925	0.3940337	0.014361669	0.22999315	0.16597177	-0.1289981	-0.0684225	-0.39989614	-0.9999726	0.9999999	-0.6373359	-0.47767165	0.48215967	0.1497176	0.4837202	-0.12556437	-0.1619014	-0.40286413	-0.32254353	0.399994	-0.34224132	-0.5135897	-0.35358712	-0.2263949	0.042542346	-0.1769365	-0.5997916	0.21079142	-0.999744	0.6461745	-0.8585972	-0.48445967	0.113972835	0.58248687	-0.8116378	0.07617088	-0.20441219	0.21795757	-0.34482002	-0.71873516	0.5788015	0.9335942	0.36954618	0.21205802	-0.06327968	0.4210848	0.14794761	0.30267087	-0.17051734	-0.61064416	-0.37965414	-0.033707146	-0.8225128	0.6279556	-0.3396366	0.20762764	0.34346765	-0.113238834	0.15462784	-0.21247461	-0.6809867	0.16210908	0.43339145	0.9910904	-0.23663671	-0.02590984	0.2230675	0.09371296	0.34207612	0.999833	0.6363735	0.4241371	-0.0876405	-0.028812902	0.4668392	-0.1604555	-0.9931202	-0.47890028	-0.0595335	0.1885963	-0.5508993	-0.031378888
527	0	CNC(=O)Oc1ccccc1OC(C)C	0.25873038	0.114712834	-0.24495159	-0.0865616	0.30553716	-0.3419466	-0.47786722	0.07365048	-0.4313203	0.18729201	-0.14162631	0.02438903	0.210635	0.2861363	-0.022367883	-0.13121466	-0.098469794	-0.09226135	-0.23214096	0.40285358	0.32053635	-0.7333404	0.021671433	0.002002534	-0.39292344	0.52618873	0.313571	0.029571995	-0.16931282	-0.07063644	-0.24766807	0.15853645	-0.1396183	-0.52620757	0.22484055	0.016985424	0.58926874	0.5640178	0.8587831	-0.84527874	-0.9779309	-0.32310247	-0.03482464	-0.05516348	-0.101842724	-0.987759	-0.034563202	-0.13883135	0.9312939	0.70332783	0.07485981	-0.1131577	-0.038611613	0.27706453	-0.71415496	-0.015187094	-0.3759595	0.8647971	-0.07660382	0.20610158	-0.22639894	0.5380981	0.09377255	-0.48003247	0.04772919	0.15219696	0.70667005	0.06264144	0.021104345	0.09096437	-0.37838405	-0.99610204	0.331154	0.3413731	0.08648622	0.12103606	-0.7222071	-0.021670684	0.48584118	-0.9992195	-0.074876346	-0.324691	-0.89432615	-0.013751517	0.3206031	0.294239	0.09212927	-0.23941292	-0.11863199	0.29056227	-0.13590719	0.018726535	-0.35482663	0.043203536	0.98787594	-0.3055118	-0.17765261	-0.1296546	0.13975477	-0.536864	0.31114167	0.31579345	-0.07182251	-0.17637011	0.35191205	-0.69081813	0.7572268	0.2336858	-0.92339295	-0.087089695	-0.08494157	-0.20858164	0.15026052	-0.24658412	0.26727754	0.47199553	-0.17608982	0.7671724	0.999067	0.27886653	0.15783876	0.10755579	-0.115142964	0.000294426	0.051352944	0.25574467	-0.12770623	-0.45187104	-0.097692005	0.9969697	-0.112415805	0.009626061	0.33585826	-0.07735614	0.077838615	-0.9595958	0.015259465	0.33283567	-0.5849426	0.07979047	-0.98437506	-0.089966014	0.9601808	-0.06261097	-0.11219538	-0.037546415	-0.27524602	0.07678672	0.9382595	-0.50417817	0.4333505	-0.22178571	0.2669045	0.047992297	0.027297892	-0.10577985	-0.52790207	0.9954164	-0.592158	0.5284652	-0.98443514	0.08191226	-0.15525635	0.29839668	-0.13314371	-0.09050729	0.1273085	0.16409205	-0.49710953	-0.14471868	-0.5176961	0.00583214	0.7371844	0.0965253	0.31353453	-0.9670554	-0.5934226	-0.012799845	-0.36176312	-0.31333408	0.13282128	-0.8640099	-0.2147206	0.033862546	-0.6769822	-0.2792272	0.5396392	-0.004073035	0.42234206	-0.42010093	0.37994164	-0.08707494	-0.13027823	0.381702	-0.10046609	-0.28799358	0.482751	-0.8998862	0.42013967	0.026466219	0.6483039	0.026144782	-0.31803003	0.16867548	0.22772203	0.104972914	0.529524	-0.06495035	0.37669662	-0.9979352	-0.05498293	0.071994506	0.012508772	-0.016918965	0.45588428	0.26891363	-0.35199738	-0.071232386	0.16950637	0.31066668	0.55414456	0.08711616	-0.027080514	-0.61200964	-0.90636986	-0.20702718	-0.20958054	-0.37884027	-0.19867179	-0.14342509	-0.4610055	0.042630043	0.09542712	-0.5025309	0.000727676	-0.21731418	-0.46440494	-0.38374794	-0.003777581	-0.3073218	0.80334085	-0.08474933	-0.32670566	-0.29789767	0.539862	-0.42803547	0.49628538	0.32883736	0.4584212	0.08585515	0.75377667	-0.9979046	-0.5453504	0.28646243	0.3068216	-0.33692735	-0.5866673	0.63371277	0.19783603	-0.35822618	0.02302271	-0.381521	-0.62458414	0.023570573	0.31671977	-0.37623194	-0.5181157	0.5079398	-0.31825048	0.21251565	0.33294144	0.74631697	0.66303444	0.20188437	0.6425954	-0.8368982	0.6243432	0.7294776	0.08029144	0.2237563	-0.019649925	0.9993719	-0.6899229	-0.10491765	-0.35995457	0.094404906	-0.03070412	-0.5007087	-0.7633109	0.047145918	-0.23144124	0.9988215	0.3702868	0.8926361	-0.005022648	-0.2926931	0.9974854	-0.8563995	0.5011079	0.04778267	0.17033185	0.23736398	-0.099434726	-0.30636108	0.000517415	0.21068014	0.96402067	0.09379132	-0.20947559	0.55979854	-0.4321245	-0.045232754	0.27954856	-0.38123646	0.32872522	-0.18488108	0.1824891	-0.58501637	-0.9376645	0.48870057	0.38249105	0.42761797	-0.07274536	-0.6375702	0.6773885	0.622007	-0.16384892	-0.892751	-0.09668753	-0.014276566	0.05962402	0.13755205	0.20053855	-0.056805864	0.20260583	-0.64477396	0.1298064	0.09328441	-0.17090571	0.3798447	0.45064878	0.57579875	-0.5326982	0.86339116	0.44629914	0.37468013	-0.27061266	0.037656702	-0.20856482	0.72459096	-0.99272233	0.53286415	-0.045335274	0.41658604	0.16448866	-0.25595775	0.38090676	0.9995919	0.6567711	-0.31158423	0.028926762	0.28605765	0.47410363	0.17848404	-0.5498949	0.08651787	0.16246551	-0.45515853	-0.45165348	0.19019979	0.5233185	-0.3454497	0.17735241	0.7805017	-0.26088744	1	-0.61909205	-0.15916699	-0.06475135	-0.018977888	-0.67415655	0.092777155	0.07987336	0.032220922	0.098279364	-0.29276156	-0.4317768	0.3430354	0.2420341	0.6236443	-0.4511015	0.29943752	-0.037144613	0.31510705	0.012258135	-0.6691958	0.5005023	0.25607377	0.55750364	0.3872805	-0.4966169	0.08839472	0.35109058	0.5166792	-0.089997925	-0.41887668	0.061232857	-0.46879813	0.2414345	-0.2640393	-0.4234832	0.6550592	0.54850024	0.35661885	0.5043979	-0.077259496	0.99994177	0.18659195	-0.9838497	0.07041717	0.99977463	-0.20370106	0.22938976	-0.99753755	0.08426825	-0.43512404	0.39084092	0.036678545	-0.6720091	0.42694178	-0.13005145	0.50517964	0.34897587	-0.010439688	-0.5106782	-0.12234773	0.38181108	-0.42730096	-0.9999408	-0.9990215	-0.98721176	-0.19367856	-0.18123062	-0.25179723	-0.49607295	-0.1724719	-0.3556241	0.09524115	0.30624965	0.34035727	-0.7333642	-0.49236196	0.067106105	-0.2947739	0.58370435	0.07194991	-0.15208812	-0.9590432	-0.9998995	0.01078951	0.11643451	0.05805602	-0.45978913	0.1008202	-0.9025657	0.15571377	0.16537671	0.23528472	0.23472331	-0.4921087	0.22462632	0.9456164	-0.18898581	0.8171319	0.4406091	0.0571206	0.34978902	-0.5297753	0.07823085	0.65441847	-0.2537228	0.34983402	-0.07767097	-0.12147497	0.52687293	0.08142491	-0.13474163	-0.5604747	-0.24151295	0.59516674	-0.46521747	0.3815983	0.011255026	-0.052737974	-0.12951697	0.25156653	-0.5983597	0.15865436	0.27345997	0.9998065	0.58479446	-0.19995806	0.22030786	0.24484734	-0.121623136	-0.21252497	-0.72378194	0.36264065	-0.13209072	-0.3729823	0.27283937	0.4323425
528	0	CCCOc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C	0.98434305	0.13580891	-0.6315568	-0.3296274	-0.70906466	0.3912646	0.07855436	0.70684457	0.22203319	0.47124785	0.674464	-0.5443662	-0.000338119	0.4639794	0.06228185	0.49997267	-0.3502763	0.3556325	-0.68451935	0.07700591	0.5591056	0.81014264	0.53477263	0.28348944	-0.22118454	-0.7434743	0.7414094	0.19747104	-0.84450114	0.2991134	0.06348787	-0.7563251	-0.589881	0.23478864	0.6907107	-0.562026	-0.2834909	-0.32636836	0.999725	0.8443212	-0.8878334	0.23308021	0.08921015	0.508632	-0.6689777	0.5887906	0.2978068	0.28090623	0.92374605	0.90368664	-0.2644593	0.5937822	0.1818055	0.386651	0.68032986	0.5247089	-0.1869107	-0.9384725	-0.48413864	0.06262155	0.75464183	0.5005799	-0.048058216	-0.043145813	0.19074091	0.5636678	-0.3975916	-0.6679928	0.13094184	-0.5269208	-0.9357502	-0.99974245	0.36673242	-0.41837898	-0.8836106	0.45908144	-0.42878842	-0.13207091	0.65128833	-0.9999211	0.86394966	0.28024447	-0.9796121	-0.3013868	0.1418048	0.54462415	0.46313787	-0.51736826	-0.3407815	-0.01774186	-0.49866688	-0.7098895	0.25634578	0.35694113	0.9999967	0.13003165	-0.9545383	-0.12414907	-0.33119327	-0.07637172	-0.26211998	-0.34557354	-0.15501562	0.6565863	-0.9987599	-0.995821	-0.16431874	-0.7019478	0.94279146	0.5862263	0.44900346	0.17812212	-0.77232635	0.5740403	-0.35462636	-0.14824022	-0.61378294	-0.55842495	0.9572356	-0.65351933	-0.38498074	-0.33711743	-0.5315822	-0.2965924	-0.47466224	-0.5216725	0.29410285	-0.5535046	0.21586467	0.78049755	-0.41117966	0.23976497	0.17539896	0.29448193	0.20441017	-0.97969925	-0.8406708	-0.88397795	-0.38100737	-0.03381723	-0.99991727	-0.05446073	-0.95833135	-0.60881376	-0.5133934	0.3994159	0.7690277	-0.47561347	-0.9922093	0.4318695	0.20940572	-0.45090032	-0.7472545	-0.40670827	-0.6802085	0.6929961	0.15133263	-0.8270724	-0.61009765	-0.9798634	-0.20304877	0.18510664	0.11457402	0.023580382	-0.25561807	0.3580216	-0.5712726	0.33294377	0.2598138	0.16562054	0.61567897	-0.087919265	0.3028481	-0.7973376	0.58243966	0.8931101	-0.49038434	0.28726068	-0.04973788	-0.13550043	0.39882037	-0.99999446	-0.6635425	-0.83568233	0.76787657	-0.023986476	-0.0922427	-0.472895	0.15007152	-0.22059846	-0.33767104	0.04862137	-0.29313952	-0.30092865	-0.4596124	0.032967184	0.12176426	-0.7097801	-0.4586287	0.45435116	-0.16133279	-0.70844895	0.758965	0.42651898	-0.3620145	-0.10927906	0.76562047	0.4631666	-0.28873155	-0.9999259	-0.6235467	-0.84720355	-0.35913342	0.22089659	0.14098313	-0.20462999	-0.045515314	-0.45448732	0.06936255	-0.33784714	-0.41920054	0.18368642	0.92945105	0.34849024	-0.981274	-0.8065952	-0.038638696	0.6734496	0.10638672	0.09529308	0.11528865	0.3088102	0.026354665	0.627455	-0.47867042	0.061518125	-0.034784425	-0.35476953	-0.09405568	0.2266725	0.2588939	0.18467303	0.6215982	-0.41061133	-0.4684768	-0.1683257	-0.48291403	0.16268775	-0.41891894	0.37235183	0.7065651	-0.97589546	-0.911163	0.6079449	-0.71790254	-0.77815235	0.13414946	0.7956064	-0.19534387	-0.049892373	0.20965903	-0.012272746	0.4747202	-0.02006662	0.1675319	0.7068962	-0.13566494	0.9289091	0.9930141	-0.42917293	0.77015585	0.9922112	-0.31131527	-0.6825149	-0.16060781	-0.7353522	0.32992944	0.519847	0.057514425	0.6236311	-0.17643563	0.96477777	-0.36756533	-0.85791475	-0.15138604	0.021104624	0.42159557	0.53347766	0.2887782	0.23801179	0.74709034	0.45195246	0.15553804	0.7168164	0.87789804	-0.10845059	0.9999765	0.6621659	-0.59919935	-0.38759094	-0.16120777	0.83324933	-0.8062259	0.47942293	0.25059256	0.9263004	-0.9934702	-0.14225154	0.76903695	-0.43480387	0.62127197	-0.4122341	0.58916646	-0.5716059	-0.9978361	-0.059482533	0.5869234	-0.3300881	-0.99980265	0.04086355	0.07656267	0.59397787	-0.30837178	-0.6927667	0.94007206	-0.5025388	-0.69124544	0.20091444	0.66795075	0.011670985	0.7114218	0.26123792	-0.18439886	0.46802607	0.34472147	-0.98292345	-0.1985857	-0.12158825	0.10638556	-0.49882537	-0.041758932	-0.2891974	-0.22262235	0.42529616	0.4686462	0.30944395	0.14852141	-0.15550657	0.3605288	-0.94680417	-0.24215499	0.3680135	0.760668	0.6173689	0.26735494	-0.5110089	0.4380845	0.9999276	0.46103573	0.8341285	0.18028209	0.40368104	0.652776	-0.2769669	0.34967744	-0.03849991	0.2690058	-0.47820544	0.89689547	-0.6792481	-0.6725163	-0.43256724	0.3080252	-0.824887	-0.7730054	0.9943366	-0.85179114	0.04968829	0.14379306	0.6984031	0.41779047	-0.21309234	-0.360629	-0.36146966	0.51184106	0.2467302	0.27640596	0.26243147	0.5067957	0.78045243	0.066029795	-0.9337884	0.5140773	-0.123660244	0.24250112	-0.82978714	0.2558773	0.34813315	-0.3803581	0.91177046	0.99972904	-0.4565913	0.8365722	-0.46297887	0.2513541	0.36499274	0.033032086	0.98713994	0.6730712	-0.58104837	-0.30252406	-0.5987465	-0.19874483	0.2501602	-0.13204886	0.40603474	0.9999992	-0.23127599	-0.99728465	-0.52598655	0.9979521	-0.26284617	-0.014717962	-0.99992365	-0.6472821	-0.92339534	0.6346266	0.00466638	0.6930712	0.24816486	0.13775747	0.955383	0.19946386	0.10775691	-0.62926847	-0.66309077	-0.58092636	-0.5750425	-0.99972284	0.99401724	0.09403154	0.29480892	-0.6678751	-0.54978746	-0.13431276	0.7237134	-0.8204436	-0.75028	-0.44526696	0.44968295	-0.1249938	0.6576911	-0.68020725	-0.4393936	0.15024744	0.025129355	-0.28202835	0.8424337	-0.99894726	0.044665433	0.30582348	-0.49126545	-0.693061	0.20680456	0.99671274	0.77969235	0.57216924	0.4146674	-0.25634617	-0.16936573	-0.52509356	0.9549292	0.11416803	0.22125724	-0.4483276	-0.83636147	0.23114672	0.9131741	-0.31713197	-0.47940198	-0.67886585	0.9827307	-0.5115698	0.45203835	-0.76291424	-0.39925945	-0.10497796	0.3526589	-0.09426212	0.6343398	-0.50103843	0.6307114	-0.76015306	0.99842376	0.63904816	0.1065829	-0.004779991	0.8136007	0.07830516	0.9999234	-0.11732219	0.20103863	0.08333741	0.11272104	0.028779853	0.2851162	-0.9987386	-0.34918845	-0.5072378	-0.23913054	0.5508189	-0.37344292
529	0	CCCOC(=O)c1ccc(O)cc1	0.44224623	0.005687972	-0.03308245	0.41968372	0.5079395	-0.24521065	-0.44563192	-0.1632297	-0.11650411	0.09043098	-0.43528035	-0.44668075	-0.32550624	-0.71030915	0.26506254	0.56066847	0.13238326	0.11149407	0.15384649	0.003024699	0.40700164	-0.8068831	0.32911664	0.15115844	-0.44745088	0.38466415	0.21521641	-0.060655694	0.25579494	-0.003239106	-0.14369227	-0.03427569	0.09771552	-0.169297	0.15002652	-0.34794524	0.2408728	0.4037466	0.36975142	-0.8952998	-0.9968855	0.12628351	0.013951723	-0.19158454	0.09673147	-0.9931305	0.18228842	-0.14795528	0.9850624	0.1493763	0.60642886	-0.109824784	-0.08775384	0.4093141	-0.82290524	0.29572627	0.10066626	0.9511492	0.35629255	0.18467994	0.012568449	-0.45668498	0.31830722	-0.507821	0.17070204	0.7992398	-0.097332716	0.32810917	0.26189917	-0.164533	0.557539	-0.99562097	0.24052729	0.27264386	0.48800248	0.6506018	-0.568533	0.02150101	-0.205283	-0.99929136	-0.7280899	0.12910526	-0.8515933	-0.45503756	0.35428885	0.36309844	-0.005843872	-0.076871954	-0.37205732	-0.5585957	-0.20388882	-0.3454565	-0.25378087	0.103746496	0.9778598	-0.18397242	-0.13554114	0.036472145	-0.053648695	0.18633696	-0.07732569	-0.10808864	-0.18091275	0.147471	0.84106594	-0.55663985	0.45983607	0.19512953	-0.9004488	0.5684493	0.45410714	-0.28481624	-0.37799415	0.01588213	-0.08191575	0.20109728	-0.26332998	0.4202455	0.9991384	0.13723534	0.044572152	-0.09498939	-0.09671796	0.3412118	-0.54811585	-0.18109936	-0.11594943	-0.5010911	-0.35821855	0.9974423	0.13594785	-0.023061452	-0.42537984	0.18580794	-0.43474382	-0.5498219	0.2786264	0.2914924	-0.56363994	-0.35667205	-0.9965397	0.004875066	0.9675247	0.3790519	-0.30414534	-0.22884436	0.21105018	-0.25903282	0.98644733	0.31420287	0.15034689	-0.6990142	0.092084385	-0.12536773	-0.31327078	0.20627174	0.20665158	0.99846745	-0.34913084	-0.7460267	-0.9924106	0.058506697	-0.30378333	0.40429193	-0.23489298	0.16914724	0.087597325	0.4297928	-0.23019747	-0.20209542	-0.24851891	-0.023989998	0.5566481	-0.3828781	0.061204813	-0.97007364	-0.6950741	0.26607418	-0.6544756	-0.327589	0.62756217	-0.86350775	0.42270172	0.23817767	-0.8564775	0.118677765	0.6588398	0.1184067	-0.32332715	-0.30002946	0.23337288	-0.16948365	0.058397457	0.1021289	0.072568625	-0.3456085	0.23690219	-0.6666755	0.24690664	0.19169886	-0.4617994	-0.50499576	-0.021236412	0.3472503	0.267162	-0.34165755	0.40094104	-0.20184699	-0.15441096	-0.97064745	-0.48093686	-0.19062294	0.47859544	-0.43203017	0.09991068	0.35519704	-0.1861273	-0.121651985	0.02379746	-0.15600765	-0.17309216	-0.2639032	0.122288235	-0.2891421	0.9993218	0.013274292	0.10955332	0.35286465	-0.28925812	0.10634725	-0.11514471	0.05165229	0.39442915	-0.08352643	0.071619	-0.24940945	-0.20195216	-0.31018272	0.30946434	0.4539672	0.9042012	0.10084234	0.38847774	-0.6080672	0.3127191	-0.088306665	0.16911732	0.37210497	-0.43770158	-0.13046055	0.10627754	-0.9976873	-0.29295814	0.51688915	0.07532912	-0.39154455	-0.40815696	0.36115786	0.43708748	0.24933821	-0.07464009	0.54145926	0.117871545	-0.32457262	0.4296225	0.080042966	0.5373665	0.40478182	-0.47251156	-0.027701113	-0.29088348	-0.5951334	0.14650059	-0.27126008	-0.17457257	-0.14932412	0.32508054	0.37214723	-0.44156316	0.7327933	-0.17585328	0.9995075	-0.25593746	0.22680376	-0.20625097	0.041450586	0.09551535	-0.6398882	0.424576	-0.030414015	0.42274576	0.99946517	-0.55157745	0.72336274	0.006453786	0.40215462	0.9982361	-0.8085193	0.18509802	0.40392065	-0.20470946	0.33450222	-0.24350265	0.09842954	-0.44422218	-0.5027197	0.98993343	0.20957363	0.14387381	-0.035692714	-0.17460933	0.13622399	-0.12759733	-0.49072987	0.36989835	0.10025439	-0.39979294	-0.32749867	-0.97604805	-0.59207475	-0.008740664	0.31780505	0.20150892	-0.81609976	0.1193859	-0.16608329	-0.08923547	-0.8762452	0.37768304	0.032244388	-0.036239173	-0.21777877	-0.101531126	-0.118311666	-0.10240692	-0.6311904	0.31433806	0.086798005	0.24848936	-0.4328977	0.2038388	0.24478538	-0.08033276	0.8182136	-0.117615074	-0.22569154	-0.16205765	-0.05233903	-0.34104097	0.90758413	-0.9952515	0.43881947	-0.28598654	-0.14237611	-0.01571991	0.014142815	0.6219075	0.9983248	0.3677757	0.23703994	-0.026204888	0.5014111	0.45262796	-0.36465433	-0.5679691	0.29242998	-0.07837986	-0.4780665	0.35283536	0.44014272	0.001733887	0.21595427	-0.35536873	0.91671324	0.64101094	1	0.23979546	0.43555266	0.16552727	-0.36452532	-0.8130127	-0.49037966	0.121498555	-0.13530436	0.34577677	-0.30982304	0.6184617	0.37126806	0.42684594	0.5897451	0.019279886	0.043292247	-0.1512129	-0.62501335	-0.24935561	-0.43485248	0.03127636	0.018974539	0.3230724	0.56564623	-0.5329517	0.32851547	-0.1453502	0.11064362	-0.25501496	-0.30061305	-0.3750231	0.002887365	-0.26876795	-0.3696841	-0.3319271	-0.035015598	-0.40615338	-0.22515777	0.59704053	-0.16587158	0.9999464	-0.41326016	-0.97838026	0.03829274	0.9993918	-0.2692634	-0.5253004	-0.9975117	-0.14797366	-0.003596935	0.26086548	-0.17732112	-0.14792234	0.49904126	0.078993246	0.5889271	0.4591318	0.3010382	-0.36479613	0.29668707	-0.089462884	-0.16982903	-0.9999405	-0.9991389	-0.9871803	0.4148243	0.16735865	0.16736665	-0.05278256	-0.39880183	-0.56239957	-0.4241379	-0.23028381	0.32156542	-0.8230334	-0.40859795	0.01670997	-0.7027377	0.6011069	0.012306887	-0.02567166	-0.98092383	-0.99990785	-0.44779783	-0.54609436	0.08199554	0.3091142	0.1336519	-0.92254865	0.25756818	-0.2725337	0.19476591	-0.6257841	-0.046298414	-0.23248605	0.9512124	0.099407785	0.79238	0.23844308	0.5546043	-0.3772108	-0.5512721	-0.35063493	-0.19766109	-0.3392309	0.5641254	-0.007396348	-0.20026791	-0.38488787	-0.5546347	-0.0712448	-0.57567364	0.34873402	0.3847507	-0.61772776	0.15745653	0.252822	-0.6515695	0.3347507	-0.54931104	0.202927	0.15770462	0.38617733	0.99991924	0.13490453	0.3414007	-0.4707613	0.54507554	-0.15660192	-0.06262439	0.02141431	-0.34305182	-0.028628284	-0.39289656	0.43178812	-0.27308983
530	0	C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1	-0.89817005	-0.34306657	-0.12627627	-0.23304528	-0.6188171	-0.28051385	-0.34055054	-0.39240402	0.4614869	-0.57281405	-0.46172965	-0.16478744	0.3685265	-0.52271223	0.34574494	-0.8113907	-0.30863044	0.094900884	-0.22272228	0.23060091	0.2936633	-0.54164237	0.3776244	-0.21219629	-0.10960572	0.5655744	-0.30129755	-0.09224419	0.72268116	0.020143826	0.39376417	0.53619313	0.6408865	-0.005406012	0.41850865	0.08882092	0.098471045	0.5303751	0.9597292	-0.7919066	-0.9943832	-0.2758443	-0.34294412	0.14644922	0.14954245	-0.98524284	0.001240876	-0.1104579	0.3739376	0.03500707	0.45778555	-0.07603337	-0.08685029	-0.5930805	-0.81935936	0.6350403	-0.49486712	0.6101354	0.50525326	-0.24746373	0.51584053	-0.4757823	0.30601424	0.3628767	-0.12946947	0.1831034	0.64980173	0.71347034	-0.094524525	0.6175047	-0.7634489	-0.9602478	0.110703304	0.118239745	0.67128253	-0.3747395	0.35568964	0.4833084	-0.57723755	-0.9998298	-0.46402842	-0.044019196	-0.826019	0.16108188	-0.32539934	-0.6830795	0.08758259	-0.22640356	-0.5896476	0.2129068	-0.448328	-0.67420465	-0.28762835	-0.1864717	0.9918497	0.45670593	0.7135895	-0.08603538	0.085113764	-0.24046637	0.5471196	0.35440654	0.79337925	0.59075826	-0.33023086	-0.076170616	-0.24818996	0.6793502	-0.9547291	-0.17692329	0.42979905	-0.116402835	-0.001576057	0.44484216	0.42873645	0.27683547	0.43446803	0.518422	0.999129	-0.098393895	-0.6758393	-0.3441446	0.31348407	0.7032987	-0.07030191	0.082998954	-0.383764	0.65479374	-0.21706218	0.9998481	0.11424239	-0.57869387	0.16010347	-0.11472747	0.11636929	-0.981528	0.5793091	0.57018423	-0.65211123	0.5439922	-0.9968829	0.297985	0.9761882	0.5444928	0.27661613	-0.29016066	0.26710588	-0.34831062	0.90310055	-0.26919153	-0.3234313	0.7763538	-0.3180609	-0.34188905	-0.80228657	0.3429206	0.21124832	0.98915863	-0.6076004	0.7364371	-0.97232634	-0.09087076	-0.37073585	0.2576627	0.7748377	-0.09370716	0.7055929	0.36252135	-0.2230359	0.14159018	-0.2282907	-0.040624663	0.050765947	-0.55310935	0.064536065	-0.9495995	-0.7023694	0.31507835	0.13123481	0.34549466	0.44178414	0.07137019	0.0965268	0.11066274	-0.70834476	-0.40678048	0.6464688	-0.29835984	-0.12673369	-0.6712696	-0.57651323	-0.17794187	0.5662874	0.019452935	-0.017286384	-0.17950161	-0.27226394	-0.8797705	0.4717554	-0.35537028	-0.008955476	0.06634063	-0.36154637	-0.51513857	-0.09253904	-0.39642525	0.29083222	0.22369446	0.13638066	-0.9984629	0.05397604	-0.12944074	0.7197111	-0.21232077	0.26592416	0.7212062	0.29896152	-0.7814112	-0.5020418	0.36062542	0.49207717	-0.8522835	-0.4937595	-0.05786489	-0.856119	-0.17861924	-0.002938867	0.293286	-0.32051137	0.00506566	0.17366482	0.5260995	0.566432	-0.21237722	0.3424864	-0.15767017	0.38300794	-0.2214762	-0.26584285	-0.5593809	0.85105854	0.5384692	-0.00566061	-0.62707657	0.003278586	-0.56867236	0.047367524	-0.0813392	-0.18756233	-0.39996323	0.63302255	-0.9987777	-0.26618573	0.35233223	-0.17082022	0.01816473	-0.2655487	-0.29013863	0.23231356	-0.17982	-0.65512663	0.107939586	-0.3853196	-0.27516574	0.6232791	-0.3422106	0.3910185	0.20279402	0.49925724	-0.27777788	-0.3298068	0.5756551	-0.16619644	0.15126249	-0.59575033	-0.16858263	-0.41894814	-0.2526798	0.31075755	-0.5192878	0.54220885	0.9997208	-0.22724496	-0.20481801	0.16166505	-0.3833723	-0.31108165	0.0822708	-0.6970372	0.065849826	0.5458481	0.99832934	-0.60124105	0.7062481	-0.52619165	-0.4619185	0.9956299	-0.9801139	0.5648095	-0.1586947	-0.3891281	0.4143912	-0.08491959	-0.47764066	-0.5689881	-0.1795529	0.79083824	0.37479618	0.3798053	0.63953084	0.33931023	0.33280414	-0.19245371	-0.4882359	0.80585295	0.026603099	-0.4547282	-0.14696392	-0.96602833	0.09903508	0.25672948	0.54478925	-0.15164937	-0.18696728	-0.5612441	-0.2687087	0.26578692	-0.95694876	0.11965809	0.6245886	-0.74057734	-0.23069046	-0.22152688	0.3644803	-0.12773317	0.22737226	0.002370158	0.4459206	-0.060689785	0.4318869	0.25637954	-0.7658643	0.50666267	-0.14444488	-0.78738916	0.57224756	-0.64011914	-0.059481896	-0.27233285	0.51098895	-0.99556035	-0.04220728	0.2271807	-0.6559483	0.41176698	-0.5409428	-0.15523477	0.9997416	-0.61382794	-0.8865558	-0.027007865	0.52573353	-0.15159626	0.430507	-0.8777228	-0.50750744	0.6701839	0.15641238	0.44337678	-0.29170576	-0.25078663	0.24600317	-0.18742913	0.8160584	-0.34286785	1	0.37322155	-0.5089187	-0.43843803	-0.19071779	-0.7973871	-0.56303096	-0.52810407	-0.32817444	0.558313	-0.2063756	0.39072922	0.064057656	0.09914375	0.4895962	0.11391045	-0.101465374	-0.12425009	-0.22001113	0.7556204	-0.8516435	0.37833363	-0.072949134	0.07270097	-0.19760486	-0.5675457	0.42314202	0.1557491	0.07645686	0.09963251	0.11872193	-0.56090057	-0.34994328	-0.4250549	-0.25927392	0.5940353	0.070648745	0.038638845	0.015181781	0.31642497	0.35022354	0.9999326	0.13687444	-0.9368878	0.33752862	0.9999311	-0.61979574	-0.3781199	-0.9991337	-0.46344188	0.3940699	0.40543243	-0.25137234	-0.11767381	-0.32133973	0.0607484	-0.43434376	-0.32430547	0.2151743	0.1310713	-0.43284068	-0.054882847	0.82580656	-0.9999952	-0.99920714	-0.94802487	-0.015323447	-0.37777117	-0.38584355	0.08397595	-0.81176704	-0.8219087	0.08599131	-0.27869207	0.62482053	-0.7077052	-0.24484718	0.25430778	0.38565785	-0.41922727	-0.047824323	-0.57295966	-0.7559764	-0.9999703	-0.019968897	0.04319773	0.025743874	0.52238804	-0.37319443	-0.9829822	-0.18000853	0.44311056	0.36488342	0.6722456	0.5478837	0.87269205	0.8650724	-0.09771621	0.9012374	0.067398414	-0.20293027	-0.25963157	-0.4105202	0.03129255	-0.39076674	0.100654826	-0.55411625	0.8692565	-0.27779347	-0.10684302	-0.48834026	-0.17751886	-0.15090218	-0.2943378	0.6764016	0.087693356	-0.3513731	0.3716796	0.6730106	-0.4656104	-0.44688523	-0.42090708	-0.109829284	-0.009403023	0.99999064	0.6633116	0.24504273	0.2218706	-0.053384673	0.48266068	-0.015379706	-0.76512426	-0.05330878	-0.012260104	0.82152	0.664339	-0.24439168
531	0	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2CCC(F)(F)F)n1	0.8165813	0.49694812	0.04194012	0.29052055	-0.22585027	-0.002430177	-0.3005116	0.14270265	0.37289417	-0.3138781	0.34260562	-0.10064026	0.77954537	0.87878805	-0.43706512	-0.80171293	-0.76918584	0.6771296	-0.31229922	-0.73732036	0.6658371	0.5565967	0.318513	0.5882583	-0.18297103	0.13704824	0.56018597	-0.46045536	0.007950529	-0.111764506	-0.4487712	-0.25683913	-0.49175143	-0.1716378	0.29084852	-0.039206773	-0.17507076	0.31010017	0.99964845	0.40486795	-0.45698404	0.5391481	-0.108662345	0.21464783	-0.30615988	0.4800676	0.8134889	0.18745609	-0.6632298	0.67335945	0.45864242	0.42723092	-0.25135863	-0.50726205	0.22593246	0.43924677	0.3886726	-0.8839313	0.044964608	0.4214661	-0.12684035	0.21604422	0.65338254	-0.14478014	0.16770948	0.21085006	0.3728756	-0.38027605	0.27144384	-0.2478458	-0.9834929	-0.9972169	0.25615	-0.39200303	-0.60315824	0.46653843	0.022413382	-0.54920834	0.36441085	-0.9997425	-0.27086443	0.11978227	-0.88864136	0.07905396	0.080344304	-0.5410924	0.76228267	-0.031862076	-0.26163134	0.32898563	0.031776566	-0.45155033	0.65620065	0.12768698	0.99997747	-0.26785773	-0.5424993	0.3945426	-0.5560545	0.50492334	0.2569529	-0.7521604	0.21633938	0.96005684	-0.999294	-0.98966736	0.6039408	-0.72208583	-0.9998209	-0.53016675	-0.552368	0.25679237	-0.7994141	0.40851164	0.05993764	0.0284674	-0.002117131	0.54835904	0.92779756	-0.1637937	-0.57735103	-0.4964614	0.4938396	0.53802294	-0.34805876	-0.5775035	-0.6069819	-0.58825576	0.36948228	0.9893385	-0.316506	0.070646875	0.41176388	-0.14745831	0.28117377	-0.9932979	-0.5620084	0.11460749	-0.53727126	0.7705844	-0.9999856	-0.3188085	-0.6966507	-0.5481021	0.13291742	-0.460408	0.39103916	-0.5837176	-0.9949466	0.21933733	-0.52325076	0.89914036	-0.30512264	-0.52455	-0.6671851	0.64994967	0.13859707	-0.9040349	-0.5185797	0.87927043	-0.06845052	0.14419284	-0.3102346	0.062319282	-0.43870297	0.110297024	-0.6446535	-0.27967805	0.02139401	0.050490946	-0.24601744	-0.46847796	0.7073319	-0.33773044	-0.18083827	-0.22098632	0.18091983	0.12691915	-0.727742	0.010413806	0.42135397	-0.99898124	0.29611138	-0.74023616	0.74715537	-0.27242246	0.2991984	0.01975017	0.11212548	-0.06803238	0.5579738	0.3394492	0.24591824	-0.740001	0.16323486	-0.6816215	-0.034521777	-0.8620654	-0.1441035	0.18786661	0.83332753	-0.1615012	0.2801714	-0.54515916	-0.11304574	-0.26294702	0.8465422	0.07267848	-0.09543873	-0.9999459	0.2660529	0.08857267	0.067105465	-0.14258741	-0.12119641	-0.69681656	-0.5360554	-0.32804656	-0.21447651	0.26209825	-0.7125459	-0.24182475	0.7502323	-0.21378689	-0.8994305	0.35612744	0.008463834	0.2508483	-0.10364301	0.10457923	-0.56284213	0.13158008	0.44645292	-0.03062422	-0.21233985	0.79072464	-0.36700583	0.5686159	-0.71383995	-0.045213815	0.8288319	0.26843512	0.40093428	-0.46364358	-0.36285162	-0.33223814	0.45210817	0.653232	0.48107156	-0.11010786	0.6590882	-0.98038226	-0.68193936	0.4493455	-0.045167554	-0.19132067	0.18092163	-0.303427	0.16134834	-0.14640024	-0.049306463	0.077509694	0.5233856	-0.23733997	0.15032487	0.51587003	-0.62780637	0.17473888	0.79761875	-0.1842433	-0.017067995	0.995542	-0.27245423	-0.1407448	-0.35770127	-0.7576013	-0.5241424	0.84003484	0.7169935	0.25920433	-0.014267125	0.9753051	-0.7349311	-0.30374014	0.14284809	-0.017173875	-0.60428715	-0.8027172	-0.9989152	-0.29161215	0.6113953	0.3165258	0.17003433	0.28996855	0.86727095	-0.18888286	0.999921	-0.6065023	0.34219417	-0.26221532	-0.7423579	0.04884792	-0.7536075	-0.096318945	0.8483529	0.9351184	-0.99598515	0.35627973	0.8340106	-0.19917326	0.585201	0.5015876	-0.22211783	-0.17851691	-0.9004415	-0.15069413	0.41424066	-0.23024052	0.9908708	0.41250747	0.75199354	0.50318116	-0.16166466	-0.75396675	0.31168622	0.4397806	0.11374337	-0.37416697	-0.32876256	-0.52085763	-0.541009	0.26219645	-0.13332367	0.10766056	-0.19007239	-0.7930854	0.40846932	0.08807932	-0.38584647	0.33870316	0.5407121	0.44322783	0.67394155	0.55494696	0.5296201	-0.60620975	0.8982473	-0.17367369	0.92312455	-0.97666484	-0.49562263	0.20625	0.42042917	0.4895979	-0.017103361	-0.16309881	-0.186559	0.9996922	-0.11812787	0.13495302	-0.069786444	-0.018164232	-0.4289976	0.85360914	-0.036458574	-0.6468401	0.5270139	-0.23139556	0.22095622	-0.41923678	0.20671417	-0.5410582	0.3790089	-0.80436033	-0.47948572	0.987136	-0.59644264	0.07180749	-0.4254155	0.299047	0.3035936	-0.03553624	-0.64543796	0.5002894	-0.31474254	0.23356088	-0.22127414	0.17651525	-0.117383964	0.6805573	-0.05372444	-0.51566106	0.0460547	0.52412134	0.8915004	-0.76288325	0.32408437	0.6824057	-0.77346075	0.77341413	0.9952462	0.49098325	0.59344417	-0.09692063	0.006599365	0.10654415	0.5144227	0.5408294	0.48838222	-0.65598696	-0.055965863	-0.31795174	0.64777786	0.14335772	0.39083785	-0.7514814	0.86112434	0.18436871	-0.82489336	-0.66416085	0.99909425	0.47073537	-0.38990074	-0.98324823	-0.45987943	-0.84609556	-0.2962335	0.09981315	0.049795855	-0.3154797	0.7289724	0.51668054	-0.605084	0.43713778	-0.11379619	-0.70846754	-0.77275753	0.7014717	-0.99991095	0.9973174	0.55268925	0.47310925	-0.37784055	-0.5370477	0.18900666	0.3839595	-0.77215534	-0.631658	-0.18663222	0.5620347	-0.42445338	-0.47598603	-0.23452654	0.28801867	0.26207724	0.6432127	0.10843182	0.8634575	-0.99897975	-0.08462346	0.41491258	0.16497207	-0.6121581	-0.026752932	0.87995154	0.67182505	0.8051168	0.29276642	0.60649884	0.027161598	0.013419402	0.9744525	0.40459785	0.82027656	0.121646106	-0.80775404	-0.6214345	0.23210569	-0.18564348	-0.36279026	-0.90839636	0.5991674	-0.31620625	0.0218717	0.33002716	0.7278378	-0.68925023	0.112348095	-0.5151141	0.76124686	-0.62133497	-0.3875781	-0.36998454	0.99911076	-0.12599513	0.31936947	-0.6133931	-0.06122876	-0.089026354	0.9999841	0.054789755	0.08160617	0.49058896	0.36010537	0.46350384	0.33337173	-0.99862033	0.7406979	-0.8461349	-0.5405887	0.19657117	-0.3202415
532	0	CC1=NNC(=O)N(N=Cc2cccnc2)C1	0.059751924	-0.62899035	0.5993896	-0.5294187	0.69838715	0.12836546	-0.3299125	0.63129735	-0.3370748	-0.69287527	0.25129578	0.24080256	0.41504538	-0.34228337	-0.18909201	0.24032778	0.20276317	-0.3290885	-0.48769602	0.23117961	0.70890886	-0.2635599	0.6505707	0.25621554	-0.6657907	0.20893618	0.83636236	0.74787205	-0.4624069	-0.30141756	-0.45699844	-0.27536392	-0.33992797	-0.11327805	-0.025469081	-0.26318967	0.32298625	0.18447344	0.9245627	-0.74713856	-0.98774093	-0.70736927	-0.2532285	0.50398344	0.18083982	-0.9589033	0.54362977	0.39337492	0.8908687	-0.5039993	-0.55190176	-0.51362914	0.6906367	-0.39570427	0.30490753	0.8335412	-0.44670382	0.8027262	0.13032266	0.41823882	-0.276314	-0.6653364	0.3878306	-0.40224496	0.14202395	-0.5812885	0.74974024	0.32288516	0.16234198	-0.11767168	-0.82438767	-0.9991086	-0.49860987	0.22117734	-0.46727106	0.5170269	0.55648345	0.5042067	-0.30651942	-0.99969894	-0.06583261	0.045648973	-0.7256126	0.4113448	-0.09154997	0.5880009	0.46621978	-0.047906972	0.084031515	0.46771005	0.39428914	-0.3277158	0.4053385	0.49152607	0.99961936	0.3634276	-0.820221	0.8314761	-0.61483896	-0.41412404	-0.5316218	-0.49159765	0.012608341	0.853998	-0.2995885	-0.75402755	0.21523753	-0.58060664	-0.871604	-0.36154103	-0.18911532	0.10482096	-0.4594033	0.4469142	-0.37180442	-0.46456438	0.4432659	0.21625683	0.9990719	-0.69084096	-0.27593327	0.31162974	0.38168058	-0.76292944	-0.44896907	-0.10150022	-0.42091364	-0.27598003	0.5490035	0.9503554	0.4668768	0.30337632	-0.60604644	0.65447193	0.5568913	-0.93703866	0.45521897	-0.7883839	0.016198596	-0.7980821	-0.9999847	0.28223723	0.76598907	0.0955877	-0.03900362	0.22836648	-0.036890425	-0.6702712	0.66409266	0.36591527	0.011040215	0.54532486	-0.08651898	-0.3344147	0.66177475	0.11538593	0.17637934	0.992098	0.2256714	-0.5512551	-0.9841612	-0.4064081	-0.0223725	0.032380298	-0.47235292	-0.42647874	-0.19609809	0.10888052	0.1077234	-0.51838267	-0.08874388	-0.54158205	0.8938158	-0.23191231	-0.11009554	-0.017256394	-0.30201715	0.5096474	-0.23494878	-0.45443717	0.21877527	-0.9751694	-0.6619129	0.56679857	-0.3915039	-0.27560586	-0.20548442	-0.24595097	0.49367887	0.30091718	0.36964574	-0.065521404	0.16665226	0.27377698	0.85517585	-0.186207	-0.3867671	-0.27402952	-0.07787142	-0.021536876	0.08415428	-0.25985512	-0.016418159	-0.004286728	-0.027832927	-0.026311575	0.19071354	-0.08434678	0.19595511	-0.9972364	-0.21965334	-0.78160125	-0.36303726	0.3363667	0.046883382	0.04202028	0.6358568	-0.7934881	-0.009633123	-0.23731667	-0.031705465	0.08489473	0.2649409	0.006001249	-0.96186054	-0.47363824	0.48013553	-0.35900235	0.102418594	-0.022702085	-0.3158635	0.098948225	-0.002073739	-0.23644838	0.09891646	-0.6768453	0.39219624	0.045530483	0.79367554	0.11477385	-0.09375069	0.32872295	-0.51977146	-0.60210264	0.068645164	0.81175184	-0.43017715	-0.10366844	-0.5795076	-0.030267289	0.6163009	-0.9736123	-0.50647026	0.060242463	0.22765413	0.2588242	0.027876355	0.22369462	-0.061797038	0.15427044	-0.13747807	-0.12173748	0.28878123	-0.31518817	0.44587854	0.082334585	-0.4117104	-0.05094067	0.8900456	-0.078023806	0.16094846	0.99382514	-0.54872453	-0.6901459	-0.474473	0.37470412	-0.106132515	0.15560666	-0.39647636	0.40787324	0.3535721	0.9996376	-0.18038385	-0.5104428	0.59309834	-0.4673482	-0.2598137	-0.5861811	-0.7249413	0.49925736	0.16657172	0.9988136	0.32482162	0.15093607	0.7090297	0.056686956	0.99999106	-0.348664	0.13470197	0.5138791	-0.26615632	-0.09299673	-0.37160578	0.001126365	0.6025759	0.6891154	0.87657124	-0.10991438	0.62466425	-0.8734018	0.1692937	0.576535	0.30214816	0.4292368	-0.06590108	-0.055027887	-0.29174718	0.49420404	-0.98816	0.5585116	-0.09883349	0.5689836	0.30110303	-0.06611228	-0.1203656	0.030625172	-0.67200714	0.057138253	0.05953709	-0.5158234	-0.010138417	0.19718172	-0.7563259	-0.36988235	0.56614643	-0.89334416	-0.22928356	0.23223266	-0.52756214	-0.3640046	-0.18580213	-0.018219331	-0.15726165	0.6974844	-0.26898357	-0.27742955	0.5622242	0.2818639	0.20430891	0.586314	-0.989742	-0.09353846	0.7286648	0.3140397	-0.21601038	0.7476183	0.1633237	0.99893767	0.21870111	0.4240258	0.21877663	0.6023024	0.23925619	0.79383355	0.14743479	0.54982734	0.20097019	0.7329007	-0.7299321	0.1704561	0.15591227	0.37974817	-0.2328604	-0.16891706	0.6637805	0.9964197	-0.52392936	0.1966309	-0.2609115	0.0728377	-0.5569613	0.57578063	0.043006137	0.28454846	-0.09129895	0.60305905	0.3249021	0.6579669	0.4605178	-0.53866214	-0.32269916	-0.595731	0.2535149	0.1493442	-0.1384296	-0.059700005	0.05926461	0.29097784	0.24015276	0.5632577	0.7404349	0.7510751	-0.11808767	0.086690225	0.021208096	-0.10581447	-0.16054153	0.552574	0.054105807	-0.25191066	0.6592438	0.3819118	0.29229128	-0.249468	-0.66279054	-0.6198204	0.9999752	0.116045624	-0.97887945	-0.14725757	0.99864596	0.43780395	-0.04543787	-0.99892503	-0.13815853	-0.4788793	-0.27135366	-0.692368	-0.3971344	-0.1187772	0.52138644	0.898179	-0.47830218	-0.735838	-0.67665446	0.2248203	-0.16030973	0.5830272	-0.9999798	0.99585086	-0.9735042	0.3727159	0.4268355	-0.1574731	-0.14757545	0.67956305	-0.7577286	-0.23437633	0.17543074	-0.18667692	0.13623838	-0.29084545	-0.74596435	-0.53414905	0.57306284	0.16494586	-0.22687496	-0.9232321	-0.9999553	0.53594416	-0.34869903	0.017515969	-0.015550149	-0.6530086	-0.002630056	-0.4680778	0.65439844	0.13369098	-0.38492692	-0.44525343	0.040775333	0.4364408	0.2602639	0.80809057	-0.22700655	-0.45455256	0.23330215	0.0963172	-0.44632334	-0.30853945	-0.038941853	0.6538236	-0.8362575	-0.33577013	-0.42844698	0.53261787	-0.7483901	0.43834695	-0.20355058	-0.54940397	0.52980196	0.5649216	0.15983266	0.4716031	-0.64357084	0.35483733	-0.007995728	-0.2719716	0.11881714	0.99812573	0.018466255	0.5530989	0.38249058	-0.66411763	-0.010761431	-0.301456	-0.9032106	0.20480481	0.001786578	-0.59949166	-0.49069616	-0.28597412
533	1	COC(=O)N(OC)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1	0.28887346	0.013025189	-0.009040917	0.56109434	-0.23963311	-0.6658569	-0.634098	0.5329857	-0.8459851	0.079872385	0.65601814	-0.42711717	0.10272758	-0.7575647	-0.097363	0.3555029	-0.34545442	-0.21498047	-0.24753049	0.41878226	0.5979163	0.1865144	0.066550225	0.124364264	-0.07507564	0.35790995	0.4722451	0.70807654	-0.5783722	0.59017	0.39465377	-0.6348402	0.29771286	-0.13783315	-0.08705044	-0.60097516	0.60817933	-0.05247294	0.9994342	-0.5515183	-0.5965754	-0.025360523	-0.6124739	0.06790431	-0.5417315	0.42121908	-0.38355076	-0.6094074	0.8862506	0.5917642	0.7865423	-0.0672621	-0.058268994	0.42255008	0.17094481	0.14732483	-0.2969696	-0.714416	-0.563796	-0.12857327	0.08966505	0.48321107	-0.55132943	-0.4880218	-0.6656814	0.50619984	-0.44586655	-0.37259316	-0.25146133	-0.23191419	-0.817823	-0.8954877	-0.41363427	-0.7248373	0.47573206	0.11344884	-0.91194856	-0.3105296	-0.34118444	-0.99953943	0.47363734	-0.6716071	-0.92458326	-0.15117063	0.25732937	-0.8516324	0.003721457	0.5225353	-0.4477167	-0.054114234	0.22583203	0.7865431	0.15718165	0.5944687	0.9985263	-0.5380594	0.23061915	-0.114960104	-0.31120926	-0.19919986	-0.049622037	-0.39979726	-0.5121018	0.9748923	-0.9983574	-0.91519123	0.45016795	-0.28935245	0.9411209	-0.02792281	0.35472882	-0.36484957	-0.018577306	0.17821197	-0.10333381	-0.053480156	-0.115724355	0.61728495	0.9489904	0.04445635	0.035741877	0.003994555	-0.16855763	-0.42684764	-0.21836948	-0.17008579	0.27420458	-0.35725763	-0.083201826	0.9991185	-0.4060067	0.1149148	0.059505418	0.38089523	-0.28513986	-0.9846925	0.16370663	0.08596846	0.2410568	-0.6671247	-0.99999356	-0.6474412	0.3643393	-0.10363411	0.36750203	0.10092681	-0.009045101	-0.29058194	-0.99072134	-0.54289037	-0.06374372	-0.4387759	0.5319768	0.015493672	-0.65468025	0.19361454	0.30446404	-0.68415356	-0.35058597	-0.9561261	-0.4175173	-0.6094975	-0.33110997	0.010583358	-0.43535945	-0.19776623	-0.74782443	-0.037024744	-0.3499123	0.30968186	0.5709517	0.5548131	-0.19065614	0.62750375	-0.090067655	-0.62569016	-0.79246014	0.1776781	-0.5644063	0.07730985	0.5449584	-0.8435268	-0.019201804	0.24663551	0.75065017	0.316017	0.2832553	0.5877314	0.42698732	0.122308336	-0.16091044	-0.3058087	-0.028115412	0.22027521	-0.14436892	-0.3089688	0.23717016	-0.74560857	0.16104831	0.04580479	-0.17073302	-0.2016406	-0.018673377	-0.55004007	0.6015278	0.3615544	0.13021299	-0.64193195	0.62431735	-0.9999294	0.41280845	0.24283724	-0.6080727	0.24621594	-0.06156168	0.4278078	-0.13679445	-0.09222994	0.3295451	-0.19793376	-0.016056696	-0.0452842	0.37878495	-0.5457901	-0.96134716	-0.4869806	0.23735242	-0.13616256	-0.1602449	0.64501655	0.02370697	0.10454884	-0.7318026	-0.41553366	0.49374542	0.25128412	-0.6585187	-0.11733265	-0.12216608	0.21284637	0.86983734	0.46899632	-0.016911414	0.25853947	0.60038584	0.42640445	0.34888992	0.47219405	0.17318402	-0.39713514	0.58011615	-0.70685035	-0.087321974	0.37696418	0.59739745	0.41909298	-0.7904609	0.5839333	-0.45079678	0.32451177	-0.052197743	-0.6995314	0.23173052	0.38156024	-0.54475826	0.6320506	-0.26677614	0.657715	0.90405476	-0.7551854	0.49566525	0.99956405	0.17043427	0.49854982	0.5507029	-0.7566197	0.38407904	-0.12708035	-0.63075036	0.2512122	0.5036601	0.9869154	0.08957094	-0.16173784	-0.74487394	0.33152393	0.07521118	0.9032918	0.8455229	-0.68491703	0.3764876	0.6072446	0.6691885	-0.25366688	-0.27529532	-0.021898352	0.99999845	-0.96042997	0.028874522	0.37094402	-0.057711568	0.5736029	-0.5605584	-0.69560057	0.76366514	0.49332127	-0.9917223	0.2765837	0.8082583	0.84889275	-0.26509446	0.026681311	-0.33382824	-0.24970534	0.41063878	-0.5552487	-0.3576068	-0.52044064	-0.9997675	0.4712148	-0.03395127	-0.35064968	0.2776019	-0.79348993	0.75161254	0.63113475	-0.23645109	-0.5029889	-0.40795454	0.0729395	-0.60536855	0.043813277	-0.38035843	0.52094656	-0.08907078	0.12303665	0.092604354	0.1742824	-0.35687307	0.36813343	0.50998706	0.08592111	0.07929599	0.6353187	0.32158577	-0.4004885	-0.6169829	0.25895217	0.29132217	-0.93501025	-0.75540215	0.52879196	0.07799926	0.002093327	0.29155746	-0.032631166	-0.12515837	0.99929243	0.17412363	-0.05101507	-0.12184866	-0.31086835	-0.18495983	0.089696854	-0.7084375	-0.6312385	0.04561626	-0.7682907	0.04772068	0.45272413	0.48883688	-0.002691842	0.28881672	-0.6614964	-0.029441098	-0.9906242	-0.3625681	-0.09003153	0.5405521	0.09168887	0.38630548	-0.48745853	0.36632594	0.1846804	0.31354094	-0.48009843	0.12434467	-0.38574007	-0.12086121	0.5682295	0.116463706	0.23703495	0.41768673	-0.15380256	-0.016192505	-0.38832623	-0.09396365	-0.100618556	-0.3563251	-0.24031664	0.9271866	0.15857658	0.42191014	-0.3393663	-0.29069015	-0.097414516	-0.6669828	-0.15220444	-0.07551432	-0.22544685	-0.5295521	0.26754272	0.4210091	0.26923946	-0.242201	0.4434798	0.99999917	-0.63388634	-0.9354667	-0.05659229	0.9915019	0.26657933	-0.3340228	-0.99992186	0.057062358	-0.9498265	-0.05444666	-0.72590023	-0.5687297	-0.58746326	0.14881113	-0.018717825	-0.38505885	-0.047652114	-0.041643295	0.099593915	-0.26999795	-0.16604638	-0.9999289	0.9999993	0.39081073	-0.4161335	-0.2577728	-0.47924846	0.081587404	0.17347224	0.12843148	-0.18270816	0.28762275	0.62646365	-0.50278753	-0.44819543	0.79118556	0.47350162	0.2565123	-0.43707648	-0.41810697	0.88583416	-0.99922484	-0.09902976	-0.30593553	-0.24101828	-0.045671895	-0.76923364	-0.6294095	0.41241172	-0.07749389	-0.005642414	-0.2572403	-0.4473558	0.17380536	0.9916662	-0.069463044	0.4603451	0.5341389	-0.097950704	-0.29922184	-0.10855268	0.17371406	-0.6584914	-0.48370862	0.01716809	-0.97501963	0.0668247	0.034095787	0.30562678	-0.038861733	-0.6966563	-0.34342158	0.6079863	-0.02158713	0.50658333	0.051009078	0.9991304	0.56996757	-0.5017981	-0.4840467	-0.14252104	-0.25932285	0.99993575	0.6287585	0.6286751	0.17956293	0.5873189	-0.272314	0.17901774	-0.9980314	0.46251857	0.43198386	-0.29979187	-0.47002256	0.46516737
534	0	CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl	0.2689582	0.3556691	-0.52377343	0.33496478	0.49912733	0.07429123	-0.17671753	0.36313218	-0.41274896	0.45534447	0.1939406	-0.22907062	-0.56601787	0.4381181	0.36834183	-0.78441507	0.20549357	-0.47394612	-0.09457737	-0.44681007	-0.13462062	0.07653813	0.7035168	-0.29989028	-0.17674543	-0.59726167	0.5078742	-0.6962446	-0.059671793	-0.44717118	-0.14099823	0.31848305	0.45075765	-0.6624785	0.28948408	0.26884246	0.098165505	-0.047306385	0.9993627	-0.38472784	-0.57385117	0.53257036	0.31571108	0.4225901	-0.53172666	0.41528332	-0.15093243	-0.35029712	0.9120175	0.6701163	0.416779	0.4714346	-0.5231569	0.3432218	-0.21968628	0.3351081	-0.40586305	-0.736607	-0.47421598	-0.100701384	0.49541906	0.24979198	0.010966002	-0.000203326	-0.50729156	0.66230327	-0.5542105	-0.48305622	0.19032858	-0.18277752	-0.9427931	-0.8231673	-0.2547648	-0.8449352	0.41515124	-0.3553778	0.025096754	-0.3908812	-0.027952475	-0.9986335	0.5114325	0.42448974	-0.97610074	-0.20973359	0.44370914	-0.81438714	-0.01755632	0.63025373	0.19828464	0.573683	-0.65942526	0.16063666	-0.13409998	0.56726617	0.9990539	-0.40368748	0.4985345	-0.051953666	0.23057978	-0.4427768	0.3981122	-0.010972949	0.052308243	0.53425103	-0.99823964	-0.9673587	-0.20629337	0.2448591	0.96336627	0.7684274	0.6325271	-0.4307267	0.049576	0.12359746	0.40202057	0.5956237	0.25304645	0.14397752	0.97217613	-0.19860606	0.61047643	0.69253814	0.1640242	-0.5720858	-0.17701234	0.35377726	0.14923313	-0.040038206	-0.6527558	0.99894595	0.26501045	-0.11402564	0.20689228	-0.20570864	-0.10903648	-0.99614865	0.20683537	-0.60339445	-0.43454167	-0.48439083	-0.9998339	0.13221385	0.43964377	0.70164734	-0.08293878	-0.34779954	-0.6516221	0.16748612	-0.98416746	0.5580451	0.18230237	-0.66303027	-0.3654529	-0.189769	-0.42974812	0.13662483	0.32088882	-0.57418346	-0.86519575	-0.95995325	-0.5661318	0.5659176	-0.4179602	0.020640867	0.030676333	0.5967182	-0.34021196	0.1266228	-0.22790703	0.3599213	-0.43993953	0.057828356	-0.54936695	0.7638987	0.02653489	0.08683492	-0.604097	0.02412045	-0.68456286	0.6421098	-0.001535822	-0.924241	-0.21045023	-0.5519002	0.5567317	-0.2847771	0.64213103	0.4537526	0.10133456	-0.2880167	-0.0254698	-0.3322419	-0.13123155	-0.4866946	-0.33598986	0.65094566	0.29308128	-0.85933274	0.22219887	-0.09383021	-0.8761468	-0.48555353	0.08704805	-0.37786567	0.013595177	-0.43267238	0.83711916	-0.357049	-0.38733035	-0.9998839	0.19447106	0.598279	-0.29654184	-0.14089395	-0.42761412	-0.041228462	0.48385367	-0.07071988	0.61607116	-0.75699	0.097463824	0.35094616	0.5080603	-0.099880986	-0.9696793	-0.25948223	0.35191318	0.29484048	-0.03280065	0.4814314	-0.5817965	-0.00200946	0.11159737	-0.16672805	0.69713604	-0.08843896	0.6585584	0.4293723	0.15873097	0.58391404	0.90140104	0.25722098	-0.15851216	0.19569471	-0.024597256	-0.26361898	0.046863034	-0.50130504	0.3126131	0.076383546	0.12185846	-0.9749853	0.07901681	0.42217493	-0.8081718	0.00619305	-0.08788191	0.62507737	0.09971646	0.386192	0.54806656	-0.6393469	0.7599788	-0.106314264	0.20407633	-0.68425757	0.004493644	0.9061423	0.9413584	-0.24358459	0.7192896	0.99907106	-0.28212404	0.14777301	-0.36771923	-0.76268715	0.13681474	0.089603215	0.044011604	-0.5589353	-0.35868806	0.98794115	0.30106485	0.21381998	-0.42028418	0.1474735	0.11854683	0.88485783	0.7781062	0.000106186	-0.14615385	0.7324346	-0.64934266	0.87434757	-0.061466068	0.19443679	0.9999055	-0.9758089	-0.6138445	0.06722317	0.79426557	-0.7207558	-0.08690094	0.703247	0.875049	0.45799118	-0.9875035	-0.021396356	0.2952235	-0.06668628	0.65370387	0.29022977	0.46796685	-0.4375072	0.110459	0.7740425	-0.162337	0.062645264	-0.9998938	0.7986495	-0.4745257	-0.5696443	0.2003448	-0.4115381	0.56685853	0.35865152	0.37685245	-0.7096449	0.2949643	-0.64590824	-0.37377816	-0.62800586	0.6877705	0.20123525	0.6375035	0.17138396	-0.003224586	-0.48967752	0.22456066	0.5723849	0.5289838	0.5077589	-0.3149913	-0.70794183	0.7696114	0.024464559	0.104955636	0.26324654	-0.12108768	-0.82819325	-0.76299006	-0.05547549	0.031595767	-0.6187902	0.26015246	0.013734901	0.5300608	0.9997399	0.8346696	-0.12990738	-0.3394228	0.38174564	0.3956998	-0.37365404	-0.72304696	0.06596463	0.29844588	0.28374088	-0.06586549	0.08758815	0.7093029	0.46468	0.058060385	-0.89303476	0.07165672	0.9941564	0.50497884	-0.06290798	0.29141006	-0.3397213	-0.012107063	-0.1815709	-0.3948934	-0.32185477	0.36810842	-0.051092133	0.3295471	0.12729402	-0.020600695	0.5049057	-0.4028766	0.4021141	-0.66278535	0.45624113	-0.37987083	-0.5923196	-0.12085674	-0.34732	0.15240642	0.17104518	0.8826672	-0.74768937	-0.78379124	0.5202924	0.47691604	0.26570207	0.009112563	-0.16847521	0.34613508	0.2116961	-0.6689811	0.110667296	0.67224747	-0.4408185	0.47288054	0.75853693	0.99999917	-0.10969246	-0.9747022	0.20873505	0.9993178	-0.3227619	0.21207589	-0.9999333	0.123257905	-0.9214439	0.16314192	0.36506906	0.19931005	0.24137692	0.3108316	-0.50449973	0.33365223	0.26319242	0.6618644	0.08222082	0.18156435	0.24730398	-0.99997294	0.9949428	-0.12886044	-0.05021079	0.3544377	-0.8470786	-0.32791132	-0.40641344	-0.27416563	-0.38000372	-0.34958148	0.85489714	-0.6718844	-0.25419724	0.35289532	-0.74578214	0.38806134	-0.14379962	-0.17857529	0.8410589	-0.9994125	0.73245513	0.09905518	0.47056988	0.09748631	0.73492944	-0.49923605	0.6649544	0.66311824	-0.8449692	0.21659683	-0.74004304	-0.44552526	0.9756275	-0.49016863	0.6657501	-0.802036	0.48143515	-0.44960773	0.62266856	-0.124715455	-0.09218161	0.3300057	0.24631771	-0.8430233	0.7117987	0.33804312	-0.30652216	0.09962826	0.16448802	-0.106653996	0.8358097	-0.6397188	0.7102267	-0.76222634	0.9978516	0.40413302	0.3479498	-0.21538532	-0.07986489	0.41409597	0.9997961	0.70729685	-0.004565975	-0.4907856	0.39585224	-0.545641	-0.47859567	-0.9986138	-0.49568218	0.609507	0.59219384	0.030899817	-0.66055155
535	1	c1cc2ccc3cccc4ccc(c1)c2c34	-0.5668721	0.12509896	0.40136492	0.6185762	0.5870237	-0.8206833	-0.06418472	-0.097095996	0.81317097	0.42660773	-0.817445	0.24671689	-0.13548161	-0.15314156	-0.10658364	0.86646307	-0.19186382	-0.1754451	0.07285394	0.112214044	0.38429818	-0.8912754	-0.6983712	0.36228296	0.52441496	0.48737317	0.07470795	0.44334093	0.5178585	0.113008395	0.41624942	0.2791394	0.3608372	-0.372548	-0.37732917	0.34975845	0.008789372	0.3740253	0.9761471	-0.9479109	-0.9120996	-0.33959097	-0.19792348	-0.3136221	0.39240476	-0.9690027	0.1354517	0.16281123	0.9871651	-0.70210576	0.051148918	0.11656299	0.17935543	-0.2802478	-0.9672991	-0.22188376	-0.5942302	0.7355583	-0.46241632	-0.16337971	-0.72684926	-0.35704523	0.801996	0.22429077	0.4875599	-0.15244189	-0.65266067	0.06379841	0.19900544	0.23184142	0.9780893	0.07574224	0.20536245	-0.74791837	0.887534	-0.18109436	-0.7440036	-0.18152717	0.002314101	-0.99530363	-0.6100386	0.35051417	-0.8667666	0.12425941	-0.44490018	-0.7820247	0.34184074	-0.35731736	-0.19353743	0.222816	0.38994223	-0.68638164	0.42145905	0.028276393	-0.4804715	0.20787264	0.85108364	-0.028677799	0.33716872	0.7318181	0.6027358	-0.40995446	0.6390471	-0.09891677	-0.60861725	0.6899248	-0.19946867	-0.16066103	0.9876532	-0.34269553	-0.19774944	0.19230868	0.5644755	0.041506175	-0.3044689	-0.1916115	-0.6914157	0.13715376	0.99767774	-0.07734504	0.28036726	-0.6896101	-0.5799047	0.21860658	0.2984127	-0.21120347	0.41554543	0.48187977	0.085514486	0.99986285	-0.6124935	0.17282388	0.7306086	-0.19943781	0.57147366	-0.6261629	0.8847676	0.5693172	0.22787015	-0.41169864	-0.99757785	0.42699367	0.99468046	0.34397355	0.77950376	0.19995104	-0.3136944	0.27581248	0.3583401	0.30947646	-0.6159147	-0.80396044	-0.22247289	0.15332082	0.40626705	-0.04037831	-0.60551953	0.96263206	0.12144362	-0.89320314	-0.97453445	-0.28908926	0.008820095	0.3532744	0.47998747	-0.3514622	0.21917742	-0.560969	0.18591523	0.2829127	-0.9600827	-0.6198952	0.74697447	-0.2694602	-0.24589598	-0.90555066	-0.90016013	0.2985464	0.271897	-0.52218956	-0.2774311	0.79482067	0.7391202	-0.25591597	-0.7341615	-0.7026645	-0.2920088	0.10248777	-0.5601465	0.47534359	0.90100324	-0.079433106	-0.30190942	0.29597625	0.44657603	-0.12056441	-0.103187636	-0.79078424	0.83696264	-0.5439044	0.31887546	0.6384335	-0.51157916	0.4000492	0.450125	0.47353575	-0.3702294	-0.7731562	0.06978525	-0.99874425	0.20648167	-0.14419529	-0.6269952	-0.113471076	-0.14804752	-0.36442366	0.12496623	-0.20197701	-0.35453227	0.56384546	-0.6799083	0.087079026	-0.7226328	0.49275154	-0.995683	-0.5740052	-0.2297441	0.44303343	-0.051545672	0.38174817	0.4106698	-0.6429282	0.045474317	-0.29131073	-0.5265468	-0.34536943	-0.43986237	0.08651929	-0.49695387	-0.2955215	0.69243884	0.05029779	0.6125249	-0.51257294	0.62002975	0.13007514	0.21392287	0.4483949	0.1393251	0.12558962	-0.09695262	-0.22983173	-0.07231114	0.59536564	0.24782842	0.1688261	0.52006596	0.03329685	0.17372665	0.001522555	-0.6352406	0.04682283	-0.62981516	-0.60362154	0.0026401	-0.22780685	-0.6463474	-0.7050317	0.31709933	0.18003641	0.5421591	0.8821191	0.23829716	-0.36349884	-0.4825534	0.79849654	0.6387016	0.18743666	-0.22767897	0.061639376	0.099600576	0.9994528	0.32640785	0.7633068	-0.15805708	0.057955857	-0.7887868	0.81848884	0.96497023	-0.14892754	-0.045587134	0.9955987	0.14476064	0.32566953	-0.45434758	0.4503589	0.99990195	-0.9986037	-0.10881291	-0.34729636	-0.48538214	0.44935566	-0.04120315	-0.33458254	0.029766316	-0.99007875	0.731482	0.7088472	-0.82067394	0.4647419	-0.42940187	0.16896617	0.09637676	0.38197798	0.96228284	0.12889685	-0.087009765	-0.58962584	-0.99981606	-0.28422752	0.61050236	0.290309	0.5230279	0.23040712	-0.62641925	-0.24860324	0.5168189	-0.91160566	0.28052595	0.6712722	0.10771433	-0.45702073	0.82502985	-0.54838645	-0.67162186	0.95543617	-0.054257743	0.001419265	-0.57784075	-0.50487036	-0.07801119	0.26659632	-0.057058856	-0.29055265	-0.72063076	0.12116245	-0.3729625	-0.60026556	-0.44873574	0.5292857	-0.9939286	0.6071182	-0.70125395	0.28575477	0.6480949	0.42425025	0.28607664	0.9988122	0.09615135	-0.22814044	0.45534417	-0.6386517	0.6239365	-0.28764147	-0.9849643	-0.5084881	-0.29273835	0.122495174	0.429636	0.06277521	-0.64039785	0.079815015	0.71378624	0.9381102	-0.586113	-0.99999833	0.3197222	-0.22624747	-0.13305795	0.5198166	-0.9534468	-0.002987067	-0.43705434	-0.2595616	-0.6674085	-0.58960396	-0.10149211	-0.44748124	0.6921404	0.87216496	0.29522365	0.18255194	-0.17089148	0.18449232	0.007167078	0.18190165	0.565185	-0.44017106	0.9467011	-0.55339473	-0.9649819	-0.41361707	-0.010118434	0.34112343	-0.07929867	-0.73350674	-0.54985774	-0.7064111	-0.41380006	0.58753544	0.65871084	-0.19904102	0.3655436	-0.296474	0.11579148	-0.066293836	0.9999994	0.6109036	-0.9918602	0.2972769	0.99910825	-0.30125362	-0.36660948	-0.9998261	-0.30714762	0.48124412	0.74869776	-0.07024258	-0.5014621	0.5042698	-0.5931374	-0.77196354	0.13464983	0.4049537	-0.6229332	0.016234037	-0.13196748	-0.14843881	-0.9999915	1	-0.9653279	0.36492518	-0.51005834	0.33105165	-0.040716078	-0.22614935	-0.74859375	0.73490983	-0.047415704	-0.6547852	-0.9248481	-0.5062645	0.05087052	-0.009652759	0.1769986	-0.052130904	-0.20238362	-0.7544161	-0.99994063	-0.25326306	-0.119370624	-0.32954243	0.19334061	-0.79568934	-0.99847686	-0.25539258	-0.6004927	-0.1104631	0.091822706	0.41742292	-0.32504696	0.91674256	-0.30628753	-0.6986968	-0.5247942	0.29488716	0.7308523	-0.62624466	-0.095614545	0.86720985	-0.58290136	-0.60190743	-0.98717666	0.0651821	-0.13114253	-0.15184614	0.35348663	0.030299671	0.6021328	0.66061956	0.2460702	-0.18837537	0.119844176	0.7912675	0.43961316	0.11270577	-0.47182298	0.3831298	-0.29436213	0.9948634	0.7796611	0.331002	0.21013561	-0.45755774	-0.66636205	0.024360126	-0.91535884	0.50184697	-0.18567237	0.37248072	0.41533372	-0.026330858
536	0	CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1	-0.26737028	-0.76269263	0.6265293	0.67698103	-0.18234499	-0.66616774	-0.1789058	0.30607554	-0.069370694	-0.6554274	-0.49426562	-0.35894105	-0.2062543	0.2110922	-0.17445107	-0.77400297	-0.26776633	-0.7758969	0.7173701	-0.5208109	0.29542983	0.061780397	0.2793722	-0.63817704	-0.12850024	0.28608647	0.22870718	-0.37869975	0.22340776	-0.7803167	-0.70941633	0.5230989	0.6477781	-0.51092595	-0.107410036	0.8707437	-0.28715247	0.41279078	0.9989432	-0.7658045	-0.9594505	0.15593152	-0.32120076	-0.09960388	-0.7785444	0.023675602	-0.67340153	-0.14630441	0.90609425	-0.23142841	0.80139756	0.46812198	-0.7095228	-0.019502088	-0.5931817	0.12551819	-0.36371014	-0.7010208	-0.12464686	-0.79458946	0.38275245	-0.10798474	0.67718405	0.8389082	0.43098423	-0.058959626	-0.43500757	0.16010925	0.49895653	-0.2638699	-0.6883736	-0.46087673	0.114509515	-0.62797827	0.89310056	-0.73519874	0.42261437	-0.4286554	0.5035307	-0.9996787	0.24395297	0.19641282	-0.7970435	-0.7504781	-0.12735331	-0.97477543	-0.20420636	-0.5835364	0.1472031	0.8322612	-0.28522444	0.53494257	0.1199499	0.23425864	0.9724362	-0.80534154	0.8295628	0.3180709	0.2520788	-0.29999542	0.66200936	0.272408	0.13451074	0.8828765	-0.9964788	-0.71928895	-0.7549353	0.6638466	0.97685444	0.27658275	-0.20808089	0.13934751	-0.5036563	-0.34529537	-0.81376785	0.3626654	0.74690574	-0.4819549	0.97373414	-0.44888347	0.63279015	0.33557191	-0.29998517	0.67597693	-0.13900541	0.40587223	0.10471939	-0.14536226	0.68251926	0.9998992	-0.27387863	0.4509522	0.67624164	0.19738927	-0.41196445	-0.9921256	-0.096834205	0.50357556	-0.6838436	-0.3119467	-0.9999519	0.1134485	0.88645416	0.12058307	-0.64075917	0.41339532	-0.32816294	-0.31084576	-0.937016	0.05867704	-0.64914066	-0.5739866	-0.27856636	0.3769708	0.5113129	0.6121712	-0.41160497	-0.2173704	-0.91916776	-0.9012538	-0.546886	0.44489324	0.43996775	0.31063586	0.7413528	-0.21464553	0.7150301	0.18634158	0.72317564	0.53611726	-0.5113786	0.06586377	-0.38564652	0.59316623	-0.36344787	0.38275215	-0.68334496	0.06470028	-0.36471605	-0.024129521	-0.88870406	-0.22302653	-0.49784204	0.5066623	-0.18055207	0.38221842	0.5630568	0.03565489	0.24284738	-0.2593138	-0.5814001	0.55794936	-0.10559416	0.43002442	-0.18265145	-0.048408955	0.8157684	-0.7580362	0.48157495	-0.55249166	-0.6707355	-0.5997158	0.4945106	-0.08225294	-0.41580588	-0.12926883	-0.33678114	-0.83159447	-0.17128722	-0.9998282	-0.14302213	0.30629143	-0.04381558	0.055100925	0.6440164	0.11717726	0.53724647	0.25730953	-0.48036286	0.47237194	-0.1261313	-0.7240233	0.600786	0.047802515	-0.98340327	0.61613566	0.19871499	-0.42499077	-0.44294992	0.35803413	-0.2596143	0.26759455	-0.09259737	-0.16435258	-0.27356538	-0.19819388	-0.07961309	0.07893691	-0.58833027	0.29652232	0.93260306	0.5141134	-0.39629182	0.20773195	0.35088095	0.35947526	-0.16462548	-0.4646349	-0.26660326	0.11061169	0.32737416	-0.9658743	-0.072664015	0.69954467	-0.48023468	-0.42052	0.12229011	0.29374662	-0.11667922	0.1965773	-0.23761113	0.45690426	-0.5184178	-0.18960218	0.38103336	-0.37188986	0.07007538	0.15471806	0.87108827	0.4405771	-0.04877609	0.99289316	0.3557917	-0.4379706	-0.92366284	-0.46029395	0.31662455	-0.6519977	-0.2786396	-0.73651147	0.49589887	0.9953905	0.22690694	-0.2621057	-0.5108232	-0.02543747	-0.022530314	0.9577025	0.88826454	-0.02655135	-0.1862671	0.8378126	-0.09768944	0.32561067	0.23447981	-0.050743345	0.99997365	-0.99585336	0.4195799	-0.15515582	-0.23394972	-0.33421278	-0.60170233	-0.6744338	0.6277733	0.12310169	-0.95496005	0.5140442	0.814999	0.47709766	0.42764777	0.27676007	-0.79010797	0.004991617	0.70297885	-0.32678723	0.32197785	-0.06931629	-0.9999403	0.18038605	-0.12077845	-0.53453386	0.65692663	-0.14347222	0.009610086	-0.2767485	0.41333324	-0.9175466	0.20718446	0.26079106	-0.057799317	-0.6347982	0.54510576	0.017073728	0.35584107	0.85368246	-0.19408925	0.51514834	0.26775473	0.2913368	-0.50727147	-0.5336669	0.49771196	-0.28598985	-0.13915735	-0.012684163	-0.74310786	0.027112592	-0.6376223	-0.89157635	-0.89245385	-0.60523516	-0.6540069	-0.27569157	0.26809064	-0.54122126	0.3360661	0.99933565	-0.50984675	-0.18854256	0.069481544	0.0668435	0.42352363	-0.22552244	-0.71902806	0.07655712	0.24145964	-0.12562153	0.4321687	0.29489958	-0.032647472	-0.0344759	0.21219859	-0.39366108	0.11404665	0.9850365	0.004273279	-0.82034385	-0.48603126	-0.059003998	0.3009681	-0.23520346	0.3555927	-0.6471649	0.21530926	0.3872793	0.7872384	0.62131417	-0.66307163	0.6323769	-0.1515716	-0.6166385	-0.030936366	0.5943789	0.110242724	-0.2667251	-0.81239706	-0.6564305	-0.52247846	-0.5558448	0.13930558	0.43576846	0.031489767	0.20347802	0.5350513	-0.33619133	-0.81907153	-0.77886444	0.23467305	0.6457924	0.23750599	0.6721926	-0.17889191	0.741791	-0.61709666	0.18485063	0.9999996	0.53416896	-0.98454	-0.18933791	0.9991633	-0.5934528	0.4230227	-0.99996686	0.36122844	-0.8727947	0.046700004	-0.525606	-0.2121156	-0.07056823	-0.061968796	-0.8034265	-0.19873899	-0.013553736	0.27942586	0.46524385	0.2778975	0.3682422	-0.9999709	0.99864113	-0.13669527	-0.1718169	-0.7165354	-0.39086944	-0.03539513	-0.31674653	-0.37376648	0.16625233	0.41937396	0.46797848	0.07697686	-0.25043014	0.6333495	-0.2379254	0.5428792	-0.31724015	0.17268555	0.8238407	-0.9997462	0.2144127	0.026682349	-0.11811573	0.1278545	0.114352964	-0.9707746	0.7465122	-0.50135875	-0.1656924	-0.50082564	0.02522114	-0.5446613	0.9669499	0.12604745	0.5553607	-0.012092635	0.22925524	0.1684466	-0.021770187	0.38122818	0.19259338	0.32012215	-0.6785399	-0.20242856	0.27877307	0.71743625	-0.6572278	0.33979815	0.06137545	-0.067269415	0.6782803	0.599423	-0.09214906	-0.18201563	0.99410355	0.898595	0.051790632	0.33682933	-0.003105479	0.628711	0.99989176	0.8083247	0.39913565	0.43992132	0.045000993	-0.34289432	-0.7150047	-0.99394107	-0.49568573	0.64771086	0.5896692	0.41992244	-0.2971408
537	0	Cc1ncc(CO)c(CO)c1O	-0.7838225	-0.83144814	0.620868	-0.13597272	-0.011491631	0.36776128	-0.34794506	-0.44654515	0.30572346	0.44198686	0.25593108	0.016658828	0.042451505	-0.45209306	0.23717448	0.52775425	-0.46362585	-0.81306696	0.5610734	0.12229531	0.28741795	-0.64442784	0.03636248	0.61378574	-0.55261344	0.34776786	0.29190093	-0.40761796	0.17059934	0.048303597	-0.2697473	-0.20414227	0.25816733	0.22114202	-0.15291017	-0.32770684	0.1118262	-0.022738162	0.19882514	-0.5746141	-0.80105025	-0.3364941	0.07055457	-0.46978775	-0.40979403	-0.99585766	0.46238038	0.047478482	0.34942928	-0.041470814	0.019204363	0.44631502	0.46470693	0.5479117	-0.8638489	0.2611404	-0.47064343	0.93535066	-0.20706113	0.002153521	-0.35666826	-0.21579345	0.15310828	-0.10479097	-0.27715373	0.31216484	0.1244624	-0.23233023	-0.13158168	-0.5530711	-0.67472905	-0.9995334	0.10401614	-0.11570614	0.47223887	0.08114537	-0.39977038	-0.003357883	0.3495806	-0.9993658	-0.9611819	0.015117563	-0.89624494	-0.47167704	-0.24939945	0.90514225	0.28661418	-0.16312355	0.5502994	-0.014076636	0.6623318	-0.28123072	-0.07575294	0.31388456	0.990469	0.30665493	-0.6793661	0.053904068	-0.25880298	-0.48901722	-0.14586708	0.52914304	-0.17810883	-0.8297172	0.9014086	-0.7172949	0.006076891	-0.4383329	-0.9999948	-0.23939241	-0.48842525	0.30351675	-0.39636618	0.15717484	-0.19313884	0.42199704	-0.19322811	-0.6389797	0.9995731	-0.5810033	-0.2669911	-0.13104904	0.074264236	0.049339507	0.4249576	-0.33653638	-0.75587755	0.39519763	0.000309736	0.9380964	0.17721626	-0.1859491	-0.09581001	0.5242179	0.027329575	0.78134966	0.67131305	0.4594737	-0.84066164	0.11000849	-0.9978757	0.31425297	0.9636212	0.6848381	-0.04175237	0.047494117	0.05748363	-0.20352285	0.98846775	0.1879079	0.32074583	-0.7419653	-0.30145988	0.09022697	-0.100945115	0.19336918	-0.21112862	0.99874693	-0.7002396	-0.100067034	-0.9956296	0.037700094	0.5123243	-0.3954398	-0.229418	0.5354	0.003723112	-0.31331608	0.41203538	0.27611753	-0.68545663	-0.11585886	0.29527396	0.12318496	-0.43937263	-0.77660644	-0.7033088	0.018300714	-0.5908107	-0.32117668	0.4152322	-0.94844145	-0.60703015	-0.769882	0.01807975	-0.65246505	-0.2675939	0.65660757	-0.5143623	-0.18640625	0.9879832	0.18974999	0.35290965	0.46464738	-0.034744192	-0.32064793	0.023027737	0.67289793	-0.6170271	-0.38251492	-0.030930351	-0.27852193	-0.22545294	-0.5200911	-0.08710918	0.34538513	0.13072151	0.762469	-0.43529516	-0.9499658	-0.29267433	-0.3213905	-0.1919927	0.2441267	0.24597594	-0.7531177	-0.002346019	0.25220552	-0.37027115	0.31804654	-0.6953296	-0.40413377	0.7201831	0.18746287	0.99999976	-0.08208566	-0.49775937	0.19236326	0.46964073	0.29772577	0.01030634	-0.22929804	0.19544409	-0.47888613	-0.7047968	-0.7668184	-0.15997206	0.16756216	-0.23121011	0.33112833	0.8664243	-0.21783233	0.1599395	0.12095686	0.015975147	0.6844488	0.045387834	0.5686302	0.60779554	-0.2220207	-0.6895752	-0.99872327	0.30364257	-0.29082865	-0.14552708	-0.62888736	0.47925106	0.18289058	-0.5402912	-0.091579616	-0.4489129	0.3808265	-0.041402187	-0.40617964	-0.667447	0.42531568	-0.1877268	-0.02418172	-0.92141867	0.75815636	0.51135176	0.9314007	-0.20520881	0.3910029	0.26819813	0.45078278	-0.42752844	0.62185335	0.47583175	0.3632401	0.1492171	0.9992406	-0.6086494	0.3310063	0.06709825	-0.3331939	-0.26587984	-0.9821673	-0.9671418	-0.18130235	-0.37454855	0.9994162	0.001394746	0.9214676	-0.12592208	-0.5537022	0.997981	-0.106719434	0.16411936	-0.48786414	0.69179666	-0.027114732	-0.049585182	-0.036756814	0.3600734	-0.1888403	0.9951423	0.15727676	-0.7878698	-0.22944035	0.09399197	-0.320315	0.11047998	0.408882	-0.089670345	-0.09222587	0.5201336	-0.11080834	0.99969214	0.116605304	-0.23951155	0.49106348	-0.08234626	-0.4812238	-0.29777417	0.14382882	0.60270846	0.10106023	-0.44817206	-0.47966486	0.31190303	-0.23909767	-0.39974624	-0.22895405	-0.14646237	-0.9443908	-0.1668641	-0.21125127	-0.42330992	0.2127756	-0.19975802	0.11445477	0.42654207	0.029005857	-0.5797568	0.28138265	-0.27054214	-0.18854317	0.6683492	0.9657491	-0.98942405	0.15380433	-0.18586072	-0.07264931	0.002696325	0.13745554	0.2761045	0.9989278	-0.36061856	0.81722105	-0.12741372	0.13915588	-0.09143537	-0.03216489	-0.000596383	-0.5492099	0.14579079	0.30651042	0.5029444	-0.39595103	0.2651659	0.528663	0.7602828	0.6520879	-0.14432621	1	0.5720464	-0.04019733	-0.12740706	0.19702323	-0.8346125	-0.15838337	-0.21664211	0.3196808	-0.45094517	-0.22781734	-0.43965873	0.07394855	-0.6725445	0.88324684	0.6636449	0.4812985	-0.05479121	-0.25920627	-0.5493961	-0.64920443	0.22937638	0.8431748	0.91167486	0.7558449	-0.18693192	0.6623839	-0.15857545	0.07965393	-0.09196432	-0.47011402	-0.27439722	-0.68397045	-0.03357183	-0.21357799	-0.29365587	0.44569224	0.44034436	-0.20428865	0.3143109	-0.77611774	-0.8628088	0.3525913	-0.9972898	0.43326533	0.9987993	0.21722536	-0.1071459	-0.7261591	-0.055153713	0.7465008	0.35024798	0.07685136	0.09083155	0.3540449	0.40225935	0.67751104	-0.44972548	-0.48561946	0.41254786	0.14619246	0.34190488	-0.41914576	-0.9999111	-0.99930364	-0.99688864	0.050180588	0.05816921	0.7925358	0.56254154	-0.81273794	-0.7540226	-0.16723324	0.08435564	-0.15610982	-0.597774	0.018735338	0.11674959	-0.12669912	0.85830736	-0.44649172	-0.42338696	-0.9905371	-0.99990284	-0.42351386	-0.08502668	-0.6254795	0.13441642	0.082849465	-0.26021707	0.421705	-0.95124096	-0.16520843	-0.07133404	0.07571326	-0.53754973	0.95317644	-0.31095752	0.41106012	-0.4798584	0.8078294	-0.55511063	-0.7852623	0.14336893	0.12083563	-0.738344	0.9163085	-0.67803246	0.25731888	-0.5813461	-0.5316557	-0.5004396	-0.014729281	0.05136296	0.6021409	-0.09970551	0.15532315	-0.076541685	-0.84339166	0.65855336	-0.28186283	0.4610395	0.52897996	0.6320114	0.9997329	-0.41272798	0.045777984	-0.4110566	-0.037786342	-0.17329831	-0.09236786	-0.083218955	-0.08410382	-0.24211158	-0.46444306	0.37222603	0.42955258
538	0	CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1	-0.4081782	0.2324013	0.42455435	-0.30033934	0.35618275	-0.1529192	-0.38492122	0.014520193	0.16188405	-0.21593261	-0.59013146	-0.10941522	0.54062116	-0.18982832	0.05115606	-0.2888698	-0.54032046	0.09470005	-0.5406667	-0.079586275	0.6988805	-0.42846033	0.7826297	0.34541115	0.002239298	0.33508313	0.41469365	0.41584653	0.12774932	-0.057145268	0.39075032	-0.23784931	-0.5503844	-0.44520125	-0.011254123	-0.50509745	0.062201146	-0.02202296	0.97021157	-0.8645508	-0.15254141	-0.033934668	-0.6604029	-0.16503501	0.2560352	-0.9646907	0.6430563	0.61167294	-0.10681262	-0.27934352	0.045684226	0.4278064	0.034201946	-0.081044175	-0.8746855	-0.40541118	-0.67997414	0.6624266	0.20020153	-0.09261165	-0.2011547	0.7624687	-0.23560953	-0.6392161	0.055772673	0.6425124	-0.053109337	0.20297778	0.20547986	-0.5623856	-0.9228141	-0.9759758	0.09001558	-0.69323426	0.4381413	0.4125012	-0.08103961	-0.2760941	-0.3302643	-0.9888734	-0.6605991	0.22274226	-0.9060049	0.17097269	0.53525424	-0.57467586	0.24725693	-0.1051209	-0.38974348	-0.5360611	0.29447424	0.17442906	-0.17761454	-0.027302029	0.9835491	-0.47921857	-0.062199306	-0.1673514	-0.26324394	-0.27090684	0.038420327	-0.51036346	0.1511485	0.464707	-0.6486549	-0.9186585	-0.16884165	-0.21068904	-0.99815273	-0.52487284	0.07689756	0.26258758	-0.6995907	0.50460285	-0.20251104	-0.28655335	0.03681052	0.49527878	0.9988479	-0.5416122	-0.77181846	-0.15827656	0.63523424	0.29584485	0.018236037	-0.7108609	-0.06040495	0.15499689	-0.23909208	0.9995098	-0.35225603	-0.10070232	-0.3418411	0.5886121	-0.09738308	-0.48866257	0.021061346	0.49940014	-0.6964811	-0.27562147	-0.99997336	0.2059481	0.90760577	-0.03250829	-0.026724275	-0.37566873	-0.25982955	-0.9289929	0.69202125	-0.17621355	0.12706913	-0.80857486	-0.4279112	0.34329522	-0.2509876	0.70130306	0.032289866	0.975411	-0.70926094	-0.16419145	-0.97645766	0.18162805	-0.361264	0.16753985	-0.3381911	0.720759	0.7256755	-0.6187871	-0.5469841	-0.19088596	-0.43178436	-0.14043754	0.61489177	-0.2473624	0.41406918	-0.050726004	-0.568203	0.69812286	-0.6869948	-0.05907817	0.46770293	-0.9254188	0.35332325	-0.18348637	-0.21271263	-0.13934617	0.7700588	-0.040352203	-0.22078975	-0.30101338	0.92659557	0.07054152	0.14164843	-0.031034438	-0.056274917	0.3361605	0.22773342	0.4716112	-0.0574077	0.34206378	0.32054964	0.30076995	0.315296	-0.19066814	0.415374	-0.26907533	-0.12535848	-0.08735417	0.3046594	-0.9992032	0.32741487	0.18109968	-0.003539413	-0.13732426	0.64119995	-0.08471319	-0.06861881	-0.6245458	-0.02476909	-0.055215187	0.051662125	-0.62877345	0.47572222	0.26090565	0.9999429	0.5908367	0.3711149	0.34924233	0.5519035	-0.26341224	-0.053376082	-0.4238355	0.5110161	-0.04744856	0.41860566	-0.076482765	0.17614688	0.22015081	-0.3299363	0.60871714	0.84111744	0.26644936	0.28486463	-0.43962413	0.61902696	0.036328856	0.10452407	0.23299718	0.08872167	-0.08412828	-0.38165355	-0.97675073	0.6010131	-0.4613682	0.23425156	0.07851881	0.42981124	-0.22946383	-0.30971143	-0.32903656	-0.3395803	0.40303385	-0.060679287	-0.29820883	0.83301187	0.33202127	0.008290687	-0.32228634	-0.98310834	0.20967735	0.5114897	0.957852	-0.5374865	0.28643635	0.47668687	-0.03438982	-0.6850678	0.50580645	0.5108013	0.5016595	0.33248398	0.99952686	-0.0860545	0.29415324	0.35036802	0.47688705	-0.29161742	-0.5895513	-0.7320258	-0.28565228	0.0791991	0.9970084	-0.20801316	0.8210976	0.14127316	0.05475166	0.99999523	-0.9603846	0.4465618	0.17345479	0.3288982	0.10669552	-0.6826747	-0.022670595	0.84661144	0.56943065	0.7146095	0.52822137	0.06861	0.18073106	0.42898044	-0.6837921	0.5376282	-0.62728983	0.2512417	-0.070150316	0.19776455	-0.33041543	0.9307549	0.5512703	-0.33641544	0.40175912	0.32692033	-0.7585783	-0.68442494	-0.44245636	0.7267015	-0.5402817	-0.004793449	-0.059320085	0.22039054	-0.16787657	-0.08223105	-0.32051808	-0.041864857	-0.22490956	0.25088558	0.3470883	-0.40345022	-0.34046537	-0.2828631	0.17956968	0.48969996	0.036565416	0.18932112	-0.28550425	0.12743437	0.645064	0.22707617	0.2647417	-0.9892748	0.09353364	0.6236149	-0.40725052	0.47620112	0.418511	0.27144495	0.99974704	0.22968894	0.5956972	-0.26548463	-0.005124691	0.13467118	0.68473244	-0.65886706	-0.25459257	-0.06540986	0.13949215	-0.6029527	0.20689625	0.41837993	0.37674704	0.7382126	-0.2296176	0.5288807	0.9980861	-0.1259788	-0.2778155	0.19309253	0.45563936	-0.57715124	-0.2820619	-0.7618505	-0.008243045	-0.4137993	-0.122923024	-0.7124257	0.26541758	-0.35261497	0.7217179	0.1948847	-0.18410283	0.18941653	0.04134262	0.11098798	-0.35486603	0.26177523	-0.1621275	0.7995688	0.5963426	-0.079286605	0.81497186	0.1429149	0.50124824	-0.2747026	0.4233006	0.66774243	-0.6107159	-0.3974668	-0.49718088	0.6911282	0.608563	0.5593844	0.16560754	-0.24724373	0.21761209	0.96342987	0.71673614	-0.92438823	0.23119667	0.99875844	0.56199723	-0.76394457	-0.9803923	-0.75792944	0.47651604	0.59426713	-0.3484174	-0.66409314	0.26952398	0.05995178	-0.1000033	-0.531655	-0.6129858	-0.64489543	-0.6134922	-0.26184273	0.39534223	-0.9999837	0.9920551	-0.9689767	0.7742751	0.1279705	-0.24469003	0.08659035	-0.540653	-0.7489983	0.17320381	-0.5409926	-0.4525995	-0.58497614	0.19017313	-0.07420483	-0.46385273	0.5462114	-0.39024803	0.2851576	-0.7138582	-0.9999542	-0.5537377	-0.39783844	-0.04609041	-0.30025074	0.32131997	-0.43097523	0.3412705	0.45565885	-0.07218012	-0.28971252	0.54071957	0.27083898	0.9775985	-0.07960757	0.63163286	0.07734665	-0.16537306	-0.115207046	-0.47223672	0.1224813	-0.09278109	-0.44668263	0.44161257	-0.6243889	0.4216678	-0.30075622	-0.10484238	-0.37077698	0.041842293	-0.454732	0.7684699	-0.34110588	-0.3953507	0.5858929	0.7587835	-0.3546016	-0.7466247	-0.25932303	-0.66897506	0.43685165	0.9999078	0.15913191	0.57674414	0.0726861	0.72552586	0.03036552	-0.44571733	-0.9312674	-0.5767769	-0.63368964	-0.32775825	-0.4162811	-0.14685011
539	0	Cc1cc(C)nc(Nc2ccccc2)n1	-0.44188994	0.4061906	0.11682994	0.37491706	-0.22095458	-0.02717818	-0.73174447	0.11354006	0.17756453	-0.6572974	-0.3558002	-0.26311153	0.5612138	-0.366503	-0.3755194	-0.2722991	-0.18628678	-0.009299618	-0.083127774	-0.50572807	0.49339613	-0.6692782	0.37748733	0.3463533	-0.19147809	0.529308	0.051200673	0.67540956	0.12815495	0.26582745	-0.31035492	0.40457258	-0.503985	0.10889323	-0.1421559	0.029203236	-0.2334531	0.42848748	0.7696752	-0.9605153	-0.99821913	-0.10321083	-0.064807616	-0.4464155	0.41899922	-0.9899898	0.05914814	0.27311903	0.6654302	-0.2686562	0.12057515	0.072404824	-0.15262555	-0.17746708	-0.84622365	0.21874206	-0.68695015	0.86975	0.067693725	-0.12209179	-0.37509027	-0.4433941	0.23255447	-0.020676322	0.2194298	-0.21024987	0.64951557	0.5397917	0.108592704	0.46782526	0.016238721	-0.97758675	-0.07432507	-0.7462251	0.28945014	-0.18943508	-0.17125367	-0.5565317	0.3144761	-0.9973104	-0.018873017	0.19871324	-0.82512146	0.6602212	0.50944024	-0.5504428	0.24371903	-0.008988551	-0.16169544	0.27877048	0.25705618	-0.113817714	0.000728957	0.26008028	0.92851794	-0.514573	0.37060246	0.09028834	-0.36924452	-0.43558368	0.25082794	-0.74504435	0.15734321	0.846875	0.4773326	-0.92465234	0.23467019	0.49802095	-0.86641425	-0.43832675	0.15143211	-0.12986077	-0.17104349	-0.18977423	0.0346979	0.14811301	0.3682931	0.30382165	0.9991122	-0.096433684	-0.3992179	-0.16192205	0.6195681	0.39318395	-0.4323431	-0.5760249	-0.28230983	0.026557123	-0.41302755	0.9992775	-0.62179	0.05385107	-0.13742496	-0.44807947	0.059635576	-0.95994025	-0.06313409	0.63088363	-0.36960396	0.466727	-0.99990916	0.18733051	0.9777566	-0.48451176	0.21580432	0.5828342	-0.22297043	-0.1908031	0.97605896	0.17601152	-0.32135662	0.415271	-0.4600834	0.21044436	-0.08506697	0.59275556	0.3557238	0.9969647	-0.3460398	0.36397788	-0.99050844	-0.3689721	-0.41831332	0.17357285	-0.13816723	-0.08755312	0.17572068	0.001930558	-0.09176239	0.12810835	-0.25776842	-0.53276837	0.42023364	-0.28699866	-0.05838055	-0.74151945	-0.74135154	0.035125695	-0.8482828	-0.28814977	0.44219542	-0.22764534	-0.0203822	0.33955863	-0.9367484	-0.49510697	0.47142896	0.27690354	-0.39728612	0.21022335	0.80983365	0.40392983	0.3905428	0.18581806	0.068191186	-0.67462224	-0.29749644	-0.7676583	0.3936427	0.20068768	0.591211	0.2389884	-0.32247332	-0.34666255	-0.03574759	-0.002904841	0.44030422	-0.5060872	0.36645982	-0.9918349	-0.06043826	0.20583162	0.38734123	0.11781898	0.6512589	-0.35439688	-0.2280341	-0.31314743	-0.22303247	0.19906381	-0.18861659	0.0592126	0.4734633	-0.12388894	-0.97007984	0.76548773	-0.2546092	0.49037385	0.44576165	0.099592976	-0.22159402	0.002747476	0.6917747	-0.14158435	0.17530732	0.13293989	0.04578867	0.5650871	-0.42132053	0.28191754	0.92060024	0.05430345	-0.59117633	-0.29262874	0.5874197	-0.5648172	0.16991955	0.36437127	0.17005143	0.09176104	-0.4253834	-0.97258	-0.12056711	0.12374351	0.6053445	0.30747414	-0.23643284	0.22428906	0.64726806	-0.12848522	-0.019226009	0.40045083	-0.3765891	-0.1564656	0.3973627	0.60655123	-0.065248914	-0.42630005	-0.43965447	0.076277226	-0.11957591	0.05029605	-0.6011119	0.2651646	-0.36173397	-0.26974374	0.05948941	0.48776963	0.17830984	0.26027587	0.22504605	0.99979436	0.25068104	0.29721794	0.37113598	-0.001928808	0.02722669	-0.5449418	-0.20177177	-0.44254687	0.5670459	0.99934083	0.28086972	0.48208985	0.5845617	0.19066866	0.99994504	-0.9679484	0.2601787	-0.1997619	-0.5412304	0.39774486	-0.71276003	-0.4786061	0.8647944	0.7597146	0.9669237	0.7751281	0.44276923	-0.5315524	-0.31003213	0.48874775	0.6479275	0.18584153	0.8769348	-0.57928485	0.29858428	0.17145573	-0.9770226	0.35053268	0.12270043	0.4741146	-0.036962193	-0.6847425	-0.44508746	-0.05468369	0.50557935	-0.8303966	0.039308857	0.13919652	0.060350195	-0.47230726	-0.0229636	0.17137124	0.3399092	0.031467978	0.14581005	0.072882004	-0.13993295	0.32444122	0.39930457	0.14179942	0.39748764	0.5991569	0.3917191	-0.30708283	0.7062431	0.20298497	0.38037828	0.7860175	-0.9969706	0.44395643	-0.4560586	-0.23146972	0.22027352	0.13121364	0.085381605	0.9988396	-0.15674289	-0.32668558	0.07482876	-0.42593083	-0.5204329	-0.011531859	-0.5872162	-0.002176707	0.5350124	-0.2245018	-0.44433206	0.29238412	-0.35794792	-0.46681744	0.49580723	0.48711336	0.050434574	0.99878675	0.123114996	-0.5227591	-0.3808038	-0.3405746	-0.575349	-0.448216	-0.27297318	0.29002553	-0.61018366	0.4824755	-0.36020732	0.3252621	0.108816154	0.8209068	0.29986858	0.30237657	-0.20692517	0.48743862	0.41935697	0.097806126	-0.20567623	-0.17760625	0.011091894	0.34129265	-0.7165527	0.06322775	0.42257842	-0.1417558	-0.2193977	-0.2378903	-0.106274344	-0.031967957	-0.20398825	0.04198799	0.7144364	-0.27927837	-0.13758907	-0.14942302	0.2581356	-0.55210125	0.99997663	0.14039329	-0.9472234	0.099739276	0.9986849	0.018598849	-0.03630129	-0.99889094	-0.52642226	-0.09137687	0.31556472	-0.030290572	0.08260386	0.1662593	0.6016268	0.27715045	-0.179342	-0.5160114	-0.7898566	-0.12851104	0.6741174	0.41026452	-0.9999805	0.99029535	-0.97536665	0.29366857	0.228498	0.32678837	-0.095272206	-0.41730082	-0.7160928	0.38318303	0.23340398	-0.37227145	-0.5349212	-0.6097787	0.60651785	0.5054798	0.21365619	0.3146476	-0.4901021	-0.9566303	-0.9999709	-0.014918551	-0.18634501	-0.029063653	-0.20308246	-0.56404674	-0.9738442	0.45668134	0.41913176	-0.29791388	-0.09082408	-0.11567817	-0.49538562	0.9549468	0.29324478	0.81688035	-0.016965866	0.17760697	-0.018770723	-0.3747083	0.23645063	-0.35484472	0.1638288	-0.020263178	0.57830745	-0.5521196	0.3894046	0.732227	-0.174251	-0.057586513	-0.145931	0.60123044	0.16488558	-0.5603927	0.032704122	-0.15982637	-0.11936265	-0.17829801	-0.22273368	-0.30866328	-0.1949464	0.99994177	0.3603718	0.5549958	0.6434019	0.23436008	0.28901017	-0.21775202	-0.4165764	0.09033644	-0.7553828	-0.3807791	0.08491819	0.05592895
540	0	CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1	-0.20624797	0.15258726	-0.092008665	0.25874138	0.016492262	-0.48134658	-0.60797125	0.38084882	-0.23649433	0.1892826	-0.46896708	0.14471601	-0.5053191	-0.6511475	-0.14022958	0.49602628	-0.18217741	-0.07131709	0.5418319	0.102131106	0.2939618	-0.45749852	0.11874069	-0.22371726	0.003864261	-0.32387447	-0.28161812	-0.03785557	0.022624675	0.32463196	-0.052626275	-0.457763	-0.21630244	0.26432133	0.19663213	-0.073551	0.15775742	0.4902829	0.9973724	-0.92409956	-0.8696597	-0.35995024	-0.1420688	0.33718428	-0.20033877	-0.45243853	0.036735553	0.3235267	0.93029046	-0.6704278	0.8112353	-0.09177016	-0.65273184	0.15786168	-0.18685833	0.34329745	-0.25015977	0.33152312	0.26755092	-0.34791744	-0.2675405	-0.60084754	0.36477184	-0.114928104	-0.45447204	0.21147522	-0.17054352	0.3553208	-0.24140725	0.37639147	0.2991347	-0.5973214	-0.011316477	-0.5961336	0.38474616	-0.55536956	-0.5966936	-0.14083199	-0.63014615	-0.99811924	0.6086487	-0.13413383	-0.8363389	-0.05302721	0.12379624	-0.9649569	-0.7605655	-0.22357154	-0.32047063	-0.19843072	0.008534935	0.47563156	-0.10116276	0.5355403	0.98724276	-0.16257006	0.74623567	-0.13123979	-0.09790753	-0.41764683	0.40866446	-0.16295806	0.000956029	0.9981947	-0.9841203	-0.8420737	0.5246379	0.5497512	0.9592174	0.42272294	0.35847455	-0.32688552	0.4871337	0.62242156	-0.3921575	0.57735664	-0.3646986	0.62420505	0.97858304	0.48647416	0.33454794	-0.1619571	-0.052025974	0.25775298	-0.48503464	-0.38479346	-0.2785301	-0.8218385	-0.19061558	0.99975336	-0.04200741	-0.33972958	0.5140517	-0.3106953	0.44603294	-0.988807	-0.5474161	0.40528676	-0.24448435	-0.10108609	-0.99998546	0.25381348	0.91002697	-0.7026086	-0.16313651	0.7035459	-0.304933	-0.21684386	-0.8036988	0.21109186	0.573748	-0.46391484	0.32253054	-0.24957609	0.2892478	0.3553478	0.013250502	0.42076445	-0.38056844	-0.94080615	-0.77529716	-0.02306314	-0.1357459	0.6871746	0.29306775	-0.054399252	-0.24694811	0.49393755	-0.22408265	-0.112218976	0.54663426	0.009388642	0.37470838	0.35230368	-0.030780438	-0.9221729	-0.6386751	-0.25899953	-0.7935991	-0.4442599	0.6049628	-0.017673455	-0.32699236	0.47329482	-0.18414745	0.0411654	0.63079005	-0.2006441	-0.25250387	0.31649014	-0.6486044	0.08821131	-0.46479332	0.33547384	0.1577979	0.04295944	-0.57428724	-0.6786481	0.47159916	-0.009062367	0.4702341	-0.59610116	-0.13298796	0.64707464	0.33665583	-0.40064746	0.3656307	-0.85706896	0.363191	-0.99983746	-0.6487523	0.42467886	0.079240546	-0.15933348	0.18684502	0.22866116	-0.7430444	0.39702517	-0.2639788	-0.19115941	0.30504423	0.2914142	0.21228257	-0.3675236	-0.9463095	-0.03610482	0.08919725	-0.3440053	0.24829254	0.52768016	-0.14835814	0.108454965	0.409444	-0.33201998	0.7974944	-0.17117338	-0.22027771	0.35977688	0.07669544	0.41018024	0.90239817	0.33386803	-0.23682672	-0.56475925	0.78962773	0.27921566	0.7952889	0.41341045	0.36565855	0.5216196	0.14572568	-0.724528	0.1565603	0.6325347	0.41732383	0.5291012	-0.646564	0.6448045	0.15926541	0.1751257	0.5102335	0.06780006	0.05570248	-0.5492927	0.3249839	0.19727813	-0.59298223	0.08907668	0.67373925	-0.08203557	0.006976827	0.9787115	0.33986732	-0.09670513	-0.13500568	0.44236216	0.19494477	-0.0827886	-0.24507613	0.5547248	0.16649736	0.99792385	0.049659103	0.5310257	-0.5978264	0.6425777	0.67056185	0.89810467	0.86811674	-0.16383412	0.14179634	0.955994	0.032571163	-0.84429055	0.013264095	0.024477856	0.9999971	-0.99337846	0.2511638	0.3681521	-0.4340126	0.26359794	-0.4998861	-0.25901592	0.3957752	-0.6949629	-0.9192071	-0.19693345	0.95722234	-0.12884174	-0.097805314	0.13598809	0.34905568	-0.16490285	0.8931921	-0.1531672	0.14482807	-0.4282449	-0.999848	-0.09859506	-0.28305024	-0.15493706	-0.055604223	-0.77445734	-0.042170558	0.037070457	0.1683124	-0.6794355	0.10029651	-0.14989987	0.71622044	-0.09816633	0.3229089	0.028936842	0.014273512	0.8169713	-0.07528178	0.09666045	-0.24704236	-0.29210743	-0.49378872	0.56980795	-0.1966698	0.64279693	0.22117238	0.38082707	0.081590585	0.6378776	-0.32188588	-0.6510491	-0.965321	0.7159738	-0.12679285	0.21419342	-0.47374868	0.14395365	0.6526874	0.99971575	0.29498404	-0.2456826	-0.60471624	0.17037866	0.22266552	-0.49376997	-0.8547966	-0.099924624	-0.3929263	-0.7512479	0.46995407	0.053607643	-0.36413702	0.056922875	-0.5301175	0.017064292	-0.073317304	-0.992243	-0.086466886	0.11754083	-0.4727356	-0.6273052	0.050733216	-0.55074245	0.6930381	-0.6310307	-0.1914622	-0.29402876	0.5085635	0.25507212	-0.03297675	0.11375043	-0.18487008	0.08371667	-0.12566763	0.056575168	0.5235826	0.24261974	-0.269635	0.3101248	-0.82803315	-0.47390467	-0.013808406	-0.22324254	0.050522946	0.42196852	-0.77099544	-0.7180368	-0.100739524	-0.5958657	0.10534881	0.3539776	-0.4741763	0.3037082	-0.56690645	-0.42312077	0.17358196	-0.1328179	0.99999964	-0.12666129	-0.96679264	-0.1725396	0.99768245	-0.39653078	0.19913359	-0.9999343	0.65786326	-0.96339756	-0.49447188	0.6917442	0.13049743	0.42668518	-0.8516835	-0.17630105	-0.25143665	0.49159288	0.17556636	-0.026223991	0.39573482	-0.39462727	-0.999945	0.99999905	-0.020274004	-0.3309118	-0.36925113	0.32950956	-0.5162468	0.11607613	0.7207193	-0.04116078	-0.09038522	0.42092985	-0.8259466	-0.35561237	0.12182904	-0.32368767	-0.1517707	0.5677419	-0.85196555	0.51900846	-0.9996657	0.046424784	-0.04832911	0.43088192	-0.19854179	-0.27319506	-0.9789469	0.64950013	0.03426314	-0.30009845	-0.19426516	-0.789566	0.06301882	0.984914	-0.38942772	0.33267015	-0.30842495	0.5760177	0.25556624	-0.3633613	-0.15100457	-0.69736636	0.49898958	-0.5111615	-0.7893018	0.15140417	0.008464641	0.01109877	0.089485385	-0.55504566	0.52298766	0.5765349	-0.6418203	-0.18694891	-0.24579869	0.99321973	-0.54565305	-0.06762538	0.17951728	0.21913414	-0.26466614	0.999978	0.782828	-0.044042874	-0.3385022	-0.13755883	-0.2698981	-0.36216003	-0.9887848	0.22818725	0.48283088	-0.69277114	-0.37057173	0.07584794
541	0	COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1	0.43540087	0.47788104	-0.73615533	-0.06266741	-0.21872813	0.30101636	-0.05678797	-0.13494332	0.23030894	-0.28597003	0.43681836	0.051742245	0.70227355	-0.074260004	-0.6183197	-0.3076575	-0.5837169	0.26005018	-0.48720437	-0.060647212	0.42326584	0.037568647	0.739049	0.41614693	-0.59839714	-0.04650336	0.16220902	0.57166463	-0.8951347	0.45658746	0.6125734	-0.26186058	-0.5108699	-0.06487896	0.0629095	-0.8422144	-0.62943393	0.1620131	0.9932495	-0.29991174	-0.97503936	0.3259836	-0.4610639	-0.07234439	-0.3681551	-0.74924254	0.08197321	0.5309609	0.6736651	0.38619405	0.30369642	0.5269007	0.018401442	-0.057297803	-0.45035058	0.002677232	-0.59935033	-0.36404648	0.47484407	-0.020176817	-0.5174136	0.43174356	-0.20528737	-0.42216486	-0.29144418	-0.16663657	0.1956601	-0.38268426	0.36777344	-0.5112907	-0.9739747	-0.99787	-0.12656993	-0.80581146	-0.69877404	0.4486282	-0.40301695	0.1943348	0.17644109	-0.9998502	0.6995788	-0.48238266	-0.9653782	-0.028565342	0.11966557	0.12595877	0.54405445	0.010407995	-0.67785364	0.14199989	0.14303353	-0.2903504	0.34689155	-0.14409047	0.9994077	-0.66735727	-0.25886315	-0.2890385	-0.67704624	0.30995265	0.60940486	0.1833694	0.046319775	0.5547415	-0.93586206	-0.9937034	0.6140631	0.7509874	0.9542761	-0.41135237	0.3717629	-0.72256094	-0.7395367	-0.14509548	-0.25863427	-0.27109885	0.089032695	-0.15629162	0.9974407	-0.13909191	-0.5860342	0.4139609	0.15389554	0.75918376	-0.091728814	-0.45112973	-0.24260448	0.30878907	-0.48955047	0.9679218	-0.53591025	0.14351466	0.41230282	0.13153696	0.21712941	-0.9933386	-0.5160053	-0.60923326	-0.55363065	-0.13390522	-0.99987036	-0.7796031	0.031779677	0.2845649	-0.25355247	-0.3633791	-0.16125178	-0.37011287	-0.032175403	0.27101582	0.69354916	-0.58433187	-0.7281143	-0.52558184	-0.46321088	0.7993169	-0.105156295	0.78317964	-0.771085	-0.97317284	-0.9330534	0.51873875	-0.13753973	0.24126059	-0.21317126	0.064422786	-0.8040069	0.16630305	-0.121517815	0.74180764	0.041334443	-0.17503452	-0.1444178	-0.34936374	0.74153006	-0.34148723	-0.41713724	-0.52667403	-0.71031004	0.3829749	-0.33258304	-0.9992084	-0.46128646	-0.42481425	0.09179524	-0.28696424	0.49309435	0.25501835	-0.35871816	-0.29181677	0.7774918	0.23381793	0.488906	-0.5412736	-0.6347369	0.13773394	-0.5349388	-0.38438323	-0.60596865	-0.017622031	-0.1269671	0.22672105	0.26752433	-0.3586765	-0.64540714	-0.64140195	0.7411342	-0.41060814	0.7525633	-0.9989992	-0.16658148	-0.5924551	-0.42982575	0.15210178	0.23010147	0.7032169	-0.1742293	-0.1354429	-0.21241042	0.5511094	-0.83476585	0.3600367	0.83095634	0.10231865	-0.9821577	0.32189798	0.13393182	0.72485	-0.36596844	0.55470675	-0.6191495	0.32925498	0.24897838	0.16495283	-0.10626183	-0.08072643	0.06918869	-0.05576503	-0.71256566	0.02760551	-0.52049124	0.667474	-0.23318344	0.6279721	0.5968417	0.35555366	0.6533836	0.40728074	0.54767215	-0.5023363	0.051692795	-0.9810216	-0.834917	-0.3480185	-0.001858411	-0.567285	0.15773353	0.28040618	-0.088790216	-0.032441456	0.6157137	-0.21632157	-0.023958286	0.16871645	0.050704733	0.24553367	-0.805215	-0.40815508	0.9929396	0.113678195	0.45840296	0.9929646	0.1827095	0.15227331	-0.4248604	-0.64013624	-0.3186811	0.47507107	0.4779986	0.54819703	0.22127417	0.99837214	-0.44051757	0.15344204	-0.4380103	0.36275575	0.76552665	-0.043041594	0.82652956	-0.4409242	0.5214657	0.98435104	-0.31785005	0.7861454	0.7339589	-0.16706532	0.99988145	-0.37286213	-0.4219435	-0.2981919	-0.22894306	0.49314094	-0.8130046	-0.09050511	0.47469515	0.8729754	-0.6952805	0.6382764	0.27015778	-0.13807216	-0.03870982	0.72047544	0.049652547	0.36473224	-0.89876276	-0.12864542	-0.30797663	-0.26001087	-0.999968	0.041588966	0.51423705	-0.569197	-0.057306677	-0.76453406	0.61324275	0.087808855	0.09827708	0.08740392	-0.572192	-0.14535059	0.65816045	-0.528688	-0.3365742	0.27963975	0.29934767	-0.9033728	0.03902915	0.51939636	0.28864035	-0.5787775	0.11019907	0.1247827	0.22178356	0.22732201	0.36228788	-0.24974039	0.3765226	0.5085422	0.51714253	-0.20882687	-0.95712125	0.13632688	0.18355438	-0.14686133	0.14922467	-0.16811278	-0.5307344	0.9987504	0.519466	0.2982122	0.6293709	0.020792231	-0.1848403	0.55327123	-0.10113625	-0.66687566	0.50732344	-0.22910206	0.60534835	0.0553619	-0.26956093	-0.37210122	0.60855603	-0.6539509	-0.7746422	0.9988969	-0.60937905	-0.5668148	0.12876399	0.4806598	-0.011305855	0.21774048	-0.5514625	0.6644462	-0.43939498	-0.016527064	0.20693749	-0.37160566	0.042079	0.79144627	-0.20692626	-0.71060175	-0.19187981	0.52907574	0.7751921	-0.6384759	0.60823745	0.51731145	0.23114511	0.54866844	0.9691433	0.002287216	0.4700325	-0.4195712	-0.34864897	0.23174784	-0.31662384	0.8916841	-0.32902056	0.33847952	-0.78305864	-0.23038727	0.048590716	0.18856713	0.61527854	-0.55800474	1	-0.17386791	-0.9030866	0.04060091	0.9962289	0.13850701	0.43134332	-0.99995196	0.10180265	-0.20971921	0.55993235	-0.52560174	0.02117477	-0.4961583	0.35685128	0.7691569	-0.49464557	-0.10005101	-0.7849233	-0.8248803	0.6694989	0.4438862	-0.99998945	0.99483144	-0.841061	0.043014966	-0.6561267	-0.2790009	-0.027381245	0.74314415	-0.5853751	0.14954981	0.22142062	0.38591295	-0.75928086	-0.35472664	0.6090886	0.4795064	-0.31005663	-0.33915937	-0.5606595	-0.22158664	-0.99993354	-0.39904633	0.7188984	-0.7070391	-0.44386858	0.1415299	0.7170307	0.855363	0.16934425	-0.10765851	0.26949525	-0.2403183	-0.15310627	0.98044217	-0.27036533	0.7880137	0.3870668	-0.023318438	0.12509145	0.8903794	0.20459762	0.08842214	0.6178092	0.75722504	0.85672987	0.42312852	-0.31158337	0.726444	0.7449249	-0.036601033	-0.5132378	0.46738186	-0.39410675	-0.29512256	0.3265221	0.9771255	-0.12124516	0.5847984	0.14045109	0.13204089	-0.440938	0.9998813	0.5068598	0.6626293	0.40847337	0.048735876	-0.26574555	0.24091744	-0.9848421	-0.124192744	-0.12718551	-0.08511036	0.062436555	-0.13551643
542	1	O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	0.4258424	0.78681475	0.054197174	0.24599394	0.62679476	0.31531453	-0.024316194	-0.404997	-0.41474268	0.7126613	-0.2317062	0.6786642	-0.75677544	-0.71201044	0.22127971	0.6908274	-0.017430633	-0.42212924	0.048429545	-0.27382082	-0.07268227	-0.66231936	0.35664353	0.4749514	0.005585135	0.40903407	-0.117281124	-0.058886405	0.71848184	0.6315474	0.18057285	0.12904732	-0.24967343	0.33466932	0.38394874	-0.6611464	0.40345493	0.0649309	0.99883723	-0.4760936	0.46425787	0.15534678	0.39306292	0.039268054	0.34229633	-0.35226268	0.25561127	-0.40106195	-0.081333786	0.7245425	0.23788244	0.6169055	0.48633963	0.09262469	-0.0953592	0.26767328	-0.67732644	-0.60816795	0.14507744	0.21922791	0.013639252	-0.29106835	-0.27326918	-0.5949583	-0.29408354	-0.1137338	0.13738385	0.11923185	0.7282321	-0.289607	-0.9431577	-0.98370546	0.14870659	-0.83140403	0.29357877	0.039518937	0.21704763	0.06520522	-0.026059754	-0.9696167	-0.9884213	-0.7256678	-0.9209563	-0.06765198	0.47300977	0.027190976	-0.48570767	-0.3802213	0.21242437	0.04680899	-0.16375689	0.43814465	0.022484956	-0.007116161	0.9983726	-0.17989902	-0.60165286	0.15428881	0.45263177	-0.059991278	-0.023236033	-0.019095894	0.07824396	0.41777915	-0.9943152	-0.7866992	0.08583848	0.24585702	-1	-0.074776396	-0.8948528	-0.52430457	-0.81665903	0.10177373	0.6428455	0.64814514	-0.32150635	0.4642128	0.99431723	-0.28327528	-0.55456823	-0.6606693	-0.18061845	-0.54963076	-0.7159255	-0.073286645	-0.5468698	0.46981293	-0.7756631	0.99259096	-0.19521007	-0.58886355	-0.5146473	-0.2753681	-0.63753307	0.87413913	0.6199943	0.8706221	-0.6687626	-0.5151293	-0.9999835	0.51561135	0.31110296	-0.59827286	0.28451502	-0.12015295	0.22824496	-0.5479781	-0.9399649	-0.654906	0.59361017	-0.87675214	-0.04992523	0.16275457	0.30433077	-0.71570104	0.13764057	-0.21293193	-0.70910156	0.64928514	-0.8885086	-0.5030856	0.15472077	-0.26818123	0.39592496	0.7065497	-0.34868455	-0.22106647	-0.50792503	-0.71305597	-0.7525337	-0.23864897	0.37475976	-0.067675054	-0.026511328	-0.28746513	-0.7750814	0.3012971	-0.5284177	-0.23945135	0.47435778	-0.9901563	-0.20210879	-0.05565164	0.8460144	-0.19375925	-0.0542149	0.4957712	-0.64872867	-0.020760853	0.9445007	0.53336626	-0.34824234	-0.109935656	-0.36727187	-0.43698838	0.15550353	0.9501834	-0.48155257	-0.25028208	-0.72559017	0.71222615	-0.018149639	-0.33890125	0.79723704	-0.6118409	0.19465604	0.7197538	0.35294747	-0.9997402	-0.5967457	0.110423386	0.5315431	0.16215537	0.038396038	0.13244966	0.34126803	0.31655753	-0.7064353	-0.23608705	0.20073518	-0.4795242	0.43683663	0.6752594	0.9999998	-0.22343227	-0.4546475	0.5768423	-0.59643453	-0.3287612	-0.69000125	-0.7914081	-0.09792535	-0.59907156	-0.48343822	-0.16733898	-0.1948759	-0.08295784	0.13732599	0.7023698	0.7217996	0.63618934	0.33154196	-0.50559735	0.5274374	0.04585065	0.6169571	0.183799	0.13641296	-0.69277793	-0.78534645	-0.7272797	0.22476666	-0.103344224	0.51683646	-0.54640245	0.2776059	-0.37101915	0.76534253	0.58972317	-0.5010797	0.7617606	0.5986973	-0.70848966	0.60238993	0.08572286	0.3294959	0.48934805	-0.9908163	-0.2940216	0.089750916	0.9871126	0.6215444	-0.07633557	-0.09862813	0.7973908	-0.22125947	0.9199337	0.13233264	-0.108368985	0.36908105	0.99477136	-0.22253343	-0.052363746	0.21367139	-0.7158028	-0.5212263	-0.98243505	-0.9949842	0.057227675	0.35085166	0.91826534	0.46010214	0.6380184	-0.423215	0.5997648	0.99999905	-0.67364675	-0.61642826	-0.13990572	0.46200117	-0.10256508	-0.76578736	0.59560305	0.010344648	-0.92059684	-0.9150887	0.09116042	-0.22031465	0.469881	0.10005663	-0.00210944	0.46609458	-0.056818243	-0.72755647	-0.4925227	-0.001228876	-0.83796114	1	0.57007915	0.5872648	0.17686616	0.75591123	-0.3922133	-0.31814	0.13894816	-0.24222071	0.11260806	-0.27380916	-0.37943688	0.32179067	-0.39707664	-0.12428488	0.45710936	-0.38925344	-0.7629944	0.28761005	0.093790926	-0.13073009	0.10685023	-0.20170964	0.36593184	0.073677614	-0.09883533	0.20087959	-0.07660371	-0.36973444	-0.78315485	-0.007657654	-0.70420176	-0.7408541	-0.41004986	0.1488157	-0.5377685	-0.6031596	0.581776	-0.19106081	0.9993885	-0.51595473	0.9432061	-0.32309023	-0.031376876	-0.059262436	-0.27902305	-0.68391937	-0.11567406	-0.050709262	0.838097	0.7189801	0.25393543	0.71846306	0.7337657	0.8863928	-0.26285198	0.16728422	-0.9884136	0.32777214	-0.14375302	0.19503665	0.1309077	-0.71120316	-0.58887434	-0.74697703	-0.6513391	-0.31741711	-0.41828087	0.28082326	0.007942148	-0.55402213	0.9071409	0.3594602	0.7200392	-0.8475247	0.6108641	0.30286273	-0.5337873	0.27110285	0.6198104	0.76722986	0.8489652	0.94768924	-0.5835824	-0.26266003	-0.35963094	0.05669579	0.7905746	0.05913322	-0.68992805	0.09536005	-0.13197	-0.54859227	0.7546365	-0.4741882	-0.001813141	0.8372574	-0.42635012	-0.99998826	0.3224986	-0.97778815	0.15416735	0.9995574	-0.7522647	-0.34326127	0.6590507	-0.486014	0.70301366	0.62278384	0.21752878	-0.65819293	-0.26581368	-0.1879394	-0.34695017	-0.16829889	0.029705808	-0.37168822	-0.7319033	0.15199621	0.33576855	-0.9999808	0.9999997	-0.7449644	-0.42765874	-0.045276362	0.8521436	-0.345235	-0.77535343	-0.77571464	0.108457446	-0.4900837	0.41900888	-0.8628367	-0.21968193	-0.17862248	0.06685874	0.58513993	-0.30698976	-0.100850865	0.40863138	-0.99990183	-0.8568514	-0.28036457	0.15105325	0.03992404	-0.40073082	0.70401555	0.84438306	-0.67610466	0.25418139	0.71826833	-0.5729322	-0.28519264	0.98951674	0.14075834	-0.733667	-0.20603475	0.57827866	-0.5093392	-0.9652706	0.074907795	-0.000440521	-0.14103891	0.75390434	-0.9502515	-0.035353046	-0.73917496	-0.49117956	0.5343715	-0.6817224	0.034929365	0.927494	-0.2789953	-0.22662455	-0.17249753	0.9934709	-0.40366852	0.17063776	0.27777827	0.484464	0.45502827	0.9997728	0.2505443	-0.315887	-0.7537729	0.5694885	0.06136045	-0.27957103	-0.99493015	-0.47976628	0.684004	-0.8171575	-0.45535454	-0.86092705
543	0	O=C(O)c1c(Cl)ccc2cc(Cl)cnc12	-0.83475333	-0.70275843	-0.40294588	-0.062188406	0.32256526	0.07046535	0.3160462	0.10745866	0.34028828	0.21495049	-0.026049256	-0.2009998	-0.11426968	-0.3309941	0.27335694	-0.001022609	0.018204246	0.1601712	-0.38735473	-0.12818868	0.5698852	-0.612174	0.10021118	0.56762695	0.20456272	0.27884912	0.43166113	0.122922674	0.39283398	0.18305252	0.38818264	0.6203755	0.20414372	0.039704308	-0.30406502	-0.31084427	0.50250876	0.2130345	0.9116728	-0.85059655	-0.9754207	0.2884838	-0.010186148	-0.22326143	0.4156105	-0.9860943	0.10372828	0.21188438	0.589223	0.024241704	-0.4544906	0.51496834	0.5227806	0.1387688	-0.9584533	-0.21066377	-0.7671729	0.7340231	-0.44576067	0.26561004	0.39705095	0.31847772	0.65811354	-0.11445053	0.08860259	0.2134552	-0.005471358	0.5561683	0.13972233	0.036676686	-0.6010302	-0.9140155	-0.21393704	-0.82899195	0.4464508	0.45035475	0.061979387	-0.73997915	-0.1968357	-0.99927604	-0.26012683	-0.26229084	-0.8761944	-0.53266287	0.32692102	-0.46525064	0.7765965	0.37428954	-0.13145179	-0.06532717	-0.19839899	0.3633636	0.19261539	-0.096783236	0.971183	-0.32179028	0.5563235	0.41538695	0.39693415	0.36895895	0.71782404	-0.320084	0.5679249	-0.636226	0.16431	-0.7652785	0.5616127	0.060761664	-0.95695597	-0.24666853	-0.5660169	-0.38587725	-0.66561824	-0.55846876	-0.03758537	0.025353093	0.30430874	0.3123189	0.9994161	-0.5938271	-0.40407792	0.46773675	-0.22381972	0.3484103	-0.48079473	-0.073007956	-0.033551227	0.41321003	0.3132899	0.99951077	0.0928917	-0.5260536	0.46632662	-0.28306288	0.30311915	-0.85694	0.7765114	0.45329317	-0.6625739	-0.46019462	-0.9999397	-0.13297443	0.9700662	0.38276777	0.050150014	-0.15551695	0.4635014	0.022974413	0.9465718	-0.7483249	-0.55258125	-0.6587469	-0.4991349	0.6771281	-0.41395	-0.49624982	-0.6513281	0.99125946	-0.3564861	-0.6842758	-0.98829186	-0.0202501	-0.50592184	-0.44995338	0.24062023	0.16276431	-0.44163337	0.15763241	-0.21738844	0.390226	-0.73707664	0.03509137	-0.5665679	0.021960972	0.66270596	-0.9386493	-0.8010547	0.1211946	-0.19745824	0.5112116	-0.15591688	-0.86265624	0.1778847	0.07859462	-0.54763556	-0.30890587	0.11163159	-0.10831488	-0.034656502	-0.39890662	0.9535061	0.058466427	-0.43928137	0.31634778	-0.1700962	0.14425984	0.16621937	-0.19298472	-0.07865065	-0.069849946	0.3419094	0.7761146	-0.2949927	-0.28863755	0.24203517	0.2997308	0.02942119	0.51082116	-0.002731946	-0.9929732	0.3094819	-0.40824103	0.04853811	-0.29926002	-0.40154162	0.18444364	0.4948012	-0.041296292	-0.3533253	-0.6812086	-0.16211185	-0.5913329	-0.6873403	0.50987345	0.9901898	-0.17646204	-0.20620042	0.2530582	-0.52278274	0.30748138	0.13863872	0.005814997	-0.54055274	-0.6036826	-0.1279736	-0.5382871	0.088760965	-0.31379077	-0.23590271	-0.33786312	0.9072228	0.49389213	0.7097323	-0.51847035	0.79294604	0.29040176	0.1023702	0.3763831	-0.15045828	-0.44064692	0.51771617	-0.9739924	-0.62664616	0.16682315	-0.014332456	-0.29144323	-0.03238792	-0.082205206	0.11467428	0.38007522	0.065454595	0.16726193	-0.30733585	-0.45465666	0.32317635	-0.020115666	-0.3558659	0.13379554	0.53906304	-0.13160558	0.3666332	0.36829805	0.7047574	0.25436407	0.3115212	0.85144395	0.13760385	0.032480612	-0.08805438	0.35852176	0.38002717	0.999438	-0.11636349	0.5938949	0.059467614	-0.34942013	-0.11320571	-0.32263765	0.48787397	0.3113016	-0.22819711	0.9983533	0.07207437	0.8779815	-0.29637486	0.08556768	0.9999832	-0.9702293	0.22632736	-0.017822042	0.38590616	-0.03505547	-0.5935111	-0.13086237	0.45587307	-0.47373062	0.8743371	0.26884404	-0.7824275	0.40157464	-0.06286066	-0.51442707	-0.03349528	-0.051351458	0.091180675	-0.2365305	-0.1471125	-0.45502704	-0.9340914	-0.122597575	-0.22812077	0.41964552	0.5183188	-0.63352484	-0.28247735	0.54153794	0.68395555	-0.96786666	0.20823686	0.5126881	-0.51241654	-0.12535588	-0.39713702	-0.11590187	-0.40025216	0.27225816	0.18374647	0.54237276	-0.49130034	0.53119487	0.1645315	-0.55969316	-0.114973545	0.28280842	-0.22389984	0.13594584	0.3229206	0.15614945	-0.08306395	0.66928256	-0.99441683	0.36356887	0.47210014	-0.1430882	0.27891466	0.6969749	-0.56388515	0.99763685	0.07523482	-0.2301119	0.19953048	-0.10661962	0.1948222	0.07273646	-0.7379389	-0.36273038	0.262934	0.4062242	0.124008596	0.28232357	-0.36543047	0.69907546	0.6862315	0.779418	0.7806672	0.9994142	0.74418503	-0.18436551	0.22684483	-0.25043717	-0.7996958	-0.62212104	-0.3355969	-0.3280818	-0.04755732	0.16180186	-0.09243473	-0.43768454	0.053892374	0.8988129	0.39665228	0.2633459	-0.35836837	-0.44060412	0.23385876	-0.53517544	0.22262248	0.16909125	0.9073177	0.23693644	-0.5129235	0.6444414	-0.436062	0.044677846	0.22411181	-0.30368632	-0.20790313	-0.5004136	-0.86291593	0.66682	0.6909343	-0.052930184	0.74110574	0.12993829	0.19514959	-0.14621475	0.99991816	-0.1509889	-0.99065095	0.32791907	0.9996843	-0.72763526	0.14051652	-0.9980171	-0.18533735	0.75641537	0.8216255	-0.54815644	-0.2132074	-0.051457427	0.35712203	-0.2572505	-0.38641647	0.5660381	-0.29801515	0.16635749	0.089429855	0.14092119	-0.99998844	0.9935376	-0.98796964	0.33008054	-0.39540198	-0.49799147	0.63374376	-0.04835931	-0.85006034	0.31196868	-0.7842179	-0.0806764	-0.89821863	-0.27942973	-0.6186163	0.19441196	-0.42424655	-0.2404902	-0.6394613	-0.903756	-0.99995935	-0.501746	-0.407449	-0.1961097	0.35252607	0.12720959	-0.9444066	0.2848803	0.09019723	-0.17918643	0.34450522	0.5677999	0.09656848	0.98971945	0.21258698	0.8921468	-0.12446908	-0.45940924	-0.14017804	-0.38763478	-0.16836488	0.13806635	0.3876291	0.024744842	0.26473087	0.11367365	-0.25794822	-0.6287196	0.11251561	-0.24666865	0.05760732	0.7479533	-0.31589213	0.24879129	0.5680479	0.4475915	-0.28861514	0.24014884	-0.14748666	0.002333456	-0.29713437	0.9998594	0.8321722	-0.21406044	0.20654339	-0.037660267	-0.42174578	0.33575615	-0.68496186	-0.15930264	0.12800059	0.67585385	0.39407784	0.37698546
544	1	Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1	-0.43194088	-0.20249863	0.03947856	0.7462344	0.07096171	-0.37971175	-0.32043552	-0.26503837	-0.03405271	-0.5141287	-0.4803725	-0.21851327	-0.12165241	-0.5106355	0.54267794	-0.4782019	-0.3685279	0.14493535	-0.0295297	0.3746	0.7117697	-0.39418483	-0.24164422	0.54160845	-0.048131768	0.21557425	-0.6024843	0.04166292	0.38812935	-0.29724145	0.14450023	0.456977	-0.39941773	-0.093742676	0.25659403	-0.107490465	-0.3299233	0.7617147	0.98729926	-0.940603	-0.91787034	0.4853659	-0.69142455	-0.35536608	-0.042409495	-0.8522158	-0.054932795	0.54555583	0.85692126	-0.60663897	0.68593866	-0.19597541	-0.09836782	-0.10662211	-0.887424	0.2778672	-0.68908685	0.5018133	0.08323326	0.090764046	-0.23861362	0.21371701	0.85350186	0.17385285	-0.5426992	0.25991505	0.017569644	0.2848963	0.5236616	-0.05437099	-0.1807529	0.11755405	0.3541578	-0.9233502	0.837045	-0.5903766	-0.37679598	0.12121496	-0.25928062	-0.99457204	0.044635903	0.18915439	-0.8633789	-0.119984634	-0.025372574	-0.95846146	0.30164564	0.12528096	-0.32787368	0.25650042	-0.17143881	0.4050334	0.49433085	-0.38816673	0.8137348	-0.24806318	0.91771644	-0.06367115	-0.17701952	0.2664155	0.07883211	-0.055274326	0.47962844	0.85348576	-0.89010483	-0.77996254	-0.121379144	0.7399767	0.97881377	0.09580879	-0.25832438	-0.3859044	-0.15914254	-0.22048771	-0.06771633	0.27112073	0.5379094	0.59634614	0.9960716	-0.40467623	-0.39550227	0.33917943	-0.13361463	0.47816396	-0.2796805	-0.13810045	0.37911966	-0.047218267	0.5449209	0.9999696	0.16836736	-0.016027126	0.47934753	-0.36557966	-0.044269357	-0.9750526	0.6069481	0.420927	-0.6514781	0.3622279	-0.9997662	-0.45464945	0.98344	-0.076004446	0.08337745	-0.55037946	-0.10473634	-0.52184623	0.10550132	-0.31886125	-0.03441692	-0.37247175	-0.2654853	0.07931895	-0.64246327	0.56985027	-0.43594077	0.88384986	-0.6736889	-0.9236951	-0.9164236	-0.12095166	-0.51932144	0.108843304	0.32044205	0.32302126	-0.4798913	-0.4308761	-0.33530825	-0.16767576	-0.62690645	-0.18584596	-0.428222	-0.28627762	0.46604925	-0.48629087	-0.8002474	0.74440974	-0.61208385	0.18506579	-0.21213107	0.47262257	0.08730263	0.14318281	-0.7906225	-0.3781284	0.4111434	-0.10208243	0.005408146	-0.4109495	0.7761321	0.027998386	-0.039223406	0.051502995	-0.31224608	0.18712339	0.54944265	-0.835997	0.37391558	-0.18053904	0.21325105	0.073743396	-0.4254878	0.002549155	-0.031872682	-0.009971412	0.53717226	-0.6384059	0.35990834	-0.9989738	0.64626354	0.0791861	-0.31881082	0.135412	-0.06179211	-0.39626792	-0.16691154	0.20857053	-0.41469187	-0.5228296	-0.006343423	0.2692949	-0.59069544	0.62668514	-0.99162805	0.5857357	0.45203146	0.7376744	-0.4784146	0.08553413	-0.3605084	-0.28781134	-0.41643846	-0.6204947	-0.08632105	-0.47615805	0.085057504	0.29966918	0.09651307	-0.7464619	0.88681626	0.4764709	0.16702941	-0.28506586	0.8077615	-0.13895583	0.5614158	0.16349012	0.15298055	0.045541305	0.041421555	-0.72803366	0.18085611	0.5801277	0.13452074	-0.10383877	0.57545435	0.45845166	0.23084307	0.2798469	-0.1751233	-0.002676231	0.5076919	-0.51997143	0.38381276	-0.468882	-0.3654145	-0.71286416	0.84193724	0.8474225	0.31848243	0.89961565	0.36562613	0.2361777	-0.29406157	0.7797615	0.31504828	-0.4334904	-0.37528497	0.003873381	-0.0313234	0.9992967	-0.012993601	0.79900753	-0.52441406	0.7464536	0.26590455	0.82362974	0.9502311	0.04138953	0.30056056	0.9897675	-0.010657901	0.2239098	-0.58022964	0.3461757	0.99996907	-0.99832815	0.16100685	0.17680393	0.28639615	-0.04059582	-0.73426473	-0.063981265	0.7179137	-0.31973308	-0.2646797	-0.08657	0.17931996	-0.043111492	-0.017852474	0.43665203	-0.2385146	-0.25981018	0.89666855	-0.26175007	-0.008930017	-0.65483415	-0.9999055	-0.082496464	-0.014024634	0.09579712	0.6618458	-0.7485379	-0.4992795	-0.3290318	0.8527417	-0.9541961	-0.119067624	0.2723347	-0.4025807	-0.81322485	-0.29986605	-0.15545689	0.005371337	0.9386342	-0.024807494	0.7730248	0.22703241	0.32026097	-0.08955894	-0.49636582	-0.14893521	-0.106874205	-0.2787033	-0.08370379	-0.7195643	-0.10623105	-0.64480305	-0.21501043	-0.9908983	-0.13641943	-0.49966332	-0.78064054	0.55186415	0.5843329	0.21669005	0.9987911	0.17960641	-0.6893562	0.003217278	-0.2004237	0.76241803	0.16560712	-0.93257755	0.2322245	0.68452847	-0.3564068	0.47351962	-0.018804671	-0.5013571	0.5464628	0.4853236	0.5460384	-0.4311662	-0.97911245	0.27919322	-0.7550535	-0.49365318	0.24153568	-0.4811575	0.07670948	-0.1564559	-0.82712954	-0.7430047	0.17958553	0.09203033	-0.11966148	0.00858355	0.81324863	-0.009459885	0.32053047	-0.44165373	-0.22608317	0.5668377	0.19093327	-0.13941339	-0.575823	0.16830593	-0.19069143	-0.7175297	0.12041412	-0.039104793	0.11802779	-0.19635023	-0.5162729	-0.18819943	-0.6917987	0.16563395	0.5544457	0.2431281	0.5056577	-0.031609457	0.36333686	0.7525771	-0.35610935	0.9999994	0.0819313	-0.952663	0.49797034	0.9989501	-0.7132309	0.3082982	-0.9997722	0.26216546	-0.3774317	0.5256064	-0.20426643	-0.28141728	0.020943841	0.09023534	-0.77838975	0.29578486	-0.05689912	-0.030555105	0.19323121	0.7208016	0.48094705	-0.99999374	0.9999986	-0.8330876	-0.12803563	-0.13164721	-0.41218466	0.033962335	-0.21394181	-0.75718355	0.1350783	-0.16664517	0.29262096	-0.93433964	-0.5939318	0.10805998	-0.5156303	-0.1636463	0.3870143	0.14333296	-0.2307637	-0.99993324	-0.20259428	-0.11550176	0.5074892	-0.22610475	0.3426678	-0.99425656	0.3953847	-0.29616976	0.05369343	0.42013302	0.21481103	-0.17126378	0.97443044	-0.40734908	0.75082153	-0.12930706	0.49431708	-0.06716131	-0.45820662	-0.16378728	0.4728677	-0.08703858	-0.84677434	0.001162843	-0.6385305	-0.019503366	-0.17809027	-0.32808745	-0.4611962	-0.15061772	0.8025192	-0.25548935	0.5069331	0.46729767	0.9499024	-0.30568555	-0.21541552	-0.20653127	0.0887998	0.4160069	0.99973273	0.9625663	0.5905465	0.27266246	0.23679647	-0.080084555	-0.29383925	-0.9324842	0.35271552	0.003667831	0.47101063	0.12606974	0.111582965
545	0	CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1	0.5537114	0.43624288	0.01668175	0.48453298	0.4994119	-0.5694697	-0.5138508	-0.3419439	-0.54989606	-0.2876178	0.20810129	-0.09261276	-0.728247	-0.49966574	0.43897668	-0.19524688	0.35529384	-0.5480682	0.02599602	-0.5471274	0.52665454	-0.30181247	-0.007429806	0.31604862	-0.57894635	-0.039827608	-0.1557667	0.2979451	-0.5823356	0.49886465	0.41997018	-0.29806536	0.19829403	-0.5060347	0.41712713	-0.082863964	0.17904761	0.4763114	0.9988468	-0.78582776	-0.68067676	0.35790145	-0.41752166	0.26193777	-0.4078612	0.3061186	-0.23872818	0.2979336	0.87387466	-0.251536	0.86124986	0.25778422	-0.5506613	-0.59200495	-0.29212454	-0.20990223	-0.2825548	-0.6274159	0.24294034	-0.46685767	0.31876606	-0.097402565	0.118293725	0.42569157	-0.7245713	0.15532291	0.26989013	0.3771502	0.088897936	0.12199852	-0.84294987	-0.8037852	-0.20313448	-0.8243519	-0.052487165	0.46530375	-0.2768817	-0.1705736	0.15279801	-0.99935395	0.6913666	-0.5485702	-0.9084396	-0.3388849	-0.024930008	-0.91742104	-0.25160035	-0.3328798	-0.06863182	-0.16925079	-0.3790088	0.22695102	-0.6380364	-0.059086423	0.9991299	-0.15261732	0.3238243	-0.6169065	0.24442561	-0.2433267	0.63054144	-0.023383453	-0.07266987	0.9855698	-0.9964492	-0.97494745	0.36387634	0.4861852	0.96637577	0.28875807	0.2108524	-0.04610041	-0.22349587	-0.23486008	-0.53037393	0.052727252	0.58898354	0.34087133	0.95237935	0.24280913	-0.44191438	0.44198623	0.16175736	0.51356477	-0.27670982	-0.18040943	-0.21015543	-0.33359826	0.13497627	0.9996169	0.16154425	-0.026078587	-0.16867961	-0.030008217	-0.39122477	-0.98859346	-0.63303953	0.23313949	-0.043839574	-0.019069003	-0.99987495	-0.34664038	0.42225447	-0.2698986	-0.46620828	-0.48870513	-0.45464703	-0.22913472	-0.9694354	-0.032325126	0.78419006	-0.8107432	-0.19830655	0.32627136	-0.37470672	0.23700646	0.27618346	-0.2813322	-0.33439168	-0.94446874	-0.5856628	-0.45009914	-0.23285982	-0.09278044	-0.23831536	-0.4876711	-0.17829135	0.25573832	-0.8104222	-0.21503296	0.6651811	-0.106048025	0.069481716	0.647659	0.20215032	-0.63404685	-0.5956852	-0.20574719	-0.7624003	0.13437197	0.2574813	-0.9504827	0.57013935	0.3021998	0.25778097	0.13686214	0.7863461	0.28702426	-0.044908788	0.2536266	-0.17469278	-0.5905184	-0.27040228	0.003543981	0.20027535	-0.30664498	-0.3547781	-0.90838957	0.2636571	0.42287564	0.37765685	-0.3522171	0.37564963	-0.20585468	0.7382827	-0.43582126	-0.15620093	-0.7301365	-0.40188658	-0.9998445	0.42426255	0.019891525	-0.21573563	-0.3182814	0.6171704	-0.07772211	0.30853006	0.48943207	0.34516978	-0.5447361	0.6656614	0.12601398	0.60437864	0.69271094	-0.98682654	0.38933071	0.30315354	0.6905618	-0.21266001	0.6333034	-0.35669068	-0.096821725	-0.6021116	0.10261446	0.3005376	0.06283416	0.13845041	-0.6304378	0.3529908	-0.7209117	0.9458191	0.2706334	0.34924042	-0.47424638	0.86269	-0.033191692	0.3151273	0.4746379	-0.07211383	0.727096	0.11256891	-0.70270044	0.014073316	0.54732287	-0.005157538	0.27570552	-0.09826205	0.45875552	-0.060902145	0.2552317	-0.038203377	-0.26563713	0.12303421	-0.5261452	0.398181	0.3760796	-0.41067898	0.70797974	0.92819107	0.32154348	0.28786448	0.993341	0.40893874	0.3930508	-0.73277956	-0.62209105	0.3571506	0.24042086	-0.13902085	0.4590322	-0.07382784	0.994362	-0.25652304	0.22365333	-0.43919525	-0.43999684	0.26037636	0.79868436	0.7956613	-0.23577534	0.40468043	0.7873264	-0.39909086	-0.020200707	-0.39154437	0.36495608	0.99998003	-0.96966845	0.5922317	-0.039206203	0.031664733	0.37517375	-0.7115235	-0.25234288	0.45282894	0.020162225	-0.9888245	0.34602734	0.85076225	0.45365217	-0.549305	0.54688156	-0.4305916	-0.37863448	-0.1893397	0.5005977	-0.5868693	-0.031540494	-0.99992394	0.07161461	-0.4772469	-0.5079079	0.10242508	-0.7987415	0.17007478	0.31474447	0.48264042	-0.70362186	-0.18272926	0.5362876	-0.14091803	-0.46041036	0.22559762	0.3714087	0.14208367	0.4734535	0.3192934	0.13419412	0.1572257	0.72166806	0.38292843	0.01488829	0.011984254	0.7214412	0.036930755	-0.23849154	-0.5245077	0.63689345	0.010448433	-0.8695901	-0.8919187	0.027850455	0.19777842	-0.3844641	-0.4105298	0.4916415	0.3656262	0.9991458	0.8349794	0.10762453	-0.074011415	0.23619694	0.24837668	-0.6203488	-0.7766568	-0.20100524	0.020098189	-0.34488007	0.71938944	0.27451956	-0.002687497	-0.08383917	-0.3143927	-0.5887754	0.25594088	-0.9901085	0.68497795	-0.5337694	0.29550138	0.01445196	0.49594623	-0.57103944	0.24872987	-0.02017637	0.38205302	-0.5877828	0.7366786	0.23633972	-0.47676778	0.51806176	0.452031	0.096694104	-0.2891984	0.28551957	0.12007387	-0.010940107	-0.022116331	-0.062874794	-0.5757233	0.056838065	0.91678476	0.52382696	-0.22025523	-0.24961236	0.75113887	-0.52851355	-0.4509911	-0.10584096	-0.7516142	0.7368543	-0.54818696	0.34338266	0.28804764	-0.48820236	0.74349165	-0.12260396	0.99999976	-0.61660814	-0.9201317	-0.029152522	0.99934846	-0.4843142	0.054437	-0.9999129	0.11498245	-0.9252883	0.16660279	-0.26599357	-0.13863374	0.32233953	0.47967395	-0.20362082	-0.3398257	0.79179424	0.2498259	-0.3036054	0.2712206	0.5551354	-0.9999598	0.99999964	0.44290262	0.48245564	0.22751112	-0.36666608	-0.003122949	0.351724	-0.11775145	-0.014124136	-0.21213397	0.52914065	-0.56994396	-0.46165606	0.66101736	-0.6122211	0.15168244	0.255072	-0.2793142	0.82384646	-0.9995426	0.25993696	-0.19153953	0.74452513	0.29203653	0.056464627	-0.6254136	0.8294203	0.37252006	-0.33743405	-0.23811552	-0.81732386	0.056516703	0.98915493	-0.27066657	0.58765376	-0.23209833	0.23581769	-0.5895485	0.5461178	-0.68678	-0.5856409	0.05589399	-0.17274395	-0.50418806	-0.7692445	0.4844593	0.44066495	0.43781576	-0.31668463	0.71003217	0.86789644	-0.66367173	-0.12245903	-0.37411237	0.99831873	0.45341215	-0.39089176	0.28579757	-0.28103146	0.36638287	0.9999917	0.8103276	0.6994697	0.29769042	0.50555456	-0.27705002	-0.273851	-0.9956249	-0.20137861	0.20111002	-0.005187198	-0.18660331	-0.5003028
546	0	O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12	0.43520284	0.5184257	0.26461628	-0.15523651	0.02862992	-0.32321543	0.42624897	-0.20447348	0.2851297	0.30798638	-0.5143997	-0.21212617	-0.39112025	-0.6497595	-0.22517376	0.7670937	-0.13110732	0.02771451	0.24704948	-0.2042962	-0.49450433	-0.14491934	0.39287937	-0.08973292	0.17273986	0.36186585	-0.53002095	-0.5554385	0.41540354	-0.25382215	0.007943652	-0.43221477	-0.48486918	0.3669628	-0.24190944	-0.099560186	-0.5616425	0.7766012	0.9996878	-0.8601917	0.5485637	0.123934105	0.6117863	0.2922126	-0.100176886	0.97984976	-0.3011487	-0.13442399	0.8961805	0.25291085	0.6651734	-0.6266358	0.3024522	-0.4790768	0.17233092	0.04230127	0.16284516	-0.9497763	0.22975345	0.0706067	0.027500551	-0.3773517	-0.10665276	-0.67741597	-0.3266168	0.1045655	-0.60339636	0.5408562	0.21878278	0.85455114	-0.80880296	0.42631918	-0.14494179	-0.82343376	0.85292846	-0.37820628	-0.4717359	0.5000636	-0.37815773	-0.9993472	-0.65532374	-0.16254762	-0.88482994	-0.07711126	-0.06418186	-0.9809583	-0.1332981	-0.13880356	0.12413579	-0.16237232	-0.5110622	0.6926959	-0.1533691	0.04861481	0.99620634	-0.2401523	0.702244	0.07376134	-0.30586657	0.16643512	0.32013568	0.36425093	-0.4809759	0.99490917	-0.9999011	-0.70228237	0.23771651	0.695782	-0.99969995	0.5845491	0.28758124	-0.38187182	-0.5365625	0.40285194	0.117100306	0.7807104	0.064611085	0.48716006	-0.29864925	0.6094015	-0.77940756	0.36582434	0.17934261	0.18769698	-0.69284314	0.6160746	0.6643287	0.26411834	-0.65536827	0.9999745	-0.2096222	0.5791456	-0.4940596	-0.27812576	-0.71781933	-0.7806056	0.08067962	0.5593152	-0.08860128	-0.6511316	-0.9999999	0.40693167	0.2128208	-0.30522454	0.009390912	-0.46333924	-0.16465805	-0.085789084	-0.9998725	-0.5986777	0.08755655	-0.7885665	0.49093005	-0.06930774	-0.20557655	0.2872923	0.3178791	-0.99776196	-0.8305167	-0.49542806	0.8042935	0.32002217	-0.032882392	0.39395782	0.18701495	0.5516608	-0.2988338	0.53611726	-0.21084571	-0.9412643	0.57940745	0.1664058	-0.12625399	0.45976773	0.049333878	-0.75982827	0.5138276	-0.24124052	-0.70277953	-0.608823	0.39648733	-0.38770974	-0.10797512	0.6810718	0.87708163	0.003977395	0.17786238	0.69337845	-0.24961054	0.30577666	-0.18229054	-0.18619855	0.130215	0.41233838	-0.3899546	-0.4338992	0.1445845	-0.18094513	-0.051708333	0.054764424	-0.86902183	-0.47715467	-0.4795766	0.4931945	0.035030715	0.27861482	0.3630403	-0.3024746	-0.48325786	-0.9999083	0.14847785	0.44130313	0.19139895	-0.2296052	0.30575037	-0.21049811	-0.4014683	0.044542823	-0.1055547	0.04130198	-0.5230182	-0.33429834	-0.82555485	0.20106001	0.9999073	-0.18178917	0.47451326	0.15153542	-0.09799254	-0.43888122	-0.2835422	-0.18799798	0.6926831	0.09796854	0.39780846	0.5552252	-0.06947942	0.057249587	-0.19692431	0.19477423	0.77583915	0.034081265	0.28888297	-0.5093602	0.59496593	0.18859196	0.5821986	-0.45228344	-0.10410275	0.18650976	-0.41990268	0.7888333	-0.15337369	0.47522986	0.7675266	-0.3833792	0.067209534	-0.038034886	0.5191133	-0.4441782	-0.08579286	0.7252559	-0.20137551	0.14672656	0.09042785	0.24774279	0.5991814	0.024236344	0.122307375	0.6466795	0.3560988	0.9966891	-0.28430477	-0.42765075	0.69228244	0.71868646	-0.49614248	0.5685973	-0.22425549	0.14716004	-0.071266554	0.61738443	-0.6058631	0.16018404	-0.62530816	0.2364463	0.3142119	0.7237836	-0.64570504	0.037536792	0.59905845	-0.9431635	-0.20472428	-0.78051275	-0.61699957	0.7132328	1	-0.99666256	0.21546197	-0.26474833	0.18336217	-0.24244218	-0.42245325	0.19425939	-0.2413889	-0.8459669	-0.9998579	0.6907012	0.96407217	0.1745448	0.59603155	-0.18918331	0.6230769	0.07562994	0.60567254	0.07549239	-0.50466156	-0.47295672	0.89008504	-0.10970221	-0.4025358	-0.22584324	0.001024939	-0.8490287	0.13698202	-0.09378726	0.37064138	-0.87917656	0.5546874	0.3305151	-0.25391787	0.57042676	-0.42111522	-0.59625167	0.08703339	0.95257115	-0.38445714	-0.24061348	0.4108808	-0.74306446	-0.23982634	0.50700307	-0.27085826	0.28536922	0.08191121	-0.04551849	-0.1764054	-0.46693778	-0.43720698	-0.9925784	0.570274	-0.30480793	-0.70720696	0.21806988	0.018000515	0.36449543	-0.06981644	0.99935997	-0.62820053	0.14434482	-0.52240694	0.24656753	0.20308189	-0.07599698	-0.9387335	-0.26667914	-0.5312603	-0.30770063	0.17594522	0.49198097	0.22532958	0.56354076	0.18824507	-0.7635013	0.52096176	-1	0.27716175	0.55672956	0.14703691	-0.10082753	0.5308838	-0.22311993	-0.2611797	-0.64103353	-0.40496543	-0.1114573	0.62198955	-0.1766832	-0.10054482	0.33286577	0.1722778	0.1916377	-0.46350095	-0.83690953	-0.31686547	0.58599377	0.25855413	-0.5151622	-0.7592379	-0.649062	0.8753744	0.2931623	-0.4099442	0.006540646	-0.58825886	0.30007324	-0.4232146	-0.65301067	0.1470848	0.18224609	0.43971223	0.72054464	-0.33477518	-0.26973435	0.38274232	-0.58571035	0.92630607	0.7365845	-0.9888112	0.1737242	0.9955511	-0.69758195	0.030026685	-0.9896706	0.28627712	-0.9690559	0.19350158	-0.08241642	-0.9082364	-0.622457	-0.6239676	-0.9273612	-0.014325618	0.49333167	-0.13202277	0.2740104	0.14665312	-0.5837533	-0.9989192	1	0.9696185	-0.4174564	0.13124627	0.3742393	0.18330522	-0.6988967	0.098131955	0.4988194	-0.24883789	0.11118411	-0.7688583	-0.6655129	0.1534762	0.34962875	0.27085203	0.366966	0.11482456	0.9960039	-0.9775373	0.04068191	-0.14029871	0.6152635	-0.011435553	0.4153049	-0.8170378	0.4536385	-0.6601026	-0.25141492	-0.31534255	-0.15136902	0.047480553	0.99231637	-0.23468114	0.4790132	0.81932455	0.7841244	-0.6685512	-0.73590016	-0.45312646	-0.73982733	0.19250607	-0.41222924	-0.97366977	0.16897808	-0.09047572	-0.020947173	0.05508918	-0.36452127	-0.49909627	0.32461134	0.46929783	0.16795172	-0.1192546	0.9998115	0.13376789	-0.36227155	0.010537721	-0.214767	0.4135747	0.9997547	0.8551961	-0.48433092	-0.5149692	0.44245982	0.10512199	-0.22534429	-0.9984183	-0.5766959	0.85114914	-0.5353328	-0.053342056	-0.1898689
547	0	CC(C)=CC1C(C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C	0.339162	-0.56646407	0.24444015	0.33985907	0.67161447	-0.55941325	-0.39627206	-0.24517345	0.4799274	-0.6676215	0.21428546	-0.46164778	-0.6009952	-0.2301887	0.7671912	-0.47324407	0.49484384	-0.93155235	0.43287027	0.19890012	0.46099442	-0.2173133	0.34356543	-0.27711582	0.052685406	0.2561905	-0.20027816	0.13109574	0.017844364	0.77204645	0.025871098	0.13875571	0.6566769	0.14747633	0.45496732	0.023161337	-0.49817717	0.40864018	0.9993153	-0.2676802	-0.8352993	-0.23760131	0.1702905	-0.69676846	-0.8976772	0.07324525	-0.5889328	-0.598495	0.9932274	0.21815807	0.47677878	0.8835973	0.06786046	0.22753213	-0.3465735	-0.33885616	0.17826228	-0.6456067	0.18988456	-0.110269524	0.5877622	-0.69305855	0.47485635	0.71588874	-0.3562147	-0.20324615	0.85727257	-0.4174482	-0.4462601	0.05071025	-0.18379124	-0.39978743	-0.59650296	-0.031853266	0.83534324	-0.54688656	0.5722772	-0.3336595	-0.04833897	-0.99985456	-0.08500403	-0.6970526	-0.9571417	0.3517117	0.2332036	-0.9597309	-0.6245627	-0.59398615	0.29597136	0.21223915	-0.15444694	-0.2882693	0.43271065	0.18019818	0.98856884	0.41165608	0.77785754	-0.03432571	0.35417077	0.099771105	-0.13300988	0.03101644	-0.50603557	0.989578	-0.99735576	-0.16981067	0.11458004	-0.052648425	0.9710156	-0.6114421	0.10318122	0.4943801	0.6806649	-0.085543096	-0.42986348	-0.10571809	-0.83646667	-0.10552377	0.9504016	-0.018293478	-0.41392308	0.5592056	0.38750514	-0.01815027	-0.20024689	0.06672664	0.22257718	0.23250261	0.22081234	0.9999259	0.59519696	0.34247065	0.38513958	0.36690363	-0.033093516	-0.9924101	0.14557418	0.2963676	0.26982015	0.1685655	-0.999995	-0.15067433	0.82581013	-0.15974565	0.45953873	0.66357785	-0.69314736	0.6719967	-0.979985	0.053501926	-0.41316354	-0.5427	0.7758937	0.5814443	0.09575445	0.07946533	-0.45270303	-0.40528643	-0.83409864	-0.94647396	-0.59291255	0.723426	0.5114597	0.20347962	0.041118316	-0.28385076	0.5165184	0.42734683	-0.0554238	-0.071131274	0.5896747	0.4115907	0.61895597	-0.19878568	-0.031020716	-0.94107646	-0.22542892	-0.195528	0.6082099	0.04751484	-0.029218266	-0.31588703	0.20496517	-0.41235942	0.17428997	-0.4262822	0.6256479	-0.06721221	0.3528666	-0.269025	-0.90611565	-0.12167657	0.62084615	0.446222	-0.009241045	-0.5002334	0.32120356	-0.9188546	0.32656425	0.2112193	0.27504936	-0.681855	0.3353839	0.03174486	-0.38426197	-0.11313785	-0.55975753	-0.51644546	0.8377221	-0.9998903	-0.68867147	-0.48348558	0.2113774	-0.69441223	0.22675927	-0.1899421	0.4816608	-0.6797445	0.6032015	-0.3094663	0.14005752	-0.25013298	-0.09633838	-0.6719349	-0.99012136	0.6521223	0.20823938	0.14697282	0.40806538	-0.20309588	-0.53728485	0.11217886	-0.44982177	0.18071175	-0.27341843	-0.14369127	0.66243285	0.14686541	0.6613255	-0.16987331	0.9339081	0.7476668	-0.5515954	-0.60691994	0.12927827	-0.37956837	0.426708	0.21690503	0.040320437	-0.42569	0.27699327	-0.7491807	0.26876694	0.38214993	0.6928365	-0.03452665	-0.54017454	0.25534165	0.3035546	-0.22519396	-0.7817971	0.10128904	-0.34273928	0.057890587	0.15801042	0.532322	0.5539636	0.16743745	0.96377957	0.36965132	-0.07437702	0.99681604	0.025900772	-0.056132052	-0.7234043	-0.14045203	-0.2910682	-0.79818696	0.25613716	-0.8711034	-0.091843486	0.99593663	0.67458105	0.5083852	0.7196451	0.2127096	0.067354195	0.8957078	0.88349766	-0.37636518	-0.18774985	0.7332578	0.5329306	-0.2471752	-0.72016364	0.36271456	0.9999996	-0.9910234	0.03411089	0.3658981	0.2999004	0.11106138	-0.30691668	-0.6843789	-0.13258643	-0.44874915	-0.9876324	-0.40712166	0.90285546	-0.57374567	0.5540821	-0.45427674	-0.47016096	-0.2354517	0.7765696	-0.6289835	0.6810921	0.47778654	-0.9999421	-0.32474184	-0.75476694	0.62315387	-0.32716122	-0.52291083	-0.24948606	-0.12694433	0.035023615	-0.8466916	0.15657212	0.62303513	-0.52400845	-0.051354837	0.09186231	0.19017684	0.166887	0.809841	-0.037611075	-0.043382164	-0.15834066	0.47834405	0.1802962	0.29414818	0.561734	0.65599954	0.26159316	0.23053342	-0.5393139	-0.55744994	0.1680322	-0.8731216	-0.8989616	0.33604386	-0.6480737	-0.35904703	0.3356805	-0.5691835	0.7287398	0.99960977	0.42777815	-0.08697965	-0.7910809	-0.37577626	-0.3611675	0.5286907	-0.9021035	0.8765735	0.36210325	0.2213281	0.37168616	-0.673748	-0.6271739	-0.25859907	-0.5394165	-0.027818764	-0.015231093	-0.99551374	-0.24995668	-0.06296224	-0.22276112	-0.40573213	-0.4966077	-0.02448675	-0.08087914	-0.25169864	0.17311573	0.21258722	0.24944471	0.7688491	0.4981652	-0.6739405	0.5678738	-0.06879391	-0.4696624	-0.16129217	-0.046123203	-0.003051681	-0.33338326	-0.3610182	-0.7396375	-0.53285867	0.34959856	0.26847604	0.5831517	0.073007785	0.12044355	0.84904724	-0.59559894	-0.3101503	-0.08209728	-0.6620134	-0.07216941	-0.57221967	-0.3995847	-0.34312588	-0.39677075	-0.34274104	0.9999995	0.11137066	-0.9780967	-0.086533025	0.9987036	-0.68002677	0.260753	-0.99990577	0.4496698	-0.9202959	-0.664393	0.036517594	-0.08402785	0.5221838	0.45878386	-0.8460549	-0.5265704	0.3144242	0.69947726	-0.53323877	0.5013005	-0.7368098	-0.9999547	1	0.5107806	0.386948	0.49724695	-0.04278573	0.18008482	-0.22600953	-0.29865152	0.10184988	-0.54378325	0.114068285	-0.7762771	0.08839392	-0.70299536	0.26132405	0.8134762	0.19466814	0.056243487	0.83575606	-0.99966764	0.17386611	-0.089449055	-0.008562979	-0.042811073	-0.3032231	-0.9561611	-0.012713037	-0.13158138	-0.011960352	-0.6015726	-0.35676977	0.5642923	0.8609863	-0.33122456	0.52372456	-0.13595884	-0.09165373	0.6497433	-0.10414546	-0.45241114	-0.028332587	-0.6362035	-0.7552313	-0.90223885	0.67549914	0.111896865	0.7712199	0.24993873	-0.20876229	0.1561781	-0.085315496	0.27853298	0.2564123	-0.46431845	0.99804157	0.6427984	-0.2688616	0.16006298	-0.35445705	0.22466719	0.9998835	0.12000421	0.103398	0.5847078	-0.39924604	0.026191272	-0.24182135	-0.99745536	-0.047384646	0.79342514	-0.42492223	0.39580855	-0.29764467
548	0	COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C	-0.7579227	0.121199206	-0.37514386	-0.12243842	-0.6452771	-0.45242944	0.22523965	-0.043668304	-0.26373845	0.5704428	0.44760892	-0.12338546	-0.12667112	0.82286686	-0.6364391	0.3377239	-0.7459046	-0.15521157	-0.15651387	-0.050072465	-0.61081547	0.33932015	0.17332304	0.5614592	0.21086177	-0.7721338	0.029091747	-0.36023694	-0.2772479	-0.012509368	0.62294555	-0.3670478	0.40519044	-0.65782344	-0.4268724	0.667836	0.014957175	0.58531046	0.99974215	0.09179403	0.8993485	-0.48946947	-0.26154205	-0.12853473	-0.22294551	0.9971709	-0.37010008	-0.5195562	-0.80692863	-0.24054776	-0.2080645	-0.025246486	-0.46935815	-0.78460115	0.8519802	0.014383132	0.012983175	-0.99363136	-0.467208	-0.5471144	0.23423034	0.09203234	0.36999992	-0.6787185	0.63929737	0.60533035	-0.50922626	-0.4884863	0.32391095	0.8031139	-0.9989005	-0.903987	-0.023951178	-0.44723162	-0.09571244	0.07002981	-0.426136	-0.21178225	0.6045632	-0.99947816	0.6045261	0.28490335	-0.9814146	-0.15389377	-0.20912679	-0.88055426	0.6519181	0.30446178	-0.23737225	0.28688234	0.016464733	-0.3308409	0.2422539	0.59742725	0.9999176	-0.7787553	-0.15162665	-0.25918478	0.08975696	-0.60170966	-0.28913513	0.36615947	-0.5642443	0.97068805	-0.99997395	-0.82329273	0.12219069	0.67148155	-0.99896353	-0.11246111	-0.1814652	0.050204348	-0.24186876	-0.03622409	0.1882536	-0.1349297	0.5763936	-0.4292491	-0.94424224	0.7275543	-0.031145234	-0.53519773	-0.15165932	-0.13311054	0.057299275	0.6979522	0.10240121	-0.30430332	0.053048197	0.99747306	-0.24629994	-0.33857492	-0.41145045	-0.36585099	-0.74831986	-0.99559724	-0.39580202	0.14602509	0.32509398	0.7347928	-0.9999999	0.3881281	-0.8635183	0.14494549	-0.1039979	-0.47186095	0.06415493	0.38392505	-0.999979	0.031069921	-0.24582866	0.9462523	0.35755497	0.17160667	-0.65601325	0.81019384	0.17148672	-0.99985373	-0.8098245	0.30178946	0.96686774	-0.6002915	0.6158762	-0.3176879	-0.10206484	0.048656918	0.21256927	0.25601217	-0.18668169	-0.4716858	0.3355586	-0.0573643	-0.016863082	0.16136496	0.23423372	0.49545044	0.89157534	0.57078505	-0.5983605	0.32206827	-0.49322692	-0.91843873	-0.24992268	-0.5435244	0.96650183	-0.55883265	0.37171295	0.70785356	-0.07108237	0.23805863	0.6536547	0.3501001	-0.5598263	0.33994648	0.044222437	0.16993761	-0.67204094	-0.92966056	0.43126678	-0.1318535	-0.53751075	-0.12228741	-0.74735093	-0.5867865	0.11108542	0.3977057	0.3309719	0.42197132	-0.37519246	-0.99985343	-0.49573457	0.8071398	-0.6176612	0.23645726	0.16549714	0.24172758	-0.04194313	-0.76046586	0.040824663	0.5576881	-0.5648989	-0.30178276	-0.7225825	0.25113285	-0.9726797	0.26778087	0.65654343	0.07217012	-0.098795965	0.5214838	0.24904737	-0.30596113	0.38730764	-0.77851266	0.29371384	0.26685867	-0.49561897	-0.5842655	0.60500467	-0.35105804	0.93662775	0.54845864	-0.0810226	0.40038022	-0.6996459	0.59818745	0.19785468	-0.22972128	0.37352693	0.38903034	-0.52418745	0.54399973	-0.4687019	-0.17189425	0.34864855	0.42237312	0.32704616	0.44471815	-0.14101768	-0.030654367	0.082293145	0.27102813	-0.36650422	0.070892125	0.6669232	0.46838507	-0.50981575	0.47825685	0.663863	-0.08435075	0.311292	0.9996905	-0.44210833	0.33273724	-0.39853323	-0.82524794	0.7970173	0.49325407	-0.74034995	-0.36505485	-0.28239673	-0.76895195	0.19521306	-0.53468144	-0.6680777	0.110733375	0.15421703	0.61882883	-0.9954217	-0.10268462	0.45141914	-0.99778044	-0.7744179	-0.05382475	0.44639164	0.6018418	1	-0.93853265	0.2479459	-0.5089899	0.31636596	-0.46380308	0.17671144	0.026762575	0.16662428	0.5489516	-0.9999617	0.61563647	0.78967315	0.44602522	-0.6884084	-0.7528182	0.44315064	0.526761	0.37761024	0.5309324	-0.28317374	0.5502261	0.9360083	0.28828245	0.07170799	-0.031278044	0.43009806	-0.49129796	-0.08068044	-0.03795898	-0.07585985	-0.05286789	-0.67436635	-0.64042294	-0.18573809	-0.6166256	0.38654143	-0.33942184	-0.3465952	0.18227567	0.5836584	-0.51674765	0.7042124	-0.10640784	0.3856828	-0.46749124	0.15014093	-0.5824884	0.42766294	0.1932804	-0.14312068	0.034887265	0.34073588	-0.9988754	0.97508824	0.06759414	0.2608819	0.10673728	-0.12178831	-0.07882088	-0.30645323	0.9990927	-0.6012641	-0.7958224	0.64020765	-0.2516847	-0.40923238	-0.554321	-0.38700265	-0.4730376	-0.12543416	0.2835039	-0.62430435	-0.3739486	-0.21632622	-0.59279037	0.09791721	-0.9649838	-0.52379656	-1	0.016938576	-0.48221734	0.37095723	0.5688374	0.9246433	0.04199398	-0.38258663	0.62425923	-0.38972625	-0.74990845	0.6504434	0.07839969	-0.05452232	-0.6828936	0.5153009	0.22331966	0.32488987	0.29325664	0.65100354	0.4931682	-0.6279427	-0.19958644	-0.61762756	-0.40507773	0.99654937	-0.46500278	0.11546011	-0.62238646	-0.24701783	-0.8504539	-0.085999	-0.7653749	0.18846206	0.6327115	0.5055058	0.3698401	0.20231144	-0.48645553	0.6420995	0.1299003	0.89040744	0.3936358	-0.96386063	-0.4262557	0.99165606	0.44187343	0.13190095	-0.9869907	-0.19469263	-0.96623236	0.22618541	-0.07818948	0.31682175	-0.7240113	0.052864026	-0.40989223	-0.01797198	0.41905954	0.024470046	-0.2792481	0.043254305	0.12985162	-0.9363687	1	0.995517	0.14670168	0.6876629	-0.5427699	-0.4244372	-0.13406552	-0.35665685	0.6486553	0.5442304	0.04082774	0.14818533	-0.49398813	-0.051519074	0.5005223	0.26672393	0.43117484	0.42824492	0.9989408	-0.38695005	0.080874115	0.46504822	0.69066	0.29284334	0.3805977	0.626293	0.27831936	0.7026211	0.4984931	-0.24310005	-0.22212549	-0.474415	0.8938255	-0.09216697	0.91716766	0.43207565	0.6278542	-0.49128368	0.26073566	-0.15508841	-0.22952576	0.0766819	0.15646586	-0.8988409	-0.13738692	-0.0615963	0.38925713	0.43352374	0.1004179	-0.22558072	-0.55578864	0.17337814	0.19770034	0.6269537	0.9997789	0.4464352	-0.033628225	0.29945537	0.112025976	-0.7795297	0.999854	0.37969923	0.34490958	-0.1296693	0.6133936	-0.51557225	0.009892743	-0.9996125	0.41042647	-0.89091736	0.5833338	0.05047974	0.33488315
549	1	C=C(C)C1Cc2c(ccc3c2OC2COc4cc(OC)c(OC)cc4C2C3=O)O1	0.61076313	0.21975347	0.34943047	0.4040778	-0.012844628	0.119329534	-0.011621728	0.34619597	-0.57588875	-0.6627385	0.5543409	-0.3221814	0.46364403	-0.5490908	-0.18462431	-0.43118876	-0.104284756	-0.64565593	0.5979526	-0.48774686	-0.46315634	0.46007666	-0.2375165	0.43265793	0.24500233	-0.4338874	-0.68996245	-0.18841124	-0.20663066	-0.31362146	-0.40711093	0.08993905	0.6306667	-0.36527485	0.35891703	-0.004806273	-0.16729382	-0.086469255	0.99989754	-0.48675606	-0.36666667	0.3087569	0.12101324	0.41494885	-0.13999817	0.8657058	-0.31593868	-0.03320233	0.8098246	0.7435255	0.59325784	0.17643447	-0.16647735	0.15667434	-0.0589877	-0.72477937	-0.4834927	-0.9297659	-0.28415892	0.026570264	-0.09732646	-0.36595237	0.03387481	0.68873715	-0.5532609	-0.20298871	-0.38064012	-0.29183012	0.4355178	0.1532697	-0.52746373	-0.9080576	-0.42419323	0.25732124	0.07319906	0.42089438	-0.2505736	-0.50078696	0.58175457	-0.9996761	0.7501385	-0.4171868	-0.94283587	0.18751173	0.42750892	-0.8519693	0.07164806	-0.7913062	0.7076344	-0.46678782	-0.14627261	0.47238633	-0.31153747	-0.052051246	0.99925816	-0.61776215	0.5513267	-0.6719193	-0.7382719	-0.32165945	0.39828908	0.5650549	-0.17498346	0.7788898	-0.9997787	-0.82661414	-0.1829936	0.6469486	0.9520628	0.2432437	-0.43607184	0.041865665	0.7579149	-0.2955407	0.6087661	0.104405455	0.22963746	0.34118617	0.77016294	0.6098189	-0.10927012	-0.24131371	0.15743126	-0.11849914	-0.115815155	0.08523145	-0.4462676	0.2010247	0.097140335	0.99897534	-0.5562993	-0.26462522	-0.79198223	0.5637696	0.001848686	-0.9647315	0.3585469	-0.1583992	0.34998918	-0.67802244	-0.9999905	-0.60749495	0.11246742	0.18284349	-0.035472717	0.42320833	-0.042324927	0.5388736	-0.9989285	-0.19335195	0.5825885	-0.70151114	-0.24476075	0.14023976	-0.72419024	-0.45051128	-0.83161163	-0.96842957	-0.4262542	-0.8737075	-0.058137167	0.47051305	0.10414149	-0.46084112	0.29901868	-0.71575356	-0.6293907	0.6614408	0.10716201	0.17604645	-0.4276193	0.56471926	-0.3118072	0.19255522	0.12991878	-0.7652483	-0.34067196	-0.4320035	-0.3984236	-0.008206648	-0.19550411	-0.9233173	0.5913662	0.59900534	0.9137496	0.2810457	-0.45187527	0.04359768	0.50992507	0.7713516	0.4255033	0.60088027	-0.35477367	0.1384507	-0.47561082	0.16056445	0.048162628	-0.90869004	0.104089856	-0.36110967	-0.33533955	0.5407154	0.76211494	-0.1347434	0.4010938	-0.2176345	0.6419748	-0.40957677	0.32538065	-0.99993855	-0.16821884	-0.6165989	0.52916807	-0.6452083	-0.015523541	0.52109814	0.32419756	0.6234614	-0.44759715	-0.60057837	0.31477553	-0.26684725	0.10357207	0.64752305	-0.9807732	-0.2804554	0.043350223	0.49070454	0.35801086	0.68552893	-0.16819388	0.47284904	0.4349205	-0.09419896	-0.3443608	-0.013666888	-0.12613486	-0.06927447	-0.16397405	0.06862576	0.90873253	0.39137492	-0.20835191	0.214948	0.46247348	0.40542048	0.7787746	0.44093603	0.038588855	0.38772762	0.15272802	0.6509937	-0.06346336	-0.1063587	0.08353978	-0.2034324	-0.41012636	-0.17841318	-0.3207454	0.7181403	0.19198589	0.1735032	-0.4794324	-0.43203598	0.55603594	0.20288149	0.31563985	0.3683161	0.8961357	0.22617285	0.31172445	0.999894	0.5659101	-0.006342846	-0.31829762	-0.79202765	-0.85123765	0.14262103	0.6013874	-0.097496994	0.17887433	0.9406239	0.620667	-0.08998414	-0.65458727	0.10858443	-0.010572964	0.7949095	0.81829333	0.6591561	0.79015183	-0.37333485	0.7846175	0.07970069	-0.73471206	0.12889318	0.9999998	-0.9429101	-0.015644476	-0.8463189	0.3442038	0.27483925	0.48047733	-0.018960914	-0.67092234	-0.93692124	-0.9991197	0.066081606	-0.051576555	0.21442226	-0.46051896	0.40267622	-0.18512237	0.220563	0.16145265	0.13601042	-0.15102573	0.010324474	-0.9996915	0.46750668	0.7975206	-0.6077146	0.29405588	-0.32118464	0.6944486	0.17172465	-0.73789024	0.4102777	0.52071285	-0.019065408	0.06514007	0.62119824	-0.3288086	0.6821531	-0.6795883	-0.049928483	0.6045775	0.42285353	0.20310356	0.55674815	0.3940219	0.5290641	0.007433329	-0.5080036	-0.15417649	0.29701304	-0.32109302	0.031582914	0.43605414	-0.9773435	0.017817443	0.5062304	-0.25220436	0.50024444	0.34775048	0.4545734	0.12645026	0.9981366	0.29206657	-0.1426849	0.1788344	-0.047352783	0.73507965	-0.48758602	-0.7422904	0.001235096	-0.504512	0.818395	-0.32953176	0.3893458	-0.055517554	-0.44293544	0.53467953	-0.8052377	0.000871421	-1	-0.010176869	-0.42339832	-0.6395513	-0.12732038	-0.38703203	-0.49070558	-0.4393843	-0.41693264	0.11163351	-0.21526696	0.23184831	-0.5711084	-0.040898312	-0.84149253	-0.002699303	0.7044828	0.287351	-0.20282654	0.31877354	0.22188623	0.57552856	-0.6661209	0.55818814	-0.5269771	0.9478377	-0.39453334	-0.22245304	-0.29631612	0.5640783	0.20656356	-0.53425616	-0.38139504	-0.5977981	0.64741087	-0.8993786	-0.3686096	-0.27975166	0.05989029	0.4365035	-0.6173246	0.9999976	0.2169926	-0.9637793	-0.6434784	0.9984039	-0.49961963	0.63336456	-0.99988383	0.6294682	-0.83823895	-0.15138112	-0.044850226	0.011952765	0.049963057	-0.2511279	0.031264216	-0.38063216	0.15021142	-0.08700959	0.45751768	-0.3105295	0.21013533	-0.9997902	1	0.7302693	-0.3736633	-0.32582998	0.7046714	-0.0777972	0.4911962	-0.24676591	-0.7522825	0.124178216	0.48942125	-0.46785188	0.27740273	0.2344482	0.4800198	0.38706195	-0.6066673	-0.15126581	0.9682103	-0.9970176	-0.33910143	-0.5027668	0.033303585	0.22928314	0.11858305	-0.167397	0.4856647	0.38004762	-0.54065305	-0.3654121	-0.1790495	0.28896138	0.81906575	0.20657499	0.4762761	-0.56197464	-0.22544377	0.4665355	0.1396589	0.14180355	0.38350815	0.017453073	0.07819601	-0.97974336	0.3476481	0.13741618	-0.46621028	-0.47427636	0.6113888	0.36338446	-0.4075102	-0.5631066	0.08406027	0.13642396	0.9995291	-0.29283097	0.24945526	-0.7447669	-0.14292248	0.23645622	0.9999236	-0.18707377	0.5201345	0.2793664	0.1469495	0.31306082	-0.19380283	-0.99945354	-0.20215869	0.27760527	0.28411156	0.6892817	0.19599223
550	1	C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O	0.8604327	-0.47617677	-0.05565223	0.3884703	0.5573889	0.08366553	0.38391674	0.17264527	0.5980961	-0.23875752	-0.111674376	-0.7358954	-0.30395427	0.782021	0.21137291	-0.9082447	-0.1464086	0.2633054	0.42422813	-0.26400074	0.14608386	0.47056645	0.7959157	-0.54097813	0.16711539	-0.028626036	-0.31203824	0.08127237	0.03623796	0.34384194	-0.16974175	0.099243365	0.16605513	0.11149264	0.5211171	0.59869987	-0.64033884	0.23749836	0.99929434	0.1245819	-0.73109967	0.3318106	-0.100521185	-0.61530805	-0.05119681	-0.31693116	0.39066482	-0.20931499	0.99613035	0.4252681	0.10288563	0.58955103	-0.11561586	-0.064417765	-0.3851519	0.16888466	-0.060856223	-0.62840194	0.53368175	0.32989192	0.41384664	-0.25383693	0.15169485	-0.23821336	0.35755065	0.39592806	0.43421417	-0.6959346	-0.13406172	-0.086177066	0.16778669	-0.7656029	-0.44696656	0.8362124	0.577464	-0.22008494	0.5842775	0.2605389	-0.122393936	-0.99977386	-0.131418	0.021041771	-0.80568033	0.626704	0.1822576	-0.7992529	-0.2990121	-0.6001629	0.6654868	0.61610353	-0.3956294	0.36248842	0.2138614	-0.40716404	0.9951074	0.27582973	0.55464524	-0.030636234	0.04914632	-0.046718303	-0.037661552	0.6756361	0.2962582	0.7095798	-0.99697745	0.24468254	-0.58959335	0.5711405	0.95990604	-0.6353083	0.4191421	0.42106256	0.59858406	-0.5804811	0.53439355	0.3449075	0.3244257	-0.094508454	0.97809964	-0.32476905	-0.01232336	0.23147865	0.58696234	-0.6272099	-0.46258798	0.21248937	0.34733507	0.25446945	0.5180562	0.99962723	-0.07975094	-0.2397731	0.28464735	0.101550855	0.44023585	-0.9944989	-0.27403533	0.5321906	0.034219027	-0.64686507	-0.9999716	0.30403882	0.7723873	0.20870593	0.3832584	-0.46471575	0.06290922	0.53381443	-0.957763	-0.16035154	0.30062225	-0.87231284	0.73390466	-0.362269	0.40751368	0.36926228	-0.5099814	-0.24517982	-0.847122	-0.9040766	-0.6477166	0.70801544	0.61459714	0.22217545	0.70170414	-0.39048234	-0.51744956	-0.23888233	0.11416929	-0.23820291	-0.3236087	0.079584956	-0.3941562	-0.591761	-0.27888533	-0.8734372	0.58009887	-0.047551226	0.6698135	-0.04091972	0.10003458	-0.8842858	-0.2221754	-0.014480433	0.67304546	-0.583124	0.26351485	0.6449774	0.12982124	-0.16320284	-0.7698837	-0.1360641	0.20079431	-0.05909254	0.20726418	-0.6073353	0.5239596	-0.9142146	-0.22499204	-0.08953835	0.34256786	-0.518951	0.55147475	0.46661073	0.015650017	-0.48360202	-0.013059358	-0.10139468	0.30600655	-0.99993974	-0.35727942	-0.15445282	0.8776463	-0.76511925	0.51244193	0.52999735	0.7397344	-0.7257137	0.018789291	-0.43209106	0.45029625	-0.43448722	-0.23773119	-0.28771695	-0.98925614	0.7983174	-0.18727872	0.27337995	0.15522152	0.11741107	0.5322194	0.16126369	0.57390636	0.2792247	-0.12710339	0.25786957	0.22842051	0.8166828	-0.09401768	-0.61667466	0.85256046	0.51723665	-0.12998328	-0.2288145	-0.69832325	-0.09704038	0.07123409	-0.19196576	0.4149638	-0.28170148	0.59368366	-0.9709425	-0.074267454	0.07565898	0.22181268	0.098659806	0.25800207	0.109728634	-0.28452885	0.70420396	0.45987192	0.6266592	-0.43941942	-0.27259862	0.38933963	-0.41336805	-0.4262332	-0.20382617	0.9614949	0.37670937	-0.28935328	0.9989795	0.46608242	-0.4896321	-0.10596553	-0.75141525	-0.8360509	-0.67520344	0.21289884	-0.705032	-0.002734935	0.99510944	-0.031696502	-0.46713626	0.05899934	-0.6357479	0.056680325	0.9002061	0.8964776	0.7841776	-0.5439208	0.863867	-0.05979614	0.6887344	-0.2064416	-0.47349522	0.99998873	-0.9853494	-0.37907588	-0.18188329	-0.18721107	0.025603175	-0.26225683	-0.013775384	-0.41041267	-0.871815	-0.95771253	-0.6010136	0.46739385	-0.6660843	0.16081415	-0.302016	0.021898646	-0.7404573	0.24136488	-0.70500493	-0.13517891	0.84820896	-0.9997591	0.6200723	-0.54513603	0.4443579	-0.21764402	-0.20847842	0.2541064	0.63150585	-0.6130605	-0.8337338	0.6850192	-0.80838567	-0.027394345	-0.5484854	-0.3857299	0.66900724	-0.48012266	0.5265826	0.24429135	-0.3108573	-0.090346016	0.0734274	0.64615756	-0.23978978	0.72895813	0.03529634	0.54862505	0.008907782	-0.46631286	0.23448168	-0.028155278	-0.8273188	-0.88326985	0.5965568	-0.290854	0.2541725	0.024138726	0.53657216	-0.6568069	0.9998139	0.66667855	-0.1075719	-0.671835	-0.06383623	0.40421093	0.6128254	-0.6949203	0.33262315	0.43060458	0.81749696	0.6159518	-0.41191033	-0.66851836	-0.4608232	-0.33265504	-0.27200317	-0.3612763	0.9784963	-0.32627198	0.26057774	0.088599175	-0.24497356	-0.6172075	-0.5503603	-0.4367673	-0.23113097	-0.42478377	-0.03672504	-0.42321423	0.3765283	0.5523122	-0.8200647	-0.12669814	0.003693072	-0.44967318	-0.7308249	0.1404887	-0.8329994	0.19253176	-0.53960425	-0.02960384	0.18811393	0.61465377	0.23769398	0.260428	0.7004172	0.35364065	0.5377969	-0.1659701	-0.45528823	-0.10478672	-0.34475312	0.19067428	0.22717015	0.61813104	-0.4978078	-0.32060656	0.6089759	0.9999987	0.5476299	-0.89429235	-0.2898253	0.999579	0.5096173	0.34434518	-0.99994415	0.4906104	-0.78429985	-0.33683446	-0.5423155	-0.3992486	-0.35367495	0.50808334	-0.84015447	0.04449994	0.5238076	0.21081883	-0.25119087	0.1542126	0.21073157	-0.9999357	0.99860686	-0.2247221	-0.09542374	0.21695153	0.529886	0.41767272	0.017794859	-0.51220596	-0.14407498	0.59299743	0.61263114	-0.005753136	0.000683676	-0.7251901	0.18276343	0.5041444	0.27649552	-0.16453966	0.68150795	-0.99967074	-0.5033481	-0.1979927	0.08931235	0.54652196	0.36178893	-0.8215347	0.12463216	0.46189642	0.3154018	0.5512392	-0.1767457	-0.2691073	0.33889022	0.21296942	-0.1819058	0.13139568	0.08482382	0.029701777	0.66426164	0.28840688	-0.17375474	0.20905763	-0.46882823	-0.9460862	0.5381676	0.46102062	0.3373519	-0.16374066	0.07064583	0.052150253	-0.5513638	0.28596157	-0.56319386	-0.56247866	0.9946223	0.24339353	0.3686155	-0.52456754	0.42203587	0.058348294	0.99995095	0.3064289	-0.531857	-0.39381793	-0.054301508	0.22230588	-0.21331297	-0.9991141	-0.061844453	0.72196585	0.42646635	0.76598173	-0.44266888
551	1	CCOC(=O)c1ccc(C2CCC(NCC(O)COc3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1	0.044980824	0.59688604	0.24351604	-0.13708961	0.12416911	0.2044356	-0.054036036	0.5217235	-0.39178655	0.56041276	-0.5040488	-0.16437098	0.030505897	-0.029691465	0.8131966	0.3760965	-0.19330959	-0.4471695	0.6180304	-0.84376913	-0.35610405	0.6261646	0.0666073	-0.30748233	0.06168361	0.06606403	-0.50356656	-0.6646643	0.2083381	-0.59325856	-0.42348102	-0.5007435	0.47408822	0.004680882	-0.6904172	0.055755183	0.032866746	0.49628666	0.999833	0.452788	0.9590323	0.34038943	0.55186355	-0.059300665	-0.005100509	0.98867935	-0.053478263	0.0538266	-0.30933028	-0.054519244	0.7089733	0.0675957	0.07981897	0.2141763	0.7679526	-0.23839697	0.38275382	-0.9759823	0.59762824	-0.48651433	-0.29262525	-0.5765209	-0.19340384	-0.3943312	-0.20409404	-0.044114355	-0.28489646	-0.470499	-0.03917512	0.4918695	-0.97853976	-0.9697145	0.5287914	0.16587453	-0.025957532	0.45179752	-0.3565294	0.040157802	-0.32510135	-0.99704105	-0.814604	0.05932388	-0.89504385	-0.41925627	0.08752119	-0.85439837	-0.13184132	-0.08044402	0.14666092	-0.7407891	-0.32528585	0.7696095	0.16562094	0.04829693	0.9998396	0.025598252	-0.5121328	0.21177188	0.49292842	0.095270455	-0.31243616	-0.31099442	-0.2090285	0.9911576	-0.9999373	-0.39354056	-0.4348456	0.3035107	-1	-0.14971177	0.44878674	0.18891115	-0.08767894	0.13664527	-0.10600183	0.26015928	-0.44343308	0.560815	-0.59698975	0.7549658	-0.56606984	0.46109492	0.000592023	0.05747805	-0.6698537	-0.04256492	-0.26936442	-0.28651392	0.17647643	0.995983	0.49879113	0.66960764	-0.06255527	0.3220549	-0.55362236	-0.85988796	-0.4491296	0.7786861	-0.54663867	0.4230122	-0.9999991	0.3123256	-0.88914305	0.60527325	0.49184346	-0.03428082	-0.04638909	0.11692401	-0.99994504	0.6829114	0.7587478	0.79292136	0.89109504	-0.42757183	0.3367658	0.063647814	-0.24548742	-0.9986902	-0.64302003	0.90656143	0.84920365	0.057241175	0.6050298	-0.23133859	0.22237755	0.07005062	-0.6160065	0.12390206	-0.32729697	-0.5207511	0.14683929	-0.12691952	0.3795999	-0.40428674	0.33088094	-0.5978553	0.5678131	-0.38198492	-0.4886976	-0.64584595	0.32357094	-0.99750173	0.19172895	0.43236983	0.97744304	0.6707907	0.84063476	-0.3341049	-0.0975211	0.36038545	-0.12051268	0.8828997	0.24170442	-0.047424316	0.36383373	-0.16099995	0.015304657	-0.024023406	-0.05626135	0.6474515	-0.59776163	-0.5125038	0.24194102	-0.36188835	0.23036444	0.009728771	0.13881022	-0.6642759	-0.1302616	-0.9999006	0.6398526	-0.06920193	-0.15544224	0.2624714	0.059905887	-0.08919612	0.31226888	0.27388215	0.42723605	0.3464976	0.65285325	0.32249147	0.000928815	-0.47848794	0.999908	0.10939386	-0.5023027	0.80698216	-0.5966726	0.2724299	0.078887545	-0.18240213	0.037356336	0.14643574	-0.03820741	-0.629372	-0.6153079	-0.17277163	-0.018140038	0.62700987	0.90026635	0.5590756	0.10031731	0.40112633	-0.13605566	0.146332	-0.1469701	-0.26641825	-0.16933496	0.22576204	-0.6416055	-0.8298302	-0.19094186	0.749883	-0.28911912	0.6835146	0.22475329	-0.42821336	-0.21649823	0.61172205	-0.3232689	0.5242385	0.78763115	-0.56523687	0.56544435	-0.17852364	0.29082707	0.7193639	-0.8342644	-0.13767317	-0.26037535	0.99979204	0.27686962	-0.18669693	-0.553104	-0.7967841	0.6258608	0.6348009	0.46912348	0.43548927	0.41768798	0.041843776	0.06770958	-0.3134389	-0.48528934	-0.5664713	-0.07436694	-0.7005118	-0.99986726	0.20176072	0.8133296	-0.9788522	-0.116505355	-0.6365046	0.3117355	0.89872396	0.9999976	-0.7937347	0.09892689	0.03964323	-0.35418478	-0.5196413	-0.7298647	0.022036016	0.2035481	-0.74775755	-0.99994093	-0.25891548	0.9474095	0.7987114	0.8310989	0.60125536	-0.19985884	-0.42119205	-0.88033795	0.7065677	0.2742917	0.41925833	0.99999976	0.22798581	-0.095905356	-0.5510245	-0.37864548	-0.6146227	0.17930432	-0.49677986	0.52692413	0.084893465	-0.050506227	-0.12642981	0.47981414	-0.23413895	-0.31062034	-0.3438506	-0.6775687	-0.44034967	-0.43239388	-0.3276199	-0.12176668	-0.265118	-0.038742453	0.21122308	-0.1634323	0.032102164	0.4824873	-0.08970921	-0.023450004	-0.46507084	0.23850149	-0.9955907	0.8497829	0.08139446	-0.5580722	-0.096238725	-0.24434498	-0.14445248	0.085124016	0.99927694	0.5971189	0.6180583	-0.32316276	0.5787397	0.6377077	-0.5736405	-0.53102773	-0.3637157	0.29487884	-0.2771961	0.22442743	-0.70616055	0.4904421	0.88329196	-0.70603883	-0.87595576	0.21582772	-0.9953832	0.77070177	-0.49602845	0.010277689	-0.2869562	0.85833544	-0.5179446	0.7211563	-0.6638477	0.2685739	-0.22590418	0.59527344	-0.5999422	-0.3196449	-0.81960654	-0.66129273	0.6016302	-0.58896345	0.11155976	0.648104	0.04850785	-0.29079282	0.4189482	-0.9528801	0.42009813	0.99817604	0.29750904	-0.39080966	-0.20547447	0.4920691	0.009777159	0.6122145	-0.65312934	-0.026498685	0.60339826	-0.62421674	-0.4858226	0.057287183	-0.5176479	0.7102354	0.25036246	-0.99988085	0.23022214	-0.94271666	0.5717787	0.9990822	0.18090199	0.16796677	-0.24510646	0.60242766	-0.9707825	-0.8296726	0.1659596	-0.6582417	0.4876728	0.23953374	-0.38488835	-0.24297646	0.5830492	0.6263038	-0.2410207	0.52058756	0.15537089	-0.98928744	0.99999976	0.9878982	-0.14169621	0.30392537	-0.7405561	-0.54411656	-0.35315433	0.8496621	-0.12395443	-0.14567691	-0.73532754	-0.57177407	0.03283836	0.52459687	-0.5475893	0.6635688	-0.43749613	-0.24049298	0.9973987	-0.9020973	-0.77430815	-0.5067206	-0.29030573	0.87374085	-0.66265506	0.8442534	0.8716236	0.15738076	-0.041231833	-0.23601238	-0.6343806	-0.8530384	0.9458797	-0.26187956	-0.037282176	0.05501473	0.71723187	0.2148387	-0.66381156	0.10794254	-0.17627597	0.38801393	0.7707229	-0.9173136	0.2604017	-0.42493525	-0.049126107	0.6256566	-0.08512782	0.514853	-0.08460396	-0.52530915	-0.25033814	-0.4242393	0.9998892	0.27475047	-0.08390592	0.42053854	0.077041335	0.83158714	0.99998474	0.23001496	0.49794403	0.19198267	0.10839561	0.11131286	-0.12125863	-0.99949133	0.041748244	-0.33122256	-0.8465603	0.17247133	-0.8794492
552	1	Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2cc(F)ccc21	-0.45003477	-0.030992113	0.23967934	0.50193495	0.36611778	0.41550103	0.2451296	-0.185902	0.29155976	0.42247155	0.36902326	-0.6916227	-0.14598432	-0.13542823	-0.18589751	-0.13648826	-0.4414981	-0.005540535	-0.28997782	0.093362145	0.7879212	-0.4093044	0.3578428	0.70341265	-0.052642338	0.520688	0.9433756	0.21183668	-0.43308988	0.23234352	-0.22049516	-0.4262383	-0.4811039	0.01019726	-0.1751788	-0.004127751	0.12940983	-0.45566633	0.9995018	-0.50255674	-0.2922359	-0.20715472	-0.73378366	0.6481692	-0.074719176	0.24629304	0.5755079	-0.1334285	0.090189874	-0.23657587	-0.02216986	0.32337207	0.18669622	-0.08367388	-0.23650399	0.7975425	-0.54717475	-0.76184475	0.07420684	0.150622	-0.4809653	0.2106006	0.519436	-0.61337435	-0.30648643	0.233903	-0.2808541	-0.40099692	0.3208393	0.20865014	-0.9669621	-0.86908585	-0.15890509	-0.90325224	-0.10616765	0.2623661	-0.72273976	0.35585013	0.48031035	-0.9996974	0.4094352	-0.078180455	-0.8893185	-0.1825209	-0.31385475	-0.90471405	0.13051523	0.11947563	-0.06687352	0.46335375	0.2587708	0.26415992	-0.4375964	-0.5814201	0.99581885	-0.54495555	0.17815514	-0.11159494	0.091457136	0.39205503	0.0909955	0.46461105	-0.29966396	0.9823746	-0.9980523	-0.8976598	-0.33513653	0.3819275	-0.9508742	-0.7803971	-0.69872445	0.3751051	-0.7069709	-0.1760084	-0.2215656	-0.501971	-0.28640953	-0.55311066	0.9286435	0.36350784	-0.6045257	-0.39129588	-0.00376992	0.06928677	-0.2655056	-0.7935877	-0.22959061	-0.014180251	-0.27185425	0.99960333	0.080974855	-0.50521255	-0.24895924	0.25327176	-0.46388978	-0.9919043	0.22882077	-0.34154618	-0.006660817	0.46193895	-0.9999977	0.343772	0.22496942	0.2993354	-0.45549187	-0.43576834	0.28143474	-0.22927317	-0.98240817	0.3375047	-0.27479014	0.2915815	-0.37677145	0.14905912	-0.32476428	0.3633465	0.08723698	-0.7372351	-0.009166051	-0.15089622	-0.3967621	-0.13671151	-0.76334757	-0.3931431	-0.36753288	0.4625146	0.2542669	-0.48453885	-0.23666345	0.008476083	0.35484803	-0.5421367	0.0599819	-0.1199607	-0.06598922	-0.31630057	-0.7082016	0.04199331	-0.713524	-0.5793493	0.766198	-0.8236959	0.41331097	0.2739705	0.35438165	-0.46906143	0.28485802	-0.19500233	-0.61183625	-0.29828683	0.016795194	0.5751132	0.022257073	0.53720796	-0.004246641	-0.33448258	-0.8785897	-0.50185895	0.004139407	0.032246333	0.22357008	-0.76617104	0.24392436	0.12607181	0.619919	0.06905691	0.5246922	0.058980875	-0.13251972	-0.999962	0.097345315	-0.59680504	-0.19538045	-0.40307507	0.16791177	0.20849776	0.16221242	0.26097992	-0.06303863	0.7134353	0.03616064	-0.674374	0.20382325	0.62356013	-0.98415923	-0.64495534	0.28649628	0.024033658	0.18489817	0.6122057	-0.1298608	0.5165982	-0.16610415	-0.08032608	0.10696711	0.1909899	-0.14526299	-0.0841987	-0.1445006	-0.8628219	0.8628724	-0.37809634	0.29809824	-0.51445246	0.45493013	0.1695582	0.88619626	0.35611856	0.26283592	0.82564	0.57760274	0.34092915	0.38223514	-0.25141102	0.61804825	-0.000125043	0.11183599	0.31766212	0.5746065	0.064404584	-0.56094235	0.5288381	0.2737625	-0.3195388	-0.14498146	-0.1577463	0.83735853	0.10128031	0.9623316	-0.093457885	0.6414152	0.9976891	-0.3454523	0.3226725	0.689873	-0.21017617	0.34187406	0.250752	0.003028063	-0.02316587	0.6327646	0.9932182	-0.57886994	0.47078642	0.20237546	0.16671081	0.23394272	0.518913	-0.84345454	0.045618933	0.1037309	0.56746536	-0.082152076	-0.61545664	-0.18384871	0.3079021	0.99999976	-0.97603244	-0.21537903	0.5249097	-0.044445563	-0.43121257	-0.48114347	-0.65317076	0.88835275	0.47199196	-0.99504685	0.3878439	0.6869823	-0.002194138	0.03835613	-0.64645565	0.8317314	0.065164044	0.40254977	0.0643052	0.13071363	-0.39549318	-0.9709169	-0.11193841	0.57577586	0.5189169	-0.30777	-0.54403925	-0.18809646	0.42885605	0.42926028	-0.73887324	-0.7040274	0.16304295	-0.62087965	0.468871	-0.22451556	-0.37871143	-0.27488515	0.5099959	0.09999703	0.4053898	-0.3131095	0.05759498	0.034205515	-0.563415	0.55341816	0.33504567	0.56746423	-0.3592494	0.09046019	0.6384388	-0.18175668	-0.9495594	-0.8438315	0.2560364	0.40743488	-0.4963339	-0.39881632	0.51056343	0.42042416	0.9995612	0.44503787	-0.80549383	-0.40946278	0.34084013	-0.3767721	-0.021370152	-0.6691083	-0.24033354	-0.2818632	-0.07720339	0.6482688	-0.71262616	-0.34317848	0.41030625	0.41915408	-0.72911525	0.053646535	-0.99999994	0.61180776	-0.54252017	0.6927044	-0.4056263	0.36903787	-0.45481434	-0.28651342	-0.5064971	-0.05206844	0.10359124	0.56120425	-0.20907797	0.24147162	0.47771525	0.58425397	0.20160562	-0.29196438	0.43917298	0.22202559	-0.07495359	-0.002479071	-0.26710021	-0.28573585	0.118333705	0.92642677	0.5992073	0.283372	-0.26049238	-0.023123737	-0.005320894	-0.5576486	-0.23401514	-0.2248398	-0.34473076	0.6666223	-0.7482771	0.29679874	-0.35999405	-0.19196722	0.22606343	0.99994564	0.6167791	-0.9481859	0.016212821	0.9987778	-0.18713132	0.6774926	-0.9995068	0.18304083	-0.7552062	0.3703758	-0.17693445	-0.23368771	-0.061922226	-0.1776172	-0.08884783	-0.8113544	0.42799848	0.29818407	0.5151914	-0.42990294	-0.24906833	-0.9999615	1	0.56370133	0.14858262	0.35201707	-0.5188232	0.122033045	-0.146772	-0.5736023	0.5087551	-0.4731511	0.26095948	-0.46876088	-0.44154334	0.054787364	-0.24386814	-0.25195575	0.3757893	0.31007653	0.86998904	-0.99951655	0.4218784	0.2972986	0.064932875	-0.4323473	-0.18286219	-0.65874714	0.3155156	0.6817778	-0.8357707	-0.19782114	0.29871175	-0.11364032	0.9856793	-0.18124664	0.85399926	0.07371703	-0.10271457	-0.3101833	0.0307129	0.6795744	0.35006368	0.5385447	-0.25749695	-0.17742461	0.4749869	-0.071684435	0.2554054	0.32734025	0.35877743	-0.5857362	0.6148729	0.0978871	-0.47008502	0.22330314	0.9988448	-0.03360216	-0.84543335	-0.38270295	-0.017764574	-0.2493591	0.9998677	0.49655908	0.39707413	0.6127456	0.044816233	0.28623655	0.37766	-0.997602	-0.024140015	0.033671007	0.08626019	-0.30558044	0.8373873
553	0	NC(=O)N(O)C1COc2cc(OCc3ccccc3)ccc21	-0.7900223	0.6122609	0.2361166	-0.28959924	0.21670443	-0.70344096	-0.089199275	-0.015169601	-0.24419476	0.011457977	0.27006626	0.0762394	-0.20386846	-0.77603585	0.74554306	0.69730514	-0.04818947	-0.14102174	0.003291932	0.5687927	0.7615895	-0.3482723	-0.5730243	-0.07977268	0.49941593	0.162704	0.23103902	0.29355577	0.35800657	0.85604423	0.3502281	0.09694065	0.49310327	-0.3932608	0.052276492	-0.41459468	0.09961135	0.75464666	0.9970066	-0.5670993	-0.3356486	0.021038555	0.4404594	0.5653265	-0.03331196	-0.68471134	0.074573755	0.14702098	-0.09501819	-0.2974033	0.5880541	-0.45750615	-0.21548206	0.66646296	-0.058359854	-0.2065937	-0.29828683	0.28836986	-0.10623721	-0.42830452	0.04115638	0.19708987	-0.12326489	0.52442807	-0.08327838	-0.41347492	0.3588044	0.27340353	0.1299048	-0.24725936	-0.8793227	-0.98732877	-0.18909284	0.057612397	-0.18658368	0.6590596	0.2879435	-0.6829101	-0.05467252	-0.99824476	-0.47874334	-0.6503718	-0.8680646	-0.61496437	-0.004753283	-0.48700276	-0.09143054	-0.4119202	-0.014166829	0.35279438	0.25498673	0.43515623	-0.76109934	0.22953807	0.99857545	-0.4130052	-0.67450523	0.27552086	0.42076907	-0.6962176	-0.5618236	-0.35802716	-0.39126778	0.94262576	-0.96569383	-0.42957115	0.42126417	-0.52496463	-0.99953264	0.27675235	-0.29225886	0.105036855	0.34367117	-0.5021305	-0.3646044	-0.22236344	0.24082024	0.672277	0.99423456	-0.087846376	-0.031094711	0.55179745	0.28165644	-0.2198979	-0.39363286	0.43100995	0.17020468	-0.7492768	-0.058835156	0.99398804	0.3792653	-0.063922636	-0.6593137	-0.41591072	-0.2578975	-0.25226396	0.5184733	0.20323275	0.43498287	-0.76732624	-0.9999939	0.55660504	0.70617133	-0.46331745	0.7866063	0.0959068	-0.54706943	-0.18693006	-0.72418284	-0.8015732	0.08697561	-0.23044747	0.58440906	0.29910737	-0.5810816	-0.46796048	0.06988636	0.6882908	0.18201002	0.21117185	-0.9145756	-0.23462278	0.04359115	-0.45205465	0.016333831	0.4035092	-0.6649454	-0.20163667	-0.53652143	0.48734754	0.09577467	-0.025471978	-0.15022951	0.38452175	0.47552082	-0.9423985	-0.24244264	0.41733837	-0.15732999	-0.3831233	0.67931443	-0.949454	0.22964072	-0.5609568	0.3804588	0.58152	0.6268711	0.03079981	0.072996244	-0.078623205	0.02986079	-0.019052928	-0.17047414	0.23856117	-0.17018728	-0.5833921	0.65432435	0.16361035	0.68308395	0.37076315	-0.10787441	0.33864325	-0.44342262	-0.5825229	0.7523714	-0.28246328	0.29584405	-0.35221344	0.7684301	-0.99988955	0.44514328	-0.34854662	-0.3249646	-0.6908342	0.06644681	0.22290026	0.3494113	-0.009683372	0.034662854	-0.69356704	0.20762299	0.5296063	-0.28658795	0.28928614	0.9999834	-0.73986745	0.328668	0.5827757	0.6965726	0.55372083	-0.53153634	-0.2918858	-0.118955284	-0.4886815	-0.33752677	-0.26683962	-0.21835008	0.5639405	0.34452018	0.22980048	0.90602237	0.51653403	0.055058748	-0.23948058	0.6363709	0.05109272	0.26572397	0.002221059	-0.1467813	-0.5760192	0.4149032	-0.78609174	0.41938138	0.66228646	0.18806858	0.2871972	-0.5959182	0.06827624	-0.2645319	0.5025395	-0.36188772	-0.7334886	-0.27206096	-0.3332797	0.30482978	0.048549898	0.49018237	0.6172745	-0.555742	-0.57142913	0.44368225	0.99646074	0.83337367	0.2321331	0.27808237	0.7536907	0.46468124	-0.11649079	-0.7074106	0.08380835	0.03837359	0.9983583	-0.016849555	-0.23094513	-0.56757003	-0.4888769	0.100453354	-0.53723854	-0.9249112	0.19680966	0.26449153	0.9765343	0.21218535	0.06300491	-0.7565646	0.35315105	0.99999803	-0.8480725	0.1722894	0.2958381	0.03224747	0.015575838	-0.05587229	-0.77812696	0.16004482	-0.4304903	-0.7771234	-0.3390925	0.6985652	0.2418992	-0.110158585	0.19598532	-0.058623783	-0.69060993	0.17518024	0.13807927	0.08908205	-0.58532935	0.91343606	0.06167385	0.08923631	0.39156052	0.47080344	-0.7821455	0.14626476	0.022630224	-0.094383165	-0.60158074	-0.11964913	-0.037683096	-0.31489447	-0.030799141	-0.050880592	0.5832464	0.436252	-0.59663063	-0.15709595	-0.6804332	0.17783646	0.06384883	0.34292555	0.39209288	-0.016528489	0.6132578	0.14317158	0.1634227	-0.06717701	-0.57594705	0.5763538	-0.66314787	-0.9583691	0.3519446	0.8589925	0.3227663	0.171003	0.07193093	-0.2016316	0.99985147	-0.039854128	0.2855733	-0.54660857	0.5677341	0.3509564	0.3511036	-0.6611204	-0.04221539	0.068052724	-0.27813008	-0.6566056	0.6436502	0.523469	0.22198507	-0.14389129	0.026058033	0.42558748	-0.978833	-0.3413606	-0.47969413	0.06817489	-0.6324031	0.11798521	-0.21344729	0.2335228	-0.27786383	0.48368937	0.29179204	-0.3256532	0.6660906	0.5704318	-0.62005925	0.5127554	0.5659638	0.52805775	-0.020083241	0.6980342	0.26103485	0.115418516	0.29581597	-0.15953839	0.029404534	0.80022645	0.6817877	0.055858217	-0.29377073	-0.24666631	-0.113061875	-0.4343108	-0.47095138	0.2448153	0.119849496	-0.60743445	-0.3392077	-0.10756076	-0.15685815	0.030729135	0.1804747	0.9456054	0.038775112	-0.9757671	0.14334118	0.99987566	-0.89964026	-0.24893855	-0.97627735	0.1971082	-0.8195004	-0.2280961	0.052124597	-0.43177843	-0.4422851	0.08079493	0.28197658	-0.4038647	-0.190911	0.2907118	0.6888663	0.13841695	0.43076304	-0.9999794	0.9999996	-0.58285075	-0.48305112	0.11635137	-0.3241451	-0.830384	-0.07979029	0.19779897	-0.38367376	-0.21415171	-0.062881045	-0.48327374	-0.29448953	0.12669998	-0.2330158	0.36903253	0.63561344	0.06684716	0.018291727	-0.9998992	-0.08705719	-0.51638293	0.058294147	-0.4340129	-0.49315542	-0.45177218	0.37965485	-0.056335397	-0.19904931	-0.48408544	-0.41933787	0.5465959	0.9673198	0.20561342	0.8162289	0.51554924	-0.16996694	-0.46901116	-0.7670244	-0.36581585	-0.19692293	-0.4366922	0.09249817	-0.92194986	-0.003542582	0.31291854	-0.26010677	0.09473239	-0.25944787	0.8441666	0.035488095	-0.55701995	-0.20356163	-0.19406863	0.98797363	-0.27555802	0.003363116	-0.3954213	-0.24789704	0.46533376	0.9999458	0.1639411	-0.68827224	0.30665955	-0.07865213	-0.13950816	0.18710218	-0.9891766	0.2150704	-0.19958293	-0.13055602	0.15440433	-0.06802873
554	1	CCN1CCC2(CC1)COc1cc3c(cc12)N(C(=O)c1ccc(-c2ccc(-c4nnc(C)o4)cc2C)cc1)CC3	-0.8322176	0.16161035	0.22752441	-0.5865568	0.52004635	0.020503625	0.2595725	-0.42425287	-0.03572365	0.18632427	-0.50998414	0.12202312	0.1910786	-0.4702206	-0.149623	-0.00770972	0.54503244	0.014309585	0.090945415	0.061511032	-0.18901592	0.74404037	-0.22817826	-0.34432635	0.2049314	-0.041971497	0.36515942	-0.28137287	-0.3694195	-0.4172409	-0.024967844	-0.68785065	-0.30226123	-0.34741545	-0.14275663	-0.11196498	-0.35795274	0.66759986	0.9995955	-0.5736274	0.31770915	-0.32090577	-0.47004965	0.5682448	0.9000863	0.99835074	0.66576236	0.12770268	0.22622341	-0.1550008	0.6188849	-0.4580557	-0.58531153	0.40966666	0.78644925	-0.09640349	-0.60430515	-0.99179083	0.3299986	-0.60320026	-0.4881676	-0.676318	0.15356676	-0.6278969	-0.045799695	0.8636496	-0.038937148	0.6188899	-0.29700035	0.44602698	-0.9716429	0.4717838	0.44795647	-0.59541166	0.835633	-0.18030271	-0.6677441	0.41590273	0.10384669	-0.9990115	0.62743586	0.0970965	-0.98385227	0.08111008	0.78312147	-0.9863745	-0.14024918	-0.42727333	0.036558326	-0.44159988	-0.27508634	-0.5031266	-0.21437751	0.78491557	0.9975181	-0.13963532	0.8650264	-0.43828902	0.23183437	0.35281858	-0.49124336	0.009539646	0.33667198	0.97689855	-0.99995214	-0.39569724	0.38966087	-0.32746416	0.9653923	-0.3288807	0.08921729	-0.66196406	0.71957576	-0.49680912	0.21318637	0.5529333	-0.12928854	0.6766973	-0.9860705	0.5768282	0.64659923	0.28420368	0.07377607	0.3979929	-0.041113663	-0.36923048	0.49911836	0.5213619	0.5653846	0.9998753	0.14717528	0.2840477	-0.7434547	-0.095635824	-0.50869924	-0.9905112	0.3885031	0.019563891	0.83399427	-0.93215895	-1	-0.2652578	-0.7479465	0.61412424	0.2535058	-0.5314595	-0.06891278	-0.18655342	-0.99998957	-0.20221572	0.5454593	-0.3865268	0.06840801	-0.11347447	0.02536757	0.29040426	-0.66242296	-0.99992347	-0.2963226	-0.93137836	0.9888262	-0.43635452	0.35940117	0.73640525	0.8055587	-0.3152687	-0.37337905	0.29669592	-0.8449015	0.26096743	-0.19207022	-0.5902136	0.6284997	-0.7629554	0.10024888	-0.43894777	0.23444025	-0.8430751	0.002914725	0.062879235	-0.35082436	-0.33572942	-0.2519623	-0.22840917	0.9701088	0.5446324	-0.7036761	0.3700604	-0.19922882	0.5856569	0.22790177	-0.004926365	0.047829844	-0.64803404	-0.03162136	0.12343688	-0.5345241	-0.91999733	-0.07676824	0.43055913	-0.036802333	-0.6619975	0.13228562	0.6053017	0.6108037	-0.23162626	-0.5911332	-0.86538327	-0.42823857	-0.9996975	0.5204196	0.3315806	-0.054149166	-0.52390337	0.5890125	-0.5748074	0.014704932	0.008917334	0.12016662	0.47166333	-0.1827431	-0.29216713	-0.19138148	0.4026565	-0.96348995	0.34800044	-0.5043439	0.4196741	0.8223019	-0.15538912	0.25645563	-0.010825931	-0.8069341	0.1625441	-0.61358	-0.45323527	-0.40390223	-0.21546295	0.45195702	0.61403465	0.79171354	0.31407708	-0.0571612	-0.23252176	0.46079051	0.04422961	-0.40663153	0.23795144	-0.037538014	0.39143023	0.49565336	0.94205946	-0.06634781	0.31737328	-0.60391	0.3489234	0.7493084	-0.8435166	-0.32535136	-0.5159971	-0.16957091	-0.76686263	-0.6587046	-0.01866507	-0.2775339	-0.45528853	0.58879346	-0.13939703	0.9512071	-0.03430932	0.58966666	0.99981433	-0.73104286	-0.14793137	0.1198059	-0.70892614	-0.5139767	-0.60422623	-0.7409368	-0.4388273	0.13794863	-0.83696586	-0.37441048	-0.08199758	-0.36944765	0.26724827	-0.56194407	0.9830237	0.8517898	0.8139804	-0.028929166	-0.99926114	-0.25469434	-0.32494923	0.18167578	0.74393195	1	-0.98508126	0.5234792	-0.07013461	-0.2901268	-0.37920773	-0.030403893	-0.11116738	0.061273623	-0.11195455	-0.999966	-0.1965786	0.8980453	0.079821795	-0.529394	0.64204854	-0.63495517	-0.57019424	0.83476514	0.8788661	0.8031254	0.7524883	-0.99992067	-0.18705961	-0.08983826	0.46375525	-0.08967821	-0.37563968	-0.055376343	0.25048035	-0.21002637	-0.7119815	-0.20803094	0.085423686	-0.036905486	-0.16283973	0.16805503	-0.30129364	0.47226	0.9279851	-0.019114137	-0.6528554	0.5642124	-0.38957158	0.059425395	-0.5682826	0.05639196	-0.7337212	-0.38206127	0.5865333	-0.72643745	-0.6335797	0.56320703	-0.99905026	0.9698866	-0.07802354	0.04831188	0.14263678	0.53737634	-0.107396826	0.3237628	0.99973935	-0.8218931	-0.9552038	0.04344826	-0.2803692	0.2675133	0.34821337	-0.9305901	0.41173753	-0.55844796	0.15378368	0.49544105	0.20498572	0.05196721	0.36204708	0.044562235	-0.9382371	0.09400801	-1	0.4137269	0.20761164	-0.17572863	-0.71503514	0.84525865	0.308383	0.11237208	0.68876994	-0.42312178	-0.5519236	-0.22682084	-0.092422076	0.7544978	-0.9476333	-0.6671718	-0.22018671	-0.078190416	0.30730978	0.31649396	0.94084835	0.42154405	-0.21931994	-0.25561044	-0.86954683	0.9928637	0.5107004	-0.35670754	0.18956238	0.78839546	-0.85328186	-0.7996933	0.28568986	-0.16091482	0.4269442	-0.42652068	-0.579635	0.27223024	-0.40768006	-0.46986815	0.55072105	0.9999986	0.5151355	-0.95011646	-0.14053898	0.99919564	-0.27721635	-0.91915554	-0.9999424	0.44261998	-0.9826538	0.5770065	-0.27864414	0.55715626	0.046026893	0.21330316	-0.84414995	-0.1136749	0.19548854	0.41730434	-0.4779449	0.31991696	0.48422834	-0.91282094	1	0.9978388	-0.30358264	-0.010018301	-0.8509563	0.14403774	-0.15819603	0.10612042	-0.189144	-0.53920275	0.1943592	-0.6477992	0.1224966	0.26619795	0.2977126	0.60135907	0.63598585	-0.22607765	0.99936444	-0.09370355	0.5826543	-0.55599767	0.22445089	0.097777404	0.13896088	-0.37063974	0.04044663	0.03815052	0.30118126	0.048424475	0.06420293	-0.30570504	0.985534	0.40945032	0.78055215	0.50725454	0.785117	-0.32092264	0.17161387	0.32167593	0.8361089	0.04812285	-0.4677519	-0.9725257	0.3372041	-0.38975108	0.24236362	0.03897099	-0.39174432	0.32068214	-0.36092827	0.2238752	-0.30939043	-0.30255952	0.99966073	0.344628	0.07463822	-0.7107577	0.3848837	0.07800989	0.99965626	-0.123109944	0.11196467	-0.38984045	0.25527918	0.34047186	0.32613835	-0.9986571	0.17038196	-0.007834184	0.24206069	-0.26746932	-0.093612805
555	1	Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2	-0.84315825	-0.14135821	0.15600869	-0.4653262	0.005658432	0.30184415	-0.7366465	0.32404688	0.47909358	-0.2899873	-0.58222026	-0.32473603	0.4753611	0.54961896	-0.22594775	-0.79145217	-0.6369771	0.01268034	0.51849765	-0.07793958	0.3923932	0.5749713	-0.27317756	-0.26472634	0.33447465	0.11072391	0.7425671	-0.50266194	-0.38477945	-0.3359679	-0.67967975	0.2490331	-0.24771595	0.09372815	-0.16620685	0.57466316	0.08693833	0.6320407	0.9995286	-0.35473394	-0.30244264	-0.51488787	-0.86886185	0.7663909	0.7776886	0.83296883	0.42599684	0.21684484	-0.53672004	-0.3894859	0.71508735	0.35142365	-0.31097516	0.36592174	0.31471482	0.45163557	-0.6564336	-0.904001	0.59171534	-0.4606802	-0.5323408	-0.62300044	0.022978848	0.24584511	0.08504024	0.64575136	0.18794551	0.23567039	-0.8027321	0.19470634	-0.98229337	-0.41844067	-0.49781218	-0.69113797	0.14080128	-0.19736573	0.17940445	-0.28684255	0.21009359	-0.99909127	0.3018488	0.26547506	-0.9521998	0.31593737	0.01724672	-0.98515314	-0.23475252	0.2992697	0.18723345	-0.29255113	-0.09929356	-0.33066043	0.2573143	0.24828637	0.998874	-0.025519162	0.81151086	-0.5165204	0.08919264	0.002276175	0.004488391	-0.8133908	0.012650971	0.9905446	-0.9996488	-0.6252983	-0.07483303	-0.6114072	-0.9509259	-0.38049603	-0.77970773	-0.28592625	-0.30048224	0.2665617	0.71515375	0.7128968	-0.118811585	0.8291029	0.6012988	0.24917512	0.5207181	0.012726611	-0.17692614	0.215503	-0.81487626	-0.7129722	-0.19375601	-0.690966	0.0751806	0.9997351	-0.37091604	0.14060071	-0.27463272	-0.35320863	-0.46792397	-0.99814045	0.39473826	0.64171886	-0.18342002	-0.72794574	-1	-0.46123528	0.23912506	-0.3154948	-0.045743488	0.41883117	0.005977981	-0.37443042	-0.9978975	0.11403133	-0.05507015	0.8880435	0.31335348	0.14147751	0.19271629	0.2591479	-0.26303834	-0.96086663	-0.69968414	0.4249055	0.40691927	-0.7253264	-0.5033189	0.81989443	0.07123606	-0.5013554	-0.72083205	-0.70063436	0.46492028	0.05870237	0.27235064	-0.09219046	0.2273065	-0.45311806	-0.32581046	-0.8775843	-0.26378497	-0.783121	0.111194335	0.23521364	-0.6154204	-0.39278802	-0.4161092	-0.0430714	0.49807438	0.704234	0.370528	0.41950542	0.42874327	-0.22387083	0.14458452	0.5855924	-0.3111689	0.42000574	-0.16663666	-0.2025362	0.118041806	-0.84822595	0.32853752	0.03888756	0.6890916	-0.2995183	-0.23663339	-0.42572773	-0.106441654	0.24376734	-0.11938831	-0.65994996	0.6169235	-0.999964	-0.04956803	-0.19327503	-0.2845863	-0.008086205	-0.21646827	-0.09506375	-0.016826903	-0.22462964	-0.6742033	0.093449906	0.37300268	-0.39143926	-0.3870983	0.43173668	-0.964977	-0.47403696	0.032364048	0.76346385	0.042945284	0.489962	-0.0556572	0.4059749	-0.20120007	-0.33418906	-0.56363016	-0.20313911	-0.3421416	-0.6186642	0.46651933	0.3366781	0.85958886	-0.18080221	0.18817233	-0.71550715	0.5455615	-0.36181298	0.84036297	0.35937333	-0.25377902	0.12307925	0.7781183	0.067622386	-0.2074227	0.6477338	-0.21453947	0.5336819	-0.1398954	0.2287396	0.66362303	0.3271843	-0.11889386	0.14006487	-0.06621617	0.19522782	0.6639709	0.29729417	-0.3941695	0.19627653	0.8017991	0.13326906	0.34814063	0.99891293	-0.032382663	-0.73684883	-0.1616089	-0.004930158	0.14579348	-0.5146308	-0.53900105	-0.42612073	-0.3606066	0.95675284	-0.5541796	0.78596836	-0.19482276	-0.13163383	-0.16684003	0.8103558	-0.46557087	0.56775355	-0.80028534	-0.50880814	0.8225133	-0.46896428	0.5200816	0.13752298	0.9999998	-0.99499315	0.59866965	0.703695	-0.48835984	-0.5594576	-0.5683243	-0.048958104	0.42117333	-0.10731426	-0.9991692	0.77724445	0.9338889	-0.10088992	0.20357828	-0.4596659	-0.77522737	0.0757587	0.8139166	0.23808719	0.16083495	0.48891926	-0.9503036	-0.28863806	-0.06701453	0.25552306	-0.40639755	-0.51926726	-0.47194552	0.81274575	0.12474878	-0.92534095	-0.5471195	-0.057018198	-0.21900965	-0.06727643	-0.7067947	0.001676491	-0.17951949	0.850563	0.8226101	-0.3206602	-0.40812638	-0.15823488	-0.039290316	0.20597647	0.50581264	0.19907561	0.45926583	-0.1526006	-0.31385008	-0.68988466	0.1892635	-0.9869256	-0.4877926	0.32594508	-0.31322905	0.03229778	-0.3320639	0.7381809	0.37965018	0.99983084	-0.22006074	-0.83619195	-0.12503569	-0.27375343	0.06807291	-0.8167826	-0.8149786	0.37229937	0.28277144	-0.2708544	0.40230384	-0.344746	0.48055336	-0.23795335	-0.1403998	-0.56537616	0.10884266	-0.9999998	-0.7569277	-0.42251915	0.060940217	-0.29181886	0.60242516	-0.66765773	-0.5853941	0.23014958	-0.6352791	-0.26968932	0.25663733	0.85709184	0.10748883	-0.51144046	-0.37389475	0.37070316	-0.003670409	0.17905697	0.5702245	0.7459934	-0.49511233	-0.14534234	-0.6023163	-0.55758333	0.934319	0.3796527	0.25370625	-0.20281336	0.7450401	-0.60817724	0.24830973	-0.5479464	0.5152713	-0.31732005	0.48921007	-0.14547527	0.52634573	0.097839735	0.40688166	-0.1555617	0.9998382	0.81324583	-0.96288735	0.021184532	0.99963367	-0.48945785	0.08051224	-0.99887556	-0.4051797	-0.9290296	0.3273991	0.04293979	0.2048193	0.27185825	-0.23435758	-0.7841356	0.11098258	0.41518956	-0.66159165	-0.32519284	0.35424107	-0.24311653	-0.99988663	1	0.920574	0.71771526	-0.3600438	-0.71139026	0.31912684	0.027705936	-0.6755476	-0.41705868	-0.13050875	-0.47692987	-0.8051624	0.7745401	-0.81147563	0.08388043	0.63279146	0.53741693	-0.18391886	0.9815824	-0.9978178	0.3610129	-0.26644462	-0.5087821	0.4196331	-0.82941085	-0.8720639	0.48092777	0.1972343	0.51474893	-0.15928118	-0.16939132	-0.5298728	0.9895726	-0.03626451	0.9394801	-0.019749047	0.20113991	-0.48124334	-0.0840172	-0.2362787	-0.30122167	0.3194879	-0.5204027	-0.60925937	0.39467418	-0.14763744	0.863564	0.084965274	0.20618086	0.34515148	0.5368627	0.44588903	-0.18344514	-0.491592	0.9995074	-0.23130769	0.2499537	0.10080963	0.11204926	0.21519785	0.99956584	0.49183112	-0.2885406	0.14297	-0.60986894	-0.019087877	0.7258289	-0.99918795	0.06033828	-0.47503796	0.43285784	0.048002873	0.021532452
556	0	OCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1	-0.47510213	0.15744554	0.18850182	0.0565395	0.69013345	0.08716435	0.11609112	0.008373245	-0.22364402	-0.85861504	0.08535619	-0.4104935	-0.20485304	-0.7212083	0.41670188	0.36661074	0.5508968	0.4092851	-0.13636398	0.56343293	0.11510563	0.5177592	0.017391091	0.14772636	-0.13913672	0.4503322	0.29365727	0.17641477	0.1681295	-0.4873671	0.6146346	-0.2584559	-0.2838255	0.16661792	0.14088017	0.2244524	0.25497997	-0.06339738	0.9995184	-0.75422716	0.9060915	-0.0798061	0.079166606	-0.077030316	-0.06960583	0.7611546	-0.36964718	0.32229236	-0.32292023	0.44185713	0.82123744	-0.50700575	-0.027781466	0.26954934	-0.15452027	0.43595958	-0.38907698	-0.89957106	-0.6767463	0.28747532	-0.2032215	0.5813475	0.05168786	0.010474595	-0.2748285	-0.101512544	-0.6479619	-0.04069075	-0.5547925	-0.7674573	-0.8972325	-0.9112601	-0.01838273	-0.8805314	0.09634741	-0.27374285	0.329624	-0.14577083	-0.39532903	-0.9986501	0.051389497	-0.5765114	-0.8714438	-0.12639461	-0.66222227	-0.85321695	-0.10024348	0.060175233	-0.7644276	0.5224636	0.47986427	0.25410998	-0.4646153	0.4573749	0.997611	0.0610386	0.43531644	-0.69637835	-0.23168781	-0.6910874	-0.2432677	-0.38402912	-0.612918	0.96180886	-0.99958676	-0.95060295	0.42718655	0.43325415	-0.99661046	0.24132809	0.02341033	-0.054845624	-0.07524415	0.5695245	-0.006089861	0.75155777	-0.16950928	0.07689356	0.8484785	-0.26027238	-0.08955499	0.2348172	0.566316	0.775266	0.04179291	-0.24982451	0.026796868	-0.73051226	0.31667668	0.998063	0.33454984	0.425472	0.37134856	0.58217824	-0.65678406	-0.16479519	-0.24505973	0.4484916	-0.3465216	-0.3390518	-0.99999964	-0.2205438	0.24713267	-0.39463705	0.42850363	0.35804752	0.14706565	-0.714556	-0.99736214	-0.18739508	0.30055293	-0.65662235	-0.30916357	-0.051914074	0.3272422	0.06921879	0.19577558	-0.9537609	-0.51222044	-0.36380237	0.09146667	0.39701745	-0.7502675	0.17311215	0.7728372	0.7276774	-0.36579993	-0.13180418	-0.50042766	-0.15199117	0.2637955	-0.4005332	-0.05823657	0.695804	0.40877354	0.50154287	-0.70710903	-0.018543312	-0.7934901	-0.27587256	0.2655262	-0.8360769	-0.8052352	-0.016240576	0.8803569	-0.19384941	-0.45051432	0.44757414	-0.5679404	0.2225466	0.728156	-0.16397044	0.5036411	0.38565245	-0.1774258	0.040258974	-0.3737748	-0.09574913	0.66496044	0.003366719	0.20606421	0.3937425	0.5480012	-0.32006213	-0.011026572	-0.27914402	0.14040689	-0.15193783	-0.062245123	-0.99984336	-0.024816312	0.6745309	-0.25594002	0.009178916	-0.07207992	0.3247498	-0.62576807	0.5376805	-0.42476463	-0.2535584	0.17566429	0.27030903	0.65033627	-0.5130072	0.9998044	0.4819466	-0.34714788	-0.22307982	0.485318	0.2649815	-0.5207644	-0.3745576	-0.27135947	0.40328342	0.44341406	0.14577699	-0.07224391	-0.5270105	-0.7437504	0.48548663	0.8948761	0.4004983	-0.3547866	-0.22080906	0.6960847	0.21050385	0.072280355	0.19532688	0.45033154	0.34692168	0.091094285	0.109302	0.25734583	-0.4787928	0.32079247	-0.010290842	-0.3732366	0.50787324	0.15727809	-0.11275617	0.47606334	-0.83794636	0.2304834	-0.12440595	-0.10723945	0.6647838	-0.69971895	-0.20721649	-0.013206774	-0.099917784	0.17863788	0.9995705	-0.65100056	0.43608725	-0.30896813	0.8830246	0.31425518	0.20882294	-0.11960902	0.35061756	0.49155477	0.9625579	-0.020144569	0.44219506	0.08590504	0.23342334	0.07061028	-0.15460162	-0.9263685	-0.4147618	-0.02808833	-0.22051723	-0.095283024	0.42396227	-0.35648337	-0.11368849	1	-0.95779765	0.2588584	-0.36836463	-0.32802743	-0.10262113	-0.7256173	0.5046664	0.85392165	0.77612424	-0.9987595	0.4859947	0.58855814	0.76363736	0.6654442	-0.53844994	0.53927433	-0.17821278	0.5016936	0.07121652	-0.1519334	-0.8423299	0.875739	0.2768506	-0.44239575	-0.40247002	-0.5359942	-0.81063527	-0.29437953	0.12514739	0.30244088	0.3898771	-0.488471	0.5889992	-0.29769328	-0.28368652	-0.017269002	0.26856956	0.3129496	0.039893944	-0.31289265	0.124584444	0.030573346	0.47860876	-0.35044062	0.84258735	0.72135556	0.13089867	-0.37981895	-0.25508127	-0.5882438	0.5830847	-0.32133335	-0.9717775	-0.2900472	-0.25272638	0.03965479	0.15983072	0.49663523	-0.076073885	0.61859167	0.9996528	0.4370238	0.556551	0.12627538	0.10437264	0.2639786	0.5749283	-0.5915144	-0.3734224	0.33016178	-0.45339793	0.80254686	-0.7051842	0.4021352	0.42269954	0.65562683	-0.9209583	0.03375798	-0.9999999	0.19501999	-0.21664843	-0.4369026	0.4980184	0.4985632	0.28423506	-0.4920371	0.27927884	-0.16166814	-0.06355223	-0.35837775	-0.35829017	-0.2354517	0.597012	0.44312495	0.34635374	-0.697816	-0.12550128	0.33315837	0.033185553	-0.42241988	-0.29012305	0.25486994	-0.24290654	0.9620277	0.3072317	0.54848605	0.46881065	-0.48459494	-0.16849248	-0.17456755	-0.6965394	-0.5799118	-0.6544216	0.015232978	0.3418897	-0.53434914	-0.013162667	-0.03939641	-0.4322068	0.93605417	-0.4083416	-0.938272	0.32391083	0.9885154	-0.62166464	0.35057518	-0.99198496	-0.44506875	-0.6691201	0.09625481	0.48443472	-0.47752947	-0.16613622	-0.40376797	-0.46599722	-0.07537425	-0.1695626	-0.57089245	-0.69615746	-0.11644144	-0.35245594	-0.9998756	1	0.7252461	-0.31671616	0.5745189	0.11355977	0.4824838	-0.5858307	-0.22082038	0.14725533	-0.1168298	0.2684503	-0.5682967	-0.37461153	-0.13079417	0.16579162	0.08011974	-0.01396779	-0.7701339	0.97212034	-0.9984636	0.1551658	0.37267637	-0.27090478	-0.057071373	-0.70877606	-0.04575582	0.45553476	-0.28545246	-0.34731933	-0.6565515	-0.53875494	0.4634223	0.9907257	0.2381164	0.6059519	-0.013611415	0.7218831	-0.034935836	-0.10613096	0.20601907	-0.037549905	0.03229117	0.21815515	-0.9326635	0.2808235	-0.46799988	0.48037565	0.17316248	-0.81463885	0.3272251	0.6813007	-0.58843523	-0.57064664	0.20391273	0.99957645	-0.49971315	0.013060231	-0.07442632	0.63059837	0.052053504	0.99974614	0.10366819	0.30702814	-0.14971022	-0.3783154	-0.4642039	0.21743855	-0.9987304	-0.45934555	-0.32602653	-0.716293	-0.5197797	0.4374416
557	1	CN(C)C(=O)NC1(c2ccccc2)CCN(CCC2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1	-0.9066976	0.51642233	-0.49125305	-0.061416764	0.42541566	-0.6734587	-0.8424323	0.38127556	-0.64600646	0.40321043	-0.71520334	-0.34503943	-0.18921104	-0.889264	-0.16933657	0.10845127	0.20477693	0.19560528	-0.6799041	0.247979	-0.20048721	0.36103424	-0.10242206	-0.45047677	-0.09791987	0.16429211	0.36496648	0.84638536	0.424098	-0.6897109	0.26840883	-0.700251	0.68714124	0.05875164	-0.39708775	0.7006384	-0.24838361	0.3987875	0.9996328	-0.08367282	0.41890812	0.655181	0.026598101	-0.54550385	0.62377787	0.9978392	0.48744157	0.5116838	0.028909894	-0.17844555	-0.537595	-0.6338675	0.65351856	0.41250578	0.2897521	-0.1512701	0.5111206	-0.99600905	-0.80262065	0.48109782	0.17784351	-0.33475497	0.20218122	0.12420532	0.40198147	0.07480788	0.44368774	0.3718956	-0.09207433	0.6414288	-0.9868501	-0.07075882	0.65733963	0.7474782	0.5332784	0.46939105	0.77498955	-0.45387605	0.7547374	-0.996476	0.3372463	0.2539655	-0.93661994	0.09056426	-0.5487761	-0.9725189	0.72648054	-0.114531115	-0.35131237	-0.118853554	0.36772758	-0.05117747	0.21875292	0.09671786	0.9983098	0.028917676	0.23704094	-0.52438563	-0.033524707	-0.24407575	-0.52098614	0.5462559	0.4254487	0.9895199	-0.99997014	0.52025187	0.41710702	-0.3257794	-0.777708	-0.23581362	0.13897565	0.032051492	0.35478842	-0.66670674	0.16462544	0.68988764	0.6995473	0.8149722	-0.9868164	0.7159643	0.081808485	-0.28860515	0.14494176	-0.5659664	0.40927437	-0.11076715	-0.581512	0.14748707	0.589817	0.999884	-0.46568713	-0.018408427	0.18211383	-0.36970872	-0.13098215	-0.992583	0.70679563	0.14664629	-0.45815355	-0.30398482	-1	0.58861095	-0.61495364	0.4463356	0.30450672	0.38138548	-0.44953674	0.63100845	-0.9999936	-0.3480492	-0.28345883	0.6188895	0.8002967	-0.026580881	-0.692793	-0.5165859	-0.46499076	-0.9999294	-0.6119027	0.40514487	0.991922	0.110103846	-0.5699747	-0.60102123	0.14709459	-0.2891573	-0.4948101	0.6731916	-0.5425086	-0.009903654	-0.5875088	-0.58154756	-0.113157794	0.6197789	-0.7608679	-0.9663108	0.105631866	0.4815321	0.1310381	-0.17485747	-0.21043518	-0.39707527	0.6458411	-0.12841307	0.9722592	-0.45473835	-0.077621005	0.3238044	-0.22873786	0.48203295	-0.74297816	0.2705796	-0.5376638	0.35162616	-0.018472936	0.052470047	0.3516901	-0.9272441	0.29149613	-0.7465119	-0.027296724	-0.085204214	0.022603465	-0.3214672	0.21310714	0.16922283	0.6120129	-0.69364893	-0.77415174	-0.99977976	0.8303315	0.2518004	0.76705486	0.5177311	0.34539363	0.6223445	-0.40142918	-0.14657024	0.08254792	0.77441174	0.4853752	-0.5062682	-0.8718264	-0.62179667	-0.96184736	-0.45081916	-0.5561881	-0.5293798	-0.23871434	-0.17107858	0.2749638	0.46241078	0.7310543	0.03522876	0.1590221	-0.10567735	-0.10800472	-0.31741023	0.1518833	-0.34660965	0.74578077	0.37264425	0.24532768	0.42624304	0.18233979	-0.6812454	-0.36533964	-0.51426005	0.56322235	0.031012852	0.7424973	0.4430473	0.2708552	-0.15841374	0.5243473	0.88730675	0.2891234	-0.13794717	0.13395861	-0.49732697	0.6630956	-0.14662896	-0.68421197	-0.66439617	-0.28608733	-0.356943	0.7542897	-0.053463154	0.8939362	-0.13395315	-0.3197505	0.9993528	0.001311041	0.12605144	0.20436898	-0.568553	0.45097744	-0.38963735	-0.6917295	-0.6060228	-0.60128605	-0.9197717	-0.11492945	-0.68838257	0.3228199	-0.17385186	-0.42205694	0.9806755	-0.81000173	-0.48743916	-0.2410359	-0.99955887	0.26765463	-0.57492745	-0.28083965	0.4271965	0.99999994	-0.9890292	0.4028916	-0.23632745	-0.21080056	-0.60991293	-0.1404262	-0.11093949	-0.69652545	-0.5396091	-0.99997294	-0.38737094	0.97342587	0.18624197	0.54039854	0.29992726	-0.14444026	0.04350898	0.62789744	-0.017663779	0.039070327	0.2661012	-0.97903395	0.009189953	-0.6310426	0.55345154	-0.81693006	-0.51964676	-0.34690917	0.758645	-0.40162963	-0.81083775	-0.5664987	-0.2465937	-0.33175585	0.49441886	0.29901493	-0.25298005	-0.0804487	0.892156	-0.72983706	0.51368576	0.002771117	0.33187142	0.21213254	-0.13256378	0.6050831	-0.44717607	0.14223091	-0.031628504	0.09923548	0.23539919	0.32282066	-0.99902254	0.9826459	0.21679614	0.21296628	-0.6675879	0.22854577	-0.35372448	-0.35115835	0.9994478	-0.32332066	-0.7900372	-0.32388872	0.060617343	-0.23268984	0.4031125	-0.96279156	0.008108041	-0.4852285	-0.23611964	-0.23018353	0.59664375	0.15064424	0.34884742	-0.15982372	-0.8449241	-0.4857102	-1	0.54686296	-0.818737	0.08903416	0.5264845	0.8928542	0.28256863	0.85590893	0.39021185	0.4824308	0.7674964	-0.40402094	0.2715978	0.26737818	-0.95382154	-0.26849812	-0.36253005	0.5418834	-0.4301347	0.4942593	0.36949074	-0.3846077	-0.66775644	-0.7617087	-0.8501988	0.9745932	0.37811422	-0.49187642	-0.3654802	0.17987068	-0.52981114	-0.54721636	-0.70890427	-0.37351388	0.08098619	0.24305551	0.6709276	0.29262903	-0.19134411	-0.65428555	0.6987466	0.9999251	0.023633398	-0.95352566	0.05180918	0.99964947	-0.52170473	0.13301444	-0.9995646	0.17207825	-0.97255754	-0.7973598	0.019610837	-0.76160395	0.23563702	0.14661677	-0.81668246	0.03712078	-0.26284352	-0.42043108	0.06114699	0.49256665	0.52478516	-0.8441325	1	0.99807245	-0.30730185	-0.06326533	-0.884873	-0.7424115	-0.37975302	0.60539675	0.52265877	-0.4933108	0.48837584	-0.5663859	-0.25292817	0.25814217	0.33729884	-0.3368786	-0.48309457	-0.036089838	0.99980766	0.29126546	0.3004104	0.011638241	-0.26070982	0.023544423	0.29468182	-0.79710144	-0.6328749	0.31930605	0.345569	0.5204844	-0.42217696	0.5721805	0.9145957	0.4125865	0.77231276	0.45553294	0.60723823	0.040225655	0.008904743	0.62005955	0.48108625	0.3158909	-0.67317	-0.8772652	-0.11094288	0.12787856	-0.7316563	0.2362308	0.2868155	0.39633933	-0.66676915	-0.049823478	-0.048189927	0.49046066	0.9998934	0.25526395	0.08426001	-0.080716744	-0.12683721	0.4927114	0.9992753	0.6278833	-0.07954141	0.73467475	0.004699176	-0.3554585	-0.015648352	-0.99831367	0.111661784	0.19562213	0.7125911	0.7769936	0.24610361
558	1	CCN(CC)CCNc1ccc(CNC=O)c2sc3ccc(OC)cc3c(=O)c12	-0.20733993	0.4247158	0.5822168	-0.18239039	-0.36900187	-0.56610596	0.6735984	0.118444584	-0.5964614	-0.06296282	-0.09864577	0.26875567	0.5836817	-0.77328503	0.16710566	0.35864565	0.4753769	-0.80185235	-0.09878541	-0.34456336	-0.31531018	-0.4405696	-0.41200486	0.47208965	-0.40286013	-0.15681385	-0.6268247	-0.7365534	-0.6065458	-0.7287509	0.7855441	-0.342255	-0.21128015	-0.38926852	-0.7783858	-0.50069225	-0.14150181	0.7106204	0.9998591	-0.5267738	0.5929856	0.03520376	0.23269162	0.5224672	0.016444676	0.73940736	-0.19677769	-0.7040725	0.5192324	-0.659857	0.6661778	-0.40003103	0.5149712	-0.070210524	0.005216446	-0.48752758	0.40411645	-0.8980746	-0.47194347	0.52096725	-0.55204815	0.262969	0.020803167	0.14413929	0.08976805	-0.009724141	-0.75933725	-0.19470917	0.15706141	-0.2759225	-0.95459074	-0.9456843	0.05337348	-0.8539167	0.6335555	-0.64497274	-0.8779083	-0.18757065	0.3004557	-0.99961126	-0.048504945	-0.28839484	-0.97113216	0.4052877	0.6090845	-0.7472624	0.5606311	0.29820314	0.19555405	0.7536841	0.24630335	-0.23466401	0.2744828	-0.19144619	0.9977877	-0.3778712	-0.36380228	0.005951257	-0.7869406	0.049868125	0.7896511	0.4893654	-0.29012597	0.33157018	-0.9996263	-0.81013966	0.40140757	-0.124088384	-0.9988052	-0.028835231	0.46726003	0.8744044	0.013078252	0.28259176	-0.74337375	0.9280242	-0.45238653	-0.16024704	0.87579054	0.3105022	-0.57354563	-0.6743958	-0.38744488	-0.5570333	0.24972314	0.2828624	0.2682085	0.7488932	-0.5579161	0.99941254	0.46205765	0.47091317	0.08737574	-0.24013856	-0.40093765	-0.97080386	0.31749314	0.51320875	-0.71438426	0.4971059	-0.99997264	-0.20635295	0.14301106	0.285439	-0.14283551	0.15025823	-0.8271333	0.38871193	-0.99814045	-0.24205934	-0.4586529	0.67377704	-0.24211903	0.33874246	-0.30370146	0.48528558	-0.47225475	-0.94066197	-0.80904573	0.7509751	-0.05172194	0.8575715	-0.16446428	-0.26543802	0.5345846	-0.097694434	0.0909605	0.35379058	0.11470903	0.042904742	-0.26012334	0.022829536	0.3199178	0.1982545	-0.45081657	0.26297688	-0.5365446	0.29028222	-0.62227654	-0.493696	0.25844163	-0.8814593	0.3570081	-0.24511783	0.83277833	-0.3580139	-0.47179246	-0.20482698	-0.2595655	0.38900626	0.7344149	0.6072216	-0.61556	0.8110329	0.32938117	-0.13731672	-0.5278767	-0.72873497	-0.08549788	-0.04758988	-0.39333636	0.11234331	0.5858578	0.29681435	0.5032988	-0.46689424	-0.5751303	-0.5546891	0.38756758	-0.99994355	0.4590463	-0.100172766	-0.15530662	0.5410142	-0.11495922	0.4949426	-0.3108583	-0.39595687	0.18957965	0.15736173	-0.31332913	-0.51280016	-0.8859027	0.47742975	-0.9087382	0.684705	-0.14967833	0.40633833	0.035191406	-0.54098636	0.57522637	-0.68919003	-0.011302916	0.55926335	-0.4872018	-0.31845984	-0.28461343	-0.7941164	-0.82875663	0.48609668	0.62625027	-0.4380309	0.124358006	0.7215362	0.34723532	0.042679835	-0.20280947	-0.101447076	0.49264866	-0.16175987	-0.6175888	-0.79528046	0.26563683	-0.35725522	0.5773686	-0.40222824	-0.083934054	-0.91723067	0.14613084	-0.26698032	-0.44520578	-0.7693594	-0.75628585	0.57670724	-0.53919786	0.46184787	0.19165654	-0.16429394	0.30215865	0.14110939	0.5253704	0.999849	0.15671545	0.7165874	-0.57441694	-0.92173415	0.15560152	0.7873178	-0.07769181	0.53297126	0.5468042	0.95411766	0.2985401	-0.8554305	-0.40958816	0.15739165	0.5474105	0.15380158	-0.99258703	0.047996238	0.10586671	-0.07034378	-0.101123884	0.86589175	-0.003920415	-0.031701744	0.9999937	-0.962819	0.4771243	-0.82465446	0.19919339	-0.11823557	-0.5672635	0.1813518	-0.32087862	-0.65031284	-0.99787927	0.8051518	-0.13947141	0.1949696	-0.44442585	-0.14166509	-0.18589719	-0.09012984	0.10774724	0.26750064	0.71774787	0.46337184	0.95280784	-0.06950045	0.7008182	0.29704127	0.4945475	-0.5030043	0.040029008	-0.34368873	0.5090707	-0.5136859	-0.1044941	0.73907536	-0.5834982	-0.31415305	-0.06314292	-0.1919825	-0.39957622	0.12886341	0.07542414	0.3438187	-0.43905607	-0.14102256	-0.8242674	-0.15614243	-0.52614707	0.12680233	0.48410353	-0.7472972	-0.2254667	-0.07809442	-0.18409342	-0.96411824	-0.34143543	0.4599698	-0.6168336	0.60262406	0.65566415	0.11668863	-0.5809724	0.9997463	-0.36163643	0.47384527	0.79402524	-0.5405221	-0.6559479	-0.008054201	-0.76992935	-0.6225599	0.008048748	-0.35992444	-0.40713564	-0.45841593	0.6032549	0.5244802	-0.15760155	-0.78138745	0.64969844	-0.93003374	0.0843763	-0.24486464	-0.33787838	0.52572584	0.042927455	0.22886527	-0.32647637	0.46832392	0.14269328	-0.1394164	-0.57631993	0.021753682	-0.1238377	0.4834771	0.2571196	0.06492985	-0.104741074	-0.48458233	-0.49711055	-0.72210604	0.29578277	-0.5309487	0.2677973	-0.64817	0.9410626	-0.1554188	-0.31398717	0.4361078	-0.12170441	-0.37397286	0.17031874	-0.7748626	0.32320023	0.52546	-0.17913505	0.060090255	-0.4423318	0.41818112	0.22177301	-0.7214618	0.9501029	0.041168135	-0.9843618	0.3209067	0.9997624	0.5132551	-0.12226111	-0.98869985	0.5286299	-0.83457243	-0.029623173	0.5224742	-0.08568902	0.3661318	-0.19364144	-0.3418999	-0.12707095	-0.32250866	0.33865166	0.2727388	0.26917973	0.35894996	-0.9998797	0.9999973	0.54221535	-0.21605232	0.26473024	-0.16339715	-0.7410956	-0.1208798	-0.51212966	-0.5625686	0.5410147	-0.2993974	-0.64077914	-0.240628	0.022874119	0.78321177	0.22516124	-0.13173968	0.3242566	0.9597554	-0.9978802	0.26203406	0.7847352	0.37029287	0.44883254	0.55547655	-0.34445682	0.1266801	0.55189365	-0.4200456	-0.43198508	0.28721803	0.8042811	0.9871692	0.332252	-0.16823287	0.8405582	-0.19080828	-0.10904329	-0.32556197	0.664089	-0.60926056	0.55652815	0.21335402	-0.9798696	0.15944321	0.55828494	-0.43627462	0.1705977	-0.19793372	-0.18418716	0.86007	0.4692375	-0.12486837	-0.5142448	0.999486	0.7089172	0.14347628	-0.12289298	0.59823024	-0.124536686	0.9999877	0.4506802	-0.005529317	-0.19714925	0.073581286	-0.3730929	-0.657123	-0.9990558	-0.10839018	0.31710264	0.44917873	0.3841135	-0.37949166
559	1	CCOC(=O)COc1ccc2c(c1)CC(NCC(O)c1cccc(Cl)c1)CC2	0.05041712	0.54705346	0.3120015	-0.6074889	0.12150086	-0.07853171	0.009141393	0.08291498	-0.1406499	-0.40422767	-0.37120762	-0.07402273	-0.30939266	-0.583914	0.5427306	0.12166386	0.20770328	0.3174179	0.5459873	-0.15062168	-0.18165572	-0.36393476	-0.115131	-0.5251256	0.20291735	0.5329963	0.25011262	-0.11640312	0.4225523	-0.63290447	0.48164427	-0.6537668	0.33660328	-0.05372638	0.34006134	-0.094544366	0.7027218	0.2151361	0.9991524	-0.5016759	-0.2370126	0.01281172	0.1574942	0.28473148	-0.029626407	0.4950701	0.47261682	0.31239957	-0.5407746	-0.00198953	0.27516988	-0.07207759	-0.112907656	0.5431589	0.16146548	0.5645439	0.5167189	-0.6613518	0.766177	0.33076406	-0.5939889	-0.71272886	0.21619076	-0.1225115	-0.499646	0.07001661	-0.23265588	-0.14545271	-0.079746395	0.12016354	-0.9925236	-0.92906564	-0.061499543	0.41658705	-0.06002455	0.73864883	-0.14710213	0.32747743	0.1800595	-0.99715596	-0.20260485	0.11871114	-0.94013995	-0.64980763	0.001723535	-0.9384438	-0.5469695	0.3042013	0.01556909	-0.10363679	0.21700194	0.29671368	0.04798145	0.42490104	0.9991747	-0.02082887	0.63378847	0.63900816	-0.16742425	0.09657241	0.3532597	-0.14035109	-0.4235857	0.9826691	-0.99841	-0.35618395	-0.086595185	0.3670818	-0.999678	0.20697227	0.47487193	-0.30335006	-0.05355862	-0.13352576	0.18569364	0.75358725	0.3856747	0.7646575	0.89706373	0.70425534	0.48102483	0.42411208	0.59275943	-0.19922027	0.103495814	-0.26650482	-0.37629384	-0.54841435	-0.67163867	0.99921525	0.27468473	0.75178474	-0.039562825	-0.46863285	-0.03452484	-0.92578954	-0.01855208	0.15295343	-0.06575505	0.25563952	-0.9999989	0.08440156	0.4904979	0.8012971	-0.17724092	0.18757184	-0.55646867	-0.5367618	-0.98936564	0.6242205	0.7698426	0.2590739	0.5875091	0.003578982	0.10959058	0.39710903	0.35113505	-0.76902795	-0.49709752	0.8635552	-0.31691858	-0.39767238	0.55177736	-0.043042336	-0.027925499	-0.5003617	-0.7829517	0.28261864	-0.39167568	0.21451464	-0.029374236	0.3589832	0.5953347	-0.07934535	0.074486434	-0.91111857	0.31756407	-0.5115893	-0.614561	-0.32118967	0.6641796	-0.82179254	0.6956613	0.011115757	0.6967799	-0.057514843	0.526355	-0.22939058	0.026458943	0.6822435	-0.7684885	0.35254	0.44637948	-0.51124156	0.031099655	0.67842036	0.077148356	-0.8144695	0.7081745	0.5697654	0.113060445	-0.029506423	0.65391576	0.47530735	0.20329435	-0.4832296	0.663884	-0.63817894	-0.30718744	-0.9999217	0.17903055	0.106698126	-0.003960942	0.27867305	0.040666755	0.39319637	0.59596044	0.19726735	0.4003187	-0.32841003	0.044054486	0.5159413	-0.52526957	-0.35925084	0.99062353	-0.54754585	0.12932268	-0.5015808	-0.5649256	0.48007336	0.2344269	0.3924411	-0.43822762	0.31741765	0.5873691	-0.220905	0.39922604	0.07572492	-0.07168744	0.4932385	0.9417953	0.4916328	-0.13682978	0.11680178	0.010634496	-0.17785509	-0.73220396	-0.50230193	-0.21855192	0.08031417	-0.6168805	-0.8191228	0.1403496	0.6434444	-0.37301162	0.41517007	-0.15634994	0.30768478	-0.6012725	0.03546136	-0.34486502	0.009591329	0.42171237	-0.2760645	-0.41323453	-0.5258949	-0.54579955	0.79638577	-0.43703395	-0.20619386	-0.39368266	0.9969979	0.20464425	-0.066500634	-0.35217193	-0.7514057	0.48382658	0.29494902	0.059029445	0.42219803	0.5037104	0.9858452	-0.056731816	0.31567246	-0.21412838	-0.31033257	0.0327376	0.16421682	-0.97468936	-0.22075765	0.36723626	0.2745111	-0.66577035	-0.07895384	0.11236952	0.5411508	0.9999981	-0.9605665	0.19873038	0.32486892	0.3459358	-0.5524895	-0.44593766	0.34004638	-0.62597156	-0.77501166	-0.996871	-0.24617825	0.9366428	0.44048095	-0.6631386	0.62241715	-0.59659284	-0.30169508	0.1918744	0.70413345	-0.48136637	0.47951987	0.9472735	0.062179726	0.06172529	-0.11144683	-0.22871125	-0.2845124	-0.014705123	0.07551832	0.43116242	-0.75820416	0.27869153	-0.2782965	0.20333613	-0.3277315	0.27591953	-0.8304771	-0.08814998	0.069746934	-0.06510436	-0.598058	-0.21338916	-0.4158447	0.15868288	-0.4913747	0.103770085	-0.009140981	0.3707648	0.082860745	-0.3064111	0.26113138	-0.30070153	-0.9302169	-0.77368325	0.46615064	-0.03167881	-0.53764445	0.2448324	-0.37921676	-0.2581111	0.9998329	0.47203502	0.15995452	0.553539	-0.11857422	0.35668918	-0.55243456	-0.8618315	-0.39910248	-0.031041974	-0.42890403	-0.29947183	0.32369605	-0.26530668	0.5037474	-0.75082904	-0.56704175	0.41604817	-0.99241376	0.8477441	-0.23481181	-0.26295567	-0.4473877	0.73378366	0.5099258	0.70707995	-0.57633716	0.58129877	-0.026321646	0.39461395	0.132114	-0.22936934	-0.82856745	-0.09368519	0.51005656	-0.7665901	0.15839735	0.74966425	0.4857606	0.44954664	-0.09398385	-0.8541562	-0.28865224	0.8501397	0.40404123	-0.4157871	0.19031449	0.06713509	-0.10264692	-0.29022887	-0.7728743	-0.2872683	0.7100109	-0.694436	-0.048596483	0.16095024	-0.3691303	0.62101096	0.71695447	0.93737894	-0.20757273	-0.90829724	0.4495051	0.99956214	0.18192355	-0.17266503	-0.9822262	0.5619039	-0.8587334	-0.787603	-0.0997674	0.19401763	0.6550862	0.4387417	-0.37738773	0.20171812	0.40324032	0.53845364	0.024491739	0.19134559	-0.000604602	-0.99990535	0.9999999	0.74169695	-0.5444127	0.1671506	-0.6277458	-0.5652595	-0.4630088	0.5545909	0.4543452	0.34593335	0.031904735	-0.47689602	0.25406334	0.6929559	0.003219426	0.40505242	-0.34969923	-0.49432063	0.97040313	-0.9989882	-0.15502167	-0.47217718	-0.47571534	0.101783685	-0.6080217	-0.767445	0.30046493	0.061427	0.07761567	-0.09376459	-0.27470475	-0.8569965	0.98306847	-0.24069917	0.62295777	-0.12671359	0.8062817	0.03153729	-0.5357939	0.09554591	0.029695407	0.67117125	-0.35826826	0.21289214	0.114711024	-0.46308148	-0.34543893	0.82661724	-0.0682207	0.76614445	0.19003564	-0.5755496	-0.13113718	-0.34361115	0.999449	-0.16482924	-0.7523712	-0.05066897	-0.33716083	0.8189147	0.99998915	0.7259071	-0.03944438	-0.2533246	-0.3126226	-0.2810477	0.11569491	-0.99827754	-0.091808006	0.10837473	0.054814763	0.5759556	-0.40530384
560	1	COc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1	-0.45004353	0.1755121	0.41806772	0.1396982	0.4610053	-0.4327482	-0.36343104	0.25282013	0.7112564	-0.4061108	-0.11356362	-0.39976597	0.30826682	-0.17301476	0.45804557	0.5021407	-0.69137484	-0.16646495	0.15171796	0.59213364	0.70471585	-0.3794652	0.5817515	-0.28217325	0.36013502	0.30150902	0.22410059	-0.031450413	0.113403685	0.051729087	0.37703466	-0.37405464	-0.036643375	0.3296809	0.30870295	-0.26182926	-0.23822655	0.3164134	0.9997795	-0.7234347	-0.584801	0.053510506	0.19505367	-0.64444536	-0.4046703	0.82610816	-0.27155122	-0.18436082	0.30306482	0.3402578	-0.7094148	-0.06659756	-0.27814242	-0.30582422	-0.027118213	-0.23904268	-0.2787063	-0.86671966	0.33034918	0.27235338	-0.14254391	0.17756471	0.552559	-0.34658396	0.39773273	-0.3395184	-0.36625046	0.4755158	0.011798988	0.8547726	-0.9466047	-0.39788187	0.251628	-0.86127985	0.60400444	-0.0833781	-0.3730791	0.095300615	0.1757985	-0.9975252	0.16556156	0.03996517	-0.90295273	0.56961995	-0.14071327	-0.96119535	0.31834042	0.17537339	0.07847977	0.09385833	-0.07315736	-0.7022968	0.63808763	0.10770524	0.99933493	-0.10372843	0.5488396	0.42007634	0.03793074	-0.58608705	0.09513422	-0.2560539	0.20200878	0.96098983	-0.99969643	-0.9018389	-0.25528172	0.7585418	-0.9989209	-0.42551762	0.10766428	-0.15417033	-0.3273598	0.77857465	-0.53191787	0.06407843	0.36285958	0.3066351	0.7076464	0.24428394	0.075689115	-0.04032296	-0.24660657	0.6627327	-0.25688276	0.60477936	-0.26100245	-0.2677622	0.17714646	0.99987	0.38146913	0.5438804	0.1218864	0.1710046	0.15437111	-0.99157107	0.2870318	0.28922498	-0.43182784	0.8746009	-0.9999978	0.011733677	0.12369861	0.18942003	0.3664812	0.6621582	-0.7503847	-0.10794575	-0.99903905	-0.5003577	-0.14299168	0.8331191	-0.11860096	0.43643808	-0.35602415	0.39671984	-0.26985216	-0.97794044	-0.84209937	0.8634663	0.34317282	0.62382483	0.085301004	-0.13979602	-0.5832764	0.108939335	-0.3000015	-0.222694	-0.2109501	0.52174586	0.01271758	-0.33050528	0.20790766	0.05082313	0.41366386	-0.33677706	-0.4707075	0.6295136	-0.46975812	-0.3125549	0.4918211	-0.9454286	0.50142634	0.43418315	0.38582584	-0.17755367	0.44274107	0.4270343	-0.09489611	0.50155616	0.3112248	0.27352464	-0.35640174	-0.5026115	-0.02845389	0.07014421	-0.6045373	-0.61494523	0.47748682	-0.19320753	0.6068618	0.12276839	-0.019352857	-0.12141158	-0.33358032	-0.28721574	0.11400571	-0.047907654	0.113752484	-0.99992627	-0.00708772	-0.35206264	0.38199505	0.029565424	0.11021758	-0.0541326	-0.32312414	0.118584566	-0.24426334	-0.27994725	-0.16113138	0.25741598	-0.55261576	0.33197775	-0.95645714	0.117804825	0.44343668	-0.5803599	-0.601573	0.263548	-0.30784154	-0.001384544	0.8449334	-0.314868	0.3500275	0.10445259	-0.047060348	-0.013806273	0.32442936	0.44288117	0.83644754	0.30462924	0.033091247	0.41242772	0.61086845	-0.11713391	-0.29604948	-0.47653076	0.15374294	0.19883396	-0.08010251	0.14150794	0.39518413	0.34796646	-0.6882424	-0.19756062	-0.23978697	0.63603026	0.22359425	-0.21548787	-0.033465426	0.3162048	0.6467263	-0.7108017	0.61342674	0.08331581	-0.43782696	-0.30229366	0.56311256	0.60316753	0.41138867	0.97833055	-0.517733	-0.3303736	-0.04375806	-0.42746404	0.006173174	0.8367591	-0.047619972	0.698791	0.14317177	0.94544894	-0.3292711	0.111322254	0.43886825	0.49342448	-0.08118036	0.12150756	-0.9950107	0.47767374	0.17462987	-0.56232405	-0.47779214	0.36826137	0.22813463	0.34313837	0.9999997	-0.9927122	0.59744954	-0.2559456	0.10034506	0.05026074	-0.8216142	-0.4677993	0.04538325	-0.38377556	-0.99907136	0.41307402	0.85914075	0.027626222	-0.2739768	0.07175954	-0.016641395	0.52752125	0.008260273	-0.27739555	0.016103914	0.5260985	0.91805625	0.35827997	-0.5122753	0.4843492	0.46042007	-0.78951514	-0.47554842	-0.5034418	0.89071465	-0.91585827	-0.04934963	-0.59164155	-0.08786206	0.09516257	0.3699772	0.11755099	0.21185265	0.8328317	0.7739865	-0.56697917	-0.6482746	0.34461033	0.46982682	0.4616466	0.122324675	0.23177238	-0.2586869	0.3455357	0.24806774	-0.060174096	-0.28777188	-0.98631495	-0.44962978	0.47779283	-0.2503994	0.03418584	0.3824581	0.043437682	-0.43377078	0.99931663	-0.043488197	0.31731516	0.3087026	-0.5762631	-0.17773019	-0.27002147	-0.9295237	-0.45188594	-0.50203985	-0.5592172	-0.8041731	-0.35655442	-0.36392695	-0.3498482	0.51485807	-0.7220406	0.0590769	-0.9999999	0.656266	0.23672485	-0.37476575	0.4477473	0.23801449	0.5072178	-0.22859907	-0.29135484	-0.09150158	0.4442139	0.4817371	0.4828213	0.04316133	0.5692056	0.7394239	-0.37843382	0.041249625	0.58465385	0.48477668	0.197303	-0.39158925	-0.4936811	-0.6365822	-0.35032755	0.88527733	0.4708834	0.62754637	0.7568246	-0.3605243	-0.7039591	0.07376085	-0.029608693	-0.056955267	0.3566133	0.10094205	-0.08413523	-0.18516968	-0.14936823	-0.19974993	-0.4270305	0.95430297	-0.12506898	-0.9285027	0.060214754	0.9994828	0.15912901	0.13875355	-0.9835674	-0.19840275	-0.85316485	0.18456742	0.28374922	0.2600454	0.18117903	0.61052793	-0.66785973	0.030476833	-0.482646	-0.16024819	-0.14862041	0.38150215	-0.7027482	-0.99968183	1	0.7624536	0.4258447	0.24121512	-0.5355879	0.1541155	-0.4418943	-0.75003844	-0.6532445	0.26017994	0.39308438	-0.86016905	-0.38180932	0.31921864	-0.31556004	0.8231371	0.12587936	0.1765364	0.9870425	-0.99741995	-0.26988587	0.25936607	-0.38683492	-0.39017928	-0.04851722	-0.6209885	0.23010622	0.116673194	0.41540813	-0.17432567	0.49830773	0.25667638	0.98851043	-0.45503953	0.6087199	-0.18512693	0.4459469	0.17440093	-0.7817342	-0.6419841	0.4253363	0.23555201	-0.31255043	-0.80082	-0.37575874	0.029137043	0.4553023	-0.40981346	0.4958379	-0.1208667	0.7841899	0.050929923	0.6563167	0.19729227	0.99979776	0.22180545	0.50458205	-0.42623255	0.18310697	0.7095602	0.9999267	0.3756848	0.03975994	0.605087	0.31616977	-0.08183704	-0.7480727	-0.9985164	-0.2774988	-0.25136164	-0.048510447	0.5149591	0.19653979
561	1	O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2	-0.07811896	-0.33951968	0.14786088	0.34263977	0.2410556	-0.6647555	-0.07280951	0.6408344	-0.23372509	0.3825214	-0.14859068	-0.07737758	-0.16666794	0.016161721	-0.36921823	0.49505904	0.11917331	0.26996046	-0.20975113	-0.0622329	0.15117106	-0.6559263	0.40867767	-0.27572513	-0.30732194	0.7847463	-0.12659879	0.36434564	-0.25037485	-0.3991203	0.12954406	-0.23273934	0.40257117	-0.41848186	-0.040486522	-0.039338697	0.7206226	0.13399334	0.9795066	-0.7509321	-0.98859566	-0.3577945	-0.1094579	0.3364713	0.25776118	-0.9123885	0.16181253	0.22757222	0.7367842	-0.5045554	0.7803679	-0.007687033	0.035739623	-0.7196911	-0.57028717	0.28714365	0.1831658	0.5096917	0.2607183	0.70772797	0.39518565	-0.105642885	0.71739614	-0.22768919	-0.41362077	0.7569798	-0.5671078	0.88039595	-0.7258933	0.09228241	-0.86910075	-0.95356524	-0.12712578	0.600604	0.18130241	-0.25844854	-0.69923085	-0.62227976	0.3795888	-0.9996375	0.20735238	0.46546564	-0.687683	-0.4564204	-0.0882189	-0.71102536	0.17689429	-0.12955484	-0.22523482	0.4276568	0.07182943	-0.44866675	-0.50428605	-0.10671289	0.99778277	0.15315172	-0.02921199	0.157811	-0.2898533	0.40638804	0.08720752	0.15988812	-0.47037834	0.9802366	-0.8644515	-0.2771347	0.70581245	-0.231172	0.95792353	-0.056547623	-0.5283068	-0.44530302	0.017405853	-0.23761074	-0.5368005	0.65348774	0.15505041	-0.18908639	0.9970688	0.6296361	-0.13844852	-0.29129624	-0.08433919	0.50260675	-0.49712873	-0.50838053	0.4914337	0.36778432	-0.02453724	0.99871624	-0.25744703	-0.30424225	-0.2596706	-0.62571	-0.029121595	-0.9819183	0.41157618	-0.44171923	0.29446143	-0.8335634	-0.99999744	-0.7921375	0.9272804	-0.48875895	0.32713708	0.24682769	-0.7025654	-0.28104973	0.3826303	-0.4773361	0.10888201	0.5470791	0.6875661	0.2203923	0.21457484	0.29557994	-0.67200816	0.9421928	-0.14693044	-0.85490286	-0.92455596	-0.12450759	0.19067177	0.32588145	-0.2105603	-0.30981898	-0.069083214	-0.295996	0.1402391	-0.2432478	0.40873525	-0.13194036	0.27976882	0.027478408	-0.56300414	-0.9435014	0.83724374	-0.2930224	-0.32448032	-0.27361864	0.26428485	-0.6175075	0.055631142	0.0741456	-0.5318995	-0.4456677	0.34056875	0.0802194	0.50222534	0.4030383	-0.18528241	-0.47909397	-0.27780476	-0.3859381	-0.40191785	-0.399074	0.48118782	-0.86061454	0.66529274	0.05061475	-0.13361649	0.22713806	0.137807	0.26331416	0.1305541	0.64833385	-0.097456746	-0.6709302	-0.30302337	-0.99975467	-0.2455659	0.6510549	0.20398441	-0.45294824	-0.35094646	0.12986007	-0.19310935	-0.57159793	-0.23132586	-0.048662867	0.22381051	0.24257576	-0.86473745	-0.2426412	-0.94918585	0.14939511	0.06888048	-0.15864065	-0.59472764	0.45198488	-0.18182157	0.52226424	0.57528156	-0.83359176	0.13761105	0.33601892	0.20703706	0.09133229	0.23640963	-0.49877226	0.94982284	0.40075797	0.7414093	-0.37492752	-0.5571131	-0.04330791	0.34411803	0.051882923	0.43160024	-0.16290526	0.36189348	-0.7552511	-0.36411163	0.49758586	0.31833035	-0.10967352	0.13241237	0.5111208	-0.46255624	-0.2667728	0.59973305	0.5438666	-0.016272042	-0.23966844	0.5440948	-0.17280246	-0.4100831	0.34648037	0.10751329	-0.12701198	0.24440628	0.96424687	0.110803686	0.2230345	0.06751347	0.8914396	0.09753799	-0.120298736	-0.7158762	0.29110023	-0.24113697	0.99901897	-0.63279784	-0.000231914	0.28085572	-0.30805126	0.20415325	0.77689093	0.96756303	0.06848704	0.52182853	0.9942437	-0.25728256	-0.7189152	0.45337516	0.4410403	0.9999993	-0.9566447	0.82323736	0.14767027	-0.51428276	0.421502	0.71620643	0.11483857	-0.6403911	0.014054206	0.06691322	0.5212674	0.5365828	-0.15174872	-0.10639486	-0.13208713	-0.353893	-0.15026312	0.7266321	0.33775696	0.023325417	-0.5815908	-0.9999339	0.5932149	-0.40741724	-0.312395	0.6020399	0.12094694	0.13921094	0.3551372	-0.39523286	-0.88576525	-0.22591771	-0.1746359	-0.4625305	0.5795365	-0.04548299	-0.55551296	-0.5141823	-0.06276075	-0.4580996	-0.39911863	0.11686318	0.05186542	-0.35863027	0.49314854	0.08981145	0.35850403	0.6906627	-0.41298142	-0.08206784	0.21295853	-0.23707996	-0.16956599	-0.9865729	0.4922377	-0.36506036	-0.5207251	0.4359788	0.03713068	-0.19592871	0.99968797	-0.56267864	-0.015184713	0.024368623	-0.26154146	0.6119967	0.3032519	-0.09183725	0.029968185	-0.041283995	-0.26054755	-0.22424494	0.67164797	-0.12902299	-0.46650276	-0.06593129	0.3871885	0.031467292	-0.98544943	0.37176433	-0.5583626	0.5994801	-0.4910035	0.24414389	-0.39534223	-0.065346874	-0.28034955	-0.14916265	0.51775986	0.2119193	0.38663423	-0.1694862	-0.899228	-0.13268545	0.53369355	0.18137044	-0.09498967	-0.11417326	-0.1905349	0.09913776	0.5163485	0.051068835	-0.1395613	-0.20550105	0.000829216	0.53342617	0.47374097	-0.044444557	-0.2275247	0.06101645	-0.6345733	0.22147915	0.10386034	0.24170087	0.36718285	-0.30814952	-0.6148629	0.42645317	0.43609264	1	-0.10855135	-0.97843033	0.70669645	0.9993657	-0.5534728	-0.15061261	-0.9998903	-0.19596766	-0.78522617	-0.30803654	-0.5875846	-0.6439768	0.52053356	-0.37137815	0.2797749	0.35984054	0.4855522	-0.31106114	0.22361845	-0.31176323	0.055293273	-0.9999682	0.9999999	-0.82348585	0.07102139	-0.7720945	0.26933596	-0.061181854	-0.25311974	-0.29046994	0.039662953	0.09069615	-0.027165197	-0.00946203	-0.21840198	-0.17401554	0.033384833	-0.24016972	0.21815401	0.55791533	-0.46220654	-0.99990994	0.5552864	-0.42082474	0.26983172	-0.25154823	0.5434755	-0.96027225	0.12939641	0.3959431	-0.3355546	0.111362115	-0.002868197	-0.77665603	0.75775635	-0.3567332	0.65625674	0.079521455	0.6310565	0.040061105	-0.118923806	-0.7254689	-0.54708165	-0.2875626	-0.50251096	0.058283456	-0.6294216	-0.2681839	-0.27553633	-0.1062108	-0.3976462	-0.007887644	-0.76237845	-0.24633677	0.00848287	0.855626	0.90260863	-0.36195242	-0.47939008	-0.2821553	0.19745032	-0.07378635	0.9992831	0.654771	-0.14109528	-0.13403088	-0.23646545	-0.07501761	-0.11491293	-0.97749597	0.600825	0.09275376	0.52349424	-0.13981588	0.725104
562	1	O=C(NC(c1ccccc1)C1CCCCN1)c1cccc(C(F)(F)F)c1Cl	-0.72276646	0.17756245	-0.2283488	-0.3673488	-0.26004642	-0.86768717	0.289338	-0.048198793	0.49650407	-0.253248	0.026551062	0.4269465	-0.38247934	0.04385833	0.119727544	-0.3543025	-0.19674534	-0.077710226	-0.48416814	-0.68562996	-0.50612557	-0.25256595	-0.17438248	-0.030539574	-0.17326522	0.5568117	0.4986847	0.36399844	0.3970871	0.14657755	0.3324383	-0.14819075	-0.061838716	0.46743363	0.14178921	0.4528619	0.7426514	0.53109574	0.99921095	-0.6060395	-0.68085676	0.14370202	0.29436046	0.0674009	-0.36123452	-0.14769566	0.5863321	-0.23188105	-0.064209424	0.18700689	0.10849508	0.18422915	0.34487712	-0.10919501	-0.6328409	0.4315275	-0.56617695	-0.7210759	-0.024468647	0.55201316	0.5472187	-0.24491568	0.49197516	-0.4105053	0.25439993	0.23859347	-0.6672188	0.20509422	0.4424334	-0.007406323	-0.9479935	-0.32108945	0.22368702	0.10914686	0.85614717	-0.6258281	-0.25186738	0.18079251	-0.16271226	-0.99849874	-0.7149204	0.22319639	-0.80529654	-0.3083389	0.2887322	-0.97147787	-0.06788023	0.5893785	-0.4674074	0.62313855	0.17599176	0.2364952	0.39826193	0.48722616	0.99057806	-0.030111406	0.6995728	-0.37872803	0.1856624	-0.3048164	0.16552286	0.15853934	-0.5557723	0.9799135	-0.99739194	0.29554772	0.2472538	0.21136059	-0.99954283	-0.35754317	-0.045722097	0.038952008	-0.4046039	-0.67502886	-0.1460448	0.5246143	0.16326153	0.6082496	0.94903535	0.16409186	0.122369505	0.002739867	-0.17019157	0.22334987	-0.22288074	0.42882934	-0.6425014	0.5031501	-0.2991289	0.9999599	0.19706225	0.789517	0.48562577	-0.22636078	0.08588736	-0.9881566	0.5534269	0.5655553	-0.6490691	0.5129017	-0.9999989	0.16002017	0.8887036	-0.43603358	-0.051374983	0.16772127	-0.049807288	0.15414034	-0.9652401	-0.3419658	-0.8616017	0.56616217	0.24576937	-0.52270883	-0.50821114	0.02231807	-0.57035786	-0.6312488	-0.6564874	0.95771444	-0.3273284	0.1275977	-0.61878484	-0.71503395	-0.35277903	0.4893727	-0.164294	0.006370063	0.49913993	0.5832718	0.04780219	0.017367985	0.058893885	0.7362904	0.13541773	-0.9460415	0.215345	0.42600027	0.04880365	0.4236327	-0.14183407	0.30337837	-0.14645736	-0.22924392	0.31392285	-0.54919666	0.48682737	0.14426196	-0.6463754	-0.26770788	-0.46981925	0.311987	0.29252517	0.26673096	0.120169826	-0.11415577	0.21673578	-0.63687235	0.9087014	0.05089419	0.15687473	-0.5842242	-0.7643212	0.34910008	-0.040540706	-0.20722738	0.51117086	-0.1737674	-0.35815462	-0.9999334	0.14137824	0.21302705	0.5887537	-0.066308275	-0.57822275	-0.1482747	-0.48825687	-0.21027881	-0.5301178	-0.27043375	-0.007736146	0.42652756	-0.7255178	-0.58546007	-0.8959161	0.2685229	0.3107403	-0.1519096	-0.31208476	0.14389968	-0.5127628	0.3428412	0.6671288	-0.16137955	0.39070448	0.08164587	-0.08713737	0.69970864	-0.29625595	0.03871031	0.8786659	-0.35716712	0.11381776	-0.252736	0.16668895	-0.21118537	-0.45335877	0.06642765	0.6791556	-0.60898846	-0.2832222	-0.7516132	-0.29751435	0.526221	0.45576212	0.12207499	-0.5852127	0.02690075	0.086706266	-0.4758552	-0.4328935	0.07179272	-0.34468314	-0.35971865	0.13402233	-0.3874401	0.2093027	0.119165055	-0.7851625	-0.106798925	-0.88267726	0.9721892	0.5496713	-0.30825633	0.43553275	0.72579926	-0.026687147	-0.10428917	0.19195269	-0.39110082	0.0655414	0.9927936	0.20010144	0.37625915	-0.25457546	-0.015031749	-0.03301112	0.5913162	-0.96069527	-0.68704873	-0.3324272	0.57539374	0.38004243	-0.40643325	-0.35762525	-0.40494096	0.9999995	-0.9979654	-0.46087387	0.57709026	0.000158878	-0.4066689	0.10206204	-0.30819204	-0.42759746	-0.6602149	-0.99131495	0.006519441	0.88798237	0.7342546	-0.40001547	-0.7830679	-0.17583875	0.7420171	0.85636544	-0.24335672	-0.2086154	-0.04217672	0.9432403	-0.45180598	-0.42099017	0.75379515	0.49769348	-0.76371765	-0.72962654	0.27841747	0.59200907	-0.9751025	-0.081207916	-0.28479204	-0.647414	0.55373687	0.033124845	-0.5525017	-0.7827726	0.917795	0.30110937	0.25282496	0.2694591	0.78636134	0.15092817	-0.28396177	-0.13820715	0.23572701	-0.16603333	0.45675758	-0.028651018	0.13946365	-0.74347395	-0.91804767	-0.8958058	-0.093067944	0.3661194	0.5191735	0.052327856	-0.5258634	0.48730057	0.9999491	-0.33408788	-0.3402876	-0.052124064	-0.6660953	0.16499975	-0.16365436	-0.9411166	-0.31492558	0.046530455	-0.46913677	-0.614814	-0.7103047	-0.5739605	0.42336383	-0.3206592	0.02625113	-0.54266715	-0.98715127	-0.4713661	0.32272705	0.27565914	0.36997822	0.5016768	-0.3050181	-0.2688429	-0.12189116	-0.10369334	-0.41770437	0.18256854	0.3113326	0.391885	-0.0498326	-0.5142909	0.4735466	-0.08518264	0.14092794	0.52004135	-0.17910619	-0.54386765	-0.57245874	0.110260606	-0.80889904	-0.08846948	0.29485208	0.21228491	0.038570862	-0.12258772	-0.66462696	-0.47369942	-0.8021317	0.7068227	-0.28648084	0.62173086	0.6660932	-0.25462046	0.2716612	0.043618117	0.46201473	0.94780934	0.28649968	-0.9927462	0.6763427	0.9995045	-0.6224218	-0.40588942	-0.9751721	0.025907641	-0.2827886	0.2957628	0.18668377	0.32942092	0.6793249	0.07186086	-0.8528993	0.30489972	0.5016805	-0.14872707	-0.13367358	0.29157698	-0.13593906	-0.99998105	0.9999991	0.4627447	-0.017965002	-0.81596106	-0.36661562	0.19154541	-0.7921279	-0.70214283	0.363738	0.019824527	0.22228591	-0.7937244	0.032284115	0.17408434	0.66500944	0.19214803	0.15938255	-0.29267412	0.93757874	-0.99952763	-0.11116912	-0.43628693	-0.6188992	-0.37077466	-0.4586828	-0.9832267	-0.5527109	0.41995963	0.5692761	-0.40722284	0.7358356	0.2902832	0.95077986	0.44390553	0.83231956	0.37051278	0.12106659	-0.35704488	-0.8849336	0.7293566	0.21406642	-0.087594695	-0.7657696	-0.19260743	0.55807364	0.31183153	-0.12056715	-0.16539834	-0.118686214	-0.19188848	-0.22347811	-0.39889535	0.39799985	-0.22555317	0.9989903	-0.27935582	0.25287738	-0.19906321	0.40384492	-0.4142959	0.99964255	0.50043976	-0.1176403	-0.24199961	0.49760532	-0.18223211	0.3292545	-0.9952464	0.10251775	0.5595214	0.20938176	0.38362324	0.44780225
563	1	COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O	0.9018287	0.094853684	0.6611008	-0.4444728	-0.18668015	-0.007766552	0.43031585	0.14847405	-0.39396912	-0.6104106	0.17422715	-0.20153254	0.50352424	0.64476186	0.23486233	0.42421266	-0.26984462	-0.47719648	-0.1642561	-0.7539098	0.30488312	0.71628064	0.2847828	0.17603678	0.1477579	-0.42652422	0.036024425	-0.110155284	-0.8463028	-0.27582827	0.44067276	-0.86068064	-0.33158886	-0.3439541	0.4223782	0.28404167	-0.6303554	0.2783223	0.99963385	0.7013372	0.373842	-0.3666347	0.54751027	0.2478676	-0.81289023	0.9985548	0.6678754	0.44553936	0.5882498	0.041759405	0.271564	-0.014065446	-0.59592915	-0.6510983	0.9238838	-0.065617956	0.5843602	-0.99683535	-0.7395369	0.15614253	-0.725075	-0.34239084	-0.7589954	0.14404093	-0.61710995	0.30784124	0.21386246	-0.41692048	-0.43768317	0.3908837	-0.9831152	-0.95001656	-0.4718883	-0.5987808	-0.45204285	-0.2340209	0.11621866	-0.16157286	0.56518453	-0.9999066	0.2358826	-0.35498825	-0.98733	-0.23531698	-0.41776666	-0.80810916	0.3269717	0.1557122	0.70530397	0.41054964	0.25353077	-0.30841738	-0.16645649	-0.33177072	0.9999728	0.33637065	-0.5779054	-0.00307129	-0.23853058	-0.085380405	0.7587989	-0.18922938	0.16665655	0.9105581	-0.9999529	-0.9601841	-0.29459158	-0.040822607	0.95689934	0.6108848	-0.3587474	0.6062147	0.29081142	-0.15770294	0.31130907	0.27105948	-0.42245305	-0.13727233	-0.945893	0.27147496	-0.3885794	-0.47358	-0.5670763	0.7485267	-0.18851992	-0.042008404	0.105980985	0.66268176	-0.37251034	0.99254906	-0.48047704	0.08511917	-0.16410315	-0.007646854	-0.36336342	-0.9867962	-0.62215126	-0.39972267	0.39335784	-0.8279312	-0.99999964	-0.28510976	-0.9612808	0.7084934	0.46216485	0.71835715	0.009013331	0.22503564	-0.9999894	-0.39014316	-0.09092895	-0.71872133	-0.7186888	-0.7834767	-0.16190237	0.57690096	0.6238792	-0.99985635	-0.8360037	-0.9731269	0.98267347	0.08728499	-0.23547558	0.6027274	-0.090807535	-0.6409559	0.16567416	0.18873984	0.46092534	-0.4362048	0.7038625	-0.08089956	-0.14212295	-0.5462292	-0.5945502	0.24717289	0.8320552	-0.10162578	-0.7586434	0.57262516	0.28540012	-0.9981885	0.018348401	-0.60940003	0.9815134	0.41972488	0.71440464	0.43315718	-0.20345666	0.29681605	-0.44355726	0.13174352	0.25288114	-0.39745176	-0.4014766	-0.44950932	-0.58934397	-0.9158643	-0.5038738	0.42076367	-0.3964205	0.14391354	-0.049943294	-0.23452714	0.14523977	0.57891923	0.037751053	-0.11497589	0.5239104	-0.9998798	-0.45761454	-0.44861144	-0.2623464	0.44710085	0.47809562	0.12704995	0.027967656	-0.15119065	0.28512692	0.2889203	0.3243571	0.7161784	0.23236021	0.27421325	-0.9731111	0.19844857	-0.5205131	-0.13040103	-0.4482432	-0.17497092	0.7203835	0.5857908	-0.2216611	0.7096987	-0.5000414	-0.23407456	0.20471755	0.052810013	-0.45187002	-0.7088207	0.91441095	0.8274345	-0.45500454	-0.20494339	-0.19402595	0.38591066	0.2634901	0.11188963	-0.4452947	-0.40114608	0.095951796	0.35644484	-0.5748851	0.17928614	-0.31105676	-0.19360892	0.09141931	0.08025356	-0.20911159	0.049992364	-0.34030718	0.23048976	-0.003045196	-0.3356756	0.5942868	0.34934267	-0.25389534	0.596229	0.8936878	-0.72763234	0.5135388	0.9996888	0.4268295	-0.22202262	0.07367728	-0.61217505	0.8074141	0.20369689	-0.82348686	0.4140722	0.41111112	-0.85671735	-0.41172493	-0.54967046	-0.5309313	-0.3960143	0.14281861	0.95397204	0.80431175	-0.51481646	0.42718375	-0.99791896	0.72543865	-0.29502127	-0.4061333	0.5320392	0.99999964	-0.59873235	0.7164056	-0.000663791	-0.61973614	0.79254806	0.14491045	0.1852757	0.003889844	0.10266903	-0.99996173	0.0999378	0.8621418	0.04647135	0.3587293	0.68883216	-0.074037984	0.28470042	-0.90461737	0.38572258	-0.1440483	0.012136188	-0.9996673	-0.35441345	-0.32613027	0.6068857	0.4844529	-0.688283	0.80143243	0.39932072	-0.6799311	-0.1132069	-0.51104677	0.7978561	-0.08688764	-0.56403387	-0.12165552	-0.7081369	0.13391496	-0.31631544	0.5728379	-0.36980188	0.032424763	-0.44759467	0.026141973	0.48546642	0.22477679	-0.328008	-0.037398428	-0.43020174	0.050863832	-0.17492847	0.7036423	-0.9989032	0.98833126	0.7400518	-0.35854706	0.41013443	-0.30900067	-0.37669864	0.17110981	0.99927104	-0.33548996	0.17088258	0.44671476	0.1050337	0.41176844	-0.6387408	-0.2871701	-0.5266517	0.05300337	0.28506657	-0.22591476	-0.37944537	0.73214644	-0.49385482	0.26564413	-0.92982686	-0.12961997	-1	-0.6739463	-0.5780398	0.36786258	0.4769272	0.8835207	-0.57152027	0.116956964	-0.020194165	0.2921928	0.13912047	0.630575	-0.60320777	0.06537782	-0.12254238	0.93447524	-0.45846197	-0.015803393	-0.04952868	0.6528327	0.56324327	-0.35257605	0.27663472	-0.6909716	0.6864181	0.999383	-0.21339613	-0.34877184	-0.48416454	0.4069689	0.2949626	0.27557203	-0.22685055	-0.3747837	-0.47297138	-0.53695387	0.18434192	-0.4893632	-0.25838947	-0.14480008	-0.71496326	0.99999833	0.19489342	-0.9878022	0.2760262	0.9969177	-0.261568	0.6976316	-0.9998364	-0.42221877	-0.98788005	-0.4727675	0.48813272	-0.6301865	-0.06613879	-0.49509546	0.41383314	-0.7233149	-0.2557446	-0.40857995	-0.4576274	0.10814888	0.21058992	-0.9385787	1	0.9948085	0.14012918	-0.85142595	0.06578308	0.60834765	0.68255436	-0.05071037	0.12197799	-0.045025576	0.003755672	0.045856837	-0.05540485	0.08712153	0.2887137	0.3256397	0.72305495	-0.73267037	0.9985908	-0.2092984	0.14534466	0.8354073	-0.10431559	0.10307842	-0.81461626	0.95180213	0.8828816	0.7852055	0.2895444	-0.21343191	-0.43059105	-0.7816591	0.9653718	0.34873456	0.7170003	0.17912224	0.5663718	-0.68082345	0.5358175	-0.67055154	-0.13553903	0.044389155	0.66810817	-0.96280915	-0.033048593	-0.6756835	-0.3535473	0.47023642	0.36943722	0.55959994	0.17440605	0.77953136	0.6454317	-0.21042487	0.9998054	0.5782301	0.17574257	-0.28171107	-0.15559754	-0.4736737	0.9997664	-0.10425143	-0.5018188	0.10106197	0.10157393	0.013687991	0.29681304	-0.9992556	-0.4588815	-0.088044114	0.11435413	0.5694831	0.54029584
564	0	C=CCc1ccc2c(c1)OCO2	-0.29786775	-0.22433004	0.11490113	-0.034541517	-0.14286147	0.00961106	0.030910399	-0.05113055	0.00410328	0.37789488	0.43748233	0.10783993	-0.07130652	-0.78032434	0.4862452	0.39768356	0.34675094	0.2879072	0.33177647	0.08123172	0.37979716	-0.661206	0.15094459	0.42530787	-0.12927684	0.3252637	-0.022812543	-0.1261589	-0.06699904	-0.11132267	0.014764459	0.080540486	0.5079943	0.31732014	-0.12436726	0.35643673	0.06780149	0.7765966	0.18022028	-0.9199709	-0.9986967	-0.23993437	0.26568514	-0.5512471	0.5927548	-0.99618894	-0.13771294	0.18533619	0.9513073	-0.09731627	0.19768877	0.18414836	0.3544076	-0.00996852	-0.8574175	-0.13381487	-0.2226342	0.9530792	0.17817356	-0.61070734	-0.43286318	-0.6815777	-0.33086145	0.21907438	0.0000650	0.07241753	-0.2709466	-0.49617034	0.36326888	-0.012994011	0.48614535	-0.99521595	0.34604988	0.31938666	0.047705814	0.04917602	0.31750962	-0.16588208	0.15167171	-0.9996688	0.041967373	0.3633355	-0.9566253	0.4435405	0.033038385	0.43339357	-0.3822579	-0.2473371	-0.054735653	-0.2616709	-0.13725173	-0.3825959	0.028135357	-0.22065146	0.7704264	0.0439003	0.74788594	-0.45498782	-0.21922587	0.052663624	0.23361015	-0.031166324	0.17656732	-0.027093252	0.9290379	-0.3440148	0.1046119	-0.07992561	0.9802772	0.40204516	0.5283068	-0.26520705	0.10586696	-0.30338526	-0.092719726	0.7722371	0.08561211	0.14747949	0.999463	0.3686139	0.548726	-0.38843623	0.16026509	-0.14089164	-0.19350742	0.52286893	0.23907705	0.035734814	-0.15180439	0.9959901	-0.35703155	-0.25334778	-0.17161347	-0.110004134	0.02341786	-0.9295922	0.19868213	0.6004523	0.41061342	0.052980933	-0.9984636	-0.3508126	0.9924633	0.30381823	0.72893673	0.2838049	0.2910616	-0.5134102	0.9939321	0.23712072	0.58359426	-0.81075114	-0.086112894	0.13102682	-0.13044932	0.043420598	0.24352425	0.999303	0.2167217	-0.8646723	-0.99586207	0.07977923	-0.3903902	0.41666043	0.533253	0.5315175	-0.3106444	0.41283673	0.18454084	0.15507236	-0.46746683	0.15861475	0.29653853	-0.464641	0.023698336	-0.9667096	-0.43695748	-0.5270116	-0.65094167	-0.54261357	-0.07397649	-0.047200054	0.37271833	0.10882188	-0.89342666	-0.102859125	0.444562	0.48105976	0.28387204	0.47411874	0.52781016	-0.000807363	-0.059558768	-0.022518674	-0.27969444	0.18707977	0.18574187	-0.83521485	0.09523184	-0.5963694	-0.22050895	0.17348222	-0.12057013	0.7068644	0.45859855	-0.41261792	0.5999064	-0.36071494	-0.02006185	-0.93812627	-0.46519142	0.14740239	0.23712431	-0.48351172	0.051169924	0.73066145	0.621101	0.38202712	0.07691211	0.78400403	0.30525118	-0.2792824	-0.25254852	-0.45125005	-0.9013596	-0.067121945	-0.51605195	-0.20071872	-0.038334213	-0.19767772	0.35523477	0.04744563	0.3739708	-0.3927506	-0.2395517	-0.47472784	-0.5520287	-0.14242886	0.44482678	-0.23476434	0.9368462	-0.022776045	0.17359076	-0.05399039	0.30940738	-0.057632957	0.25186825	0.34619755	-0.21421324	0.40368327	0.24473077	-0.9712514	-0.4606318	-0.027307909	0.41327876	0.069764875	-0.6493278	-0.29954618	-0.15850797	0.12330238	0.071574815	0.56715816	-0.7162757	0.008905414	0.5056413	0.25552815	0.3253194	0.4274961	0.06986724	0.38207176	-0.2864813	-0.061761137	0.22337072	-0.15596354	-0.20652083	-0.20514798	0.44426385	-0.037277523	-0.20651728	0.8122396	0.23853087	0.99976194	0.2775774	0.5342759	0.3169956	0.6525165	0.102252275	-0.19155686	0.9893985	0.15592897	0.18684396	0.9996397	0.03609382	0.7214443	0.09278626	0.030084671	0.99967587	-0.9315514	0.22415309	-0.5427121	-0.38535878	0.1406333	0.60903823	0.3557961	-0.095904715	-0.5774531	0.9953202	-0.23002733	-0.50612664	-0.011364229	-0.33678046	0.41581374	0.38051945	0.3436422	0.85212654	0.23799852	-0.52700377	0.03199446	-0.9999134	0.18695362	0.13938425	-0.40549517	0.059231058	-0.5302171	0.24771498	0.036057997	0.09512309	-0.67914486	0.5566401	-0.13959682	-0.3329614	-0.1669203	-0.2248805	-0.5413842	0.1783435	-0.39551327	0.22996508	0.3498853	0.4817099	-0.111234374	0.5247014	-0.12987626	0.05038531	0.6341382	-0.31428325	0.37159604	-0.52000034	-0.5443658	-0.058786165	0.9476054	-0.99739426	0.3374749	-0.435024	0.54817086	-0.16096893	-0.45277664	0.38274416	0.9969687	-0.31975493	-0.16466737	-0.002951224	0.2470697	0.16498768	-0.42901278	-0.510297	-0.14692952	-0.561504	-0.502124	-0.075280674	0.23473245	0.12575977	-0.59943444	-0.14148937	0.923349	0.33551744	0.9994064	-0.079054676	-0.10386092	0.0650528	-0.14711706	-0.91501355	-0.023452718	0.09263998	-0.32001254	0.0879815	-0.009730956	-0.5551139	-0.2814454	0.20358959	0.3725901	0.13105892	-0.27964923	-0.35132307	-0.5795603	0.12789425	0.047653504	0.26650167	0.32808158	0.6888748	0.01929115	-0.87933314	0.1294605	-0.038886763	0.19897267	-0.012155768	-0.5723078	-0.35285595	-0.43310392	0.54885	0.20767033	0.13524842	0.6497059	0.59521115	-0.75522214	0.0411668	-0.18672283	0.9999998	0.16443837	-0.91409177	-0.6130952	0.9994312	-0.5285772	0.36483327	-0.9998763	0.22365366	-0.2113975	0.29325664	0.1497178	-0.20084552	0.056229074	-0.1365712	0.7630992	0.23045641	0.03650933	0.2453802	0.47707078	-0.1617275	-0.3895973	-0.9999655	0.99037385	-0.989371	-0.2704106	-0.4104526	0.72503006	0.4432524	-0.10728498	-0.65995616	-0.018422706	0.2928009	-0.3620577	-0.7040863	-0.48069853	-0.3383042	-0.47136626	0.12684487	0.00824131	-0.47657755	-0.98860735	-0.99995494	-0.56745756	-0.6236596	0.26230508	0.36397108	-0.50343245	-0.9789453	0.14208432	-0.08149147	-0.042879976	-0.0850433	-0.33318344	-0.4426879	0.96061987	0.09966846	0.84262866	-0.09185248	0.0675561	0.492633	-0.6272518	-0.098122016	-0.46189564	-0.47817314	0.46092188	0.4731018	0.3850932	-0.5006216	-0.52201194	-0.24424572	-0.64801234	0.3965012	0.16940852	-0.51848066	-0.12123704	0.5885914	-0.8185896	-0.13930531	0.055374835	-0.4061633	0.07740117	0.37132773	0.9995165	-0.10887699	0.09544756	-0.055664875	-0.16095205	0.10836627	0.14411108	0.27779287	0.20715964	0.25527042	-0.27123588	0.35728675	0.35807985
565	0	CCNc1nc(Cl)nc(NCC)n1	0.21017459	0.4518436	-0.119211905	0.13033032	-0.26487532	0.43927726	-0.6430293	-0.0537906	-0.5553109	-0.1875106	-0.5354315	-0.430737	0.15965925	0.067941554	0.37749216	-0.36526525	-0.46697047	0.675378	0.000907553	0.01299434	0.45834163	-0.43643367	0.5131106	0.5920169	-0.19535802	0.5955038	0.006971324	0.2337553	-0.3175413	0.1559829	-0.2595758	0.60081416	-0.41164926	-0.32053265	-0.28691226	-0.26343668	-0.1660596	-0.639547	0.36410004	-0.89021456	-0.9421892	0.2619687	0.11640569	0.17078614	0.3215918	-0.993018	0.46356407	0.15517619	0.0622159	0.5321453	0.03795512	-0.003690204	-0.17667809	-0.53082	-0.77632153	-0.13588768	-0.4103421	0.9178026	-0.21759002	0.097532734	-0.08848665	-0.08399691	-0.08394135	-0.19640747	0.1449575	0.49513254	0.00368602	-0.02134797	0.16778979	-0.13682064	-0.95492095	-0.99768186	0.65185845	-0.49587986	0.26773533	-0.04557632	-0.25416052	-0.031316496	-0.46387842	-0.9977929	-0.5160743	0.24311528	-0.82118237	-0.04775899	0.6966678	0.59657526	0.5569952	0.6446313	0.22979105	-0.27378654	0.5464641	-0.026082098	0.30601487	-0.036488134	0.9929091	-0.29270506	-0.643687	-0.32598275	0.4600248	0.03471439	-0.04977419	-0.19347203	0.13108288	-0.6260074	0.82710016	-0.9821097	0.31802252	-0.21219237	-0.9887081	-0.21532668	0.31425998	-0.048707783	-0.60801613	-0.03579145	0.42135477	-0.13186516	0.05974848	0.22578251	0.9993762	0.65691596	0.009807819	-0.5257039	0.7410388	0.5487551	-0.05806025	-0.34361595	-0.3610753	-0.20087159	-0.7096728	0.9712008	-0.8783458	0.28100717	0.20986938	-0.2305615	0.6211351	-0.81249255	-0.6105581	0.10874069	-0.368367	0.43876216	-0.99681216	0.3047888	0.9163366	-0.056465473	-0.27590308	0.16232908	-0.16053708	-0.16967405	0.9858035	-0.033944275	0.24827431	0.23711213	-0.4112094	-0.12218981	-0.59188944	-0.2566172	0.32523784	0.99805397	-0.4434548	0.8831278	-0.9911146	-0.2640844	-0.47462904	0.05726334	-0.5286173	0.15014972	-0.021301813	-0.473271	-0.5686045	-0.30091867	-0.46893886	0.37994808	0.5853405	-0.6728426	-0.32054067	0.642718	-0.65534776	0.5636502	-0.8316613	0.6489964	0.41707104	-0.8099019	0.05014471	0.047760747	-0.7139567	-0.007720907	0.5801101	0.6176404	0.07343192	0.22604553	0.9877601	0.85658336	0.60888493	0.26790842	0.52384263	0.31300405	0.31606737	-0.74498546	-0.21385495	0.6744616	0.3012957	0.32703045	0.29880714	-0.5352164	-0.5440926	0.34712163	0.12140233	-0.35897326	0.8263698	-0.9715781	0.059656724	-0.1255598	-0.120149486	0.30568108	0.61627865	-0.72783536	-0.3527727	-0.52097803	0.51996756	0.64708346	0.3375943	-0.6821487	0.68014723	0.45510843	-0.97594416	0.22221473	-0.005266072	0.694806	0.05953104	0.06623387	-0.35969234	0.12342294	-0.590238	-0.37448904	0.4809315	-0.41502067	-0.40859795	-0.27174535	0.27859998	0.6261558	0.9578756	0.45773956	-0.4122765	0.11874668	-0.041855093	-0.4041311	0.4948344	0.23424199	-0.72992796	0.0998099	-0.841761	-0.99864984	-0.080212936	-0.3777858	-0.11606369	0.03404537	-0.09766482	0.29102793	-0.2455317	-0.7071047	-0.31478634	-0.22659527	-0.3407605	-0.6095495	-0.110778846	-0.19338496	-0.59897333	0.30613253	-0.95555174	0.41247854	0.29432863	0.78058654	-0.6441255	-0.0860077	0.46129268	-0.87978655	0.74970543	0.8496922	0.58582145	0.763111	0.005581177	0.9991759	0.4418466	-0.098253824	0.61022764	0.15306197	0.13285562	-0.95020634	-0.9013557	-0.027790144	0.8039737	0.999345	-0.5383038	0.9321323	0.66327673	0.038926266	0.99800277	-0.46843624	0.5705405	0.18476121	0.50597286	0.59516484	-0.38607913	-0.14011215	0.9399988	0.93992615	0.99050677	0.59111005	-0.3614245	0.21655174	0.17282492	0.27516064	0.3084621	0.00547636	0.7357213	0.10739496	0.00529196	-0.17405216	0.83135134	0.2492609	-0.42791402	0.010548543	0.74535143	-0.6499125	-0.3230319	-0.62279266	0.69295514	-0.22766683	-0.019612819	0.15834862	0.4598502	-0.358305	-0.15742585	-0.503698	0.026086943	-0.7924819	0.43945715	-0.5144577	-0.36142096	0.17128679	0.341976	-0.2574803	-0.24375246	0.40466604	0.31097603	-0.46452624	0.6092328	0.33448806	0.28369573	0.9020304	-0.9907087	-0.40735218	0.56605643	-0.496435	0.10599623	0.3180752	0.06569955	0.9972933	-0.22430894	0.32989043	0.18580317	-0.5765847	-0.266396	0.046970185	0.42366076	-0.43398893	0.2826915	0.4434804	-0.60523266	0.20482127	-0.16095082	-0.102416396	0.54689276	0.04007418	0.25964886	1	0.7881001	-0.21795811	-0.15829852	-0.1058975	-0.51603323	0.20572168	-0.13455679	0.54657274	0.017151956	0.03623054	-0.8462036	-0.41000158	-0.22385293	0.78071785	0.13689049	0.06504021	-0.16772391	0.23019543	0.12111468	-0.5170603	0.50160766	-0.090501964	0.5479375	0.47532082	0.09705576	0.35777187	-0.15067567	0.1920469	0.2124709	-0.21228097	0.5826733	0.5026773	0.3381412	0.05535788	0.7022938	0.57665074	-0.16346222	0.6259424	0.69480693	-0.13781185	0.98157305	0.58755213	-0.93586165	0.14694062	0.99668044	0.04824324	-0.53989786	-0.9841187	-0.021411598	0.24212481	0.5544919	-0.032208737	0.22920036	0.6368699	-0.09742177	0.7389266	0.04898787	0.554067	-0.737066	-0.3022715	0.60541385	0.63533556	-0.99989635	-0.9983373	-0.9960387	0.69014835	0.4959306	-0.13210855	0.1372145	0.13080835	-0.76725495	0.14032818	0.4814042	-0.29530618	0.50656044	-0.12269982	0.3635518	-0.54371804	0.6431517	0.054464404	-0.10832044	-0.97982645	-0.9998687	-0.19909486	0.33808535	0.03310187	0.32421976	-0.42065483	-0.5747824	0.5466021	0.7078271	-0.36739275	0.22799684	-0.17335911	-0.5592112	0.89400953	0.21197161	0.43419057	-0.13123201	0.19257928	-0.4661845	-0.5202535	-0.13246162	0.011626055	-0.756741	0.7169351	0.2838222	-0.5568374	-0.12652151	0.3253162	-0.58076316	0.3243269	-0.5086014	0.61918074	0.17436476	-0.69213504	-0.09763142	-0.6343179	-0.24401869	-0.4265817	-0.31022263	0.1791026	-0.19672489	0.9999534	0.22496288	-0.52336705	0.2762544	0.5906601	0.41715595	0.1463909	-0.42343986	0.40357032	-0.9669497	-0.53885096	-0.6246226	-0.1942196
566	1	CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21	0.66487396	-0.74512494	-0.2163741	0.2901117	0.537671	0.6913622	0.35978872	0.7845046	0.57725704	-0.2959639	-0.18746032	0.3352134	-0.24117242	0.39925987	-0.3161313	-0.6578546	0.16754377	-0.3678735	-0.015258892	-0.22704132	0.000464715	-0.29344022	0.609522	-0.1693721	-0.57952845	0.44293076	-0.29880103	-0.6395893	0.30813265	0.62569976	0.09315782	-0.00213873	0.79818475	-0.39771515	0.45862553	0.42212602	0.5177841	0.04495686	0.9996793	0.41685727	0.8553154	-0.4597205	-0.3995476	0.37016532	-0.39561337	0.9264947	0.6365473	-0.38893855	0.97800636	-0.43049434	0.59595215	0.43559763	-0.6140522	0.49524316	-0.38934898	0.05228142	0.597698	-0.92226654	-0.092333205	0.5950688	-0.10958518	-0.22245888	-0.20248845	-0.03287052	0.6341264	-0.3091601	-0.34775656	-0.31787208	0.49314842	0.30446178	-0.54082793	-0.19309802	-0.8785468	0.85124516	0.014788868	0.8303398	-0.11545519	-0.068499625	0.067389324	-0.99852455	-0.19073574	0.4948428	-0.77915114	-0.44515187	0.07783396	-0.9180416	0.17949082	-0.7879123	-0.43205467	0.042222228	-0.20693024	0.25855312	0.5331114	-0.27072802	0.99815935	-0.4483418	0.66496843	0.6681898	0.16896564	-0.23400304	0.3648121	0.59466654	-0.36453226	0.911788	-0.9998923	-0.14811106	0.5439557	0.3707768	-0.810349	-0.50633216	-0.5210647	-0.22969131	0.38798642	-0.609328	-0.12985332	0.507687	0.34136567	-0.07724072	0.36183366	-0.15096234	-0.04931999	-0.116570644	-0.26936647	0.4960687	0.21579523	-0.33993042	0.43862137	-0.58810145	0.16482723	0.999643	-0.38878694	-0.38210088	-0.5065636	0.746498	-0.06302978	-0.97706777	0.11397081	-0.013784186	0.300065	-0.37851804	-0.99998015	0.2782743	-0.11585429	0.21714438	-0.41252887	-0.52102834	-0.02625185	0.36315316	-0.9997372	-0.1796353	0.13076064	-0.9338261	0.79764384	0.38516694	-0.51033825	0.070492126	-0.44783664	-0.9948087	-0.7640927	-0.6341991	0.49182466	-0.60257155	-0.8217998	-0.20694262	-0.06513867	-0.4700012	0.27099738	-0.8600263	0.15502553	0.0592315	-0.43957007	-0.6519983	0.24905163	-0.17805232	-0.08896178	-0.87546796	0.56818	0.041819785	-0.12426545	0.35921422	0.3421878	-0.9584884	0.12723824	0.47442326	0.96985954	-0.30724537	-0.13402356	0.28917682	0.27879715	0.56715816	-0.8893345	-0.65679795	-0.27149865	-0.31483573	0.001757832	-0.793195	0.035220765	-0.7121988	-0.07076126	-0.6258851	0.41219267	0.11791413	0.84105814	-0.7461414	0.37031516	-0.45869163	0.06654855	-0.40980637	-0.3762334	-0.99994826	0.6477114	0.13436958	0.52286106	-0.036471758	0.29721177	0.531246	0.14461993	0.70460284	-0.3732187	-0.19692738	0.22454107	0.21672267	-0.5542815	-0.347608	0.883715	0.37560552	-0.20538577	-0.6132493	0.4859733	0.41684487	0.44654283	0.24330328	-0.16735347	0.2502091	0.15080328	-0.10141117	0.6357154	-0.55586463	-0.4652847	-0.43235824	0.92206985	0.9261381	0.47317114	0.38496134	-0.93633676	-0.12541202	-0.24752629	0.40692934	0.00311132	0.27907944	-0.38548985	-0.82951146	0.1825815	0.8141853	-0.5401075	0.022134414	-0.17917511	0.05571153	0.37362507	0.64342105	-0.2563678	-0.46783957	-0.69496834	-0.2356357	0.1592552	-0.48355517	-0.34677982	0.8439896	0.46976995	0.31525037	-0.66427374	0.9999623	0.4734125	0.14288165	-0.25355023	-0.6548252	0.66672957	-0.6703716	0.20370989	-0.2409525	0.79990476	0.81487006	0.67355144	0.4527603	-0.18679991	0.5070052	0.06501203	0.9106819	-0.83054495	0.19236007	-0.07196929	-0.808652	-0.2592753	0.21472524	0.001159087	0.85433	0.9999962	-0.9922205	0.60768366	0.27751336	-0.47388622	0.25996426	0.24627453	-0.3059136	-0.6999684	-0.92775446	-0.9996641	0.24881974	0.006594442	0.52803874	0.15790868	-0.13409732	0.18672715	-0.21422702	-0.2129326	0.18300529	-0.4306161	0.43672764	-0.9258889	0.4529896	0.44348392	-0.08032734	0.8494113	-0.6228743	0.08863934	0.7524769	-0.34996393	-0.6770557	-0.45322898	0.17842741	0.07711624	-0.546286	0.50810033	-0.08553832	-0.6363393	0.8329618	0.69280636	0.01242628	-0.13581271	0.09031302	-0.19743305	-0.1703135	0.84889996	-0.3306823	-0.5491529	0.63609755	0.20589802	0.3279755	0.032597713	-0.9865501	0.33347207	0.35656506	0.4393012	-0.57288694	-0.05526228	0.18903036	0.51523	0.99966425	-0.12542094	0.42310718	0.47569388	0.3945214	-0.4350049	0.39462617	-0.8551193	-0.5228107	0.5102349	0.8272296	-0.05810751	0.6607821	0.38286626	0.6257408	-0.2045032	-0.8228924	0.76428145	-0.9403314	0.6238194	-0.4219353	0.07558306	-0.012501538	0.06944244	0.02970681	0.29800555	-0.47690302	0.4280306	-0.101801135	0.057422537	-0.25030667	0.5073024	-0.76628256	0.101918064	0.5595929	-0.46181628	0.26690271	0.25942847	-0.83068466	-0.71132815	-0.49043787	-0.43183988	0.13774794	0.92339516	0.3114096	-0.5401126	0.22543323	-0.27239034	0.31415084	0.31699648	-0.5119074	-0.8232204	0.010011953	-0.54423916	-0.4904142	0.18619668	0.2105356	-0.032953616	-0.41177288	0.9993073	-0.2710661	-0.9611713	-0.48886925	0.99799407	0.21502478	0.53783923	-0.99862415	-0.05189243	-0.81147647	-0.64466995	-0.53127515	-0.32762694	-0.2765572	0.78783137	-0.8589147	0.6755325	-0.79766333	0.39875153	-0.48513058	0.34033015	0.90294313	-0.9989153	0.9999843	0.912746	-0.65516055	0.030347547	0.5912546	-0.23694281	0.3099954	0.9410569	-0.000582261	-0.3050683	-0.11208013	-0.31487417	-0.5197495	0.3110632	0.46627027	-0.27224657	-0.028408177	0.41054606	0.99204034	-0.9904833	-0.15593591	-0.035560664	-0.5474644	0.20562892	-0.2804927	-0.38100484	0.6899048	0.2711921	-0.21509537	0.0834443	0.6749905	0.34989694	0.089199595	0.32527038	0.07002289	0.21919568	0.1426913	-0.16546859	0.54408085	-0.2989313	-0.14364198	0.14877692	0.002807466	-0.99981475	-0.038011957	0.00499231	-0.18985787	-0.22077383	-0.3518149	-0.51880664	-0.8666961	-0.43128625	-0.7065267	-0.6330387	0.99985355	0.6910119	-0.7177889	0.06418344	0.1199094	-0.50174445	0.99995303	-0.09184149	0.13123475	-0.32876638	0.7459042	-0.6463373	-0.632745	-0.9998513	0.17519788	0.80109143	-0.011456343	0.6832265	-0.8238562
567	0	O=[N+]([O-])c1ccc([O-])cc1	-0.6136677	-0.5455619	-0.4806616	0.30409873	-0.44235003	0.046597995	-0.28855118	0.14645857	0.5352658	0.4625443	-0.05313338	-0.13881613	-0.2782243	-0.45140892	0.34385005	0.16635855	-0.20652539	0.40683	0.24369994	0.13427898	0.6266024	-0.8409196	0.12793553	0.06931405	0.060846325	0.19343361	0.43754655	0.4526298	-0.16254275	-0.73581165	0.0316607	0.46621212	-0.107956104	0.57361776	0.45657015	-0.0572004	0.03998759	0.82746905	-0.396247	-0.758965	-0.99874836	-0.19132118	0.04814844	-0.30179656	-0.030047897	-0.9980571	0.70497495	-0.1908513	0.9982418	-0.42894056	0.24961765	0.07803053	0.07215668	-0.06509666	-0.93632174	-0.33289874	-0.7190213	0.9518365	0.07786649	0.45996803	-0.36801246	-0.7067854	-0.30149212	-0.8149772	-0.51050943	0.6442971	0.43080068	0.049236353	-0.40821055	-0.04279241	0.6450119	-0.9991307	0.78328264	-0.10195596	-0.38249877	0.69061273	0.016198466	0.18605447	0.32537997	-0.9995491	0.50637984	-0.5304427	-0.9111828	-0.54230654	0.07898486	0.8998628	0.09299067	-0.7091689	-0.80253977	-0.16658711	-0.004146995	-0.26472512	-0.59121907	0.31599104	0.94373405	0.32897726	-0.5885226	-0.4137119	-0.011028176	-0.48501396	0.60413826	-0.63766813	0.13995811	-0.43106923	0.96853495	-0.36161166	-0.088453606	0.685504	0.9966765	-0.001904183	-0.18805349	-0.3156975	-0.45774385	-0.34462848	0.10384238	-0.16150919	0.52574897	-0.008643579	0.99987525	-0.54178596	-0.29373622	0.13084938	-0.6212209	-0.31222323	-0.20699927	-0.2910481	-0.062032823	-0.5007063	0.17015828	0.9730647	-0.069965705	0.47087014	0.21451065	0.111583225	-0.50972736	-0.8440846	0.12126421	-0.44627786	-0.5282511	-0.37680364	-0.99791145	0.03029592	0.8733762	0.35704243	0.5640182	-0.5425449	0.30944943	-0.35670307	0.9982459	-0.010377573	0.053158928	-0.22566475	-0.6428653	0.12999934	-0.3807234	-0.23851693	0.22418259	0.9997441	0.29355648	-0.9369633	-0.9970971	0.28788146	-0.003860584	0.12431354	-0.04515613	-0.25049797	-0.4201774	0.5828405	-0.79042107	0.28573668	-0.45421126	-0.18859512	0.3103456	-0.19871132	0.4738185	-0.9243071	-0.7417992	0.17623368	0.31657386	-0.080138035	0.36137733	-0.9937598	-0.28509572	0.20153178	-0.8959852	-0.049499616	0.5497771	0.58967626	-0.32056874	0.24198167	0.69375956	0.44577256	0.254913	-0.32311958	-0.13727313	-0.31625676	0.11948811	0.86834323	0.15296939	-0.42945924	-0.82024467	-0.17384304	-0.5029517	0.017816149	-0.3004488	-0.77054703	0.03940414	0.43746358	0.045100898	-0.5256797	0.2873479	-0.20294191	-0.10149604	0.081340045	0.27544516	0.647952	0.50660187	-0.46802908	0.11454899	-0.024147341	-0.11855649	0.23735677	0.39420223	0.40552714	-0.9062324	0.26685816	-0.15440129	0.44946572	0.25122094	-0.15271318	-0.34811026	-0.20261751	0.019969884	0.05813321	-0.57259595	-0.004736693	-0.36597517	-0.16976	0.39988044	0.19903721	-0.78530926	0.051255707	0.11572756	0.09870346	0.49379683	0.2514455	-0.124099486	-0.029463619	-0.05368085	-0.516877	-0.14795579	-0.9982285	-0.24579103	0.14783604	0.05226727	0.06635909	0.17364633	0.10885137	0.59819746	0.09883514	-0.2573213	0.49639058	0.37883073	0.028467746	0.4490253	0.05947174	0.11392645	0.71282274	0.91331136	0.21179113	0.12460608	-0.295651	0.8598203	0.24158794	-0.41977093	0.9531337	-0.073507786	-0.3554104	-0.34258762	-0.11518449	0.011993966	0.9998244	-0.4980586	0.73020685	0.25720066	0.54198945	-0.3684736	-0.11049675	0.945171	0.08365788	0.29854304	0.99988514	0.43501425	0.6518405	0.32099536	0.53518593	0.998453	-0.30123138	-0.41031745	0.0661676	-0.033635385	0.73129135	-0.49201462	0.2738709	0.20299223	-0.20415682	0.9991273	0.28464895	-0.5182493	0.11835046	-0.121167794	0.14180419	-0.12538555	-0.17047036	-0.83332705	0.45905855	0.58394104	0.4444193	-0.9999965	0.05726589	-0.002865955	0.1178916	0.46730682	-0.4748872	0.08773459	-0.06238403	0.26767442	-0.7357943	-0.74046385	-0.24603839	-0.035968833	0.038478024	-0.5721492	-0.5578751	0.040667873	-0.8991521	-0.39139345	-0.104272224	-0.5809778	-0.006046793	0.48341388	0.23696747	-0.5414903	0.45410535	0.61929274	0.21237975	0.28727078	-0.2941437	-0.55349827	0.9605519	-0.99708766	0.4153554	-0.2718584	-0.53652215	-0.20456651	-0.5090567	0.003516783	0.9952181	-0.49722508	0.45582023	-0.068644784	0.64360607	0.16620937	-0.15856959	0.1871279	-0.1170612	-0.1299947	-0.71103454	-0.074743256	0.7036433	0.05515405	0.30702847	0.30250415	0.9498396	0.6053881	1	-0.000611721	-0.5674833	-0.13225588	-0.20524123	-0.92587346	-0.5330946	-0.17889349	-0.85731524	0.490305	-0.3520017	0.314675	-0.788752	-0.06921966	0.78174376	-0.49158612	-0.17060244	0.20428853	0.63137877	-0.55394596	-0.34982356	0.5373092	0.80285734	0.7954747	0.7382216	-0.004391433	0.2295024	0.07707865	-0.3882164	0.14815143	0.37193623	-0.41616184	0.9985532	-0.37507832	0.18989815	0.6563678	0.0384902	-0.41022393	0.5084597	0.6033962	-0.4099133	1	0.5173595	-0.99728864	0.07674376	0.9950469	-0.70286006	0.11271051	-0.9999056	-0.4571879	0.6500555	0.5454436	0.18158126	-0.87476295	0.034089483	-0.468811	0.899092	-0.08071667	-0.67133594	0.6205418	-0.061947506	-0.037216716	0.5147628	-0.9999924	-0.9996999	-0.9976767	0.6341059	-0.5604322	0.38014355	-0.25385037	0.6807559	-0.734185	-0.45003164	-0.08650533	-0.49853954	-0.818533	0.25172013	0.4541988	-0.16939865	0.48573488	-0.12445584	-0.010628816	-0.9967785	-0.99998736	-0.20334116	0.39488494	-0.24503236	-0.5728953	0.2730653	-0.43266088	0.4989484	-0.52670586	-0.46861097	-0.24946563	0.19279733	-0.31999657	0.93468094	-0.03879262	0.88705194	0.17244357	0.5199588	0.21020111	0.37268466	-0.358107	-0.3548394	0.21103992	0.65965855	-0.30041692	-0.55434555	-0.4967296	-0.113208786	-0.06065891	-0.19188239	0.12750618	0.5247112	-0.008555261	-0.51303256	0.26463783	-0.9573516	0.13899271	-0.3747654	-0.8312395	0.31148583	-0.32625064	0.9984281	0.30573046	-0.22541922	-0.4825903	-0.017684584	-0.7332417	-0.44831318	0.85716075	-0.6142574	-0.44123104	-0.80137664	0.70701224	-0.065721795
568	1	O=C1OC(C(O)CO)C([O-])=C1O	0.18548217	-0.49529845	-0.5993568	0.11100814	-0.2560437	0.24950366	0.19397247	0.114019625	0.29286692	0.08894914	0.5525438	0.13558255	-0.40768403	-0.051749326	0.70435923	0.7802925	-0.06025698	-0.3603978	0.66632634	-0.31008053	0.22748955	-0.735716	0.19594891	-0.42395955	0.34792113	-0.42994317	0.11469855	0.26031676	0.09977613	-0.10475202	-0.4056606	0.22808684	-0.4974386	0.7724977	0.51805294	-0.79993325	0.22486652	0.48261324	0.70744205	-0.22219904	-0.68189394	-0.3091297	0.3555554	0.26487073	0.11465091	-0.99275565	0.08221681	-0.38792923	0.8353311	0.22186363	-0.29357696	0.46378422	0.3986624	0.37115917	-0.20757009	0.1628041	-0.51535165	0.8192786	-0.13721748	0.12953435	0.24605505	-0.40535086	-0.8688058	-0.04464427	-0.4406138	-0.16026732	-0.31494412	-0.757278	-0.001341323	-0.5695501	-0.5815532	-0.99998957	0.63847524	0.8459991	-0.3779398	0.5880023	-0.584748	0.76688975	0.15063515	-0.9989564	-0.803595	0.149914	-0.8911139	-0.3570762	-0.43315923	0.99367326	-0.10251654	-0.70883864	-0.20830396	0.057864886	-0.43244374	-0.11760175	-0.50731754	0.4617318	0.9990336	0.06107505	-0.9669435	-0.3913738	-0.2188853	-0.578348	-0.4118312	-0.21560413	-0.4091615	-0.23325454	0.666633	-0.66938853	0.50401974	0.780761	-0.99996495	0.15404949	-0.20353597	-0.200471	-0.3488618	-0.398463	0.18740681	0.049007464	-0.2294515	-0.02255304	0.9997896	-0.63895553	-0.09777674	0.29542407	-0.10740762	0.15632361	0.1551374	-0.065801784	-0.1461682	0.26754415	0.41859758	-0.31872264	-0.0340752	-0.12858231	-0.7141318	0.517666	-0.26901206	0.91902757	0.24046417	-0.65591764	-0.4175679	-0.37896073	-0.99981517	0.28502735	0.49613187	-0.05099114	0.5798333	-0.61958015	0.56048733	-0.5077056	0.9519548	-0.45893753	0.10609291	-0.39698863	-0.08616915	-0.51870793	0.3016457	-0.22678454	0.61707264	0.9977585	-0.27992204	-0.17603688	-0.99464345	0.31976476	0.23740382	-0.35674533	0.4766516	0.20806937	-0.5042549	0.34716782	-0.38632995	0.5306904	-0.29155207	0.1438443	0.41747212	-0.29933977	0.41992784	-0.46118242	-0.10843893	0.22130574	0.096460685	-0.102812536	-0.3031385	-0.9990193	-0.5298017	-0.6267709	0.60249627	-0.06561811	0.14701878	0.3591147	-0.5479317	-0.10063711	0.93161625	-0.11596834	-0.101956576	0.031977642	-0.328941	-0.7716543	-0.4808898	0.9224749	-0.651495	-0.29506138	-0.8111303	-0.14401354	-0.65055174	-0.23613746	-0.1871959	-0.45956448	0.41515538	0.90005815	0.3012369	-0.98913145	-0.7149934	0.15580979	0.63675046	-0.19393042	0.1944427	-0.09966577	0.14864142	-0.22116922	-0.3847378	-0.38759783	-0.24905482	0.56990546	0.8283157	0.37567747	0.9999995	-0.63352287	-0.7413339	-0.29103324	0.18470013	-0.07476738	-0.31968158	-0.54768205	0.52808416	0.41951865	-0.6888454	0.047969144	-0.2458035	0.35352275	-0.1697883	0.071869075	-0.7909128	0.43413657	-0.387926	0.44216558	-0.6193953	0.3628083	0.20005564	-0.43273425	0.7441684	-0.5732299	-0.32768005	-0.9977768	-0.42632002	-0.27070576	0.23854679	0.037964404	0.6522084	0.15278627	-0.05039001	0.27450168	0.5584863	0.77938163	0.50274116	-0.6336416	-0.036789596	-0.27255282	-0.116627514	0.85067505	-0.7746618	0.55116886	-0.2314254	0.99465257	0.6671368	-0.77463603	-0.55396533	0.8765562	-0.39241475	0.6547868	0.72124314	-0.18090232	-0.4144788	0.99925184	-0.2780005	-0.1476025	-0.57484806	-0.07854399	-0.17500193	-0.9901829	-0.9943043	-0.3336068	-0.32314506	0.99956113	-0.07676246	0.535337	0.048705947	-0.46780202	0.99935544	0.92386824	-0.6522125	-0.44213572	0.15871249	0.4246448	0.40994313	0.20499483	-0.5999958	0.5619209	0.98684853	0.009956976	-0.53600246	0.19634514	0.20463212	-0.0171314	0.28949788	-0.07126901	-0.9282157	0.07565206	0.24726072	0.26030254	0.99915946	0.107653044	-0.38335657	-0.5367641	0.034872606	0.42111227	0.5161485	-0.07404537	-0.9212755	0.88474345	-0.30369797	-0.43036765	0.09077203	0.21927628	-0.83216906	0.6700383	-0.30443743	-0.9984722	-0.46681514	-0.116707094	-0.5421585	-0.4729404	0.15574004	0.09380531	0.025936155	0.08086339	0.17900002	0.019177377	-0.52191097	0.14762782	-0.44933063	0.89703155	-0.97440606	0.14470904	0.8359183	0.003636336	-0.25239524	0.058703385	-0.42781183	0.99969476	0.096829	0.99469197	-0.731051	0.6770801	0.24919175	-0.121573694	0.8796943	-0.36989418	-0.041200493	0.8110181	0.20963323	-0.24127902	0.3822714	0.3341307	0.013499946	0.43515927	0.006814203	1	0.11773454	0.08997353	0.035771757	0.12107317	-0.8802735	-0.026161183	-0.3708903	-0.4435311	-0.15530838	-0.36405486	-0.10777048	-0.3589034	-0.54890853	-0.14586182	-0.2773589	0.013868295	-0.351371	0.19026555	-0.6567859	-0.68477654	0.68158513	0.92559195	0.71946144	0.9032045	0.9264582	0.007494992	0.21413818	0.104304105	0.12217074	0.16335776	-0.15048066	0.72031355	-0.12630786	-0.41362908	-0.64417166	-0.006666055	0.20927829	-0.2479027	0.376493	-0.05916225	-0.8579817	0.1856969	-0.9979985	0.54317635	0.9993699	-0.7467567	0.37193635	-0.48936012	-0.17546919	0.27945992	0.09960166	-0.5801532	-0.44931498	-0.3886948	-0.03211389	0.9734475	0.79422534	-0.6781668	0.40315664	-0.25755915	0.43740293	0.3784327	-0.9999755	-0.9980036	-0.9957142	-0.012983419	-0.29755038	0.9413006	-0.020156266	0.5576243	-0.54409724	0.009596597	-0.07672397	0.12964419	0.08660347	0.3182818	-0.21267311	0.29542655	0.49618223	0.09565735	0.060621288	-0.99046105	-0.9999523	-0.22894652	0.12471753	-0.099257156	-0.3211016	0.089121	0.96007663	0.58948237	-0.823829	0.33947006	0.1978757	-0.565782	-0.10946975	0.39101532	0.33354467	0.49705318	-0.35073075	0.86222035	-0.28794202	-0.4167497	-0.42108947	-0.273567	0.34922093	0.97231567	-0.9719166	0.30722246	-0.8188444	0.05332209	0.17107214	0.49469438	0.40801075	-0.31796342	-0.4825192	-0.5018602	-0.12185084	-0.54482913	0.26117477	-0.46395224	0.43727773	0.20812717	-0.083464004	0.999953	-0.37079898	-0.20421556	-0.5540102	-0.39392635	-0.20728594	0.13907	-0.70447546	-0.5692735	-0.3494075	-0.6962108	0.44279173	-0.62866735
569	0	O=C([O-])c1ccccc1	-0.6005673	-0.20151375	-0.67085433	0.4276061	-0.21650426	0.24770904	-0.10469696	-0.36137518	0.27440462	0.24749275	-0.26513374	-0.3859311	-0.14702907	-0.845542	-0.3286367	0.7219597	0.3178501	0.7834369	0.23650879	0.205173	0.33799568	-0.9413865	0.52783936	0.15660277	0.31580693	0.36815265	0.51727724	0.47831327	-0.18753058	-0.05508894	0.21531004	0.09777242	-0.12232766	0.026414633	0.35690624	-0.4564811	-0.03135768	0.77337295	-0.7653932	-0.7673818	-0.9992428	-0.4186405	0.13574432	-0.5322053	0.19409372	-0.9979833	0.4759402	-0.2413739	0.99487454	-0.409966	-0.008768809	0.46053615	0.19834395	-0.46056673	-0.9555107	0.109195076	-0.418611	0.97125393	0.47042394	-0.22238256	-0.19946402	-0.47745192	0.2159393	-0.6028302	0.30364248	0.09731732	0.117121466	0.35901305	-0.41702598	0.37058195	0.83680123	-0.99967384	0.28342533	0.58775926	-0.5008121	0.86354196	-0.48441362	0.22229798	0.45519587	-0.99959993	0.015120775	-0.38811243	-0.86470354	-0.63978106	0.3225923	0.95265347	0.66963744	-0.5098076	-0.20904703	0.14437261	0.18317209	-0.25932857	-0.49570888	0.27983832	0.84800977	0.37151638	-0.74303627	-0.098394744	-0.4203665	-0.66396356	0.3081948	-0.3881394	0.016774915	-0.57596904	0.9863189	-0.2142889	0.5698511	0.50846654	0.9949046	-0.17986381	-0.08806577	-0.12056019	-0.4953141	-0.35753834	-0.5782562	0.47249913	0.5128787	-0.06339433	0.9994887	-0.12758489	-0.13333586	0.28417122	-0.5065494	0.38449782	0.011611036	-0.26215944	-0.41075808	0.18509045	-0.08886609	0.9745405	-0.24185546	0.5485448	0.42635232	-0.072776884	-0.33085918	-0.59883726	0.4193485	-0.54754466	-0.46624514	-0.2752344	-0.9914164	-0.4652337	0.93749106	0.31476262	0.54190665	0.06777693	0.768521	-0.14829062	0.99886173	0.20512624	-0.302453	-0.30138344	-0.31879663	-0.107398115	-0.47224692	-0.35084376	0.08011396	0.9996989	0.51085395	-0.96170235	-0.99706453	0.67292196	-0.19028611	0.2154052	-0.4523399	-0.12077478	-0.18863237	0.6975706	-0.4746716	0.44656873	-0.74558216	-0.12743807	-0.16189328	-0.13437103	0.34525782	-0.96809316	-0.59060585	-0.3633281	0.1028843	-0.35424772	-0.059551593	-0.976413	0.046247706	-0.093130864	-0.93477994	-0.16885115	0.6080531	0.12790577	0.23810416	0.019978682	0.5250463	0.19503659	0.4880753	-0.1471444	0.16136332	-0.40194297	0.03411324	-0.59379894	0.5220497	-0.47338882	-0.52409124	0.3447257	-0.7123466	-0.2432243	0.541054	0.120977886	0.3834452	0.3350458	-0.2262651	-0.0704123	-0.002377388	-0.34974295	0.47586745	-0.5695786	-0.15119919	0.5315727	0.070978515	-0.5629929	0.3819193	-0.013079894	-0.37982348	0.042349372	0.2087747	0.16655932	-0.7521296	-0.335899	-0.2994811	-0.4701925	0.53129154	0.16241126	-0.3569252	-0.547176	0.6368251	-0.59562486	-0.41919297	-0.6959298	-0.11861839	0.15358093	0.011394271	-0.062822826	-0.21447961	-0.14831692	-0.17376223	0.16865544	0.48209295	-0.072499484	-0.2213313	-0.075005636	-0.039614573	-0.24725187	0.2620618	-0.99649686	-0.6142133	0.1763301	0.4974933	0.0935449	-0.09869892	0.6829007	0.1323568	0.09140917	0.16374472	0.61317617	-0.28215998	-0.1162698	0.15334652	0.4802187	0.13224304	0.735272	0.89455366	0.31988838	-0.019437307	-0.98283046	0.5978055	-0.12552463	0.3402308	0.9369672	0.003076279	-0.52087295	0.1506504	0.48067933	-0.3541409	0.9995561	-0.18545753	0.55210435	0.08596859	0.55081576	-0.5792559	-0.7064894	0.92585593	-0.32054296	0.2188623	0.9997367	-0.1023808	0.67090756	0.30913198	0.4361933	0.995192	0.005192829	-0.104678795	-0.505924	-0.28386763	0.20322146	0.047446232	-0.07941819	0.014627758	0.001256279	0.9995278	-0.19829354	-0.39045125	-0.2401568	-0.3526091	-0.3525495	0.1584559	0.42306575	-0.42096326	-0.15025756	-0.17968063	-0.42294377	-0.9999904	-0.40425766	-0.2547674	0.7162018	-0.1461837	-0.2909767	-0.08125423	-0.4241967	0.063707516	-0.8080616	-0.3911149	-0.24481416	0.16717698	0.44227925	-0.18374872	-0.1217353	0.5261315	-0.88959974	-0.32527056	-0.13997336	-0.6049134	-0.24019764	0.584992	-0.07941108	0.34528896	0.8740013	0.55360496	0.3566759	0.063512586	0.3255884	0.12592033	0.97071964	-0.99628735	0.47259757	0.1770865	0.1995977	-0.16332604	-0.74444157	-0.2706667	0.974579	-0.102991074	0.29862162	0.13930522	0.50151485	0.6553376	-0.07698099	-0.08816227	0.08439396	-0.45769176	-0.720597	-0.046409015	0.6135041	0.26461473	-0.37583774	0.170081	0.9805237	0.21375473	1	-0.40421668	-0.48179686	0.07923235	-0.22719131	-0.95722425	-0.5332869	-0.05646558	-0.6654154	0.32810125	0.12170683	0.40026924	-0.593653	0.24658167	0.48835874	-0.1701546	-0.122562386	-0.44574797	0.2844502	-0.42363125	-0.38973	0.4457463	0.8080331	0.8266612	0.82786703	-0.61062783	0.51535696	0.16390394	0.036684748	-0.29183906	0.014517462	-0.5896262	0.9113423	-0.48026976	0.18648385	0.51726216	0.15979716	-0.2873296	0.42894688	0.5277227	0.06552455	0.99999994	0.31773552	-0.996884	-0.13189061	0.99550533	-0.61201614	0.28700778	-0.99988216	-0.19682436	0.6477811	0.40034488	0.17153847	-0.8300254	0.13054852	0.1395285	0.9552777	-0.26039886	-0.4240923	-0.25475848	-0.5440183	-0.1231504	0.1096179	-0.9999615	-0.9998414	-0.997111	0.35309497	-0.5523166	0.23087098	-0.14131528	0.64306706	-0.8535252	0.000919269	0.30204687	-0.5541596	-0.63076746	0.03278592	0.4157526	0.10303365	0.23944339	0.17692813	-0.5429986	-0.9965503	-0.99993604	-0.49587822	0.1735902	-0.6961751	-0.22441694	0.22663325	-0.80663115	-0.32258028	0.1626384	0.13482673	-0.22076724	0.28021318	-0.1913464	0.82442135	0.19345403	0.96913946	0.35835338	-0.04140881	0.24225365	-0.2257369	-0.12933804	0.3487855	0.4212917	0.7009671	-0.14619124	0.11236989	-0.34711114	-0.38002285	-0.3528216	-0.024564177	0.06668231	0.33949846	0.23595047	-0.47025782	0.41850716	-0.98497015	-0.22745632	-0.4562519	-0.16289088	0.07826102	-0.009849327	0.9964582	-0.18589424	0.16943996	-0.18813567	-0.43888402	-0.2933764	0.1894774	0.9289931	-0.2815148	-0.37564212	-0.433628	0.86851376	0.4928326
570	1	CCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.5049251	0.19883254	-0.51000714	0.4182376	-0.25332707	-0.23566636	-0.72791535	0.46345776	0.46109512	0.54186696	-0.6847233	-0.12808779	0.20693639	-0.47847757	0.00346432	0.6072282	0.5909167	-0.2774013	-0.19974494	-0.56944776	0.601306	-0.027411163	-0.35994238	0.76725173	0.77269816	-0.12548245	0.083171085	-0.059997097	-0.2327006	-0.5293047	0.24262804	0.4849854	0.14683153	-0.5994648	0.37891212	-0.6260724	0.6207882	0.8263843	0.98382777	-0.118144	-0.97091025	-0.12182396	0.45320505	0.26224646	-0.7526471	-0.89627004	0.44959778	-0.45779532	0.9962815	-0.5936606	0.55192393	0.039120164	-0.33048853	-0.01162566	-0.6227244	0.3956519	0.97511894	0.7706485	-0.1804628	0.08594327	-0.38611695	0.09399311	-0.7546318	0.292806	0.14357893	0.7507728	-0.76995736	-0.4518167	0.69292575	-0.3166466	0.54368526	-0.7993803	-0.14964998	0.86014825	0.03861965	0.70186967	0.26458162	-0.19703993	0.09005096	-0.99998885	0.64959216	0.07117687	-0.8805856	-0.72212714	0.5158898	-0.7263767	-0.3985238	0.68394923	-0.32434145	-0.30581626	-0.6917997	-0.34378076	0.61490405	0.52989656	0.9990557	-0.6645639	0.45076847	-0.36877665	-0.13134211	-0.80515647	0.6464077	-0.6660065	0.65448725	0.9666989	-0.7018239	-0.61628056	0.38142458	0.47302905	0.983404	0.5290703	0.7342788	-0.46252936	0.58320063	-0.23356734	-0.10923724	-0.09625377	0.25309858	0.09196451	0.9945629	0.6490261	-0.24640867	0.25532624	-0.46736526	-0.15013987	-0.620327	-0.078155674	0.03007923	0.15898322	0.08385686	0.9998167	-0.50063103	0.7022337	0.16670966	0.48360574	0.15339378	-0.93564993	-0.11029885	-0.2337694	0.4878564	0.39274538	0.99952745	-0.23718406	0.81153446	-0.024090035	-0.40714902	0.29555443	0.49547535	0.22965045	0.31229222	0.52990407	-0.06030407	-0.9005008	0.14899051	-0.23315208	-0.05861259	0.248532	0.25861758	0.94842225	-0.27668706	-0.97712404	-0.88153595	-0.8086314	0.5993995	-0.61496	0.54435295	-0.1277128	-0.71201885	-0.4512058	0.07395846	-0.55814254	0.19073482	-0.106252894	0.104228854	-0.51144403	0.63377476	-0.95130265	-0.42569113	0.22007883	-0.67669815	-0.3316478	-0.02522219	-0.9969704	0.5129051	0.4397334	-0.572417	0.8194255	0.50019896	0.15476435	-0.44417956	0.6305852	-0.8354718	0.45942724	0.34135497	0.16790955	-0.5292292	-0.02277088	0.058492895	-0.24443483	-0.18024684	0.21794508	-0.28223604	-0.28662723	0.062086876	-0.22830993	0.12989584	0.2657643	0.048447806	-0.7381108	-0.025401084	-0.9996271	0.31912303	0.13568394	-0.79233307	-0.6972494	0.3610791	-0.4195268	-0.48588282	0.07588972	0.38343626	-0.116787635	0.18883418	0.27485767	-0.5093304	0.14662795	-0.96802455	0.5968551	-0.062505126	-0.54173666	0.090666525	-0.29353395	-0.67121524	-0.013428248	-0.4135668	0.46069172	-0.48082468	0.12000434	-0.6488718	-0.110735826	0.2892416	0.17490451	-0.5637305	-0.01123082	0.1658026	0.6671292	-0.91751194	-0.14288025	0.30593735	-0.060804226	-0.260308	0.46689072	0.35479027	-0.99984705	-0.36097234	0.8535148	-0.30272734	0.49573344	0.5182102	-0.2143879	-0.10131656	0.002473483	-0.37955537	0.8228944	-0.8011333	-0.69914913	0.13598567	0.6223116	0.7611564	-0.70457226	0.9791309	-0.48615754	-0.068278894	0.86562866	-0.3776024	0.050502557	0.35709035	-0.1455797	-0.35704648	-0.12257299	0.35193026	0.51264054	-0.47376612	0.99878556	-0.7939833	0.6406441	-0.91187483	0.3959621	0.46372783	0.887406	0.7400046	0.44388902	-0.04285528	0.9954021	-0.049365964	-0.5849835	0.44178152	0.87163204	-0.9952783	-0.99151903	-0.29234713	-0.015736224	-0.4463015	-0.18664563	-0.69108343	0.29229167	-0.34245408	-0.88418704	0.23068434	0.4137123	-0.03098199	0.46970418	0.120884515	0.6791241	-0.32188946	0.46916237	-0.9208198	0.5176405	0.46659598	-0.11253629	-0.9999825	0.12660076	-0.10057508	0.20808037	-0.27292138	-0.94691956	0.72032887	-0.5369912	-0.1119698	-0.9033461	0.428842	0.767304	0.47835645	0.56851983	-0.32041395	-0.4399897	-0.36863607	0.8391123	-0.49462616	0.13142347	0.876291	0.1902314	0.30181116	-0.014890646	0.32833254	0.7527919	0.11804672	0.25003725	0.35992485	-0.12226308	-0.111196265	0.0534012	-0.985119	0.6479515	0.24906649	-0.35804844	-0.5836107	0.022505032	0.086552165	0.9998528	0.006286417	0.5178968	-0.2217645	-0.29770225	0.44426146	0.06985158	0.06995753	0.12610254	-0.83978313	-0.8481707	-0.50680166	0.18740164	-0.17740232	-0.838272	-0.8842246	0.64878845	-0.33809045	1	-0.7120187	-0.38240725	0.17960909	0.3715978	0.018160215	-0.06159103	0.9180266	-0.3697163	0.45192936	-0.85131735	0.3445135	-0.54187655	-0.41017082	-0.34827816	-0.8169818	-0.4581693	-0.4346129	0.093775645	-0.17612988	-0.9904337	0.6009973	0.13989985	-0.93596846	0.4419893	0.6313695	-0.004912304	0.000195568	-0.40757945	-0.062223252	-0.3377764	0.031544276	0.96567214	-0.4134176	0.3342486	0.12750678	-0.64201146	0.048918236	-0.005635134	0.504657	-0.18186928	0.9999998	0.21158852	-0.9934177	0.11693421	0.99831927	-0.58658963	-0.003589564	-0.9999655	-0.7426732	-0.9713325	-0.71851844	-0.082872145	-0.37714276	0.23887089	0.31972378	-0.60435194	0.4138704	-0.21782233	0.40899503	-0.22048719	-0.18262294	-0.5276507	-0.9999067	-0.99999994	-0.85160834	0.2708958	-0.40491506	0.7066722	0.03071763	0.6810013	0.97852546	-0.70561796	0.10794124	-0.53625214	-0.018987065	0.09892821	-0.6983337	0.2973921	-0.4263988	-0.19728127	-0.26517856	-0.63323915	-0.99962264	-0.69242084	-0.7206371	0.09079348	-0.11828567	-0.7766323	-0.6700749	0.57803166	-0.5865981	-0.5578721	-0.5642944	-0.0622429	0.068697706	-0.8607985	0.1259402	-0.95403373	0.22539969	0.37666544	-0.091797	0.5916132	0.6031689	-0.5690169	-0.03272486	0.6574256	-0.9940218	0.80488473	0.43198022	0.6532561	-0.013644268	-0.017108295	0.00967274	-0.875842	-0.6635945	0.38844955	-0.19749291	0.9243527	0.12297186	0.17159817	-0.07368817	0.21098758	-0.35941127	0.9999788	0.83936125	0.16599718	0.5806958	0.5525743	-0.6394953	-0.1669919	-0.9789373	-0.05645207	0.2846038	-0.67613393	0.6685423	-0.34773052
571	1	O=C([O-])C(Cl)(Cl)Cl	-0.46469513	-0.34538266	-0.8643397	0.11314686	-0.5626405	0.05540703	-0.25373086	-0.43298355	0.27689958	-0.58794224	-0.002086755	-0.16178827	-0.54128325	-0.22004138	0.5131045	-0.5817674	-0.039410003	0.3149701	0.4542351	0.09341377	0.44804695	-0.88408065	0.46506345	0.045127764	-0.2819095	0.105734855	-0.005185229	0.65425354	0.3239751	-0.41281188	0.25936487	0.7186375	0.44312412	0.40138713	0.6278996	-0.17067443	0.19744778	0.8479542	-0.8662488	-0.8210991	-0.9967797	-0.07050831	0.13881037	-0.37665448	0.46508455	-0.9979259	0.7870045	0.22195362	0.9990592	-0.4608725	-0.27905166	0.67459214	-0.2585572	-0.6372111	-0.9316669	-0.0715189	-0.33312505	0.9664702	0.2407321	-0.20503761	-0.22861005	-0.75575143	-0.0000453	-0.16362144	0.27479753	0.64024913	0.39947116	-0.06010462	-0.41500172	-0.12260998	0.34040388	-0.999515	0.22658618	0.897055	-0.08482402	0.66216725	0.4985695	0.020263756	0.15312895	-0.99995184	-0.20626768	-0.4037085	-0.6853883	-0.5613343	0.44994268	0.9742596	0.8144528	-0.3127929	-0.60998935	0.11791003	-0.061824314	0.59607154	-0.006437175	0.67030424	0.9217407	0.35221562	-0.8421618	0.057967648	0.08158008	-0.8082467	0.728439	-0.6220984	0.39880854	-0.9339207	0.99061847	0.024936737	0.269895	0.46226355	0.98254895	-0.023975331	-0.1902443	-0.22770578	-0.5701853	-0.78053015	-0.59555256	0.015772926	0.22026971	0.063810885	0.99961215	-0.35629478	-0.34754163	0.5441654	-0.1462328	0.14520968	0.06874778	-0.007852046	-0.056475326	-0.3118361	-0.037168473	0.9861659	0.0928626	0.017883282	0.6735645	0.16261812	0.000743609	-0.5395106	0.002623354	-0.4986879	-0.02169861	-0.31544408	0.99392253	-0.39172962	0.96402156	0.3272573	0.4463479	0.214503	0.7115342	-0.23135139	0.9982777	0.13379344	-0.19811128	-0.3343712	-0.42315525	-0.7254027	-0.48369974	-0.24702962	-0.04362626	0.9997288	0.012626534	-0.95155066	-0.99600756	0.2890119	-0.3245749	0.6142287	0.4273853	-0.19214681	0.15499814	0.7678264	-0.47597766	0.0577057	-0.90027094	0.18181123	-0.28270435	-0.08132453	0.6432218	-0.9584454	-0.6936917	0.054634824	0.27577847	-0.009105799	-0.26987445	-0.9707682	-0.07055277	-0.42547977	-0.860607	-0.23456696	0.68522424	0.8208988	0.19164757	0.012122677	0.377383	0.28746414	0.24716474	-0.49289495	-0.006563174	-0.50097317	0.29824874	-0.47272283	-0.05813639	-0.04102557	-0.91258276	0.3183444	-0.7796428	-0.32330054	0.26275456	-0.43653762	0.2153221	0.54909223	-0.34387922	0.16577642	-0.25363296	0.27205953	-0.05812018	-0.33185485	-0.11552888	0.6645155	0.21837316	-0.68339187	0.25782198	-0.25385687	-0.46297613	-0.07916076	0.668329	0.5806805	-0.8039011	-0.6538698	0.07662508	-0.27144364	0.3783024	0.33143324	-0.5100697	-0.69279027	0.04082494	-0.5726939	-0.2828218	-0.7710535	-0.042759996	0.39164704	-0.3977832	-0.034427587	-0.18828209	0.2174936	-0.18487814	0.19303632	-0.14373425	0.04320649	0.07922512	-0.4635088	-0.30877227	-0.6483572	0.22996798	-0.9997698	-0.86452204	-0.2201075	-0.19342105	-0.17187639	0.115535274	0.27328366	-0.3531752	0.3093888	-0.1867773	0.71092874	0.48038632	-0.30391747	-0.15333144	0.34275892	-0.08101602	0.754304	0.9688324	0.34004775	-0.33119038	-0.411433	0.596118	-0.43070304	-0.098012656	0.95605224	-0.10855519	-0.6438987	0.38883162	-0.61994636	-0.18334202	0.9993729	-0.28629094	0.54286015	-0.12271548	0.013513959	-0.8701667	-0.5505344	0.89300567	-0.5356872	-0.02387125	0.9997679	-0.6238637	0.7728048	0.51556957	-0.20418581	-0.9962082	0.120453864	-0.27065402	-0.39379594	0.32464823	0.18945435	0.37932855	0.5846054	-0.2648408	0.27963784	0.99980783	0.14548747	-0.5408305	-0.15478161	-0.026184889	-0.3684951	-0.09425284	0.27212664	-0.4473447	-0.11946165	-0.3719408	-0.02707801	-0.9999728	-0.22149885	-0.32699728	0.3597737	0.12923905	-0.014412202	-0.009895057	-0.6721984	-0.039735228	-0.8541583	0.06753395	0.08740766	-0.18660262	-0.122068055	-0.46591136	0.48432717	0.55317	-0.84204125	-0.21593203	0.16592672	-0.558305	-0.15082565	0.52484673	-0.9039514	-0.02961475	0.6721815	0.46334305	0.47946027	-0.1714279	0.549015	0.3126243	0.98093164	-0.99287826	-0.15154792	0.4769244	-0.044877514	-0.17837505	-0.70936614	-0.7058641	0.987094	-0.05706172	0.6111724	-0.40189943	0.6073609	0.75232035	-0.09215686	0.09980666	-0.16431369	0.5113097	0.19187847	-0.033721045	0.22318642	0.4658797	0.19591556	0.23725384	0.9685691	0.4318195	1	-0.16868511	-0.66929275	0.72686076	-0.005564803	-0.97379446	0.22415042	-0.092438854	-0.38345808	0.23358299	-0.06013112	0.36166665	0.078593835	-0.1671678	0.14160067	-0.2180634	-0.13657546	-0.40513822	0.4643342	0.0892379	-0.5762195	0.5435905	0.6777652	0.8710078	0.78012675	-0.6201229	0.1776016	0.23251347	-0.30758902	0.050808396	0.4675826	-0.7377389	0.89642483	-0.62721175	0.17909478	0.6773313	0.5655439	0.4893116	0.78244066	0.58749485	0.5879847	1	-0.07283994	-0.9932147	0.3105281	0.99147516	-0.84179544	-0.11676019	-0.9998172	-0.49155328	0.72477317	0.25400785	-0.38135374	-0.74719864	-0.41647092	0.21051534	0.92716604	-0.20395702	-0.019089228	-0.038849797	-0.54172915	0.12996143	0.57068557	-0.99998707	-1	-0.99894047	0.17042717	-0.5196555	-0.3799687	0.3346002	0.3682087	-0.8996681	-0.13761029	0.18142897	-0.21698509	-0.39103952	0.079955846	0.62674505	0.5204772	0.22602248	0.14080611	-0.5010753	-0.9983267	-0.99992704	-0.18325748	-0.15920505	-0.16512412	0.19724871	0.47374913	-0.69881624	-0.5374392	0.554061	0.2938738	0.3141431	0.3530145	0.4768572	-0.9177136	0.049418196	0.9653804	-0.1062265	0.002160834	0.053240046	-0.049110625	-0.5772086	0.5366151	0.047291227	0.5470754	-0.8669442	-0.1375643	-0.47601405	-0.12870573	0.20107841	0.49753505	-0.05676014	0.5648611	0.021278946	-0.25668105	0.36671954	-0.9943207	-0.51019514	-0.06116048	-0.33880776	0.13333085	0.28302637	0.99869376	0.372182	-0.16306737	-0.179078	-0.44721636	-0.45851222	0.6296459	0.9501397	-0.58610266	-0.40657246	0.22967115	0.759509	0.10473011
572	0	Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O	0.4661511	-0.33927825	0.57771665	-0.061347604	-0.52016026	0.040988024	0.34954798	-0.287135	-0.6198024	-0.16885833	0.34580466	-0.35361943	-0.5068576	0.41426632	0.15077995	0.40790313	0.28163293	-0.69710433	-0.16151582	-0.18093589	0.2843384	-0.21331735	-0.40929645	0.37098572	-0.22220153	-0.11521589	0.15206404	0.13332227	-0.074958585	0.6994175	0.12429828	-0.08621238	-0.30661517	0.23410927	0.47105482	-0.19363196	0.26320934	-0.3629915	0.9516065	0.26966763	-0.8555737	-0.24159953	-0.3663582	-0.08535604	-0.29719603	-0.9735394	-0.032854635	-0.3217277	-0.1457494	-0.4122192	-0.71713686	0.1957348	0.33961922	0.6313303	-0.6282554	0.2524434	-0.14626308	0.6277041	-0.39328316	0.539331	0.24516052	0.45313227	0.01905793	0.828797	0.16840313	-0.26755342	-0.20001785	-0.11389758	0.115025334	-0.7662554	-0.8694391	-0.99992263	-0.17685784	0.2097114	-0.44839415	0.6056153	0.21100287	0.14499722	0.34275594	-0.9999552	-0.80917794	-0.113621205	-0.9221346	0.006076546	-0.38758102	0.88189214	-0.10301802	-0.5025299	-0.58542585	0.47075236	0.62929094	-0.5708318	-0.34872094	-0.06792254	0.9979352	-0.49884245	-0.7683849	0.06689859	0.16074736	-0.6171618	-0.5147615	-0.07297235	-0.70585394	0.6216616	-0.4693947	-0.8335778	0.20159642	0.32843357	-0.9997981	-0.005592612	-0.14255488	0.3739385	0.13596793	0.2459343	0.21607555	0.7445417	-0.099638626	-0.29525244	0.99937063	-0.6628965	0.026406385	-0.11917881	-0.04067678	0.051755942	0.45839986	0.341632	0.2668527	0.27731517	0.06079037	0.9366929	-0.6765711	-0.5533432	-0.23454435	0.84371036	0.18165267	-0.3629851	0.12704349	0.21400589	-0.45925057	-0.36405224	-0.99996036	0.08963347	0.79944915	-0.34356052	0.039693132	0.41308174	0.55691737	0.46577436	0.6392599	0.18676053	-0.6158252	-0.622115	-0.59095645	-0.4749094	-0.013293163	0.37330988	-0.5626051	0.9819461	-0.05024947	-0.5159878	-0.98865855	0.2779623	0.05778658	-0.71720326	0.28171557	0.48722875	-0.08594839	-0.23082119	0.23281448	0.35412407	-0.48338324	-0.01865324	-0.054527383	0.04785154	-0.34493172	0.2384616	0.14373404	-0.03670867	0.10314942	-0.6177618	0.09332064	-0.9880916	-0.62875116	-0.33503133	0.3022595	0.11880202	0.21707253	0.52984375	0.12010227	-0.14280361	0.0819727	0.1366927	0.34476402	-0.14326012	0.6884225	-0.693607	-0.32699943	-0.38378876	-0.33555618	-0.2169028	-0.40631583	-0.5995291	-0.10426368	-0.5716614	-0.3771322	-0.16631705	0.3224983	0.3034547	-0.53957355	-0.99762976	-0.720279	-0.8366885	0.57340497	0.2946485	-0.4126874	0.7885055	0.60635597	0.56172734	-0.44961798	0.52527845	-0.24334356	0.44688058	0.9009155	0.3001579	0.9971933	-0.47027218	-0.14303754	0.44695643	0.54142445	0.30109406	-0.7034271	-0.17936724	0.14469942	-0.091165595	-0.6051206	-0.08271364	-0.5247109	-0.18812263	-0.7180685	-0.099277645	-0.8579973	-0.103209734	-0.322851	0.05026944	-0.63786256	0.10843731	-0.4052937	0.66350985	-0.1657368	0.5291332	-0.034059342	-0.9732499	0.09140817	-0.12095782	0.5377811	0.54070157	0.36360648	-0.05091348	0.21342315	0.47166264	0.35488084	-0.009174976	0.31339303	-0.014943574	-0.31666696	0.60262245	-0.03436984	0.58771497	-0.15634483	0.38265276	-0.29167017	0.97479224	-0.33583397	-0.3668115	-0.45370302	0.13229775	0.44354358	0.36840582	-0.053948306	0.6756605	0.29413834	0.999395	0.7856492	0.13927047	-0.30782443	-0.20774174	-0.3030156	-0.84845823	-0.9657351	-0.105686754	0.25806323	0.9979948	0.2535261	0.5113855	0.04659784	0.008239227	0.999994	-0.18739973	0.2978301	0.22282587	-0.36097747	0.22205748	-0.023587959	0.20517173	0.4236975	0.60982394	0.8177741	0.45074496	-0.17935787	-0.031871434	-0.26865342	-0.16166659	0.6463524	-0.48884797	-0.6526707	-0.5214752	0.2540108	0.04677984	0.9681813	-0.4908105	0.499985	-0.5644135	-0.005483996	0.32126677	0.24131724	0.21786043	-0.8440349	0.67988926	-0.28173533	0.10018932	0.36169082	-0.7449296	0.11169666	0.62357575	-0.8767378	-0.98561484	-0.36576268	0.44518548	-0.21112086	0.16869079	0.50124276	-0.8435503	-0.29259977	0.37621972	-0.41796207	0.5252959	0.30921832	-0.41445428	-0.41165805	0.5289464	-0.9782997	0.5763693	0.16438231	0.07477107	-0.47930312	-0.017066693	0.42689332	0.9990712	-0.58688504	0.9210177	-0.77705723	0.11410736	0.38424248	0.11580021	0.29607424	0.50013644	-0.17316449	0.5807069	0.31111947	-0.07073207	-0.20647332	-0.4175584	0.027361015	0.112843804	0.13499622	0.99850756	-0.6824297	0.34678146	0.20732123	0.5686285	-0.44081888	-0.23682971	0.0816784	-0.4931287	-0.19916078	0.20520471	-0.1830072	-0.74314016	-0.12862235	-0.33024794	-0.1461402	0.006185642	-0.33777353	-0.13605061	-0.034466363	-0.46172896	0.48186418	0.5818243	0.54318273	0.73569	0.7151093	-0.5780459	0.19837652	-0.07737754	-0.41688237	-0.8688503	-0.5077599	-0.5854547	0.000863064	-0.08847139	0.3089388	0.11014766	0.5672115	0.12251825	-0.005948808	-0.20086288	0.86395544	0.43034363	-0.9519702	-0.011132541	0.99982977	0.13338563	0.7679576	-0.9663982	-0.49010906	-0.009321446	0.5942304	-0.3758276	0.31570786	0.11064125	-0.3891701	0.8585402	0.142185	-0.5687747	-0.33839503	0.11374307	0.78892833	0.25818363	-0.99998415	0.9938404	-0.9743859	-0.6970432	-0.06153918	0.5059766	-0.48166278	-0.15550748	-0.5801811	-0.21294963	-0.6680192	-0.53747326	-0.06880201	0.4193631	-0.6670285	-0.20293835	0.303066	-0.4663083	0.09190114	-0.91028994	-0.9999651	-0.103904106	-0.48682323	-0.037557308	0.018242635	-0.5414293	0.48779652	0.47741836	-0.7117958	-0.08266563	-0.5317799	-0.46292883	-0.5443726	0.90986735	0.7044268	0.87987417	-0.5270966	0.40729198	-0.39343977	0.22907439	0.053801294	-0.1541823	0.6004134	0.86565346	-0.49492657	0.59729296	0.12447819	-0.1851732	0.2629295	-0.049169347	0.3658234	-0.26153627	0.21166147	0.17966338	-0.8113806	0.55220145	0.6262451	0.41222134	0.55295753	0.6568624	-0.722417	0.9999031	-0.18783684	-0.21006706	-0.47157198	-0.42997777	-0.002505094	-0.41936824	-0.9603064	-0.54979616	0.2659526	-0.65922636	0.60355896	0.510854
573	0	O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O	-0.03700843	0.16849622	-0.54605263	0.70278025	-0.5480788	0.41734746	-0.20776889	-0.033845793	-0.17911318	0.40720344	-0.40875247	0.4419317	-0.5769292	0.11806523	0.2650281	0.6365813	-0.123652354	-0.43879735	-0.45786244	-0.21713082	0.69831973	0.18205005	-0.016119264	0.6528858	-0.07761674	-0.2634277	0.32761616	-0.23878811	-0.6646659	0.3430065	0.1346214	0.13180381	-0.4596396	0.08360009	-0.2291958	-0.13562879	-0.3983202	0.53902817	0.99965686	0.004110193	-0.079784065	-0.07423876	0.21546026	0.15732363	0.48940063	0.64167947	0.34233612	0.23743111	0.7663071	0.15050925	-0.12913527	0.39752573	0.089047216	-0.6569944	0.4525579	0.11488829	-0.76997215	-0.8269745	-0.032446094	0.1353644	-0.00619749	-0.023683317	0.27899498	0.007363169	-0.79891783	0.033090536	-0.22904159	0.27652252	-0.03307141	0.5138633	-0.8592262	-0.9324431	0.018567579	-0.85019296	-0.11559394	0.54740506	0.42647237	-0.64385986	-0.37657958	-0.99777305	-0.8735871	-0.23792998	-0.65057164	0.6539702	0.39449656	-0.7695299	0.18613636	-0.11119977	-0.034551796	0.033306386	-0.47926554	0.3554996	0.029630363	0.0747844	0.9999646	0.095357046	-0.7852921	0.4528464	0.28733826	0.001500005	-0.076173685	-0.51327765	0.5445021	0.9881447	-0.9987421	-0.9014055	-0.6632605	-0.30630764	-0.99999684	0.012173628	-0.071435966	-0.5175472	-0.56845844	-0.049178082	-0.46042874	-0.70447505	0.14125378	-0.08519791	0.89832944	-0.7015747	0.16050492	0.012967492	-0.89743584	0.5263378	-0.8477396	-0.48270503	-0.42349464	-0.3628332	-0.544847	0.99811393	0.45167342	0.23804702	0.053604037	-0.049006574	-0.57281196	-0.4490257	-0.27988476	0.67330533	-0.4051139	0.045175992	-0.9999929	0.310578	-0.7231333	0.09921737	0.63119435	-0.6911638	-0.5818155	0.11231528	-0.99573743	-0.2897022	-0.35935014	0.14140883	-0.24554242	0.3915545	0.19975545	0.045277968	-0.13609684	-0.9190223	-0.45673674	-0.055245362	-0.11135775	0.51490885	-0.17558265	-0.16178563	-0.23780622	0.29278782	-0.6808198	-0.19310631	-0.23136728	-0.2975634	0.30351642	-0.11930312	0.35808715	-0.4447528	0.5489935	-0.7634603	-0.68608075	-0.50166845	-0.4298192	0.06685595	0.56542975	-0.9996624	-0.79603684	-0.13011977	0.8219255	0.121146046	0.5189731	-0.28397873	0.32470292	0.30665308	0.53484446	0.5160075	0.002567041	-0.83678836	-0.317632	-0.05545062	-0.001000998	0.6764365	-0.43557703	-0.15274936	0.16035376	-0.29813665	-0.49069607	0.15293469	-0.22340316	-0.4454781	0.30747855	0.097077556	0.52951276	-0.99991137	0.13676867	-0.44132134	0.20519248	0.43293267	0.5267369	0.37952632	0.018666377	0.3707655	-0.16449255	-0.7270135	0.50691384	-0.071442276	-0.19397508	0.6799746	0.99992734	0.2922621	-0.756464	0.42586616	0.1876471	0.745693	-0.36020806	-0.5455645	0.2799193	-0.14192815	0.38096488	0.075982116	-0.10187658	-0.2887064	0.11729022	0.20423521	0.8148514	0.22323278	0.32226175	-0.7740856	0.76449156	-0.062781446	0.47537696	0.1711157	-0.43348387	0.18048304	0.36492726	-0.6959506	0.036005873	0.8519496	-0.24199653	0.25423795	-0.30258423	0.6927361	0.049277637	0.026598806	-0.16684487	0.68005645	0.6063143	-0.36906934	0.24579212	0.7235119	0.3814108	0.05381679	-0.041190207	-0.41418326	0.48496053	0.9967501	-0.034600474	-0.35766256	-0.47857276	0.81636906	-0.08308972	0.65835506	-0.1303914	0.70137095	0.29841214	0.96776843	-0.067736946	0.074682884	0.23203328	-0.112105444	0.22003736	-0.7750147	-0.99858063	0.43604392	-0.605949	0.025485877	-0.49680445	-0.38781705	0.42937458	0.6910367	0.9999959	-0.71275586	-0.6947629	0.49424487	-0.5764396	0.28406414	-0.89471066	-0.41938472	0.7029825	-0.115433626	-0.9973743	-0.040972445	0.9332908	-0.37435997	0.6522844	-0.38186848	0.021981755	-0.17846052	-0.95133567	0.1211589	0.5838756	-0.42987564	0.99984306	-0.012184948	-0.6410097	0.6013141	0.3414051	-0.9333596	-0.30480278	-0.34979317	0.7371129	-0.78486156	0.7738856	-0.006093345	0.761594	-0.72761697	-0.535754	-0.15516363	0.28745645	-0.12972428	0.61186314	0.001878417	0.16418508	-0.020928865	0.33170986	-0.018709037	-0.66374266	0.65727234	0.03773763	-0.52263784	0.62569636	-0.08986843	-0.4733614	-0.9759658	-0.5200043	-0.2847398	0.49879184	-0.17643072	-0.13248649	0.848229	0.32246584	0.9994381	0.37548164	0.79381365	0.5820548	-0.592511	0.44652665	0.13260697	-0.5718057	-0.031882953	-0.39275986	-0.47510332	-0.12633288	0.53602093	-0.65335935	0.34666556	0.5930779	-0.6127221	0.38353777	-0.99321634	0.12688245	-0.64622515	-0.2863947	0.26845455	0.59541696	-0.5483677	0.32865337	-0.34116167	0.59242225	-0.2887863	0.71295387	0.64577115	0.355652	0.75335175	-0.3562037	-0.6157447	-0.54734087	0.5194716	0.4255488	-0.14540377	-0.4129966	0.54170245	-0.8067842	0.6643217	0.9961243	-0.24818836	0.7666813	-0.29459515	-0.11580511	-0.4098812	-0.1599179	0.88799673	-0.3054492	0.22296533	0.2973799	-0.5157678	-0.25733665	-0.6907439	0.07454435	-0.45720994	-0.88878345	0.39359564	-0.99317896	-0.67003614	0.9987335	-0.21144822	-0.3738854	-0.80931944	0.24110903	-0.8120978	0.32766232	-0.17461637	-0.35288435	-0.088881776	0.27453643	0.18194109	-0.68023527	0.052454513	0.391531	-0.08600464	0.21397987	-0.76439744	-0.9998901	0.99999964	0.5845813	-0.20021653	0.4354881	0.8204434	-0.6045763	-0.0861189	-0.6555494	0.17367929	-0.69743115	-0.23884057	-0.9296887	0.11871549	0.11241642	0.19829214	0.46017396	-0.10835536	0.0678131	0.9408041	-0.9989259	0.000810618	-0.057067964	0.5110866	-0.2524456	-0.8129543	0.87251395	0.86837995	0.39567	-0.1135792	0.4326638	-0.35697263	-0.58040965	0.989699	0.28389755	-0.6143691	0.5038532	-0.70634836	-0.13319464	-0.54926646	-0.30011404	-0.7447166	0.40908176	0.8419151	-0.9861128	0.5977443	-0.05241143	-0.39919072	-0.19292845	-0.64537495	0.57777846	0.76258415	-0.41441694	0.059936363	-0.37624753	0.9994102	0.07985874	0.40891376	-0.6149799	-0.23903698	0.38967648	0.9998328	0.34096485	0.26377606	-0.33558512	-0.44647163	-0.26604185	0.5909516	-0.99799544	-0.11483362	-0.62716013	-0.80708987	-0.35569656	-0.698852
574	0	Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F	0.34977254	-0.51077765	0.37438753	-0.27861735	-0.67101693	-0.10579686	0.20679691	0.4145098	-0.42917576	0.31966147	0.32993746	-0.44523513	-0.2373567	0.6383757	0.28542134	-0.78361136	-0.2853676	-0.061937414	0.032467563	-0.6275567	0.21459876	0.72737885	0.76937306	0.46416226	-0.25618297	-0.15201347	0.421675	0.31705552	0.057421643	-0.5964328	-0.6350325	0.12937257	-0.3922816	0.1267882	-0.29420456	-0.05160163	-0.35947224	0.20114906	0.99928534	-0.31729317	-0.76292324	-0.13949017	-0.39873722	0.40879974	0.05326472	-0.081622146	-0.106783636	0.49524575	-0.089517556	-0.39065307	-0.5421084	0.35535422	-0.06323207	0.36135912	0.28395742	0.8476082	-0.7313413	-0.8516017	-0.77402556	-0.20870374	0.32286957	0.8331858	0.26656985	0.4305014	-0.309911	0.6635377	0.20381029	0.22217983	-0.6994061	-0.24578093	-0.9878098	-0.99553734	0.3724457	-0.8669495	0.4855102	-0.60907763	0.58118635	-0.26782635	-0.30723426	-0.99949557	-0.31996533	0.71782285	-0.9417673	0.29448116	0.25547504	-0.36322004	0.045546148	0.4545925	-0.40551087	0.37441865	-0.22560515	-0.38038447	-0.047796495	0.3414588	0.99967444	-0.5887781	-0.3900307	0.08939248	-0.7508823	-0.52052605	0.5236209	0.10302935	0.28843868	0.3232203	-0.9941271	-0.9372438	-0.5136716	0.008518094	-0.96408445	0.72759944	-0.11211051	-0.09198353	0.10179375	-0.06374367	0.12024222	0.04384745	-0.22924809	-0.5521431	0.99267197	-0.8141086	-0.6566336	0.21807954	-0.19734374	-0.62844294	-0.6879059	0.4950082	0.4361269	-0.14140183	-0.14189339	0.99640787	-0.40344846	-0.45229042	0.785469	0.20717117	0.33993617	-0.98954123	-0.21498181	0.3382769	-0.64448726	0.23515707	-0.9998441	0.53164184	0.19751562	-0.5879944	-0.10332477	-0.5901487	0.4117899	-0.7087279	-0.9251644	0.053736694	0.034475304	0.8071433	-0.83438706	-0.7891932	-0.31537846	0.007622765	-0.06824025	-0.07915927	-0.76049113	0.041925468	-0.65448225	0.053964835	0.15728436	0.23039247	-0.1527144	0.717313	0.31645104	-0.21520028	-0.48545563	-0.15651473	-0.51454943	-0.32913542	-0.5307939	-0.4431545	-0.49667123	0.3479295	-0.6364347	0.5221205	-0.42870447	-0.5841743	-0.15578651	-0.9950597	-0.63059676	-0.38511553	0.12675087	-0.1633353	0.40283483	-0.35762084	-0.12747929	-0.6963168	-0.28275132	0.46581736	0.14792648	0.056458063	0.67860174	-0.043373056	0.3673393	-0.8465809	-0.006225864	0.6487195	-0.63610417	-0.54208714	-0.30832192	0.04315788	0.31314087	0.40878448	0.8049576	0.611522	-0.24186964	-0.9999155	-0.5688728	0.08658945	-0.19086353	-0.473322	-0.5284715	-0.3265554	-0.17462645	0.62373775	-0.21486394	-0.7762261	-0.16703092	-0.4425937	0.8043074	-0.32672396	-0.94329053	-0.43478182	0.25274187	0.2443449	-0.48520905	0.04817428	-0.37962514	-0.46401423	-0.07153875	0.007855878	0.01188465	-0.30599734	-0.59522897	0.3394627	-0.6064656	-0.46483618	0.9017814	0.18781349	0.6572978	-0.30260244	-0.25944775	-0.20967047	-0.000632495	-0.11835982	0.34559909	-0.67153394	0.21108629	-0.9795578	-0.09824421	-0.28835386	-0.4237721	-0.30384222	0.63022745	0.6042032	-0.11491097	-0.13936135	-0.030950366	0.6132755	0.6088951	0.19441535	0.17722203	-0.71617085	0.5359841	0.6173045	0.79865175	-0.5811869	0.5961533	0.98843336	0.39521727	0.056674473	-0.031330973	0.10089444	0.29417378	0.4436965	-0.56489134	-0.3953786	0.41981187	0.99481606	0.69885844	-0.2833427	0.22381534	-0.35213926	-0.1724962	0.4107087	-0.918118	0.2389376	0.20067728	0.9222914	-0.18125696	0.83238727	0.7149835	-0.2306669	0.9998923	-0.877165	0.010662218	-0.0415464	0.04702209	0.16254903	-0.4544232	-0.14177258	0.8774907	0.92221254	-0.927361	-0.22254194	-0.118852586	-0.38986737	0.6128953	0.06256598	0.6548098	-0.40651363	-0.81667817	-0.1277562	0.5176908	0.049804553	-0.9482451	0.2922371	0.9027952	-0.30141652	-0.2741682	0.15300156	0.6659468	-0.52465546	-0.3662562	-0.50259405	0.7621014	-0.18584916	0.022693101	-0.747567	0.79279363	0.022148034	0.5864204	-0.59665245	-0.27141675	-0.4064064	-0.47772342	0.5251272	-0.36222234	-0.24325253	-0.5085644	-0.6687003	-0.3517617	0.39791185	-0.13892208	0.63689405	0.5591804	-0.85905045	-0.7863834	-0.19838154	0.43817574	-0.3468982	-0.42959276	0.076511554	-0.15811273	0.9998802	0.59454805	0.21826026	-0.35943064	-0.28040612	0.0460806	-0.05612488	-0.23794702	-0.21702477	0.8814881	0.41098982	0.41368368	-0.7783149	0.21297303	0.4883742	0.3598364	-0.66269803	-0.030158114	0.99632096	-0.5333878	-0.22901924	0.2781887	0.46965143	-0.27774218	-0.34375718	-0.510075	-0.787919	-0.5421769	0.10609477	0.33233705	-0.25395897	-0.6505856	0.8220728	-0.55518264	-0.31301934	-0.022400327	0.33996597	0.13110851	-0.5881856	0.034509767	0.11187567	0.4333097	0.5204142	0.9546201	-0.83494216	0.39319813	-0.084179014	0.04944491	0.10175568	-0.34660885	-0.29775363	0.67569745	-0.25909522	0.7507306	-0.50024676	0.48195106	0.6859661	0.40304667	0.8062237	0.9998616	0.4484703	-0.99074054	0.21860844	0.99962014	-0.5903742	0.19774598	-0.9987155	-0.20670293	-0.71022266	0.5498899	0.033271033	0.16522887	0.15916109	-0.49759874	0.418581	-0.3282671	-0.1104688	-0.37753063	0.16217333	0.42436436	-0.37645876	-0.99998385	0.9948882	-0.67619395	-0.6433966	-0.17567271	-0.55363595	-0.6423529	-0.2396508	-0.9019065	-0.4512241	-0.049677953	0.8167838	-0.5171286	0.20478985	-0.71445185	-0.3360932	-0.20548289	-0.17233907	0.34061325	0.47975016	-0.99985904	-0.39430952	-0.72822374	0.20410906	-0.17721455	0.13761845	0.24183567	0.71595174	0.27635553	-0.52669746	0.49301034	-0.61958665	0.19292042	0.90511423	-0.46490437	0.8862278	-0.53217566	-0.39775077	-0.451929	0.23938173	0.22047487	-0.6311043	-0.6456829	0.57055473	0.06571268	0.5472074	-0.19557156	-0.1659235	-0.34311777	0.30264193	0.17814586	0.6247821	-0.41132423	0.49181405	-0.6564055	0.9913148	0.3684213	0.6036782	-0.6513236	0.29550776	-0.026281824	0.9997193	0.4853557	-0.43039137	0.038102854	-0.080174126	0.6418375	0.41141355	-0.9967075	-0.021228794	0.1396338	0.681353	0.4354488	0.11291459
575	1	CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1	-0.76682425	-0.10329115	0.21963257	0.61984104	0.002908165	-0.46815315	0.07104033	0.46630692	-0.07429627	0.20691574	-0.5134255	-0.11249502	-0.22880988	0.04695233	-0.48891655	-0.24268652	-0.06497254	-0.3563075	-0.63784283	0.1812059	0.16277495	0.11296348	0.4909346	0.18231764	0.009325047	-0.22041935	0.65652955	-0.6899054	0.28370872	-0.43094614	-0.15869151	-0.2083563	-0.32274044	-0.13915154	-0.16013764	-0.41101474	0.42888635	0.2676289	0.99965984	-0.81430525	-0.6697474	0.00396469	0.3106075	0.027188115	0.21149224	0.8966881	0.04238753	0.47922805	0.7646775	0.2982519	-0.014417198	-0.25577322	-0.12652029	0.16892679	0.014080917	0.24652265	-0.29981107	-0.93880934	-0.3716202	-0.047695864	-0.38303423	0.5620586	0.11822799	-0.74574405	0.51020974	0.51371074	-0.6904748	0.64733225	-0.025447927	0.3274212	-0.98417276	0.6752021	0.1405337	-0.72591513	0.93766594	-0.7805072	-0.49506485	0.6983457	-0.3548001	-0.9974664	0.028914018	-0.34990498	-0.9733445	0.5059402	0.6945673	-0.98816705	0.78813165	0.19994205	-0.21119688	0.64200723	-0.110282786	0.5372341	0.060050618	-0.42427242	0.98936176	-0.6481236	0.7725749	0.21990274	0.5340564	-0.80090344	-0.032881957	-0.2503917	0.060705367	0.9452412	-0.999752	-0.6624779	-0.4011894	-0.23978679	-0.9864199	-0.4112769	-0.02875406	0.3767133	-0.5467872	-0.07256047	0.018344082	0.71924555	0.07653028	-0.3431537	0.6614391	-0.23615943	-0.6310431	-0.19383284	0.08051405	-0.4921962	0.068428785	0.72127455	0.6913307	0.098622374	-0.47373646	0.9999869	-0.23357792	0.44923675	0.28475294	0.6908068	-0.30684614	-0.9939998	0.62634456	0.050728455	-0.69026905	0.28323922	-0.9999994	0.5563629	0.6372836	-0.03984487	-0.07281555	-0.13086526	-0.2656466	0.3270694	-0.9990992	-0.20015244	-0.55675834	0.5994081	0.5907444	0.62438804	-0.10561765	0.2617996	0.05277331	-0.98303246	-0.8680548	0.39517012	0.4430188	-0.47699705	-0.5344069	0.070398204	-0.42507485	0.4952745	0.398615	-0.72548795	0.10861004	0.23461671	0.10235465	-0.2783823	-0.5846929	0.49154174	0.3727575	-0.24593355	0.19572031	0.22039944	-0.25686863	-0.76594526	0.7595897	0.31045237	-0.19219348	-0.12601829	0.54049176	-0.7292241	0.20702887	0.2878882	-0.5582023	-0.5237565	-0.5319201	0.21037637	-0.10271405	0.37409905	-0.73795664	0.2600263	-0.24325864	-0.6065345	0.5950735	0.70742214	-0.57958883	-0.11566543	-0.6396867	-0.30557227	0.0328277	0.11053618	-0.35847914	-0.137386	-0.45945778	-0.9999052	-0.422641	0.4467326	-0.5470668	0.23894414	-0.043760378	0.11272643	-0.0156942	-0.3787794	0.28103504	-0.35469177	0.5461948	-0.6987173	-0.366479	0.010295624	-0.9274156	-0.52793425	0.72556573	0.6069313	0.41111982	0.28977758	-0.2100514	0.4302674	0.5854008	0.03893593	0.841073	-0.51533043	0.59759134	-0.61449194	-0.19496422	-0.068200305	0.8461899	-0.44658455	0.26162294	-0.5259986	0.4145666	-0.47205544	0.45167643	-0.7544922	0.10779877	-0.07010821	0.002718053	0.08507026	-0.7087487	-0.3146609	0.25572196	-0.03495753	0.65731645	0.20690796	-0.1314346	-0.35367897	-0.5216138	0.64342624	-0.03423371	-0.31666255	0.33064604	-0.092411615	0.5688575	-0.21657138	0.9451563	-0.6203126	0.501115	0.995846	-0.45703733	-0.15144585	0.20926598	-0.17491184	-0.09148295	0.514203	-0.53614545	-0.044195622	0.70008296	0.90301704	0.15921426	0.12918612	-0.033743158	-0.043966413	0.37193453	0.90354156	-0.91748476	0.1605174	-0.48053503	-0.69890296	-0.058781907	0.43978482	0.20275216	-0.03404853	0.9999999	-0.99923354	-0.22367707	0.48191172	-0.04580245	-0.56236356	-0.31129014	0.1475331	0.6750362	0.17577	-0.99872327	0.82215166	0.8381789	0.7596066	-0.07462557	-0.5729027	0.1408534	0.2555936	0.82158	-0.32187167	-0.5200141	0.12741564	-0.9244698	0.6134447	0.122902825	-0.504841	0.011563756	-0.84613734	-0.30127555	-0.5345544	0.6323283	-0.9682347	0.4467594	-0.16552682	0.028179243	0.023572508	-0.23147646	-0.11757178	0.23358285	0.9719798	-0.4226195	0.68620884	0.72881335	0.21203749	-0.13431697	-0.111351706	0.5099691	-0.11138173	-0.22716855	0.798816	-0.6242793	0.80877215	0.1993701	-0.9907839	-0.08702616	0.032889504	0.244628	0.14021653	0.32527655	0.2229537	0.6074699	0.9993455	-0.73689884	-0.53007823	0.25049946	-0.12795946	-0.06613262	0.6043597	-0.96056217	-0.099719286	0.3828741	-0.3229915	-0.573655	-0.365896	0.21846649	0.5576917	0.3658417	-0.8355333	-0.37495375	-0.9999995	-0.31422964	0.11556179	0.74276036	0.630069	0.18455316	-0.29209185	-0.8173047	0.38618466	-0.4463208	-0.3243811	0.05567226	0.16183133	-0.44397166	0.43564615	0.48792365	-0.24323599	-0.0782453	-0.24213865	0.28811687	0.17253502	-0.23891297	-0.7826978	0.09823394	-0.8269579	0.6098002	0.024256116	0.34591112	-0.12663233	-0.19722614	0.2805282	-0.3496442	-0.5295989	0.15023546	-0.49192536	0.61745954	0.24222445	0.63549095	0.65402913	-0.08507956	0.2483631	0.9998618	-0.10483339	-0.96143925	0.7235102	0.9931975	-0.35767695	0.21656619	-0.99933773	-0.1609931	-0.8522077	0.73562104	-0.13083665	-0.025508467	-0.18833305	-0.050842375	-0.941266	-0.11115462	-0.3593453	-0.32884008	-0.4262317	-0.47769952	-0.20677379	-0.9998648	1	0.79695916	0.396119	0.69611704	-0.7739367	-0.24170604	-0.6982347	-0.72750777	-0.03516321	-0.549865	-0.037133824	-0.6202565	-0.65023714	-0.08236903	0.69960433	-0.14785807	-0.45229915	-0.21299292	0.9938721	-0.9971596	-0.27675483	-0.3649226	-0.054094523	0.23788881	0.6809454	-0.9547539	-0.46798068	0.03879939	0.20019263	-0.5876272	-0.54376346	0.3526486	0.9839934	-0.09262234	0.753151	0.37421536	0.5095205	-0.1762634	-0.7483047	-0.45290026	-0.78172886	-0.24374638	-0.83429873	-0.74122715	0.22317316	-0.49427247	0.12429732	-0.07189785	-0.745489	-0.9090001	0.062212057	0.3746007	0.41146046	0.3519615	0.9996941	0.5094397	-0.70040774	0.28906783	-0.5572632	-0.12445318	0.99825597	0.66045076	0.46535847	0.35793757	0.1007145	-0.06800632	-0.58363646	-0.9989503	-0.7238566	0.7812807	0.6365375	0.31809792	0.20182034
576	1	CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn1cncn1	-0.49319994	-0.73742884	0.3130477	0.017369973	0.54463637	-0.560457	-0.56321245	0.23760223	-0.067217074	-0.4910428	-0.61211246	0.10114882	-0.14547154	-0.599731	-0.051565707	-0.4674991	0.37087524	-0.23715198	0.42882064	-0.113686256	0.08779425	-0.55516046	-0.5249407	-0.54474604	-0.37359643	0.119826876	0.20052715	0.70929134	0.65217805	-0.028541405	0.34093374	-0.26921627	0.8329206	0.80169487	-0.42409888	0.71824944	0.2931783	0.09401404	0.9936452	-0.7612476	-0.43416128	0.4860369	0.57283455	-0.26469105	-0.19686453	-0.6878657	0.5220525	0.5941438	0.8572717	-0.2607964	0.6657308	-0.1595357	0.46403834	0.35201493	-0.800016	-0.5535654	0.25569612	0.13328858	0.25211462	0.11565068	0.088951185	0.038973086	-0.015338319	0.23029351	0.1780515	0.14877059	0.80006236	0.5548734	-0.5338517	0.5796482	-0.68172747	-0.87612486	-0.077049814	0.37953475	-0.15291347	-0.35212597	0.80215615	-0.16234776	-0.48966545	-0.9994492	0.42310295	0.4485591	-0.8537513	-0.33003086	0.35530162	-0.8915026	0.25238344	-0.5369846	-0.33862713	-0.23851264	0.28788492	0.50818133	0.47487482	-0.093823135	0.9825772	-0.007519274	0.24409004	0.25204557	0.3707512	-0.2390343	0.44546834	-0.36454588	-0.17251742	0.9787742	-0.9696018	-0.72799087	0.23740222	0.57509947	-0.7848513	-0.49988294	0.5117049	0.13503967	-0.44378605	-0.46384177	-0.62081283	0.82316875	0.02078834	-0.15234876	0.9923537	0.5039204	-0.47656465	-0.11779538	0.080733955	-0.004075886	-0.22563986	-0.81285095	-0.04271585	-0.746071	-0.111240946	0.99977195	0.25009814	-0.19383997	0.40438497	-0.1410743	0.5531248	-0.93219864	-0.060326215	0.6739569	-0.04195117	-0.16282557	-0.999989	-0.0702244	0.9251345	-0.31169012	0.36269668	0.24861743	0.26756018	0.23556612	-0.5595074	-0.41794693	0.001253228	-0.89525115	0.47912344	0.32901344	0.33431092	-0.4343668	0.48417208	0.6812136	-0.6470019	-0.26893607	-0.9029362	0.16483948	-0.033867728	-0.42140177	0.2739892	-0.31860223	0.038169038	0.5389294	0.3231988	-0.41640088	-0.09917824	0.70767784	-0.43002787	0.2709259	-0.40581843	-0.7575979	-0.5915732	0.47980523	-0.29755104	0.4762807	0.24084638	-0.3707973	0.6438213	0.5653672	0.5217617	0.44844958	0.48539364	0.47412023	0.40500838	-0.21343172	-0.58147234	-0.7517592	-0.7685261	0.4899299	0.012057888	-0.19436845	0.4983112	-0.48177278	-0.21942802	0.053094935	0.014025126	-0.23615628	0.48893446	-0.49400106	-0.036681477	0.030564528	0.21712513	-0.3150489	-0.34278283	-0.999733	-0.30276677	0.6301412	0.21163025	-0.012695107	0.15306075	0.6645975	-0.5342149	0.4367608	0.1688762	-0.035444066	-0.18824579	-0.8211797	0.71302867	-0.7559565	0.97911143	-0.23040064	-0.49593207	-0.32487348	-0.06940798	0.5523734	-0.006994753	0.030154362	0.65407485	0.5496131	0.3056169	-0.36097443	0.7191712	-0.67112756	-0.012284366	-0.414616	0.8982796	0.7188384	0.6356041	-0.43965307	0.28352508	-0.15517989	-0.59170103	0.010382216	0.06708378	0.17473115	-0.27274343	-0.97334766	0.60561454	0.32253087	0.011598823	-0.61692005	-0.10300115	-0.11605094	0.7808082	-0.16526471	0.24912806	0.44680035	-0.4548931	-0.42576498	0.026788982	0.51506054	-0.27758944	0.30844572	0.3701939	-0.52366805	-0.59665626	0.9904772	-0.44027004	0.77288026	-0.5717498	0.19084384	0.39999875	-0.7759581	0.17687559	-0.74537903	0.7028138	0.99814016	0.19116029	0.14245409	-0.00628808	0.35500407	0.33743793	0.67308056	0.46688172	-0.6628571	0.07149153	0.9773125	0.30570018	0.051051527	0.50625944	-0.40218702	0.9999871	-0.9870435	0.016363448	-0.008152925	-0.11380286	0.16069981	-0.51041406	-0.123835266	0.8551931	-0.13691308	-0.73896664	-0.070426814	0.7261134	0.4648206	0.3777553	0.05142064	-0.47950134	-0.14363047	0.7088725	-0.3888005	0.30004424	-0.04657223	-0.966415	0.21365136	-0.67067224	-0.5907836	-0.315434	-0.12737943	0.13664919	0.23834218	0.21876182	-0.73063403	-0.2521411	-0.06722101	-0.36566588	0.63530236	-0.36217353	0.26263005	0.07365159	0.5977392	0.37587434	0.6105921	-0.21698588	0.114457645	-0.5174388	-0.62188816	0.70239276	0.22360443	-0.02495939	0.06049653	-0.7398153	0.23949182	-0.5021975	-0.5110006	-0.9547297	-0.6843049	0.10510967	-0.2620474	-0.35300738	-0.26809123	-0.14269865	0.9992768	-0.7102448	0.058096714	-0.2835354	-0.16735744	-0.81388575	0.7623234	-0.55522484	-0.56606287	0.625642	-0.251606	0.5208196	0.18988915	0.31229475	0.16024739	0.0000622	-0.3971491	0.11800061	0.99251896	0.43123266	-0.7547111	0.028894909	-0.010241064	-0.076335676	-0.16691568	-0.04528973	-0.37569138	0.018548815	-0.056706447	0.000298975	0.33602396	-0.40514594	0.38022402	-0.20199096	0.38326803	0.264567	0.15502428	0.39006048	-0.6236632	-0.61498755	-0.13703343	-0.2912906	-0.3027417	-0.27604505	0.13282812	-0.32770926	0.20024656	0.08168023	-0.09756853	-0.8228852	-0.24672483	-0.8670737	0.5535924	0.25437516	0.3289317	0.43697792	0.33175117	-0.2623922	0.09485473	0.999943	-0.23026986	-0.952514	-0.8467661	0.9991973	-0.7557745	0.3964744	-0.99888504	-0.42957178	-0.36957416	-0.81319666	-0.6424921	-0.58288026	-0.049944405	0.5214785	-0.34518114	-0.6115388	-0.24236488	-0.2983157	-0.65723264	-0.121156305	-0.6045895	-0.99994737	0.99570614	-0.6055696	-0.6177245	-0.28685257	0.04561244	0.69396937	-0.33903596	0.05442772	-0.20681727	-0.6309369	0.63767004	-0.16420425	-0.48741603	-0.59502035	-0.08578327	-0.625841	0.6792728	-0.39391983	0.20997909	-0.9998362	-0.19694522	-0.3792531	0.074837774	0.0979435	-0.6046266	-0.92721766	-0.09371464	-0.5028171	0.37345475	0.28576708	-0.35993114	0.5588959	0.9699298	0.0563312	0.55767494	-0.3223852	-0.35041103	0.43161324	-0.5616163	-0.30702817	-0.6216725	0.437317	-0.37950465	-0.7571283	-0.42379162	0.0584849	0.055775918	0.75306785	-0.53860813	0.49521434	0.25571194	-0.4589812	0.07824941	-0.24915802	0.98395777	0.27045977	0.45699152	0.16835962	-0.1636803	0.23192339	0.99997586	0.5988376	-0.65406656	0.2979071	0.32355857	0.38742834	0.16646908	-0.993006	-0.36932978	0.29503676	0.24718249	-0.2286967	-0.096097365
577	0	CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1	-0.8187349	-0.25446916	-0.36610976	0.018013228	0.50494266	-0.48181635	-0.012841206	-0.24989603	0.4662109	-0.1831112	-0.6646399	-0.20981665	-0.049655363	0.307145	0.41286582	-0.85093695	-0.3112548	-0.4254207	0.4290098	0.064683266	0.34055352	-0.30208257	0.5603928	-0.36784542	0.35838556	0.5261313	0.36384588	-0.2948945	0.34146738	-0.24118263	-0.1427784	-0.42747977	-0.5784768	-0.40555993	0.5480154	0.41383794	0.07173229	0.58979636	0.99927825	-0.19153646	-0.8904798	0.06956867	-0.6222447	0.15841562	-0.18686746	-0.06218946	-0.14896488	0.22059096	0.8902615	0.5913505	-0.2657352	-0.37696114	-0.4548731	0.23663004	-0.46261418	0.09644892	-0.5807903	-0.8586803	0.3226783	-0.18066148	0.40838996	-0.16234681	0.75728095	-0.4812606	0.49249324	0.4473824	-0.3906029	0.51138604	0.14164935	0.7724978	-0.8475373	-0.82952946	0.66370714	0.08268314	0.8792894	-0.24348456	0.12897912	0.64609045	0.009080484	-0.99951	-0.14038554	0.38538653	-0.9156525	0.029695595	-0.11747587	-0.92719483	0.5773432	-0.47217804	0.5989751	0.15801421	0.13953769	0.18060121	0.36319703	-0.5782745	0.9964174	0.09287333	0.36552858	0.5799338	0.34657848	-0.34153956	-0.58979946	0.000700187	0.11023645	0.93056506	-0.9978267	0.40037	-0.57218975	-0.27495018	-0.93949986	-0.63035244	-0.26735404	0.59358716	-0.6365372	-0.48917422	-0.6416263	0.5633442	0.5675785	-0.089998074	0.96908975	-0.28427932	-0.4017877	0.040739365	-0.3574368	0.66678923	-0.32474592	0.71214944	0.6767288	0.050241325	-0.046018347	0.9999138	-0.1280703	0.28380883	-0.52427465	0.20527351	-0.07381319	-0.9714581	0.60717916	0.39314455	-0.7110984	-0.26485845	-0.99997336	0.22522058	0.74322766	0.093163684	-0.21643807	-0.6551904	-0.12221493	-0.17197764	-0.97656494	-0.22901905	-0.6134017	0.31760186	-0.08400313	-0.4459809	-0.40120003	0.77670705	-0.043464325	-0.6517589	-0.7927094	0.4163886	-0.5170296	0.75673467	-0.41523236	-0.07361885	0.42897364	-0.19873163	0.20869926	-0.37414962	0.10434128	-0.4873902	-0.0719203	-0.16283664	-0.29306704	-0.18914084	-0.5656344	-0.940956	-0.46170714	-0.25387642	0.36159217	-0.2602986	0.3473382	-0.39998198	0.04381745	-0.12037793	0.28037113	-0.6695167	0.21990094	-0.30245656	0.60375637	-0.66477674	-0.82510984	0.028986517	0.250502	-0.3543113	-0.62060064	-0.30502176	-0.5461264	-0.78441024	0.15999669	-0.7525503	-0.28157273	-0.80018735	-0.15644732	-0.076737545	-0.36265618	-0.18018171	-0.11245364	-0.44747815	-0.23844883	-0.9998686	-0.027320338	-0.3879249	0.33211878	-0.53641826	0.14581324	0.18994966	-0.17117356	-0.57708365	-0.16966675	0.3518966	0.31478298	-0.6358141	-0.83297014	-0.16138048	-0.96747285	-0.060265366	-0.0886271	-0.20281617	-0.2480366	-0.2658758	-0.2511011	0.47495937	0.7790505	-0.66530013	-0.2770348	-0.025035558	-0.023222039	0.18852049	-0.015982388	-0.22777419	0.6538207	-0.35769364	-0.220715	-0.80261344	0.10587119	-0.60323906	-0.123764135	-0.5152023	-0.077170774	-0.37061995	0.5330794	-0.9741275	0.21762848	0.6169409	0.517223	-0.2550433	0.68904376	0.38916382	0.22449414	0.42200497	-0.42001763	0.7010854	-0.44229028	-0.05801118	0.54786485	-0.004874108	-0.32832518	-0.20715423	0.9143531	0.27258396	-0.3423456	0.9618579	-0.058597043	-0.4442006	-0.70805293	-0.8400653	-0.20328267	0.30415103	-0.82905596	-0.54439795	0.5501593	0.9953016	-0.52236754	-0.639487	0.172594	-0.4315841	-0.4861227	0.67750096	-0.76580185	0.056565978	-0.4512963	0.61119395	-0.56325334	0.4961751	-0.06982063	-0.8624859	0.9999738	-0.99360555	0.2217892	-0.15429296	-0.3810219	-0.03077498	-0.3551865	-0.5827356	-0.20607215	-0.7993984	-0.9842673	-0.22557397	0.94283265	-0.2474045	-0.6311678	0.5055513	0.2612252	-0.11484496	0.6182126	-0.18024425	-0.17305338	-0.5155736	-0.9661938	0.45683172	0.09019839	0.2642628	0.19391549	-0.121040106	-0.33064404	-0.26979724	0.69993687	-0.95001924	0.106125	-0.12948361	-0.75337875	0.2664399	-0.4878872	0.36496925	0.10009851	0.67737484	-0.3194812	0.42643285	-0.229819	-0.2268647	0.22642882	0.114701785	0.74698883	-0.33820933	-0.69407797	0.35150415	-0.14656818	0.023988647	-0.16177505	-0.9453059	-0.84786636	-0.34905085	-0.82792073	-0.27847534	-0.21131425	-0.81112385	0.2842604	0.99978423	-0.42643958	-0.6090968	0.028613655	0.26272473	-0.29306564	0.2728852	-0.94720083	0.741601	0.5859941	0.34754372	-0.2842714	-0.60060275	-0.3417447	0.18589701	-0.5181815	0.078596555	-0.13660093	0.9931727	-0.06906512	-0.25659847	-0.23893298	0.30555198	-0.18547623	0.6449099	-0.021625789	-0.24923205	-0.22871384	0.74033964	0.612988	0.25633267	0.7735943	0.26091203	0.4677684	-0.49939534	0.13701843	-0.04763781	0.5008746	-0.6906836	-0.20480607	-0.7298909	-0.06487559	-0.21249254	0.40562594	0.6846849	0.68652534	-0.24993022	0.5482497	-0.37743047	-0.3935701	-0.3516539	-0.3898911	-0.4402521	0.54335535	-0.10862183	0.08953443	0.77031076	-0.54011196	0.57365686	0.9999332	-0.17093155	-0.9501505	0.7542336	0.9998397	-0.28884792	-0.8308713	-0.9991328	-0.42086408	-0.5882412	0.54812956	0.19958346	0.5346912	0.24404587	0.41523653	-0.7053968	-0.007248215	-0.6580875	0.41506997	0.43207547	-0.028371006	0.79391503	-0.99998367	0.9963297	0.32094726	-0.33021173	-0.059694808	-0.6340487	-0.34591475	-0.8369637	-0.8966837	0.100808844	-0.29774106	0.11414181	-0.6548154	-0.34735888	0.67904216	-0.41942316	0.48394683	0.32166573	0.3438841	0.8860812	-0.99982643	-0.271043	-0.15883674	0.19350608	0.5507349	0.4617475	-0.9489395	-0.41008517	0.22957896	0.06102266	-0.4677097	0.2098244	-0.54265827	0.96442926	-0.74389887	0.34065428	-0.07645381	-0.29764283	0.12589018	-0.28928715	-0.122705795	0.7135261	-0.11378543	-0.6864125	-0.34220013	-0.51790595	-0.21265547	0.28348264	-0.5194189	-0.06466328	0.038453296	0.782535	0.10411591	-0.6940354	-0.120981164	0.9975098	-0.3694068	-0.33082092	-0.48568338	-0.5931244	0.6077459	0.9996589	0.63442445	0.38867787	0.54480594	-0.08008632	0.08435016	-0.62482065	-0.9964077	-0.6671077	0.1610518	0.5380488	0.64088434	0.61051726
578	1	CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl	-0.8483229	-0.59695476	0.49052894	-0.32729703	0.11637031	-0.6658423	0.53903025	0.28469697	0.16207688	-0.5914806	-0.5284094	0.5793517	-0.24179314	0.68829983	0.28002137	-0.5259733	-0.56839556	-0.856646	-0.13717502	-0.3387963	0.47208613	0.16577223	0.533589	-0.31402713	0.32342067	0.27657148	0.611129	0.16576546	0.20425937	0.24898951	-0.23861961	0.026283637	0.32646847	-0.3224819	0.782588	0.23513244	-0.66921353	-0.14452277	0.9976641	-0.27377087	-0.9977677	-0.17236781	0.62991273	0.15914634	0.21014597	-0.63630515	0.09885555	-0.18089814	0.4632981	0.4496736	0.10511813	-0.069077134	-0.17174713	0.22248334	-0.15117507	-0.12644656	-0.10553827	-0.5245689	0.016146958	-0.21086332	0.5150768	-0.13891004	0.18541029	0.42415428	0.34173432	-0.11863884	0.13607953	0.17365347	-0.53498864	0.016761163	-0.9596927	-0.9319572	0.22336383	-0.49841994	0.9056746	-0.18980046	-0.2787602	0.18328755	0.19590302	-0.9992737	0.15033042	0.054712612	-0.96410435	0.2499662	0.41518888	-0.9445037	0.06825971	-0.47434607	0.31420225	0.01630958	-0.46165967	-0.2864725	-0.7324432	0.47168803	0.9790835	-0.1938739	0.6567347	0.14767623	-0.25850064	-0.19210991	-0.02336948	0.56551135	-0.26456067	0.96916854	-0.9766818	-0.8036643	-0.57677466	-0.41541728	-0.89700156	-0.42345402	0.16048774	0.29425898	-0.21078816	-0.42976055	-0.2177984	0.3422418	0.45585567	0.04029334	0.98778313	0.40986702	0.16276374	0.83384377	0.2623993	0.2788386	0.0553377	0.4472995	0.688947	-0.3751206	-0.71494734	0.9998979	-0.49143687	0.38492617	0.25397602	0.11265951	0.1938989	-0.9967811	-0.32775337	0.1658319	-0.5728976	0.62533444	-0.9999776	0.79835105	0.8834878	-0.5035096	-0.108894475	0.12220512	-0.035286203	-0.7074218	-0.5521036	-0.048572235	-0.6610583	0.5994891	0.009993927	0.10709394	-0.21849252	0.40427876	-0.3254397	0.47495908	-0.6558499	0.5711978	-0.8008146	-0.19743025	0.16633007	-0.26913214	0.4202007	-0.062323574	0.23158328	-0.21100631	0.73767805	-0.07873662	0.02849485	-0.28301817	0.53398067	0.28872463	-0.015225384	-0.42918316	-0.2556347	0.5283955	-0.118430406	-0.107881375	0.24945892	-0.30847082	-0.4712311	-0.13877226	-0.5993046	-0.6288837	0.22010481	0.26882106	0.78188777	-0.64036864	-0.8451749	-0.2552454	-0.52664787	0.058897	-0.35674295	0.46380404	-0.14400397	-0.9065011	0.28957137	0.29145247	-0.3944246	-0.57200223	0.23659639	0.3206725	0.2717593	-0.42722163	-0.49109495	-0.65950793	-0.5529298	-0.99981886	-0.5472573	-0.6433383	-0.15682413	0.13771935	-0.15076298	0.63853896	0.052282214	-0.74643546	-0.072765164	-0.5031852	-0.4015657	-0.76516616	0.27916566	-0.5413148	-0.9676551	0.24488474	0.15083745	-0.124359034	0.23819679	0.22109781	0.43047345	-0.052796472	0.7737764	0.5139735	-0.22047472	-0.32266906	0.119433306	0.5196201	-0.6623516	0.43756342	0.8892587	0.37336874	0.22357497	-0.57132965	0.19645543	-0.017861089	-0.6474977	-0.67397624	-0.01830769	-0.06588392	0.26182833	-0.97796214	-0.25863343	0.48790136	-0.09396569	0.18734506	-0.27795383	0.6353544	-0.5466015	-0.563277	0.33144465	0.678543	0.26397654	-0.63084096	0.74045485	0.312304	0.17856866	0.64420676	0.78890735	0.17220381	-0.32323256	0.87593055	-0.31133652	-0.77793974	-0.22234163	-0.70799327	-0.22536106	0.22064494	0.16168249	-0.73375404	0.6367778	0.9989635	0.09535563	-0.10822358	0.28809065	-0.34936595	-0.44557154	0.4117096	-0.6281388	0.03952037	0.16601428	0.9501574	0.8285317	0.09229866	0.21285251	-0.121013336	0.9999819	-0.9888327	0.10580053	-0.40334567	-0.123998016	0.35843766	-0.720201	-0.19207153	0.70645785	0.12362053	-0.90997446	0.34774673	0.9231631	0.10039499	0.4559068	-0.69919133	0.1278349	0.085948266	0.72858137	-0.60004866	-0.11469779	-0.05620425	-0.98493636	-0.43270522	0.0364699	-0.07521588	0.5373075	-0.482292	-0.3090192	-0.52375716	0.36163393	-0.96100485	-0.1306749	0.17643833	-0.5915039	-0.29787955	-0.18212324	0.44461855	-0.2320226	0.51915216	0.29343864	0.17064285	-0.53557193	0.49142385	-0.17662042	0.043122593	0.39601263	0.023929605	-0.2709473	0.079673946	0.34655142	-0.07744579	0.19084144	-0.7992354	-0.9780637	0.2769586	0.38347673	-0.029009296	0.5057892	-0.39724222	0.5475815	0.99987215	0.028088389	-0.7616802	-0.50863516	0.3664081	-0.42557955	0.04947838	-0.7292886	-0.62409437	-0.33519304	0.047058523	-0.37793133	-0.2473319	0.16593559	0.74982965	-0.27796537	-0.3465348	-0.019984197	0.9951392	-0.2362861	-0.41427124	0.39491168	-0.36917335	-0.23723294	-0.3073046	-0.27846944	0.30446696	-0.55805624	-0.3176591	0.3563859	0.79372185	0.41884708	0.51574135	0.3983862	-0.47780213	-0.12298088	-0.20537193	0.6421408	-0.26000154	0.15308554	-0.5677866	-0.6676803	-0.27916926	0.07230588	0.6713817	0.75117964	0.11385469	0.2302111	-0.38694203	-0.30039415	-0.61161375	-0.47479123	-0.6700853	0.26178905	-0.42222145	-0.19378555	-0.037548874	-0.5757901	0.36554536	0.99997836	0.13075474	-0.98125744	0.24617879	0.9998718	0.2285662	-0.2782858	-0.99946547	-0.4907342	-0.5707518	0.007908313	-0.2697138	0.19472171	0.28787777	0.18751125	-0.42311984	-0.14707132	-0.28086844	-0.267811	-0.041332584	-0.16499099	0.8071781	-0.99998665	0.99672574	-0.09369003	0.42501345	-0.66858345	-0.5923602	0.56775314	-0.7868921	-0.77524203	0.34364125	-0.6081574	0.32038176	-0.48533276	-0.2058106	-0.634096	0.088987075	0.4444869	0.37226254	0.38968542	0.3920384	-0.9999323	-0.112122886	0.07822138	-0.11708056	0.56071246	-0.32890943	-0.96170306	0.15761209	0.09707846	0.09408461	-0.6075777	0.1420148	-0.2056698	0.97938514	0.38138688	0.8055808	0.29571325	-0.13413595	0.019283347	-0.4513517	-0.20861222	0.365127	-0.65597785	-0.36560103	0.97284526	0.4616633	-0.7905223	0.17800105	-0.00702846	0.12728387	0.26348662	0.6177032	0.669033	0.5237593	-0.03862829	0.991419	0.75991255	0.004911074	0.027685152	-0.1528363	0.7736718	0.9999691	0.07720024	-0.15524095	0.42924592	-0.17379755	-0.032420173	0.07568772	-0.9906093	-0.76114875	0.55665916	0.69871956	0.64799476	-0.23187713
579	0	CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C	0.8767367	-0.20319864	-0.6363089	0.47015294	0.6815593	0.088004686	-0.95232964	-0.2710936	-0.36031252	0.057007756	-0.1563399	0.63153416	-0.7222432	0.7034672	0.2992708	-0.84693503	-0.39395186	0.23445053	0.44256675	-0.07946732	0.5350012	0.56701237	-0.62088054	-0.474227	-0.3639769	-0.27092028	-0.52806264	0.37229097	-0.575128	-0.011617672	-0.061795805	-0.2691514	-0.335827	-0.3277319	0.39085987	0.6107533	0.19225477	-0.60046774	0.9968576	-0.7825581	-0.8340095	0.17898236	-0.36241034	0.13241924	0.034659702	-0.64337575	0.028181463	0.2858627	0.9826757	0.21655595	0.702207	-0.16913117	-0.08273071	0.031897143	-0.51495963	0.4969136	-0.6267503	-0.24702528	0.34095287	-0.09642698	0.8090352	0.16128974	0.4802152	-0.11383618	-0.3407697	0.64364433	0.28846037	-0.3416375	-0.07159521	-0.61355275	-0.47270563	-0.92192954	0.26955655	0.34532976	-0.38358074	-0.9031961	-0.10829407	-0.61834574	0.52156174	-0.9998301	0.7641848	-0.67974085	-0.94841254	0.23563021	0.21845216	-0.6989864	-0.42091855	-0.7060744	0.1839495	0.14057748	0.21202512	-0.14765497	-0.55409867	-0.5585905	0.9989408	0.46799642	0.18696615	-0.30492166	0.30135903	-0.6206892	-0.03695471	-0.217174	-0.57665175	0.64134866	-0.971949	-0.9679896	-0.34430543	0.17920047	0.9829563	0.095866	-0.0444463	-0.21955293	-0.57986593	-0.61212134	0.29595685	-0.39915806	-0.27018055	-0.21856211	0.9967323	-0.020794697	0.12239721	0.6622845	0.6068448	0.4566597	0.09387641	-0.0662725	-0.036092736	-0.71864116	-0.24903594	0.9987549	-0.31504628	0.06480684	0.457379	0.21882585	-0.21896882	-0.9916338	-0.5796358	0.14087541	-0.20914409	-0.52375937	-0.9966009	-0.36359376	0.70585054	-0.7681887	-0.4321279	-0.61799437	-0.33909798	-0.46525317	-0.6733845	-0.18044645	0.65912265	-0.87853634	-0.34717166	0.11054694	-0.027721448	0.45017266	-0.27711803	0.7782906	-0.7040552	-0.9542793	-0.87717205	-0.13748212	-0.24116075	0.48192397	-0.040946692	-0.65101933	-0.1612072	0.39395985	-0.48950216	-0.08772823	0.34810078	-0.19066846	0.41971982	0.22359031	0.14915125	-0.69631815	-0.21391274	0.038967352	-0.85292363	-0.009924878	0.0297771	-0.9268594	0.10627487	-0.22767991	0.62274903	0.53017855	0.55989575	0.30943412	-0.06642723	-0.7303625	0.2515777	0.09239204	-0.09004367	0.7075904	-0.69020087	0.6023921	0.09344885	-0.9205527	0.2683176	0.1522474	0.08166743	-0.23754166	-0.25543904	-0.54294974	-0.73398936	-0.30418324	-0.45432618	-0.7574553	-0.43012965	-0.9997632	-0.75387216	-0.5310256	0.102451995	0.69652367	0.6845379	0.24823505	-0.4992355	0.455365	-0.583712	-0.004970227	0.039523996	-0.4998544	0.5689902	0.37554398	-0.99209327	-0.14741649	0.076960295	-0.7928236	0.30825192	0.75125027	-0.6848676	0.46029127	-0.20454532	-0.5097817	-0.059484567	-0.22319318	0.48878095	-0.33719116	0.25075352	-0.5573035	0.79886776	-0.46593678	-0.053312637	-0.45703557	0.1484441	-0.87977165	0.5778134	-0.17584302	0.061065502	0.673456	0.57408935	-0.99790174	0.22118822	0.33795032	-0.2218046	-0.6119747	0.39119464	0.20351405	-0.35814047	-0.32480094	0.21734121	0.17754108	0.31856206	0.7867899	0.08486877	0.01946576	-0.6178526	0.5004578	0.50985575	0.09895555	0.34837094	0.9986536	-0.4246818	0.13769798	0.112955004	-0.7922371	0.49659488	-0.49399722	-0.040765002	-0.5220337	0.33911887	0.99731016	-0.6743971	0.060952023	-0.45972797	-0.42042294	0.4853423	0.7423694	0.835662	-0.7629931	-0.44042084	0.9814803	0.5509511	0.81944627	0.49330547	-0.6283855	0.99765915	-0.96413493	0.15470071	0.2954373	-0.40678334	0.6790603	-0.5015127	-0.25890934	0.5116955	0.5128439	-0.48628768	0.6737411	0.4658601	0.19862218	0.22535723	-0.026354551	-0.647561	-0.42864904	0.12944666	0.51374406	0.11505319	-0.06739492	-0.9999539	0.093767814	-0.5838053	-0.8200829	0.5281099	-0.8869596	0.38810378	-0.33448094	0.21542186	-0.37894678	0.39943632	0.5077337	-0.07181879	-0.55707467	0.46883118	-0.12437743	-0.15224487	0.19306144	-0.15864764	0.25423166	-0.054648355	0.5679042	-0.39851904	0.33791894	-0.38949633	0.13855575	0.3781241	0.40113822	0.27371457	0.81368047	-0.40440193	-0.5146918	-0.92799604	-0.43067497	0.043046825	-0.22450225	-0.778132	0.0674313	0.8661376	0.9998197	0.3293704	0.15979214	0.24102983	0.3731305	0.62629455	-0.8591024	-0.117695786	0.13412516	-0.27080336	0.19178586	0.7368778	0.6393448	0.20000254	0.61017364	-0.02506337	-0.46339238	-0.050775886	1	-0.18392302	0.45508033	-0.59849745	-0.057566762	0.003110726	-0.027786022	-0.08544895	-0.2567304	-0.6727716	0.2225237	0.28136936	0.3606988	-0.84540135	0.4154787	-0.44460338	0.062234588	-0.26930988	-0.14153695	-0.46594757	-0.893232	-0.2250692	-0.5977168	0.13955319	-0.38644215	0.64523286	-0.37189144	0.80769354	-0.43211365	0.80671996	-0.29551947	-0.24763115	0.06281615	-0.22196276	-0.046434354	-0.8043273	0.7149104	0.15642957	0.29430783	0.15115112	-0.062990464	0.99999976	-0.37175354	-0.9898132	-0.63822246	0.9985889	-0.6448211	-0.19403607	-0.9999296	0.034692615	-0.83195364	0.010368012	-0.5160506	-0.09861601	0.71689886	-0.5801422	0.28629425	-0.3390799	0.7969442	-0.6245172	-0.7903073	-0.1661461	0.072533675	-0.99993676	-0.9936428	-0.8524958	-0.16277511	-0.09653102	-0.48001498	0.47214097	-0.017640112	-0.2236624	0.50111645	0.4854505	0.10520933	0.22443962	0.20434377	-0.23522198	-0.79354775	0.9005385	0.61800444	-0.098970145	-0.09153399	-0.99984556	0.7624747	-0.2885319	0.81976604	-0.11856412	-0.7446194	-0.5790876	0.8114703	0.5227129	0.13398388	-0.29738265	-0.9002524	0.329542	0.95601976	0.18110652	0.25201666	-0.68420243	-0.35229632	-0.5014462	0.5057455	-0.044475704	-0.1227423	-0.6862698	0.5068274	-0.9857782	-0.38541836	-0.06965041	0.014824134	0.1120152	-0.1388811	0.038766786	0.6921795	0.5258938	0.16264226	0.18722796	0.96374345	-0.06450076	0.43982738	0.57834333	0.44064617	-0.030687567	0.9998584	0.87696606	0.19147766	-0.41124302	0.1448342	-0.511092	-0.085592836	-0.99114794	-0.5407925	-0.24412985	-0.13419342	-0.6358491	0.24742644
580	0	CNC(=O)N(C)c1nnc(C(C)(C)C)s1	-0.9078073	-0.33174175	-0.11531749	-0.24128965	0.36135477	-0.5652037	-0.56477916	-0.42419764	-0.5503532	-0.61633533	0.5073382	0.1687494	0.01152521	0.7181104	-0.07638031	-0.50102353	0.03635488	-0.050074406	-0.68104374	0.014065686	0.37816632	-0.11445232	-0.15524733	-0.514199	0.5245559	0.610533	0.30896726	0.508482	-0.028306017	0.48623377	-0.33738986	0.5666673	-0.2183753	0.013860265	0.10690163	0.48289037	0.2861371	0.38539705	0.9032885	-0.7514283	-0.98745567	-0.30315217	0.11961262	0.6289502	-0.032520074	-0.981346	0.17175588	-0.15169878	0.71145386	0.6423116	0.39082608	0.28607976	-0.3466368	-0.48634827	-0.21548383	0.26608786	-0.6835288	0.6455478	0.10468964	-0.09176747	0.47287068	-0.24400452	0.35351512	-0.05735217	0.439761	0.24691798	0.6246153	0.23871171	0.4227751	0.1897426	-0.9295658	-0.9987451	-0.01395657	-0.06832495	0.012124089	0.066441394	0.08809326	-0.3289101	0.82869923	-0.9998785	0.08818462	-0.14799568	-0.87566584	-0.009113302	-0.002915365	0.41356957	0.6906536	-0.42702016	0.11311699	-0.45085517	-0.060836438	-0.36892033	-0.5090912	0.3132395	0.9955073	-0.46813092	-0.47227043	0.08039102	0.6401359	-0.45301217	-0.32362995	-0.056338545	-0.052483935	0.22888626	-0.1758962	-0.9535525	0.48110774	-0.31366986	-0.9194979	-0.27600205	-0.10915762	0.1730889	-0.6519771	-0.77676904	-0.37419593	-0.1429264	0.6584061	-0.24013193	0.999433	-0.16436256	0.6259721	0.57899255	0.40445766	0.05435621	-0.21203083	0.16503488	0.5136748	-0.13715518	-0.13913442	0.9816393	0.3954279	0.57047623	0.12241675	0.28461674	-0.1847079	-0.9705186	-0.52266496	0.52615494	0.029616648	-0.6687718	-0.9989752	0.3603651	0.8785511	0.50855875	-0.12865318	-0.27267647	-0.043538604	-0.18016814	0.90084666	-0.6648061	-0.37432286	0.3966745	-0.30007103	-0.2744347	-0.6786788	0.21029572	-0.16290702	0.9929852	-0.121666625	0.29712823	-0.98793876	-0.277092	-0.070348494	-0.16688317	0.4259162	-0.29489794	0.355962	-0.19449548	-0.5832766	-0.05101173	-0.24489236	0.2541977	0.45313755	0.68304455	-0.2221939	0.19059101	-0.61456835	0.2673638	-0.36026382	-0.5270702	-0.46601528	-0.8796255	-0.1863317	-0.47338632	-0.44184858	-0.2503031	0.65535045	0.55237937	0.36882246	-0.6031585	0.44788983	-0.5019546	-0.29794097	0.25045115	-0.12920469	-0.22444092	0.26960498	-0.88605833	-0.059578944	-0.6621872	-0.04956521	-0.25162932	-0.4728506	-0.43857628	0.33020586	0.003697747	0.036133904	-0.000179743	-0.036406875	-0.9979191	-0.4528334	-0.4120026	-0.21951525	0.090829045	0.030671448	0.57705975	0.19787298	-0.8159984	-0.14787053	-0.07615315	0.43699494	-0.32118064	0.726708	0.13493052	-0.964654	-0.04304831	-0.11346068	-0.41687793	0.51879257	-0.13430102	-0.22001491	-0.47379735	-0.10017098	0.120661534	-0.558637	-0.032477275	-0.45592397	-0.3845679	-0.17206101	0.27689236	0.7021315	0.051776618	0.11425447	-0.39084405	0.086597666	-0.20879284	-0.24582238	-0.5045158	0.19090393	-0.2705405	0.8014049	-0.9984958	-0.7807333	0.2224962	-0.39744616	-0.25004253	-0.5766444	-0.08401546	-0.6146815	-0.596082	-0.063803054	-0.5700632	-0.6642781	0.29919052	0.47424495	-0.29399556	-0.489937	0.77312833	0.42928922	0.32453287	0.67157537	0.9318242	-0.5116993	-0.23719291	-0.14413016	-0.8984685	0.095907725	0.097233646	-0.36794373	-0.3878414	0.24859191	0.9996581	-0.56728023	-0.5258229	0.06511022	-0.4806591	-0.026513832	-0.569565	-0.6721067	0.16129763	-0.2628331	0.9989452	0.6772151	0.7970752	-0.25929284	-0.6251782	0.99839413	-0.7136313	0.3534851	0.10917116	0.010633906	-0.005882992	-0.37186855	-0.5773663	0.9110912	0.79316163	0.90375316	0.39753124	0.2333905	0.16639122	-0.053507797	-0.3282996	-0.45874196	-0.600642	0.41258928	-0.256955	-0.2184517	0.32151017	-0.9447004	0.40717107	-0.5049762	-0.023039501	0.5370546	-0.30588588	0.39942068	0.091829605	-0.086690545	-0.771054	-0.34906512	0.108517304	0.05499072	0.08196831	-0.3283968	0.0699368	-0.585	-0.86374664	-0.62183136	-0.2146563	-0.42027465	0.15000488	-0.17490976	-0.11907654	-0.10350127	0.5850519	-0.19146922	-0.10731261	-0.024868503	-0.5557081	-0.11002122	0.4977311	-0.99150705	-0.49032363	0.4505123	-0.003429936	0.533913	-0.4279647	-0.23909378	0.9997538	0.33405152	-0.55362123	0.33200034	0.1074281	-0.13877362	0.09665901	0.37176502	-0.45211473	0.095633	-0.22857197	-0.47381482	0.15355493	0.54121834	-0.43490392	-0.14640749	0.026803056	-0.22045463	1	-0.07804056	0.008939545	0.33742535	-0.2539243	-0.5274616	0.15012315	-0.21607326	0.36532557	-0.38980418	-0.26805052	-0.13605434	0.6837106	0.62389714	0.49300563	-0.45494506	0.4926563	0.5673442	0.06850025	-0.120128974	-0.6819117	-0.0836588	0.4162513	0.7915139	-0.47800595	0.4774326	0.25163445	-0.021098388	-0.25231668	0.13754894	0.23749875	-0.6180224	0.76116335	-0.41886526	0.33111396	0.5465962	0.33272284	0.008476232	0.30283675	0.31841418	0.23212382	0.99992865	-0.21651308	-0.9768067	-0.073999725	0.9995849	-0.33800742	-0.07030055	-0.99908996	-0.39196151	-0.12664993	0.6690506	0.05455837	-0.78098327	-0.15501787	-0.1418028	0.54293096	-0.3696533	-0.32708636	-0.32310364	-0.5880634	0.021707475	0.67488265	-0.9999856	-0.9973618	-0.978739	-0.51784015	0.08154084	-0.44501853	0.077583626	0.23333882	-0.8920818	0.16792646	-0.28658342	-0.20287825	0.84001356	-0.12823026	0.64573205	-0.0375568	0.73642004	-0.12817603	-0.0400013	-0.9456645	-0.99996793	-0.116970904	0.33350047	0.12967265	-0.12257178	0.3532817	-0.5611693	-0.107579224	0.009876913	0.22746325	0.28599095	-0.17335437	0.552609	0.96458286	0.3207623	0.8444104	0.60310924	-0.3810738	-0.89536613	0.029488731	0.20968898	0.45959443	-0.5893719	0.61497796	0.6677624	-0.35327494	-0.012130125	-0.2988922	-0.111827575	0.027221795	-0.38760725	0.64036477	0.056292336	-0.4331501	0.24137643	0.14278802	-0.40304002	0.6585931	-0.12320987	0.40764907	0.25699887	0.999856	-0.51715297	0.3813691	-0.123245694	0.34247607	0.16844127	-0.008643422	-0.91997623	0.28819448	-0.5471028	0.35108957	-0.26998058	0.13830706
581	0	CCC(=NOCC=CCl)C1=C(O)CC(C2CCOCC2)CC1=O	0.65429765	0.45971867	-0.50288373	-0.205205	0.79088175	0.6860346	0.5766693	-0.34378302	0.51411796	-0.3914843	-0.30209008	0.3110956	-0.53376484	0.18957499	-0.24036731	0.0375516	0.33301514	-0.50711876	-0.11190265	-0.37823573	0.41405138	0.46756697	0.18282393	-0.68002576	-0.66821074	-0.398985	0.23198502	-0.49521476	-0.12853576	-0.75256014	-0.10147016	-0.29728144	-0.47191268	-0.3513057	-0.05505523	-0.309181	0.55350256	-0.49553373	0.99829036	-0.48986098	-0.37402865	-0.33005175	0.18836597	0.11830989	-0.54610306	-0.07143444	0.44856322	0.20628561	0.99016327	-0.23722324	0.023452107	0.027539907	0.75245607	0.21783826	0.09048053	0.48399082	0.3990462	-0.16646619	-0.56334573	-0.3436938	0.246777	0.42904344	0.08020957	-0.6404146	-0.7410452	-0.69673914	-0.8159455	-0.6847947	-0.062513545	0.6298505	-0.87436956	-0.8560572	-0.32937673	0.6439851	0.5038104	-0.2559556	0.03947948	0.66710085	-0.52823603	-0.99988776	0.3615192	0.07919679	-0.22513792	0.043956302	0.39728627	-0.63473475	0.033137657	0.6830055	0.021577422	0.6465629	-0.6755784	0.7307848	-0.12621896	0.11927654	0.9996189	0.48371655	0.4150898	0.7508838	-0.08315684	-0.49582687	-0.02106182	0.16501783	-0.073279366	0.8476912	-0.99601394	-0.49463344	0.45346096	-0.34942672	-0.8146447	0.1653594	-0.37664688	0.39574125	0.2132266	0.25634283	0.36538208	-0.27380222	0.6536989	0.2125176	0.98053694	-0.3711811	0.40111732	0.71769494	0.47801644	-0.65090704	-0.5441466	0.26579785	0.24952377	-0.29295072	-0.5813256	0.99912715	0.6753862	-0.47375306	0.16489185	0.7753207	-0.046762045	-0.96787995	0.61898553	-0.037616912	0.3116127	-0.6415242	-0.9999473	0.84924227	0.80044097	-0.4748368	0.40047032	-0.78064173	0.27201718	-0.37516356	-0.9787088	0.20847121	0.32218438	-0.8773893	0.61303234	0.6990881	0.12819397	-0.5367546	0.44868323	-0.13783516	-0.62796026	-0.85780936	-0.76201695	-0.6627019	0.098707765	0.13296226	-0.3371495	0.3679327	0.15493518	-0.14194955	0.32206947	-0.36234966	0.41121635	0.030247742	-0.043410648	-0.060359366	0.60109633	-0.4673896	0.9315856	0.3811744	-0.13217977	-0.13130051	0.67578155	-0.91928804	-0.9098534	0.38201007	0.6809969	0.6055978	-0.58634835	-0.54956406	0.22057778	0.492644	-0.09834774	0.39531344	-0.103218906	0.029571716	0.29841673	-0.28125063	-0.50501055	-0.5125569	0.1604049	0.44913557	0.12097325	0.16892093	0.19872895	-0.2560196	0.35331967	-0.26880956	0.2269167	0.008268026	0.11811881	-0.9997958	0.54603237	-0.48574716	0.38716042	-0.033191495	-0.27785647	0.20894356	0.21398187	0.57830185	-0.5795097	-0.3325432	0.17866583	0.3933293	-0.6068077	-0.2506788	0.94218135	0.3981137	0.7810737	0.21500218	0.11349304	0.787271	-0.43550476	0.6470191	0.103514835	-0.43889835	0.6663776	0.1070551	0.08588379	0.22279039	0.6513713	0.077828094	0.8297054	0.53263426	-0.5484919	0.24593961	-0.77485883	-0.025210103	-0.46597773	-0.40409994	-0.5428655	0.20061308	0.059338424	-0.96610177	0.12939076	0.55902606	0.7520777	-0.73394644	0.41126987	-0.6371739	-0.5589046	0.5323513	0.73488945	0.6645499	-0.06800398	0.42277962	0.38333172	0.21345879	0.07947671	-0.14257447	0.838841	-0.7034861	-0.28731307	0.99988794	0.3987554	-0.5720568	0.35432687	-0.24798106	0.12790427	-0.2095088	0.5260368	0.6288406	0.62145936	0.9908753	-0.48199913	-0.53776807	-0.3159069	0.68321943	0.82203895	0.719029	-0.51862264	0.0599188	-0.08572687	0.9045111	0.27569354	0.48885658	-0.6843448	-0.6019125	0.9999248	-0.98362994	0.10440797	0.5978228	0.7021232	-0.5435845	-0.118407406	0.046414554	0.06269007	-0.7555473	-0.92385864	0.7129891	0.41143027	-0.4941143	0.2737001	-0.18316497	0.08952332	-0.24056335	0.18703789	-0.6312446	-0.6279281	0.37377256	-0.97982174	0.79657865	-0.23202564	-0.104087554	0.08492074	-0.84589374	0.60201675	-0.77797186	0.16978881	-0.6719847	0.32831514	-0.16171463	-0.20228504	-0.5176908	-0.5215056	-0.25032923	0.381928	0.26807866	-0.23440337	-0.29817128	-0.023895703	0.10280644	-0.6403739	0.4471535	-0.070671976	0.44244075	0.3655092	-0.15973035	0.23217241	0.6389769	0.62064636	-0.67421407	-0.82046473	0.5237213	0.14426392	-0.41963118	0.6556427	0.31538463	0.14582914	0.99981624	0.3015355	0.6687642	0.4178171	-0.21490508	-0.18982488	0.8166475	-0.6540034	0.07270785	0.74180734	0.6364323	-0.25712818	0.70165366	-0.21231595	0.7515999	0.40656292	-0.8147987	0.3095369	0.992373	0.16195334	0.34958127	0.2383223	0.028795399	-0.5064051	0.5031788	0.06991612	0.06110957	0.68185717	-0.4247904	0.2979886	0.21108113	-0.739523	-0.5775863	-0.060684573	0.30696085	-0.44180277	-0.8499814	-0.52010894	-0.7413972	-0.1175279	-0.68322885	0.094204694	-0.32790992	0.7282592	0.43494195	-0.5484285	-0.11235234	-0.293488	-0.22415638	-0.05921033	0.36448342	0.267995	-0.54382944	-0.028959837	0.5599726	-0.41427594	-0.52310836	-0.31082526	-0.37818632	0.99990726	-0.032222085	-0.90118617	0.1331813	0.9959379	0.61838186	-0.49454665	-0.9993158	0.60192966	-0.7464445	-0.2912028	0.05507694	-0.7044306	-0.1296683	0.56736946	-0.5332334	-0.169919	0.04392499	0.7414624	-0.027508808	0.624968	0.657343	-0.9997998	0.9900377	-0.44365636	-0.7277796	0.83729386	0.290467	-0.31561816	0.6272984	0.36717752	-0.23593985	-0.17686099	-0.2627653	0.01740397	-0.29562357	-0.8468566	0.18605183	0.5129443	-0.5744851	-0.13600618	0.5073882	-0.9992581	-0.20375761	0.3880433	-0.58289266	-0.009870319	0.3825974	-0.5384556	0.020428844	-0.8755307	0.09608223	-0.28237072	0.5454579	0.47894257	0.68670344	0.06525292	0.009113058	0.21694769	0.2987242	-0.14349417	0.40086704	-0.6053367	-0.45372736	-0.36911342	-0.072170556	-0.99747944	0.71015847	-0.32326576	-0.72076863	-0.14274144	-0.27099136	0.0748374	-0.744765	0.4037514	0.55340266	0.8065764	0.99403226	-0.5888488	-0.72811407	0.18157497	0.14399542	0.001225304	0.9996517	-0.11365543	-0.5753745	-0.24341643	0.363596	0.062835656	-0.45039687	-0.9991964	0.4786185	0.52795994	-0.05236646	0.21362539	-0.52333695
582	0	Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl	0.43009403	-0.4987099	0.19798441	-0.19799821	-0.16374288	0.003009284	-0.37838423	0.13471517	-0.18814369	0.25094965	-0.41081163	0.30612004	-0.32805648	0.6222847	0.524256	-0.5698537	-0.43116388	-0.7103519	-0.52352697	-0.27128997	0.62577593	-0.47670272	0.72145677	-0.0893096	-0.7080858	0.6509682	0.45325166	0.6398783	0.4223393	-0.5356637	-0.4693208	0.5608537	-0.42957634	0.13680214	-0.26823935	0.5506305	0.010626851	-0.26868564	0.93582547	-0.37652236	-0.98888916	-0.5302337	-0.36168656	-0.025084667	-0.33257395	-0.989917	0.088535674	-0.003348256	0.5634011	-0.055656992	-0.6502943	0.31614187	-0.022268258	0.11692405	-0.7936782	0.2893513	-0.6804444	0.46029353	-0.674489	-0.25777018	0.51641935	0.14174528	0.48832405	0.7012841	0.59534717	0.04389318	0.7049665	0.5211706	-0.10878757	0.27015793	-0.6724738	-0.9985601	0.21500914	-0.11358267	0.40138033	0.12673862	0.40367585	0.47321782	0.69117695	-0.9998568	-0.6667864	0.3360492	-0.90625834	-0.5304442	0.13691846	0.71261185	0.6765235	-0.31112054	-0.5248574	0.44500574	0.22498803	-0.16645153	0.22886893	0.15620726	0.98937535	-0.14579166	-0.59747565	0.29478246	-0.18605658	0.15158784	0.45972106	0.05095952	0.6436057	-0.7846196	-0.037043955	-0.8005952	-0.6457091	0.3802497	-0.9715677	0.13647212	-0.788648	0.70652944	-0.023247937	0.077571504	-0.6156692	0.67050767	0.031824186	-0.24945867	0.9996738	-0.6419728	-0.11859908	0.17545576	0.40065792	0.07193131	0.21488756	0.5944176	0.37029856	-0.001957645	0.23132388	0.99053276	-0.4567089	-0.4369467	0.49609324	0.49062943	0.81086344	-0.9721094	0.23508202	0.31027064	-0.8654275	-0.67537874	-0.998811	0.269412	0.9526095	0.29253197	-0.51346505	-0.033518262	-0.23258208	-0.35119644	0.9577355	-0.28939393	-0.34572005	-0.6516024	-0.31030786	-0.60723597	0.06951627	-0.14052936	-0.056124914	0.9946875	-0.7674723	-0.09425591	-0.99017656	-0.23069328	-0.2518547	0.3097602	-0.37749916	0.14189836	0.82757336	-0.21807948	0.21074946	-0.024875646	-0.9176294	-0.2985911	0.29135525	-0.28739828	0.044996854	0.14839968	-0.61873615	0.6595078	0.5043545	-0.1484689	0.20425966	-0.94154453	-0.44935885	-0.5644668	-0.5608239	-0.35733667	0.42975911	0.6796845	-0.3186695	-0.65948224	0.5483234	0.32961947	0.5848843	0.2888471	0.21412142	-0.35740843	0.1762823	-0.81417966	0.1770658	-0.5245405	-0.5755328	-0.260079	-0.44353268	-0.35952395	0.06933174	-0.24683532	0.5822748	0.65702134	-0.14379953	-0.9955319	-0.76446974	0.1534875	-0.1954873	0.2269916	0.15421668	0.4755403	0.46848693	-0.054471143	-0.5488246	0.646256	-0.27869698	-0.6754289	0.71033	-0.076497234	-0.90727687	-0.5952557	0.2981204	-0.1286588	0.5447852	-0.22857946	-0.4031392	-0.27599946	-0.029779099	-0.42376438	-0.69656473	-0.7271211	0.064716205	0.23589757	-0.4749578	0.4614546	-0.9704124	-0.33901456	0.3980817	-0.50713515	-0.5290479	-0.037796848	-0.40109825	-0.17528273	0.252854	-0.093944535	0.28118947	-0.9985051	-0.37775195	-0.26255876	0.26040438	-0.70231193	-0.15387672	0.37021187	-0.26421303	-0.06633664	-0.09905272	0.42589134	0.49753267	0.35740528	0.58805573	-0.06427928	-0.55652565	0.660755	0.35819468	-0.22890817	-0.28360906	0.91565245	0.4174854	-0.2950431	-0.17186077	0.07989387	0.09349489	0.26034164	-0.43030667	-0.833098	0.13736293	0.9996955	-0.73998404	-0.5866346	-0.19821571	-0.45487237	-0.06810717	0.03503271	-0.027467348	-0.15893464	-0.11416863	0.99908805	-0.014487257	0.9575901	0.14678958	-0.72969556	0.9992357	-0.77838063	0.100268826	0.15328182	0.10418614	0.18760675	-0.3619583	-0.4887919	0.5263518	0.63721824	0.96712196	-0.023777988	-0.57575566	-0.012050319	0.002136354	-0.4251163	0.43038377	-0.5501625	-0.3582177	-0.5044283	0.31991702	-0.2900624	-0.9533473	0.054321773	0.21613869	0.45608535	0.5993626	0.31295654	0.29519212	0.43538812	-0.62056524	-0.81775755	-0.18642558	0.47548172	0.4133155	-0.62664425	0.18992886	-0.17497917	0.2321064	-0.7806903	-0.25140974	0.67623156	-0.6629109	-0.21602552	0.03789637	-0.540315	0.29064775	0.04552844	-0.10914301	0.34580722	0.011476015	-0.49076268	0.42972875	0.56628007	-0.9920246	-0.45770782	0.08287874	-0.16537048	-0.09019916	-0.077463746	0.20655966	0.999685	-0.4101567	-0.32818976	0.01854558	0.5551284	-0.127541	0.49266163	-0.50277567	0.20588823	0.81949586	0.7012138	0.41196632	-0.27592218	-0.013683765	0.08803248	0.72136915	0.44269228	0.11304181	1	-0.5904559	-0.013213032	0.074498706	0.3158634	-0.8146325	-0.3830431	-0.6198932	-0.5298067	-0.31413743	0.6826901	-0.4933913	0.5329659	-0.027239759	0.8181594	0.018194929	-0.49285698	-0.32710585	0.14689742	0.031607267	-0.69743174	-0.06895669	0.19367129	0.9217054	0.6450055	-0.17654309	-0.066957034	0.3345214	0.28979495	-0.22156778	-0.45656765	-0.28608924	-0.6466412	-0.32949027	-0.33822533	0.12986208	0.18719609	-0.15145177	0.56001484	0.42848375	0.3607383	0.9998956	0.47210994	-0.9962331	0.4061733	0.99983084	-0.6076411	-0.24677029	-0.9989191	-0.79236954	0.6400632	0.7686858	-0.45337516	-0.363135	0.3034924	-0.42507556	0.42465767	0.006668297	-0.6844182	-0.40690222	-0.1461164	-0.21634978	-0.055958282	-0.9999944	-0.99765134	-0.99171734	-0.55722684	-0.5141565	-0.47861695	-0.48024938	-0.36204144	-0.9176767	0.5346396	-0.21128859	0.00296882	-0.1545832	0.08976261	0.033886496	-0.01741749	0.72859526	-0.023947336	0.48745912	-0.9501126	-0.9999794	-0.6326204	-0.55113953	-0.16029948	0.19723111	0.22015359	-0.61655986	-0.25822237	-0.023885205	0.15855922	-0.5575206	0.2707931	-0.038389117	0.8591248	0.4576986	0.8572158	-0.64790297	0.13672277	-0.42451498	0.15277842	0.38061094	0.5294427	0.1888469	0.48172238	0.4184548	-0.21759173	-0.5344916	-0.363043	-0.17624609	0.40875873	-0.27077147	0.7660003	-0.17832753	0.032320693	-0.40176302	-0.21994942	0.4686159	0.55572504	-0.31881964	0.69771236	0.1890031	0.9997137	0.5598695	-0.56171745	-0.03572413	-0.058717746	0.42568874	-0.40857577	-0.81752294	-0.55609715	0.08027201	0.58337873	0.69514483	0.2284386
583	0	CCNc1nc(Cl)nc(NC(C)(C)C)n1	0.010255902	0.42400128	-0.21053301	0.13900499	-0.12779273	0.38026813	-0.440687	0.10853695	0.15967605	-0.71118927	-0.48283833	0.09587673	0.2587805	0.7747063	0.21686333	-0.8066488	-0.6447028	0.5043895	-0.22014636	-0.03570961	0.3973907	-0.07322371	0.5165108	0.4948859	0.18584369	0.6458295	-0.22377457	0.34259468	0.13140336	0.28573695	-0.4766324	0.6591549	-0.61181223	-0.070419244	-0.3710199	0.5744954	0.10802212	-0.24814346	0.89843416	-0.887653	-0.9364699	0.6981023	0.16915181	-0.015588255	0.39722544	-0.984594	0.37146223	-0.08221767	-0.1226395	0.34309942	0.34122244	0.19028996	-0.3368995	-0.62452143	-0.7580817	0.1508984	-0.45775765	0.750406	-0.16652562	-0.11675881	-0.029885955	-0.23921864	0.3116618	0.035656143	0.12732512	0.43222398	0.5815584	0.18773025	-0.20958507	-0.18409158	-0.9665849	-0.99280983	0.74755067	-0.5757128	0.51988935	-0.24049889	-0.37275586	0.1323558	-0.227811	-0.997977	-0.26476687	0.4054659	-0.89324355	-0.03561105	0.53452957	-0.086098425	0.3628009	0.47329497	0.22247869	-0.42326567	0.12735917	0.07229463	0.50045663	-0.023085596	0.99132115	-0.3598666	-0.30867776	-0.23399873	0.16360967	0.02389725	-0.15766327	-0.080336906	0.3729511	-0.0644884	0.12673551	-0.98249143	0.14489317	-0.25400186	-0.9979946	-0.5123236	0.19119339	-0.13229482	-0.645121	-0.2476071	0.22582044	0.044516716	0.1864685	0.42355177	0.99930537	0.41802588	-0.042555436	-0.30201265	0.8640966	0.6299312	0.000304036	-0.32136497	-0.09307588	-0.079022706	-0.5793019	0.9942765	-0.8240339	-0.24462946	0.55072105	0.17472929	0.555231	-0.9463074	-0.781634	0.6146436	-0.17236845	0.5774935	-0.9975453	0.17565958	0.9207353	-0.19732325	-0.58278733	-0.20229469	-0.10211955	-0.35811573	0.94320005	-0.16538714	0.45534214	0.70862013	-0.56128365	0.05680331	-0.35317954	0.45605102	0.38248906	0.99326575	-0.6420712	0.88181347	-0.9831677	-0.08023446	-0.4923154	0.19342108	-0.3342954	-0.26361364	0.21351652	-0.1934561	-0.4618135	-0.49900496	-0.42809933	0.27076545	0.31902522	-0.4739634	0.01342501	0.6173802	-0.5552396	0.7667749	-0.8488446	0.44880107	0.52180797	-0.6926593	-0.22803815	0.22717851	-0.61524415	-0.26610777	0.7269677	0.47185925	0.13640916	-0.15180236	0.97092414	0.8852509	0.62478215	0.74350125	0.42987743	0.14753605	0.55522937	-0.7493718	-0.29509094	0.4185003	0.3103345	0.094920985	0.06705352	-0.4653284	-0.6126862	0.16353919	0.12769224	-0.29249826	0.8726668	-0.99474657	-0.37841207	-0.13058937	-0.293132	0.48873174	0.8293002	-0.3515871	-0.058451895	-0.68468225	-0.11748908	0.6684915	0.35851702	-0.83124936	0.49322638	0.1698707	-0.9376564	0.35618693	-0.04438836	0.33567145	-0.13543376	0.03187682	-0.27625608	0.34698534	-0.44691336	-0.58600634	0.21584418	-0.43493363	-0.44829667	-0.13283734	-0.18607327	0.06375563	0.9636462	0.5624083	-0.50284296	-0.12491565	-0.20605569	-0.596624	0.44735408	0.1562034	-0.42430574	0.4966903	-0.81035423	-0.99877685	-0.41221902	-0.021664497	0.04332223	-0.21853895	-0.11861071	0.3542106	-0.058293957	-0.67702025	-0.3544684	0.29273355	-0.018017042	-0.23963636	0.4917535	-0.302674	-0.68351716	0.114059314	-0.82927376	0.50880885	-0.08233398	0.77272516	-0.6878747	-0.108325645	0.23279652	-0.8322328	0.6331843	0.84014094	0.5539713	-0.14084278	0.45807534	0.9995563	0.116623014	-0.28639585	0.5019904	0.060151353	-0.32478237	-0.8965725	-0.96749294	-0.031877328	0.4786394	0.99875486	-0.5154003	0.89930534	0.59053737	-0.17502129	0.9979912	-0.8502612	0.322136	0.31839013	0.5595365	0.49434668	-0.52855784	-0.5344708	0.89761364	0.96506417	0.9337055	0.6506924	0.001179508	0.07128096	-0.3052984	0.31184703	0.47163725	-0.04901624	0.7596872	-0.081106424	0.32589638	0.002293506	0.9407876	0.55143994	-0.35900936	0.09144485	0.67688066	-0.73110515	-0.14555635	-0.453699	0.63682604	-0.5386399	0.37725967	0.2438813	0.060320236	-0.5786433	-0.3121355	-0.3299222	-0.054838315	-0.50321347	0.30529997	-0.25615358	-0.55266553	0.44638807	0.4221526	-0.30856395	-0.12351146	0.06773025	0.17030582	-0.41788882	0.57190055	0.018168699	0.18632933	0.61243963	-0.99206233	-0.36743057	0.37860677	-0.062498692	-0.39845452	-0.24217834	0.107762195	0.9988105	-0.029684631	-0.11462065	0.33920434	-0.28602242	0.111646175	-0.040904008	-0.03928683	-0.37429598	0.3282257	0.3739372	-0.39923713	0.17208925	-0.13492453	-0.005466475	0.49522176	-0.17146863	0.2416742	1	0.7019285	-0.112216026	-0.284003	-0.119990885	-0.17493609	0.1769144	-0.18989559	0.64782435	-0.13123956	-0.3546711	-0.6953285	0.1177277	0.110870466	0.70005906	0.00514083	0.03249113	-0.5152237	0.17533948	0.5101512	-0.65780365	0.43059596	-0.019829707	0.1296514	0.35456562	0.10713932	0.42168438	0.32677484	0.069018416	0.2119948	0.032638114	0.49913105	0.37552786	0.12049029	0.002923216	0.66797864	0.63305485	-0.0793478	0.7419223	0.6752187	0.124476306	0.95973116	0.5835798	-0.9275327	0.31095263	0.9970659	-0.1259785	-0.45219824	-0.97618127	-0.05532835	0.12661424	0.5280273	0.048387457	0.032167893	0.6349035	0.15999742	0.26728028	-0.5492851	0.33344397	-0.70214	-0.34663177	0.14154287	0.48664647	-0.99996257	-0.9979927	-0.9830458	0.41635144	0.54495794	-0.29387102	0.38053307	-0.22822532	-0.73224425	0.38383597	0.07667184	0.034584824	0.55265117	-0.49847883	0.3715989	-0.20972344	0.80715495	-0.10784036	0.05007171	-0.907758	-0.9999531	-0.25635394	-0.11315229	0.3536678	0.3188926	-0.14421818	-0.7060945	0.620235	0.6251824	-0.59886223	0.2922558	-0.27563354	-0.5348963	0.8556225	0.19444747	0.62183243	-0.35646594	0.050392117	-0.66555405	-0.50770456	0.18986689	0.36637625	-0.5104763	0.42594308	0.65826297	-0.63737273	-0.109688684	0.16280343	-0.34247446	0.01672	-0.59257185	0.58329844	0.15323572	-0.66560286	-0.24391161	0.24115194	0.018925382	0.1699654	-0.2623195	0.22331133	0.09820624	0.9999728	0.21558775	-0.06473749	0.6394852	0.2278158	0.46797237	0.1343822	-0.8307979	0.20357066	-0.96807283	-0.0758819	-0.46747062	0.17379478
584	1	CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C	0.5282458	-0.021569757	-0.5495832	-0.22854672	-0.076065324	-0.092130415	0.39396426	0.5355994	-0.25508416	0.57907283	-0.04036715	0.16876918	-0.32922706	0.16678734	0.20707376	0.18412955	0.27453014	-0.7242624	-0.5168217	-0.22060221	0.010937559	-0.29557347	-0.6265808	-0.14426236	-0.24274796	0.44810432	-0.39563692	-0.36226135	-0.29521108	-0.04772258	-0.72991425	0.021238042	0.7947513	-0.27298668	0.23012088	-0.38129196	0.63102627	-0.18714526	0.9994573	-0.16625744	-0.59333676	0.061426856	0.09458686	0.38567054	0.065508604	0.13998055	0.597063	-0.4151675	0.9953022	-0.30203617	0.2796472	0.50098646	-0.61586905	0.13898589	-0.76686525	-0.01737535	0.36597636	-0.313914	0.5503547	-0.331584	0.037527353	0.20826298	0.6288179	0.2649069	0.5577092	0.110939085	-0.10078072	-0.4774974	0.34563273	0.6756903	0.20681536	-0.4969101	-0.1931605	0.88880324	0.009309729	0.83798826	-0.7777653	-0.007557226	0.73651975	-0.99994135	0.10325919	0.09049522	-0.7990997	-0.47498038	0.48261765	-0.93123156	0.36166492	-0.3504674	-0.48798117	0.46136695	-0.49718252	0.6292669	-0.17604259	-0.07981205	0.9959243	-0.5213423	0.7463206	0.19885474	-0.6256491	-0.644672	-0.21072683	0.44130766	-0.1758724	0.9031926	-0.9987095	0.20389137	-0.2742296	0.25759855	0.96507347	-0.05463022	-0.1749236	-0.0817839	0.38342956	-0.68570024	-0.14546666	0.1315338	-0.58551925	0.7623248	0.9496199	0.51206803	-0.112585254	0.27567837	0.36571375	-0.08388068	0.39566135	-0.3043206	0.26071882	-0.25639164	0.19449458	0.9999151	0.30527017	0.32442892	0.4447635	0.22554652	-0.1668047	-0.99011034	0.35688588	0.010643045	0.27140212	-0.6233418	-0.99972147	-0.19340253	0.56064254	-0.37095878	0.09629787	-0.2557392	-0.396222	0.5196164	-0.9935087	0.68537956	0.20813362	-0.9229213	0.9004217	0.4617532	0.015984217	-0.018095681	-0.703071	-0.81795746	-0.52968615	-0.93338585	-0.6663414	0.032493975	0.2263377	0.006471824	-0.006589629	0.74128956	0.044244647	-0.5735129	-0.27441728	0.4138961	-0.55475974	-0.3786928	0.439744	-0.7456741	0.043888863	-0.98183644	0.8515491	0.38821694	0.13049461	-0.06258273	-0.2247005	-0.88223875	0.67932963	-0.3081678	0.35521793	-0.0593904	0.08164774	-0.6121301	0.35650182	0.44693297	-0.9159946	0.044857368	-0.45668337	-0.77924055	-0.10351466	0.097686216	-0.631643	-0.93864	0.49432856	-0.32377136	-0.012993253	-0.13152999	0.43476415	-0.5005429	-0.40262794	0.2347353	0.019307185	-0.8383028	0.31871262	-0.99996203	-0.33658254	-0.392756	0.05188024	-0.5869394	-0.19285807	-0.061305925	0.17888771	0.021983067	-0.19355822	-0.73962295	-0.36314854	0.2554922	-0.6809869	-0.4263059	-0.94267476	0.32929194	-0.21006538	0.10721986	-0.35667935	-0.011470367	0.27763292	-0.719923	-0.052559372	0.22467779	-0.27757788	0.45670274	-0.28553978	-0.25784743	0.060563177	-0.0740459	0.8975955	0.25350973	0.8103775	-0.2511691	-0.8291445	-0.32087275	-0.70011294	-0.099266864	-0.07258996	-0.6936163	0.22500227	-0.46343055	0.308404	0.54288054	-0.31618354	-0.5645399	0.35024288	0.09385594	-0.65355235	0.26108706	-0.37608063	-0.16717322	-0.37111238	-0.6516384	0.87446254	0.16814986	-0.5429364	-0.16458341	0.9475292	0.25684273	0.031682026	0.999138	0.4145947	-0.19642241	-0.5259056	-0.62503695	0.20434113	-0.83506775	0.6546688	-0.38735422	0.03732702	0.99168783	-0.17000893	-0.03372931	-0.031997267	0.22921316	0.4060807	0.9276668	0.26835656	0.25341958	-0.17112286	0.57141614	-0.3279172	0.34473485	0.5475864	0.77852136	0.99999297	-0.9955646	0.8898384	-0.17607038	0.17222789	-0.22075054	-0.10678039	-0.5997441	-0.87461203	-0.9871501	-0.98834383	-0.34124395	-0.21642387	0.64493465	0.5788378	0.1566614	-0.114366114	-0.79052097	0.043011714	0.6779881	0.21186765	-0.06582053	-0.99988383	0.1513921	0.4894595	-0.14566271	0.48549458	-0.70023936	0.045033008	-0.13615307	0.03811938	-0.830068	0.3700477	0.4355036	0.058224227	-0.6741135	0.66264683	-0.08684843	0.19999139	0.7509356	0.34650823	0.27044332	0.5959256	0.4723458	0.7196735	0.13033755	0.87139416	-0.04539072	0.1271348	0.78007865	-0.16125199	-0.47054905	0.3115649	-0.92805606	-0.83309734	0.19060066	0.3004091	-0.34884	0.49106145	-0.14643317	-0.46654308	0.99930567	-0.013282378	0.036431402	0.41794416	-0.04847297	0.43357563	0.7234671	-0.89744806	0.6753749	0.030347716	0.5119288	0.13949555	0.45698085	-0.6477104	-0.34468037	0.327317	-0.18416479	0.40231138	-0.99994487	0.42303824	0.12620755	0.36698875	-0.3557093	-0.21107303	-0.47018784	0.001432004	-0.08204653	0.44995773	-0.18062694	0.18504049	-0.27918726	0.17063193	-0.8359711	0.39460593	-0.036634017	-0.5768523	-0.23017041	-0.012708765	0.36159652	0.3078102	-0.31572026	0.5622046	0.18094939	0.62770283	0.33515745	-0.58194613	-0.007210218	-0.21029602	-0.6551005	-0.4110941	-0.46626323	-0.13565858	-0.063720845	-0.27351588	-0.48942193	0.13999899	-0.16368079	0.27649584	0.5135716	0.9999994	0.35310748	-0.964776	-0.10154989	0.9982077	0.051010445	-0.14791316	-0.9999357	0.5493593	-0.7210552	-0.40389037	0.3477414	0.07428413	0.730082	-0.26013315	-0.8049779	-0.16376092	0.27576825	0.5328877	0.6157608	0.27774692	0.005528471	-0.9998968	0.9999999	0.24646513	-0.41579932	-0.08845214	0.7946046	-0.26719147	0.12355991	0.9086615	0.25816765	-0.43613914	-0.018834602	-0.20595111	0.1266774	0.5331373	-0.5542917	0.3601153	-0.27972654	-0.21170369	0.8222007	-0.9993441	-0.4759682	-0.2548546	0.49486095	0.44140038	0.34057125	-0.836337	0.001818253	0.008661375	0.40987617	-0.38458437	0.6353029	0.11489878	0.3422501	-0.09666331	0.72404027	0.5460827	-0.186726	0.25434214	0.45524034	0.2760201	0.116390474	-0.27680507	-0.67213535	-0.9898232	0.12551111	-0.14449689	0.71448034	-0.504895	-0.19159217	0.45569843	-0.96768725	-0.30504286	-0.33851895	0.1198441	0.99877554	0.59351826	-0.12890135	-0.74410766	0.23687194	0.6626813	0.9999832	0.20662804	-0.34422773	-0.1122366	0.318417	-0.48272756	-0.34379607	-0.9993261	0.5301394	0.041420646	0.25932744	0.7413055	-0.19816056
585	1	FC(F)C(F)(F)OCC(Cn1cncn1)c1ccc(Cl)cc1Cl	-0.22502369	0.4115343	0.20204633	-0.37991107	-0.09701373	-0.3659989	-0.20944813	-0.42882636	-0.08726675	-0.4777853	0.119432904	-0.59123045	-0.39418656	-0.040014155	0.74178004	-0.80737406	-0.45742694	-0.28453928	-0.4966965	-0.44799635	-0.2646818	0.033601813	-0.2905944	0.13926515	0.4187641	0.080875866	0.44611275	0.09140167	0.70856506	-0.14235286	0.3072547	-0.005913002	0.50757235	-0.046308696	-0.067130834	0.7016676	0.2590692	0.13376997	0.9980456	-0.73642516	-0.06539368	0.42619166	-0.24776904	-0.18945003	-0.8640941	-0.46478483	0.10134815	-0.3135194	0.94961005	-0.48082012	0.64925534	-0.039238587	-0.50574774	-0.41203183	-0.5979178	-0.3344789	-0.43103537	-0.14418902	-0.22223927	0.44431737	-0.6600582	0.063598335	-0.07540854	0.3060475	-0.72249776	0.11797075	0.5534907	0.16464029	-0.1677943	-0.112709425	-0.85928315	-0.681365	-0.051862247	-0.028319413	0.64465344	-0.71477395	0.2568967	0.24826425	-0.30266088	-0.9994952	0.32841852	0.094508424	-0.94020414	0.4225109	0.4174642	-0.8682003	0.051870156	-0.5031773	-0.5828776	0.73742217	0.5998987	0.5692543	0.008164167	-0.001649149	0.9871875	-0.00723774	0.47786754	-0.66612995	-0.4731571	0.53247845	0.1589492	-0.56019515	-0.450271	0.94909513	-0.9874672	-0.8769224	-0.59282607	0.55041635	0.9777095	-0.2212287	-0.17240551	-0.117679864	-0.56263417	-0.2476707	-0.064715035	0.60745174	-0.023223579	0.86369026	0.988869	-0.38435495	-0.52871764	0.08500192	-0.04518992	0.30769747	-0.44805154	-0.20409356	-0.37541887	0.43394345	0.03159681	0.9995962	0.8153981	-0.1226332	0.60891205	0.1423401	0.12943117	-0.9923733	-0.23289576	-0.5234225	-0.1497925	-0.34315094	-0.9998235	-0.475157	0.9181198	0.29111162	0.54849243	0.6568231	0.018051123	-0.2983833	-0.9140481	-0.30889428	0.050731707	-0.7783305	0.08093486	0.42812052	-0.37740368	-0.27141812	0.4188283	0.3506	-0.27786392	-0.95708543	-0.7429094	-0.41883275	-0.5722985	-0.68555534	-0.59720683	-0.19646429	-0.5185703	0.03993947	0.120370984	-0.62497354	0.04410214	-0.029172316	-0.44514367	0.21951355	0.30187386	-0.29036877	-0.7161292	0.53560656	-0.2212041	0.8469292	-0.2715911	-0.17935655	0.17705141	-0.41972485	0.45064786	0.48376912	0.37902576	0.59955376	-0.716594	-0.14530316	-0.4231727	-0.5214307	0.07521572	-0.18601899	-0.5393066	0.41159043	0.50075436	-0.7706556	0.5020087	0.70090437	-0.43685573	0.248478	-0.5558961	-0.73470306	0.095013596	0.08256567	0.67453283	-0.21862002	-0.5537487	-0.99991566	-0.07530473	0.54217714	0.2560396	0.23702756	-0.7521776	-0.038903955	-0.040666666	0.38003662	0.34206024	0.008872388	0.383058	-0.025483744	0.60283756	-0.07859103	-0.9818027	0.37378746	-0.12534037	0.18811119	0.6132124	0.5106348	-0.505612	0.11946948	0.050812878	0.722022	0.65563065	-0.20411342	0.7608739	-0.56963456	0.55853	-0.6332554	0.8872649	-0.038508892	0.2829225	-0.22942913	0.001477052	-0.44952023	0.18033046	-0.33218586	-0.55235296	0.8030739	0.22159722	-0.978022	-0.14354247	-0.059142593	0.08776329	-0.29454216	0.1264037	-0.03355026	0.1425126	-0.7061816	0.48965606	-0.6075894	0.40965143	-0.12415681	-0.25269985	-0.39464328	0.08919272	0.32002515	0.9309443	0.07604904	-0.15451987	0.9990288	0.29595083	0.7058113	-0.3312133	0.7494844	0.042367805	-0.7355633	0.16218767	-0.7791273	0.500621	0.9961856	0.080206804	0.648352	0.30738363	0.64515346	-0.018047512	0.9154992	0.85614824	-0.5924085	0.05992985	0.96313304	-0.36314487	0.19065821	-0.10618753	-0.6424447	0.99989927	-0.9919168	-0.18673903	0.63748777	0.4057306	-0.1719458	-0.11601725	0.29797757	0.7819717	0.32028228	-0.9336959	-0.16863795	0.7498849	0.5096953	0.19464709	-0.45635307	-0.21588324	-0.07440256	0.79338735	-0.1961348	0.10352962	0.63582903	-0.99992645	-0.41787663	-0.68517303	-0.20219299	0.5280037	-0.34317574	-0.18706085	0.15048099	0.17836466	-0.37605372	-0.38584334	0.064121135	-0.63656086	0.21740846	-0.50786984	-0.02498278	0.053570516	0.7822022	0.00216311	0.7745563	-0.43518826	0.22010188	-0.3830634	-0.4830665	0.36921564	0.113163404	0.5879421	-0.22026205	-0.7260153	-0.1753276	-0.47585788	-0.53368556	-0.9167766	-0.13556767	0.7351479	-0.10363194	0.13912593	0.8880592	0.6583407	0.99985325	-0.7257791	0.051907353	-0.6409347	0.31541035	0.40575236	0.4244692	-0.6733525	0.059892587	0.6868144	-0.055235032	0.3662773	-0.27258375	0.19644204	-0.38593903	0.024299843	-0.44122759	-0.08015696	0.9918576	-0.60003066	-0.6958858	0.36888525	0.08848312	-0.18810889	0.025543332	0.18160263	-0.253807	-0.009023051	-0.19329938	-0.56032693	0.5349436	-0.07281128	0.024779122	-0.13573323	0.678402	0.23197363	0.5289237	0.35040355	-0.7774393	-0.2561395	-0.43118316	-0.20157781	-0.6505345	0.30457965	0.18998495	-0.022658342	0.429424	0.48049402	-0.023396315	-0.69382834	0.14880282	-0.2932918	0.38426864	0.34406593	0.053298626	0.3929556	0.000754759	0.53567505	-0.37797263	0.9999997	-0.40021494	-0.96966815	-0.4185756	0.9990153	-0.88090616	0.733743	-0.9999288	0.49428287	-0.64610213	-0.65102243	-0.64428234	-0.53656495	-0.30809575	0.25830257	-0.28638092	0.12632342	0.1498265	-0.78755426	-0.55243146	-0.50355774	-0.38295928	-0.999973	0.9951046	-0.45907378	-0.17234685	0.12247384	-0.22137927	0.6310605	-0.36658207	0.11298797	0.039308812	-0.4188201	0.6822309	-0.3945677	-0.01986807	-0.79099	-0.14788474	-0.39084145	0.2830009	-0.47545177	0.31857878	-0.9995863	0.59143126	-0.01996798	-0.43984342	-0.15330635	-0.11116143	-0.8954994	-0.1950766	0.05582928	0.16939624	0.3387702	-0.31160143	0.37223852	0.95213807	0.14960778	0.32438573	-0.2946938	-0.16791824	-0.09391587	0.13750105	-0.5908782	-0.5503113	0.053178303	-0.22062162	-0.8978094	-0.24838959	0.20764948	0.3733886	0.22804706	-0.52322704	0.582119	0.6516385	-0.4219862	0.75255674	-0.025758576	0.9947528	0.5600396	-0.043635447	0.35220578	0.2895465	0.28775936	0.9996579	0.8029605	-0.32815254	-0.24055605	-0.23620519	0.037185438	0.6083881	-0.99662834	-0.08341227	0.36063385	0.54693294	-0.5471203	0.06894825
586	1	CCN(CC)C(=S)SSC(=S)N(CC)CC	0.75431234	-0.034363374	0.17288008	0.13419794	0.09966113	0.2784739	-0.27182877	-0.44555014	-0.63895744	0.29839548	-0.8209554	-0.8119705	0.33077213	-0.16764721	0.5185161	-0.2916676	-0.907231	0.15558484	0.6199489	0.108245894	-0.062025934	-0.442701	-0.39304778	-0.4752085	0.11476858	0.2062064	-0.5743275	-0.08029889	-0.6390982	0.36486828	-0.027897608	-0.5014438	-0.2702577	-0.83969206	-0.31495336	-0.28997236	-0.41452238	0.35496658	0.97601813	-0.647792	-0.98662245	-0.65120935	0.54501003	0.61869735	-0.07910167	-0.93437916	0.68372524	-0.076195545	0.99651015	-0.46574298	-0.11822811	-0.7782775	-0.70054555	-0.23533921	-0.112908825	0.0792772	-0.31700695	0.57006145	-0.74878615	-0.003714419	0.08042217	-0.052340403	0.11398736	-0.36504886	0.03581884	0.77300555	-0.76846856	-0.14398682	0.5134206	0.39814016	0.44742212	-0.9350221	0.085316114	0.72556406	0.50867087	-0.93028325	0.49769515	-0.2127703	0.76195395	-0.99980587	0.38197488	-0.11015921	-0.4033982	0.5332648	0.45482624	-0.063722596	-0.43560776	0.013097554	0.58595395	0.6564159	0.7414649	0.6182122	0.31895113	-0.8093159	0.99245095	-0.03732856	-0.63863087	0.62008667	0.11051761	-0.44155777	-0.3358196	0.5211526	-0.091536656	0.25942093	-0.6149344	-0.31846163	-0.22690924	-0.028754262	0.9903709	-0.4881208	0.76148945	-0.17923686	-0.72538364	-0.9026172	-0.7240199	-0.32174134	0.29625154	0.31612587	0.99827963	-0.36108539	-0.3125812	-0.035896383	-0.19802141	0.2731544	-0.60376096	0.1809631	-0.013120944	0.4396028	0.2869438	0.9983452	-0.15403982	0.22322303	-0.22946027	-0.8047818	0.051667903	-0.9441939	-0.46162367	0.006371147	-0.37959427	-0.7563382	0.99955165	0.7387935	0.95410514	-0.694567	-0.05346449	-0.4502308	-0.41804782	-0.67235494	0.27317473	-0.6328085	-0.3863226	-0.7916112	-0.003124726	0.44490102	-0.045665715	-0.18361156	-0.12740235	0.97992283	-0.8563935	-0.9643562	-0.8725089	-0.5181246	-0.33948553	0.005608269	0.54093194	-0.41419733	0.2858301	-0.12596439	-0.2514161	0.57658845	0.17402852	-0.8840625	0.17577274	0.52367723	-0.6439739	-0.64667434	-0.77892226	-0.11720353	-0.5615373	-0.029659575	0.4401121	-0.18574415	0.32782406	0.39286223	-0.29126993	-0.42716277	-0.6005652	0.46312258	-0.10588199	0.061615404	-0.25657898	0.31726658	0.7384797	0.83317006	-0.4717033	-0.2925275	-0.5881843	-0.85792816	0.037760723	0.5676788	-0.26607266	-0.1771644	0.8203708	-0.6971023	-0.46009696	-0.102500826	-0.22768885	-0.648722	0.19109592	-0.9995411	0.122640684	-0.40759614	-0.80954397	0.8605385	0.52756673	0.056992915	-0.69577146	0.19176705	0.2283391	0.81088984	-0.28720304	-0.5151817	-0.48710018	0.38259178	-0.9908581	0.48044983	-0.12991162	-0.43869665	-0.082774356	-0.17213249	-0.8035237	0.30170947	-0.59839296	0.5324722	0.086957626	0.25626454	-0.2340656	-0.13605067	-0.20813712	0.71392345	0.74752355	0.11498211	0.008980941	0.43691418	-0.81249076	-0.6333206	0.77392346	-0.47287002	-0.7757807	-0.4515307	0.81360394	-0.9998586	-0.49854136	0.15346049	0.25161844	0.1565959	-0.052728377	0.003730462	-0.5682507	0.040736035	-0.11454565	-0.17959377	-0.35802525	0.005218789	-0.6968389	0.39500248	-0.08156476	-0.42604506	0.60160875	0.24336006	0.74927795	0.99800706	-0.61862725	0.76283675	0.55806434	-0.9647982	0.7876321	-0.86373806	-0.7265731	0.6205764	-0.05893036	0.9978229	-0.37509388	-0.77822083	-0.86288846	-0.5294449	-0.78762037	0.92748797	0.89127445	-0.73112726	0.5393152	0.9975584	-0.09697865	0.68075967	0.8166646	-0.38283753	-0.9991262	-0.92275345	0.4366219	0.35927838	-0.4990845	0.38751343	0.32232362	0.47755545	-0.5350303	0.33976528	0.810788	0.6912753	0.48247898	-0.15704325	0.103661716	-0.26177898	-0.8539563	-0.111250475	0.8561709	-0.16270894	0.38010758	0.17823616	-0.99993366	0.34521845	-0.2835892	-0.35293922	0.129162	-0.22690038	0.5383636	-0.9077231	-0.6488252	-0.6855514	-0.16599599	0.44645613	0.03294681	0.22682616	0.2154616	0.74324024	0.22819808	0.12463507	0.5236386	-0.92540026	0.56281346	-0.50890124	-0.54488796	0.22159177	-0.40991777	0.44849935	0.11081117	-0.17369208	-0.41711444	0.78549725	0.3228114	0.44073346	-0.9686092	-0.4349761	0.25398117	0.55291855	0.70280033	-0.7009286	-0.28684464	0.9998819	-0.71585184	0.02801299	0.19760579	0.12637751	0.5682934	-0.5472068	-0.16018902	-0.69469786	-0.2467416	0.63780355	-0.4754336	0.83992845	-0.71961	0.15530345	-0.6364226	0.48486522	0.12170099	1	0.41719016	0.28139102	0.21639468	-0.7269932	-0.4966216	0.07352569	0.63558346	0.8125568	0.21170597	0.39442292	-0.6629295	0.7273879	-0.063362285	0.11168083	-0.5144491	0.4245241	0.44484687	-0.3433837	-0.46311018	-0.97572523	-0.040554926	-0.8458527	-0.57678944	-0.8224126	0.19609568	-0.46965638	0.18916985	0.6903775	0.74158245	0.16994551	-0.32259125	-0.030564513	-0.23859914	-0.35813233	0.37894812	0.5256938	-0.11892155	0.3604116	-0.38800687	0.6456891	1	-0.6490523	-0.86285305	0.5406517	0.99875206	-0.4015298	-0.49075556	-0.9999722	0.30425292	-0.8518651	0.068205684	-0.8708315	0.13442297	0.38773942	-0.23645362	0.3242853	-0.05782595	-0.070653275	-0.66050684	0.06475058	0.6593785	0.48369825	-0.99988693	-1	-0.9792662	0.77099544	0.8010775	-0.658061	-0.5166001	-0.032193754	-0.6731253	0.79577345	0.904925	0.462108	0.4607579	0.41983652	0.38536748	0.23802722	0.2759015	-0.45478845	-0.54062563	-0.80196404	-0.99966013	0.13289256	0.91650367	0.68237066	0.5279411	-0.19112757	-0.9380721	0.34881687	0.66243136	-0.4159908	-0.20777634	-0.08696974	0.3495107	-0.88070965	-0.77339524	-0.41658342	0.69179654	-0.76345885	0.42439386	0.22422113	-0.13052885	0.47847202	-0.66782707	-0.2019911	-0.99814856	0.001122159	0.7361409	-0.347174	-0.20600086	-0.08679506	0.7514915	0.5686134	0.8446555	0.59384423	0.08528709	0.7479454	-0.39705148	-0.11908301	0.4278812	-0.7355425	0.51000476	0.99990135	0.47567528	0.14757839	-0.060328145	-0.2285569	-0.73113567	0.39875594	-0.9739689	0.04762517	0.36256352	-0.31740633	-0.2146408	-0.2607796
587	1	COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O	0.78019965	0.61817026	-0.01833045	0.11612615	0.44584778	0.07657599	0.35491467	0.42000064	0.13189222	0.06541894	-0.8193613	-0.27845475	-0.5632064	-0.1450122	0.31220797	0.51271677	-0.2689037	-0.38855377	0.21354678	-0.30131945	0.0816282	-0.56652975	-0.24581765	-0.054420933	-0.39350614	-0.6947676	0.42379597	-0.6756724	-0.3208532	-0.3051583	-0.44260216	-0.71816903	0.35785913	0.015390963	0.172536	-0.5378032	-0.47839478	-0.06405863	0.9994464	0.18258014	0.24696842	0.6049983	-0.52001756	-0.20780024	0.48781818	0.42127427	0.36078456	0.08787551	0.97359055	0.29369792	0.40185037	-0.5825754	-0.07317808	0.31255367	-0.30716184	-0.67492646	0.60833144	-0.47231904	0.3681436	0.23492248	-0.6178815	-0.320672	-0.18478708	0.22989954	0.6229506	-0.2921815	-0.34636357	-0.57277566	-0.37628305	0.34958985	-0.7933956	-0.95072305	-0.12826924	0.13894165	0.0763985	0.3085103	0.1269543	0.34134924	0.35394236	-0.9998682	-0.74336225	-0.56461555	-0.9223962	-0.42366284	-0.19804253	-0.7992347	-0.027786862	-0.53490305	0.2261644	-0.79004633	0.51106435	0.24937022	0.73794603	-0.48463294	0.9991674	0.50348264	0.20031783	-0.002339489	0.8634651	0.45317355	-0.058302633	0.47425997	0.09871276	0.990041	-0.998445	-0.77796954	0.4831455	-0.7989154	-0.9995471	0.14358008	-0.3784539	0.16356298	-0.015066555	-0.06181704	-0.57106465	0.3541321	0.4732728	0.36335215	0.93291736	0.3939608	-0.124657944	-0.61305696	0.08397088	-0.34580758	-0.7082971	-0.43587872	-0.0437514	0.6094478	0.10190402	0.9992365	-0.37853655	-0.1938387	0.33516708	-0.5597077	-0.31663027	-0.4269604	0.07183725	-0.34803456	-0.7076326	-0.26268038	-0.9999347	0.22663447	0.14463629	0.17018145	0.03220218	-0.77775055	0.39985588	-0.29187784	-0.9945059	0.690392	0.4854855	-0.81091017	0.6070575	0.7830537	-0.032609086	0.56826305	0.11877518	-0.8244645	-0.7201509	-0.73019	-0.3733458	0.4712144	0.78007615	0.007744288	0.000690542	0.5947216	-0.25506932	-0.67350006	0.57515204	-0.29183048	0.20286198	0.53854924	0.67815536	-0.64019907	-0.002456869	-0.93230677	-0.2683635	0.56370026	-0.5074599	-0.4394916	-0.26268575	-0.9850203	0.54049975	0.29229727	0.81837523	0.25784835	-0.7366429	-0.034993608	0.10230383	0.5235234	-0.52939016	0.548391	0.29001376	-0.58440906	-0.2295379	-0.057982948	-0.4082296	-0.3289517	-0.10407445	-0.06637671	0.077816635	-0.7515584	0.39285725	0.23656084	-0.43154123	-0.72405475	0.5836174	-0.60569084	-0.11378095	-0.9999541	-0.24570978	0.24852382	0.018032495	-0.20944312	0.095180504	0.046817496	-0.20143387	0.4500244	0.29280242	0.03879677	-0.7654403	-0.61716926	-0.3293436	0.109781735	0.99995583	-0.7260813	-0.7211874	0.7467388	0.0697539	-0.23107007	0.6253411	-0.2803466	0.28927603	0.23882407	-0.18442003	0.45587754	0.12786222	-0.30700696	0.17662361	0.4585211	0.8748701	0.75639737	0.65085566	-0.2256106	-0.06315889	0.42091715	0.4283142	0.10156832	0.1199221	-0.76000607	-0.07335867	-0.9757664	0.43776473	0.8702244	-0.35087222	-0.36473757	0.5301727	-0.5474053	0.59010446	0.10954145	-0.3091089	0.4832964	0.49648422	-0.5999391	0.63719136	0.444298	-0.20681384	0.15081955	0.087342314	-0.35969448	-0.25082	0.99815845	-0.40619388	0.07959758	-0.19678783	-0.5475021	0.15890567	0.40089235	0.5947381	0.5760317	0.2800153	0.98197657	-0.43849555	-0.061397556	0.23303579	-0.25712124	0.4416196	0.1302419	-0.708601	-0.5323364	0.3478329	0.5931831	-0.20405535	-0.7019557	-0.16150191	0.4385297	0.99995154	-0.93970126	-0.004074093	-0.3518238	0.098803334	-0.27587867	-0.73695457	0.5073591	-0.09573142	-0.9182491	-0.9965583	-0.002177827	0.91149473	0.19653293	0.5474519	-0.030497555	0.36238042	-0.555154	-0.40174234	-0.18234013	0.10718014	-0.50424856	0.8544752	-0.018150236	0.14801681	-0.2972076	-0.520996	-0.71790165	0.13093051	0.60647666	0.56746495	-0.49052817	0.03838408	-0.68223	0.001594795	-0.077498674	-0.7185855	0.07856189	0.045169502	0.027200822	0.39790508	0.2989328	-0.18591641	0.34752795	0.6081735	0.75647753	0.01901211	0.42373496	0.21362734	-0.32611445	-0.3405323	-0.65893847	0.378155	-0.9119505	-0.60165596	-0.38076094	-0.6471555	-0.005463359	-0.29592344	0.6380431	0.46640566	0.9996222	-0.39465764	0.6632167	-0.0865627	0.6753416	0.15789434	0.52318925	-0.8554894	-0.45185035	-0.37393817	-0.20744497	0.13275896	-0.39665353	0.3689541	0.22683814	-0.18461758	-0.33961996	-0.20556289	0.9891588	-0.14311546	0.17015702	-0.22294967	-0.48330122	-0.23413031	-0.31093302	0.6951073	-0.5165015	-0.04339181	-0.5976359	0.6769413	-0.34307867	-0.7169817	0.108005084	0.18475081	0.42877933	-0.48480302	0.21297637	0.47001284	-0.6989936	0.29805908	0.12094081	-0.87062764	0.7077837	0.94771725	-0.7268656	-0.15069333	-0.67057604	-0.28581786	0.59493905	-0.2926078	-0.39964086	0.12895368	-0.23310062	-0.4018395	-0.20923257	-0.06966936	-0.68905425	-0.6035333	-0.42683095	0.96557343	0.29874656	-0.9704212	-0.27678174	0.9985538	-0.048794247	0.15362586	-0.98638564	0.36453325	-0.84916425	-0.90551656	-0.29800636	0.38629988	-0.17514805	-0.06288686	-0.10351034	0.11143575	-0.41646674	0.50727147	-0.6917003	-0.2492602	-0.3205733	-0.99978566	0.9959385	0.56338483	-0.22206835	-0.2228782	0.744724	0.15499558	-0.34629503	0.5290887	0.16084644	0.40269879	-0.036218327	-0.3931755	0.42774913	0.18469411	0.3766162	0.3631899	-0.48839548	0.016098868	0.90569955	-0.9989645	0.39963293	0.683126	0.19762038	0.56721526	-0.58578473	-0.021016184	0.6175419	0.01951841	0.58148956	0.13664621	-0.17429096	-0.5615095	0.96993494	-0.24698071	-0.7497252	-0.0346926	0.21919623	0.29172853	-0.20883694	-0.47064087	-0.044495672	-0.5997941	0.40256208	-0.96727425	0.334867	-0.35756427	0.13028346	0.5191844	0.18800274	0.4856461	0.31371	-0.34489375	0.68039566	0.35446104	0.99960274	0.33692276	-0.31932676	0.2951561	-0.70521826	0.7326624	0.9999955	0.49318308	-0.4134901	-0.58931845	0.066578075	0.35648307	-0.08293327	-0.9993272	0.20032944	0.69901353	-0.4533329	0.3119335	-0.8768063
588	1	CC(C)=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C	0.9352531	-0.010726003	0.45442027	0.38716593	-0.034526076	-0.4041443	0.17278968	-0.006838875	0.2553664	-0.6239974	0.60431755	-0.7176435	0.34485582	0.79698557	0.1916401	-0.47259712	0.3269511	-0.9218516	0.24717365	-0.5943926	0.48674658	-0.11244019	0.5310806	-0.28982776	0.5653662	0.29341397	-0.21198675	-0.27962065	-0.60331696	0.22092716	-0.056484107	-0.28279132	0.38165456	0.015840953	0.08007544	0.08438146	0.29915735	0.39437577	0.999382	0.42927647	-0.92584985	-0.3682352	-0.19517386	-0.43189716	-0.63977826	0.04577274	-0.0729559	-0.6897139	0.98885274	0.3208874	0.3138533	0.81558764	0.33882064	-0.2043224	0.31102657	-0.18088643	0.34064436	-0.81967056	-0.010363431	-0.3311183	0.45099026	-0.85573536	-0.37390488	0.44870967	-0.45926145	0.5822162	0.55760485	-0.59693444	-0.122631945	-0.11598548	-0.3310427	-0.95538986	-0.5633301	0.8311642	0.22113292	-0.06279004	-0.022793366	0.16006735	0.31462365	-0.99997604	-0.51159745	-0.13139124	-0.6898356	0.4425796	0.25719744	-0.63143045	0.08152552	-0.541278	0.7532563	0.5262258	-0.37805024	0.26996982	0.39317292	0.6342181	0.99908113	0.115487315	-0.042492185	0.23408547	-0.5161994	0.5244769	-0.3177408	-0.109337494	-0.174185	0.88843006	-0.99804705	-0.10673424	-0.8823351	0.26327583	0.9803194	-0.17123947	-0.3212286	0.78899944	0.33825538	-0.42367306	0.14157575	-0.044199534	-0.8095284	-0.063660406	0.9697923	-0.69908726	-0.29516685	0.023589564	0.25931042	0.2134507	-0.35452026	-0.17581718	0.18576995	0.30994487	0.26468766	0.99828184	0.7412008	0.41955152	-0.35958982	0.6793505	-0.09049414	-0.9750649	-0.09590242	-0.23050122	0.52216023	-0.44038674	-0.99990106	0.53013206	0.24829978	0.5742388	0.5141879	0.6249618	0.06304304	0.45641866	-0.98168117	-0.3449292	-0.29977158	-0.78673375	0.11908353	0.07970774	-0.5575777	0.34691742	-0.096700504	-0.5265991	-0.8116503	-0.96939015	-0.5522229	0.82656103	0.35704756	0.62418336	-0.110001884	0.038897406	0.35399055	0.6761034	0.56997687	-0.42611718	0.16310346	0.7254053	0.11579136	-0.29706448	-0.2749989	-0.85961235	0.9023886	0.11506524	0.7909384	0.46023852	0.67115915	-0.982476	0.19294932	0.23836379	0.38481852	-0.07482825	0.44118536	0.13097452	-0.07297968	0.028078187	-0.89227235	0.56026477	0.314319	0.25075424	-0.22603628	0.11254577	-0.43134215	-0.8516975	-0.02985875	-0.22106208	0.09583628	-0.6053118	0.45760673	0.34958574	-0.7250582	0.7355548	0.13022459	0.2576084	0.85299516	-0.9998928	-0.749063	-0.57369953	0.22194748	-0.6996311	0.14522563	-0.50531787	0.6557109	-0.7162225	0.028777191	-0.051862877	0.1799641	-0.13595457	-0.044284306	-0.3933792	-0.9638186	0.5138213	0.4687332	0.66119987	0.12246118	-0.56159216	-0.62241143	0.2937653	-0.08257477	0.29457265	-0.6960014	0.24711226	0.87991345	0.055051364	-0.2907643	-0.30321097	0.8147458	-0.18716286	-0.19304071	-0.2365212	-0.7781065	-0.10871325	0.12117029	-0.42115662	-0.5747485	-0.65241665	0.5918432	-0.80627	-0.048971064	-0.031043425	0.28113168	-0.50944555	-0.52154714	0.0559565	0.500707	0.10362998	-0.10606782	0.06895145	0.20391314	0.05785998	0.07449699	0.3009768	-0.46754888	-0.10303865	0.96465087	0.39785758	0.001042075	0.9967977	0.41318822	-0.37132052	-0.48312485	-0.20441967	0.4670568	-0.8603628	-0.44291824	-0.67974526	0.26611212	0.9938522	-0.05233469	-0.43123895	0.6351554	-0.36395615	0.2812724	0.81013703	0.7026232	0.46951452	-0.5077979	0.76451284	-0.048332334	-0.2610441	-0.58234537	-0.032447495	0.99999726	-0.8318987	0.21772516	-0.23978451	0.073182665	0.26103973	0.46346363	-0.45836374	-0.6223377	-0.21854453	-0.9782965	-0.011465736	0.6259762	-0.4470764	0.4473879	-0.6153122	-0.19792481	0.25680572	-0.45522147	0.17622718	0.8330115	0.71387416	-0.99993837	-0.50462365	-0.7156935	0.8476114	0.054769866	-0.11025511	0.5078748	0.6432311	-0.48536205	-0.65028584	0.19741178	0.6120733	-0.17260075	0.13377246	-0.082598165	0.32205006	-0.16113035	-0.23592697	0.106929965	0.61620086	0.33014333	-0.38528112	0.17774779	-0.36934707	0.41322985	0.3603916	-0.26997876	0.46940154	-0.117611855	-0.13185275	0.16592059	-0.88948137	-0.79808706	0.21835636	-0.20169154	-0.05308155	0.37573943	-0.32830086	0.31299612	0.99952507	0.19976474	-0.040236305	-0.21068059	0.023362393	-0.031896133	0.7393028	-0.42559835	0.8257355	0.3494826	0.86410457	-0.56847554	-0.5397629	-0.8365627	-0.38511008	-0.34561327	-0.40131062	0.12711702	-0.97508115	-0.33077672	-0.35081667	-0.0827259	-0.6990114	-0.39855382	-0.3832261	0.15472047	-0.4826515	0.28746516	0.001404385	0.407868	-0.097687654	0.42432505	-0.5256727	0.4448949	-0.6360522	-0.05951799	-0.1954635	-0.044906113	-0.51653713	-0.15532613	0.17391898	-0.35220647	0.030981064	0.9385143	-0.42250657	0.22789335	-0.48602074	0.1367514	0.28247422	-0.58837426	0.04160262	-0.16538113	-0.5845485	0.078861356	-0.20293984	-0.46967766	0.12363204	-0.6101932	-0.24357274	0.9999997	0.25838286	-0.8272496	0.5164036	0.9991695	-0.08443164	0.1862761	-0.9999513	0.30885875	-0.8508213	-0.32184044	-0.29643673	-0.23685062	0.2262584	0.44297096	-0.18617792	-0.46431595	0.30317813	0.6397067	-0.3954784	0.31313336	-0.79710627	-0.99992806	0.9999979	0.024697546	0.03296687	0.24880563	0.2411705	0.022515517	-0.16050015	-0.6206229	-0.13318208	-0.37792116	0.24723452	-0.08983468	0.7576899	-0.45971355	-0.37387204	0.21442337	0.6163831	-0.3932157	0.7720376	-0.99956334	0.42357	0.6216947	-0.63723326	-0.073193386	0.2700793	-0.14821577	-0.0636188	0.14807102	0.33683154	-0.108671635	0.3671011	0.30642858	0.20936419	-0.70421433	0.11543398	0.45296246	-0.3597711	-0.4384305	0.37927267	-0.22696382	0.14713897	-0.6858288	-0.5232842	-0.9468846	0.31482923	0.203336	0.6306992	-0.25601295	0.07537196	0.22571716	-0.79465413	-0.2860683	-0.379589	-0.38363326	0.9971724	0.72453606	0.010978526	0.051881548	0.28753597	0.18665741	0.99994254	0.029928628	-0.13536254	0.4103256	-0.48388326	0.57149285	-0.6040854	-0.998489	-0.3879113	-0.049050473	0.3629559	0.79626113	0.24632576
589	0	O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1	0.8253423	0.2340549	0.12072171	-0.14220805	0.46267378	-0.218983	0.45587033	-0.033315763	0.6457459	-0.1991631	0.3226538	-0.24735844	0.03599693	0.03272504	-0.21865138	0.6273606	0.23902951	-0.03774961	0.33280283	-0.29112566	0.46468696	-0.6452134	0.667504	-0.41304588	0.44394046	-0.1375154	-0.22917974	0.73382646	-0.6996146	-0.1144106	0.019997707	-0.42782536	0.18999222	-0.12894888	0.11309803	-0.6770373	0.45196682	0.08585539	0.98795223	0.25951043	-0.9874173	-0.55164874	-0.56797045	0.21230167	0.12826641	-0.9531749	0.43657365	-0.2829889	0.6706521	0.05708364	-0.36199212	0.25990835	0.11637386	-0.27653956	-0.016119916	0.22794864	-0.24600421	-0.014123721	0.020127427	-0.21349062	0.09577869	-0.6634101	0.13148329	0.30705723	0.31825948	0.70349073	-0.019220728	-0.15351997	0.30524948	0.065064795	-0.53530127	-0.9997881	-0.08808855	0.58659434	-0.7207015	0.5285468	0.12275412	0.6371224	0.37409073	-0.9996368	-0.89730734	-0.5096869	-0.82596296	-0.20177156	-0.3730837	0.7341494	0.9161582	-0.49352685	0.13464078	0.012317242	-0.34914276	-0.40705356	0.3564217	0.086037435	0.9998146	0.029446755	-0.9352412	-0.28106713	-0.5205567	0.61875534	-0.240167	0.276764	0.5831021	0.86131096	-0.8435666	-0.6189152	0.087596744	0.1740881	-0.9456718	0.34588718	-0.14521968	0.83048993	0.14150284	-0.4146511	0.07798585	0.32588035	0.3510515	-0.5105908	0.99863225	-0.36776736	0.16800104	-0.5023709	-0.30024284	-0.14571518	-0.55458945	-0.14603949	0.046743475	0.55206335	0.5348689	0.94863373	0.39699125	-0.15817268	-0.33646086	-0.5927808	-0.28792644	-0.84388953	-0.01907048	0.1378448	-0.4254515	-0.77013755	-0.9999925	-0.22042476	0.08153297	0.013302942	0.64856696	-0.40295222	0.2287092	-0.26964968	0.44679013	-0.32936245	-0.57151216	-0.074982405	-0.55498874	-0.49732727	-0.47626135	0.3496653	0.25005737	0.89611286	0.04894264	-0.0886397	-0.9662639	0.82353425	0.5143851	-0.4327077	0.8242556	0.40080383	-0.5657248	0.6838916	-0.37674752	-0.06356902	-0.2194966	-0.27847803	-0.14399447	-0.054866638	-0.14063232	-0.94654536	0.53148234	0.18373394	0.3901292	0.68807924	-0.10555181	-0.99881476	-0.52470416	-0.030625537	-0.2791857	0.012287599	-0.13481623	-0.6553056	-0.18607818	-0.040961985	0.17012765	0.33646384	-0.17987104	-0.50412595	0.5316144	-0.41030422	-0.5780188	-0.773587	0.2395297	-0.298079	0.077074155	-0.27073	0.4842507	-0.0740671	0.563277	-0.006309533	0.35527223	0.7508493	-0.16582459	-0.9990758	-0.1992339	-0.1581062	0.028955055	-0.80979824	0.025926111	-0.24136546	0.19129114	-0.20553717	-0.02985031	-0.044155635	-0.22061431	0.4475732	-0.09735762	-0.2731179	-0.8545929	0.5117262	-0.51705444	0.55334544	0.12245696	-0.105851166	-0.7358515	0.14064872	0.58314794	0.094509274	-0.6832776	-0.105015025	-0.29804617	-0.1378185	-0.55677164	0.32700208	0.65767	-0.5935467	0.63848346	0.040095396	-0.3122455	0.7709058	-0.29358184	-0.20368394	0.2404808	-0.740906	0.4819346	-0.7926245	-0.7189898	-0.47358868	-0.009568029	0.107628115	0.38013473	0.5967298	-0.108312614	0.014185307	0.47567317	-0.018301882	0.50942814	-0.5519054	0.38870057	0.59162223	-0.052395705	-0.2583405	0.18952504	0.24468207	-0.3575645	0.2082382	0.3131237	-0.46672368	-0.45680517	0.946033	-0.23946962	0.28678018	-0.42611274	0.5769802	0.040549695	0.99946034	-0.37344813	-0.7338294	-0.22386956	-0.29374102	-0.108635396	-0.639195	-0.68058383	0.000950411	0.4613504	0.99312735	-0.6378826	0.15109022	-0.69422764	0.054765746	0.9999995	0.089384384	0.4150737	-0.7340885	-0.63864994	0.26258808	0.33154893	0.18220551	-0.39192227	0.19534151	-0.014160981	-0.4988299	0.3063984	0.14447346	0.22832304	0.5613452	0.41142392	-0.024672916	-0.8824372	0.032754403	0.65936846	0.18650196	-0.98228157	-0.07108412	-0.77735597	0.081828795	-0.003415709	-0.1817179	0.36251235	0.013798762	-0.7922041	-0.41602418	0.09846232	-0.1954224	0.65567255	-0.3053758	-0.117877655	0.2830437	0.40689504	-0.9740065	-0.44911242	0.68897665	-0.44019854	0.25934014	0.63878155	0.11311863	0.14296122	0.45622623	-0.6213385	0.59049225	0.154901	0.26190957	-0.43029422	-0.24236609	-0.9824854	0.52140397	-0.10368679	0.06001306	0.37878802	0.2742419	-0.18540771	0.99857986	-0.2930577	0.8406434	0.30759603	0.18173881	0.71138525	0.42481118	-0.11028401	-0.18877023	0.1485845	0.36386523	-0.6552041	-0.4191684	-0.663733	-0.8336818	0.14485282	0.35186458	-0.30654204	-0.90999967	0.039893962	0.75192624	-0.4632975	-0.4704358	-0.5167189	-0.6200593	-0.09444683	-0.65654624	-0.58286726	-0.007758247	-0.22822124	-0.28864738	0.6855425	-0.5202746	0.13705494	-0.81489587	0.06868441	0.42711672	0.113861755	-0.3075742	-0.07960987	0.5649473	0.27403644	0.7408887	0.9651312	-0.4513803	0.49037576	-0.34096056	0.22584419	-0.58256656	-0.6890468	0.26390234	0.14116603	-0.10470762	0.30792585	-0.39314547	0.083825104	0.20457561	0.009955077	0.053586975	0.9999802	0.46817657	-0.95097315	-0.035556395	0.99965763	-0.6534549	-0.033465482	-0.99896175	-0.56803197	-0.37114006	0.34472358	-0.15867747	0.17551059	-0.08286664	-0.052155655	0.9419672	0.43822843	-0.33885178	0.1288018	-0.49785742	-0.33908883	-0.18411346	-0.9999967	0.9999982	-0.8978321	0.5093041	-0.74104893	0.78817093	-0.22731581	0.24130553	-0.7901139	0.1758733	-0.6787738	-0.066978075	-0.12572365	0.28195795	-0.04848167	-0.5842569	0.036283333	0.5586456	-0.45169887	-0.73450845	-0.99997526	-0.35019374	0.12814151	-0.24591814	-0.46474403	-0.3810475	0.64022017	-0.20411418	0.62017155	0.5573146	0.26648328	0.73873854	0.53826624	0.66585064	0.0842945	0.7688791	-0.015999598	-0.33818078	-0.51897246	0.68858707	-0.4113115	-0.38398674	-0.18548097	0.7354928	0.59869784	0.44483626	-0.28496784	0.48088294	-0.49447018	0.40692684	-0.15392673	-0.5094378	-0.78213334	-0.5859015	-0.7079234	0.88241047	-0.18105023	0.6816689	-0.84041774	-0.36405846	-0.4746212	0.9999744	0.33881903	-0.039584666	0.53860635	-0.81680083	-0.10637563	-0.53156847	-0.9680001	-0.29941443	-0.6494076	-0.44135132	0.81302845	0.27263552
590	0	Cn1cnc2c1c(=O)[nH]c(=O)n2C	0.6665139	-0.2588754	0.37435243	-0.060491916	-0.19558178	-0.35362154	-0.031284608	-0.6869173	-0.3784713	0.3746985	0.11247633	-0.6243656	0.53771484	-0.27469367	-0.11532503	0.7076256	0.3221627	-0.04191148	0.12850787	0.16672555	0.24697128	-0.6499734	0.026910266	0.30613357	0.027157502	-0.13897873	0.7845296	-0.1799917	-0.71972656	-0.2338729	0.38600767	0.3305037	0.10401249	0.15564352	0.35900593	-0.19182643	-0.21826375	-0.05580041	0.79969275	-0.32529655	-0.97220504	-0.63732433	-0.4540667	-0.35504088	0.6003006	-0.9929291	-0.24775068	0.27776057	0.78489	0.33646268	-0.47393525	0.04420531	0.1967112	0.41940024	-0.67871374	0.3722862	-0.6276104	0.8458705	-0.7254085	0.2943839	-0.06340143	0.669865	0.6270879	0.45887113	0.5717414	-0.14292449	0.34877104	-0.56924933	-0.49576417	-0.089148164	-0.4903016	-0.99996233	0.63864714	-0.33363518	-0.82959515	0.59044456	-0.15743183	-0.5069526	0.81104666	-0.99998236	-0.6164327	0.06432551	-0.9748888	-0.23605733	-0.57911944	0.95170873	0.7975454	-0.78716624	-0.09310674	-0.15090312	0.17964153	-0.5607629	0.45965	-0.42158395	0.9971398	-0.46465185	-0.94818753	0.004381283	0.38396114	-0.086401716	-0.28470573	0.30632487	-0.19822273	-0.7752641	0.53666323	-0.96997166	-0.1799666	0.53119314	-0.97335416	0.4081991	-0.6064342	0.419898	0.27486575	-0.25724584	-0.15977357	0.05824478	-0.3504717	-0.57716155	0.99974513	-0.678603	0.4356861	-0.74828404	0.3915905	0.24953768	0.1403254	0.15832889	0.30651402	-0.26042935	-0.53678364	0.70115167	-0.36568096	0.2630132	0.1394715	0.41154218	-0.31836045	-0.8513966	-0.040265135	-0.53495765	-0.7430623	-0.78492284	-0.9989291	-0.13407539	0.7530629	0.611628	-0.12281508	0.6221001	0.7601799	0.49438995	0.9480904	-0.24380976	0.09990299	-0.8142032	-0.86073214	-0.16773055	-0.39670488	-0.18038538	0.093775235	0.99741	0.08281688	-0.47656876	-0.9947534	0.09239797	-0.09698351	-0.43280318	0.17252408	0.44372168	-0.14493564	0.30752307	0.21210945	-0.2246372	-0.5644971	0.023383522	0.5370526	-0.32912576	-0.01409134	0.4617161	-0.50578636	-0.36213794	-0.15348452	-0.02348608	0.30623087	-0.9931504	-0.003864835	-0.2974139	-0.62166566	0.24272865	0.009730702	0.6990996	0.47607616	-0.5607086	0.84235185	0.08014491	0.18553661	0.10738916	0.53223324	0.59081453	0.4266379	-0.8737893	-0.2835718	-0.029712098	-0.60220355	0.18747598	-0.057846643	-0.2777094	-0.6157908	0.5495031	0.34490192	0.5980647	0.208827	-0.9959598	-0.47142008	0.38515145	-0.41699404	0.594565	0.14473666	-0.01632804	0.32759348	0.205305	-0.7429815	0.35239533	-0.28067872	0.13552937	0.9062543	-0.41518894	-0.9075252	-0.131645	-0.04448446	-0.26765785	0.023727816	-0.32324374	0.023677975	-0.509516	-0.3603935	0.23868342	-0.5807437	-0.8013504	-0.8738853	-0.48907438	-0.38925964	0.6907459	-0.9358542	-0.19578373	0.028760418	-0.3409755	-0.41450694	-0.39201504	-0.7661067	0.79726887	-0.5293112	0.17181124	0.30244684	-0.97460985	-0.5967381	-0.4879852	-0.25254518	-0.6352719	-0.12849078	0.33433238	0.3589342	0.69249284	-0.66855186	-0.7943237	0.26652196	-0.19429266	-0.4752689	0.45263314	-0.21130417	0.30699864	0.58125705	0.70338	0.69375855	-0.08662822	-0.15000273	-0.5870024	0.11636907	-0.26847365	0.7436158	0.5748088	-0.227275	-0.06327184	0.11057783	0.99966085	0.49051514	0.032466356	0.22357327	0.00215213	-0.6963671	-0.81836176	-0.42093387	-0.16740519	0.5833767	0.99950063	0.47726282	0.9349177	0.47833794	-0.35217	0.9999017	0.5594438	0.39315757	-0.40123546	-0.5415864	0.033790864	-0.21432005	0.6771996	0.863555	0.5160549	0.9905067	-0.15923141	-0.8445658	0.18234707	-0.23816921	-0.60216314	0.3786633	-0.05712943	-0.76757497	-0.13746916	0.7146672	-0.016309131	-0.97595173	-0.33536926	0.42329356	0.058602087	0.38915238	0.65843296	0.77485573	-0.5466816	-0.7438646	0.23233514	-0.5367585	0.6168525	0.23667377	0.040312547	0.32712236	-0.4000413	-0.33322015	-0.98073244	-0.40963474	0.43788326	-0.6503934	0.25677025	0.46540898	-0.57733965	0.285025	0.09756226	-0.069661506	0.2736955	-0.26536253	-0.43434602	0.17177515	0.8087148	-0.99225944	-0.28627053	-0.0946627	0.5125822	0.108697526	-0.6365491	-0.13556494	0.99974614	-0.6093625	-0.000885449	0.071725145	0.54140395	-0.64059144	0.33287108	0.6982953	-0.5085499	0.08132842	0.72944033	0.7359198	-0.38504204	-0.25758326	-0.823617	0.80061156	0.42260113	-0.1696325	0.99860865	-0.60079956	-0.48084587	-0.23437087	0.49675035	-0.8941082	-0.6645457	-0.765583	-0.66270214	-0.12591341	0.63133365	-0.30271673	-0.66707516	-0.34336305	0.8366996	-0.3347423	-0.3879766	-0.47177723	-0.39858162	-0.31450316	-0.20984904	0.63631	0.83130735	0.93174857	0.81883115	0.71894133	-0.8055315	0.044777375	-0.13152607	0.24006428	0.011522482	-0.08314421	-0.41678074	0.76449174	-0.50961816	0.22437462	-0.32260606	-0.14301781	0.16937213	0.2375464	0.64230406	0.9999579	0.5154828	-0.98962706	0.07843493	0.9996251	-0.09026636	0.23957627	-0.9984443	-0.89072615	0.5923489	0.81626827	-0.26372784	-0.40984213	0.03718952	-0.065969	0.97421664	0.1615049	0.13785745	-0.36732325	0.28603095	0.30405524	-0.57988065	-0.9999835	0.9783491	-0.99686533	-0.71621	-0.70728207	-0.53979623	-0.09717734	0.29839933	-0.91146624	0.36991653	0.018944146	0.060573403	0.11032844	-0.06707391	-0.58671993	-0.022102622	-0.1596877	0.15598254	-0.547421	-0.9879987	-0.99997663	-0.032912273	-0.004883973	0.15065232	0.038054004	0.036151722	0.6241375	0.10079089	0.43874702	-0.14990163	-0.31217936	0.6165713	-0.33419228	0.91521806	0.6537155	0.91684926	-0.40181607	-0.43418565	-0.16730273	0.19166231	-0.02159095	0.4778533	-0.37302652	0.9478001	0.24162024	0.5386717	-0.11056495	-0.54588217	-0.6352712	0.40039814	0.25764528	0.70321375	0.2584436	0.29553616	0.07999793	-0.5313756	0.42553857	0.14261553	0.35643587	0.77279395	0.33160526	0.9999046	0.32598415	-0.13820308	-0.7759271	0.003359863	-0.03916811	0.27134266	-0.6522058	0.25638506	-0.73674184	-0.08001045	0.16364548	0.6986099
591	0	Cn1c(=O)c2[nH]cnc2n(C)c1=O	0.6134666	-0.4956304	0.4807385	0.114296235	-0.29083213	-0.022506585	0.05172289	-0.7791858	-0.6692485	0.61020666	0.111027874	-0.668765	-0.031138595	-0.33293298	-0.099765405	0.61079323	0.35331666	-0.092928946	-0.23946595	0.043679826	0.18445061	-0.5627925	-0.013624506	-0.22595942	-0.7300332	0.20738767	0.7519204	0.3582596	-0.18543568	-0.34578562	-0.12490395	0.19388397	-0.16338335	0.45267725	0.32808414	0.2770586	0.08533971	-0.6619205	0.8208108	-0.3827721	-0.9724419	-0.2041688	0.21140191	-0.31167507	0.014578579	-0.9931452	0.3556992	0.6267258	0.62302405	0.1598697	-0.7327768	-0.016979247	-0.64311695	-0.34140533	-0.6865468	-0.4838961	-0.7244324	0.76593053	-0.7861157	-0.27771333	0.45061824	0.58463985	0.3368499	0.5073212	0.07562528	-0.27879605	0.1893715	-0.4518074	0.27783084	0.567398	-0.7650628	-0.99998266	0.000441439	-0.44292516	-0.7909394	0.7245257	-0.11952041	-0.02109219	0.76002455	-0.99990535	-0.35983092	-0.49473143	-0.9584599	-0.32387483	-0.6251731	0.964003	0.8235679	-0.7394252	0.24544294	0.6102479	0.20693187	-0.6442423	0.0668376	-0.2786666	0.99753577	-0.033421386	-0.9180712	-0.061812844	0.12507114	0.24344166	-0.36732653	0.085772686	0.06031101	-0.76804465	0.6301174	-0.9540364	-0.10368922	0.47408628	-0.89001477	0.33965373	0.021945095	0.52027684	0.39568508	0.05155643	-0.13003169	0.6116085	0.18049046	-0.29887772	0.9997964	-0.5857623	0.61983514	-0.8082595	0.3572956	-0.38611978	0.04757676	0.06581257	-0.03968651	-0.103440106	0.041027118	0.33595333	-0.24099728	-0.2871249	-0.10954116	-0.50727415	0.6039649	-0.85641944	-0.12382747	-0.087338924	-0.39208472	-0.6956396	-0.9995527	-0.3693216	0.77007264	0.42626914	-0.5350072	0.030775115	0.29293716	0.16745827	0.96065015	0.32312655	0.29227972	-0.627574	-0.6976081	-0.08770485	-0.8043113	-0.11100719	0.60377353	0.997525	-0.037092704	-0.22049187	-0.99504143	0.18284771	0.04356823	-0.16665298	-0.36837447	0.027998196	0.35194287	0.6838255	0.006053788	-0.28248566	-0.7481524	0.6342265	-0.38488966	-0.22680624	-0.47107476	0.7601668	-0.6416104	0.5929069	-0.20647372	-0.60024524	0.30809718	-0.99485034	0.42275205	-0.29214057	-0.51365227	-0.11246099	-0.18133804	0.53084314	-0.17054756	-0.5720403	0.93575394	0.48642275	-0.034635313	0.48655242	0.452203	-0.26215494	-0.16912436	-0.62510854	-0.3592058	-0.46762037	-0.45597857	0.41145772	-0.37575194	-0.5687705	-0.3612197	0.72411245	0.35004726	0.81234086	-0.006645391	-0.98841697	0.5105745	0.26214668	-0.7270676	0.6156719	0.39033198	-0.305345	0.29747364	-0.40229294	0.007275858	0.55511147	-0.43483886	0.13869502	0.73042834	0.20699456	-0.9834907	0.29556242	-0.27266815	0.46134597	-0.51388645	-0.29425815	0.39779907	-0.6394668	0.43414798	-0.38639846	-0.3983593	-0.5162726	-0.16424127	-0.4949575	0.15970634	0.3096975	-0.98450255	-0.4068741	0.70054597	-0.34176308	-0.07258696	0.10357864	-0.40703818	-0.010656954	-0.06398247	-0.19652744	0.28096873	-0.97970134	0.2995525	-0.4907665	0.61645657	-0.32183042	-0.38701537	0.056719914	0.4789551	0.5534084	0.030025844	0.27641225	0.50588125	0.2121656	0.19761851	-0.25154278	-0.44579577	-0.12313884	0.39364052	-0.1974453	0.3281973	0.5097077	0.18299755	-0.15912428	0.2623823	-0.2886411	0.8522737	0.109709024	-0.60056794	-0.05570576	-0.12383272	0.99967533	-0.24514462	-0.40748933	0.037804224	-0.320394	-0.78181756	-0.7267464	0.63572466	-0.24938492	-0.047060676	0.99957335	0.36663565	0.95044935	0.3957525	-0.37597242	0.99997896	0.5796954	0.28545254	-0.034308057	0.26743573	0.6080618	-0.20205094	0.43945333	0.8429656	0.71357924	0.9880684	0.17457107	-0.8560461	0.68052864	-0.33730006	-0.7952536	0.4440434	-0.34881276	-0.78967315	-0.41082966	0.7289453	0.19287983	-0.9722601	0.098972574	0.24522565	0.48963898	0.18210953	0.6481341	0.42751053	0.026868973	-0.42024046	0.5565408	-0.67391217	0.054798804	0.62759113	-0.33826235	0.50499105	-0.104768425	0.16545275	-0.99140096	-0.40267062	0.23165335	-0.79272264	0.073869355	0.203006	-0.4949448	-0.46991935	0.2568	0.4674783	0.09191496	-0.4616049	-0.34767595	0.35043937	0.83009267	-0.9906296	0.07190608	0.6513661	-0.031734627	0.29733273	-0.09971466	-0.19816747	0.99701566	0.25496852	0.18549693	0.3000656	0.48796067	-0.6159617	-0.45224568	0.76638764	-0.09361551	0.2915551	0.6479585	0.6861915	0.16835876	0.17671669	-0.3233228	0.73070395	0.040136375	-0.4865783	0.99934316	-0.4056619	-0.24585982	0.2284824	0.43071106	-0.8693107	-0.3617859	-0.62631625	-0.47467732	0.057476826	0.29106203	-0.11575904	-0.7018793	0.30177617	0.8768871	0.23355488	-0.15415826	0.15173872	0.16023862	0.6226216	-0.33018982	0.6114302	0.65118206	0.9345416	0.9283843	0.7488591	-0.6915531	-0.09652249	0.24364164	0.16588217	0.07131587	-0.37557828	-0.4328039	-0.005306274	0.42475262	0.43565395	0.13606185	-0.50426	0.17662098	0.45447418	0.8808301	0.9999678	0.38016483	-0.98991466	-0.034927152	0.9996967	0.13500546	0.23347147	-0.9987128	-0.5760133	0.5408395	0.7060811	-0.034241498	-0.6182279	-0.14888492	-0.092815295	0.97787184	-0.017831184	-0.63709193	-0.75686085	-0.24493153	0.11355944	-0.57003075	-0.99998385	0.97296834	-0.9964227	0.22154884	-0.2960351	-0.43720046	0.08845235	0.70062643	-0.87193537	-0.24810618	0.77454996	0.4743537	-0.048911057	0.21808995	-0.536182	0.13756329	0.27041227	0.39058998	-0.31915265	-0.9878912	-0.9999794	-0.5177875	0.13135928	0.25087732	0.47311196	0.47277835	0.56205684	-0.41243538	0.41635007	0.3392222	0.063795455	0.585014	-0.27315232	0.95476675	0.4193297	0.80300164	-0.21107934	-0.48741284	-0.20724419	0.41664937	-0.015351921	0.6418193	0.14649391	0.94589144	0.3727567	-0.17764367	0.08220944	-0.4994234	0.20678744	0.4207088	0.14126216	0.6555491	-0.29849178	0.52489984	-0.045404717	-0.4494034	-0.059042938	0.7309424	-0.3387205	0.86113626	0.2283191	0.9998894	-0.20677933	-0.3663901	-0.8707586	-0.1971721	-0.23556334	0.08333216	-0.6577071	-0.38409254	-0.49268228	-0.37554088	0.4189846	0.6594931
592	0	c1ccc2[nH]c(-c3cscn3)nc2c1	-0.57241184	-0.026873102	0.17068578	0.32684046	-0.38736084	-0.2584963	-0.6743941	-0.53498876	-0.24515714	0.15521322	-0.002910997	0.062160067	-0.1318715	-0.12338112	-0.4403435	0.6657409	0.048965592	0.27130827	-0.06126178	0.34040913	0.4726933	-0.5913763	-0.2665007	0.5653445	-0.36016458	0.35700506	-0.1985899	0.28523976	0.2667285	-0.2650617	0.44022867	0.5364939	-0.53992224	0.40031666	-0.051037192	0.55555236	-0.43892345	0.36969188	0.72838074	-0.94163203	-0.99346817	0.24795198	-0.4184186	-0.06835947	0.1642622	-0.98908323	0.4183463	0.100002915	0.69893897	-0.14757879	0.1472094	0.06618616	-0.19816889	-0.028107751	-0.6962527	0.10192301	-0.76870775	0.82883394	-0.1432137	-0.35581633	0.26086184	-0.07971723	0.3762018	-0.009334203	-0.15047193	-0.25281703	0.3806168	-0.0582203	0.20386824	0.64689314	-0.6890819	-0.9815863	-0.12593593	-0.816743	0.24313098	-0.5163527	0.5285124	-0.02125585	-0.0437241	-0.9987956	-0.4167821	0.30016503	-0.7432926	0.43899754	0.29083893	-0.37025097	-0.16297805	-0.13471888	0.44791114	-0.55837595	-0.108033985	-0.015598767	0.41597548	-0.38877696	0.95470995	0.6411548	-0.17430836	0.11670729	0.15722091	0.49292263	-0.416961	-0.3485158	0.7606643	0.60577047	0.5526465	-0.8785036	-0.50481814	-0.21029541	-0.9760509	0.15229583	0.117103346	0.14634366	-0.10386018	0.1387998	-0.23328885	-0.041408323	-0.19690381	0.002829749	0.999166	-0.13974413	0.32409602	0.255085	0.35728487	0.08210099	-0.40931487	-0.108686574	0.56116635	0.08208564	-0.027577413	0.99767554	0.62027377	-0.016588949	0.00653376	-0.48641264	0.45495537	-0.93837607	0.029275553	0.43962434	0.25967398	-0.20747247	-0.9998929	-0.27491364	0.9621829	-0.7911199	0.3053788	0.14874233	-0.19889387	-0.17645194	0.9715389	0.37718412	-0.19151174	-0.56113636	-0.23081174	0.1708286	-0.35967916	-0.14434826	0.041371815	0.9968023	0.46975365	0.13742076	-0.98952776	-0.23367992	-0.044899747	-0.27739716	0.156521	-0.3119508	-0.32589552	-0.09853879	-0.042697083	-0.0213746	-0.67070585	-0.20026174	-0.06625447	-0.5830369	0.06885278	-0.5463456	-0.6931397	-0.8373726	-0.3222049	0.33673695	0.2952045	-0.31709406	0.2765722	-0.17852837	-0.91569567	0.6035244	0.635404	0.08150287	-0.24105713	0.22036229	0.9042231	-0.32730532	0.32943952	0.05331947	-0.16047472	0.38179877	-0.24414848	-0.19790891	0.35590327	-0.5733877	0.31194603	0.123446666	-0.137123	0.3691733	-0.3061375	-0.029804336	0.13618578	0.05804751	-0.018328926	-0.9899494	0.07085688	0.3477214	-0.21396618	0.03432739	-0.029384596	0.11948556	0.11610414	0.52262676	-0.1679125	0.5771156	-0.013121211	0.29066634	0.39524943	-0.16154367	-0.9887008	0.49253285	-0.45899466	0.361022	0.2729826	-0.32119024	-0.73206407	-0.70270294	0.16154845	-0.5185744	0.17120218	-0.39093342	0.12841223	-0.4534519	0.10005063	-0.12181994	-0.9787278	-0.64160556	-0.30994603	-0.5231699	0.61019343	-0.3705114	0.14020127	0.4448318	0.28448963	0.11901808	0.13248865	-0.69448084	0.18106423	-0.24813572	0.4644039	-0.21466453	0.32822073	0.50534546	0.34765756	0.43526864	-0.3692373	0.30461195	0.47623548	-0.31906205	-0.23443851	0.11093846	-0.4316275	-0.39727154	-0.29205143	0.5889339	-0.16308774	-0.09819775	-0.61383307	0.64973867	-0.24705036	0.7563831	0.5029342	0.122084364	-0.015137093	0.14725375	0.0532034	0.99978954	-0.18895525	0.85282314	0.16605805	-0.10525049	-0.66355336	-0.41973004	0.8558047	-0.4770949	0.35837775	0.99930966	0.40937057	0.29281163	-0.4294939	0.59485847	0.99997884	-0.91591793	-0.20668639	0.63224673	-0.28892946	0.4413565	-0.68963414	-0.58989775	0.9269374	0.5813213	0.9547971	0.46803	-0.1472768	0.3062577	0.23577343	0.42619425	-0.18697315	0.3671025	0.7446626	0.099434204	-0.72727156	0.5617834	-0.94252586	-0.23443152	0.27813762	-0.16975468	0.30896416	-0.5386628	0.03581157	0.00902638	0.10770946	-0.7113403	-0.28763115	0.323373	0.5376329	0.07342148	-0.21469961	-0.3722563	0.29375768	0.08914862	-0.12798381	0.30294564	-0.33062658	-0.7644864	0.358863	0.6933598	0.31782392	0.28761834	0.084884994	0.5683473	-0.7003592	-0.6153071	-0.5001847	0.7955436	-0.9967788	-0.7803504	-0.70278215	0.046732977	0.42490724	0.22986683	0.20649898	0.9993443	-0.47436896	-0.59652716	0.039088175	-0.3239148	0.12065274	-0.4594695	-0.2267011	-0.48721415	0.7147282	-0.031757336	0.72804826	0.1195789	-0.7249784	-0.022167161	0.30642998	0.39050016	-0.34513193	-0.9811729	-0.28869545	0.36633328	0.012790477	-0.14323217	-0.6865679	0.41407722	-0.50098675	-0.6366044	-0.22188167	0.12419424	-0.33516452	0.050684433	0.38441285	0.8393983	-0.23539276	-0.20092049	-0.545396	0.35420904	-0.03061121	0.3946099	0.3868364	0.5789857	0.7419967	0.138552	-0.49716038	0.15425375	0.07158057	0.3293089	-0.1481877	-0.33670282	0.2961187	0.17977579	0.05240128	0.5380177	0.41693118	0.3206018	0.2008267	-0.2253373	0.1599505	0.15799372	0.9999292	-0.21153685	-0.9885824	-0.08385205	0.9995935	-0.778747	-0.076067455	-0.99747485	-0.10237673	-0.026699629	0.8525726	-0.35798302	-0.826202	0.1935114	0.58975536	0.51100355	-0.062476747	-0.34095168	-0.5462602	0.00900632	-0.32713255	-0.6115366	-0.9999923	0.9999992	-0.97624975	-0.5384142	-0.55413485	0.047969155	0.66983986	0.31141073	-0.83373106	0.2179715	-0.06844419	-0.39270875	-0.24919115	-0.120285995	0.2690777	-0.4761465	0.6075251	-0.27078083	-0.4714584	-0.9645555	-0.99996835	-0.20052236	-0.3007698	0.6262188	0.11074984	-0.30695608	-0.9392119	0.38429224	-0.08008618	0.13512388	-0.33836442	-0.10906987	-0.043458708	0.98217154	0.5188408	0.8397464	-0.5996348	0.14132425	-0.70596373	-0.6230678	0.13892621	0.39682192	-0.47309887	0.41359913	0.88576645	-0.47457358	-0.006803759	-0.39427707	0.1377312	-0.060460094	0.140502	0.6642654	-0.21886688	0.24244365	-0.34534633	-0.11122726	-0.3433011	0.22903366	-0.6287362	-0.09178157	-0.52345085	0.9997569	0.13909535	-0.557426	-0.13784875	-0.069609255	0.70814216	0.5452361	-0.6635877	-0.71353716	0.15716718	-0.67591625	-0.7620147	-0.37481308
593	0	CN1COCN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-]	-0.7935979	-0.011204033	0.044554017	0.028964631	0.11912683	-0.8335204	-0.42876688	-0.53875333	-0.13534091	0.5684398	0.7990176	0.39101362	-0.19814081	0.00699842	0.56349504	0.1482807	0.27147222	-0.21219169	-0.090197474	0.91129297	0.6948391	-0.021603076	-0.60199696	0.74177545	0.2023934	-0.7753362	-0.16227303	0.25636613	-0.61279243	0.072261654	0.15933773	-0.26862523	0.6060765	-0.014182583	-0.43181306	-0.3026668	0.24433056	-0.3560088	0.98024	-0.27312884	-0.72701275	0.05035438	-0.15229754	0.5259649	-0.7508707	-0.9141054	-0.19871031	0.39888027	0.78543013	0.33938557	0.44298843	0.07305955	-0.10915685	-0.41730347	0.05113105	0.35490283	-0.027703123	0.40679517	-0.027833307	0.11872025	-0.003487496	0.6265339	-0.34290853	-0.3750151	-0.35177568	0.26804468	0.34559658	-0.14570652	0.68909514	-0.8367325	-0.9351119	-0.9991029	-0.4049586	0.23538682	-0.62420636	-0.12451864	0.55280757	-0.45613655	-0.6351846	-0.9998471	0.5883243	0.25599217	-0.9626665	-0.103905335	-0.60196966	0.72657144	0.60447615	0.013416091	-0.006991633	0.023100808	0.07909254	-0.6179302	-0.25958914	0.120510824	0.99997824	0.12102156	-0.68229103	-0.064620316	0.11574225	-0.34997854	0.19131327	-0.17197786	-0.4032929	0.75702286	-0.87221014	-0.88169324	0.4850024	-0.5662172	0.9791647	0.6228888	-0.13707568	-0.70247144	-0.4372325	-0.6416204	0.21667908	-0.30708915	-0.12517552	0.2510554	0.9987713	-0.69685113	-0.056106016	-0.22618937	-0.1420299	-0.42415068	-0.31427157	-0.045680583	-0.14348945	-0.6688445	-0.04003507	0.9468443	0.3058826	-0.20177537	0.40588334	0.8407956	-0.4744209	-0.98974323	0.42469162	-0.7280177	0.20908946	-0.64043134	-0.9995896	-0.19556174	0.34744355	0.41502637	0.19955198	0.053437002	0.0965916	-0.5764319	0.06617365	-0.20114781	0.21790612	-0.0992644	-0.82374793	-0.19420418	0.073472634	0.075708285	-0.61240345	0.938674	0.09094268	-0.9594161	-0.9638982	-0.062258333	0.3481874	-0.57399905	0.63569915	-0.086436294	-0.2640115	0.23192781	-0.58317095	-0.11538168	0.29021496	0.6238634	0.0664075	0.31829575	0.27555496	-0.65516835	-0.50193036	-0.5172169	0.024320863	-0.39246944	-0.48308653	-0.995586	0.49774396	-0.52644795	0.57422787	0.5567303	-0.2808298	0.2421504	-0.26588956	-0.44149455	-0.01333698	-0.048910294	0.47271454	0.33225733	-0.59033644	0.6276263	0.7921106	0.713013	-0.39866385	0.2938967	-0.16232228	-0.48450506	-0.59540266	-0.72436744	-0.7440448	0.2207332	0.38347632	-0.03324608	-0.3392283	-0.9987993	0.114047386	-0.009984716	-0.72111255	0.49114814	0.5279523	0.56345934	0.6456297	-0.38302687	-0.38251612	-0.16428131	0.18905266	-0.40581974	-0.44030157	0.033214957	-0.96216315	0.61136866	-0.57249844	0.14158937	0.23100534	0.19711222	-0.78525436	-0.49435133	-0.21068016	-0.6707387	0.46287122	-0.08587301	-0.13176662	-0.76579344	0.38582253	-0.2285707	-0.76581824	-0.07802228	-0.1601275	0.34461144	-0.008437526	0.5175816	0.0676337	0.34957	-0.014003874	-0.000550292	0.77911466	-0.9728773	0.82753575	-0.44489506	0.12843752	-0.118711285	0.8351227	-0.44657427	-0.6306235	-0.60379416	0.1475554	0.064791515	-0.4769458	0.057273325	-0.13753593	-0.54791814	-0.37933478	0.21071154	0.96855146	-0.1749187	0.70981395	0.9998725	-0.24176617	0.29991177	-0.45229837	0.30902457	0.10883094	-0.6418708	-0.8329701	-0.028069146	0.22134931	0.9991207	0.35267872	0.05077656	0.53829545	0.63445634	-0.22144592	0.57556075	0.869644	0.41084218	-0.021246191	0.9948391	0.6735876	0.23889008	-0.059220307	-0.5921982	0.9999303	-0.057746008	0.24149701	0.6160125	0.011745409	0.27653313	0.24083059	-0.17478138	0.6229069	0.30197543	0.3058671	0.319175	0.5086373	-0.07949603	0.21610557	0.40604204	0.21205527	-0.38513136	-0.758092	-0.18197083	0.23201306	0.43795827	-0.9999544	0.22559942	-0.5359395	-0.6408652	0.09409312	-0.15096395	0.5672416	0.16529328	-0.53338116	0.40512368	-0.38311827	0.5387874	-0.09118534	0.15342386	0.5269131	-0.20937149	-0.3373278	-0.94191664	-0.9347326	0.47912052	-0.25995654	-0.55883044	0.19920573	-0.51177377	-0.572743	0.000642426	-0.32848445	0.014847439	0.29104006	-0.017689211	-0.5668907	0.0718711	-0.96418875	-0.34809887	0.23968752	0.5012562	-0.30408293	0.19491656	-0.2563912	0.9995452	-0.68474895	0.36478508	-0.12884831	0.60333467	-0.7602364	0.36271122	0.37637976	-0.4115229	0.36452183	-0.12875545	0.044109635	-0.47881064	0.032811634	0.015528445	-0.00948516	-0.801285	0.5895185	0.9984039	-0.709033	0.156818	-0.21054037	0.43939325	-0.35605717	0.35469905	0.51128703	-0.054056846	-0.3382946	-0.6534408	-0.41377285	0.30863777	-0.23014064	-0.7223389	-0.5010257	0.049055733	0.011379608	-0.4325616	-0.4940045	-0.5286218	0.48209095	0.50648785	0.5307744	-0.5470461	0.9679846	-0.5371882	0.27420476	0.4762834	0.42484435	-0.14412537	-0.14736664	0.9718254	0.36318097	0.30826285	0.3792005	-0.49467602	0.39115986	-0.08024808	-0.033255644	-0.4464463	0.99999976	-0.6542244	-0.9559614	-0.4662265	0.99901736	-0.21881112	-0.224263	-0.99993527	-0.4459207	-0.5527324	-0.2457315	-0.39578718	0.06538023	-0.68739974	-0.19458234	0.8630286	0.13466394	-0.21431096	-0.026261244	0.07394323	0.33036268	0.19280818	-0.9999874	0.99516314	-0.93756455	-0.236267	0.18847948	-0.23403333	-0.56572044	0.58039355	-0.5226622	-0.07734823	0.3642857	0.6943277	0.39013872	0.2835162	0.026581066	-0.24071799	-0.22270292	0.40758768	-0.096005514	-0.6566725	-0.9999506	0.6263673	0.17693707	-0.7137768	-0.026289584	0.5441151	0.46032915	-0.047729082	-0.5603799	-0.79451996	0.32404253	-0.5231699	0.81432813	0.6879084	0.43055972	0.35306302	-0.6956356	0.3985842	-0.553945	0.8111814	0.017752342	-0.6575339	-0.42927554	0.8911753	-0.9833151	0.4271913	-0.3484428	0.7774304	-0.040037297	-0.5498027	0.27437302	-0.46782798	0.61017245	-0.16298077	-0.07390493	0.84496987	0.03934613	0.6923561	-0.6374571	-0.38456607	-0.27370894	0.99919295	0.032887958	0.65273136	0.49188545	-0.146624	0.18608621	-0.40512213	-0.98774004	0.38837966	-0.42509556	-0.34645516	-0.37273696	-0.023746721
594	0	COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C2=NCCS2)c1CC(C)C	0.40768045	0.1039819	0.07100886	-0.6427613	-0.029637432	0.2500106	0.32133493	-0.5698769	-0.18720366	0.46857923	0.3147354	-0.011045621	-0.2551643	0.82603955	0.106770985	-0.91073775	-0.51551855	-0.38175735	-0.49567518	-0.81407607	-0.41184118	0.63247186	-0.035454374	-0.04871406	0.04120078	0.32433093	0.6008546	-0.7607797	0.38330454	-0.50637263	0.12892987	0.16348828	-0.19717295	0.653852	0.27488583	0.667788	-0.13589478	0.033231493	0.99946886	-0.08436707	-0.3668748	0.04518944	0.53957415	-0.088283576	-0.4648851	0.52744323	0.7292322	0.24204664	0.96282953	0.45146194	0.18161604	0.35188293	-0.6178968	0.13984092	-0.61582994	0.028823022	-0.48093086	-0.90449476	-0.5747894	-0.4741863	-0.31474614	0.69859856	0.43383616	-0.60030866	-0.03833849	0.84102416	0.49931023	-0.76766026	-0.08703226	0.009148886	-0.9146528	-0.7025797	-0.35516864	-0.30927542	0.66099876	-0.72592944	0.5892273	-0.9334087	0.22175336	-0.9997201	0.60800487	-0.15389371	-0.9392718	0.5679156	0.09569219	-0.77264565	-0.16000363	0.40644088	-0.009810031	0.61661834	0.34635904	-0.47570205	0.25837097	-0.15545385	0.99807477	0.59780216	0.5684857	-0.21544284	-0.61326593	-0.5610649	0.59254825	-0.3760425	-0.21745068	-0.60097086	-0.99919003	-0.9226587	0.005052419	-0.10972077	0.98152643	-0.48266575	-0.38558242	0.57936585	-0.8191478	-0.55773187	0.012061953	0.5507842	0.10749149	0.15856606	0.9771274	-0.7356378	0.058660384	-0.021490624	0.12479473	0.39534685	0.2465628	-0.28454876	-0.18869491	-0.03089356	-0.37629986	0.99931645	0.42039943	-0.04502299	0.32213756	0.5603461	-0.6570638	-0.9978335	0.6966258	0.09490206	-0.6674131	-0.529854	-0.99992865	0.016907506	0.68751866	0.75849974	0.022773566	-0.6531984	-0.5909436	-0.21315834	-0.99240816	-0.3830781	-0.070035964	-0.74747413	0.20337167	0.25092193	0.21903744	-0.31687483	-0.5469551	-0.76828915	-0.9142239	-0.9125896	-0.39196965	0.816153	-0.63210845	0.39842445	-0.5294619	-0.2926615	0.003044559	-0.20424296	0.38322064	0.46478266	-0.38828573	0.052402962	-0.2597396	0.52524143	0.73563516	-0.63846135	-0.2389654	-0.5166102	-0.2874379	0.8230329	-0.6966481	-0.8946195	-0.8305283	-0.81624275	0.8275616	-0.15042849	0.5749567	0.662812	-0.22077921	-0.5634935	0.7155089	-0.23834796	0.2807057	0.026680663	-0.49251163	0.30790585	0.10743332	-0.7617232	0.5390616	0.13988326	0.07165593	0.60138255	-0.75842017	-0.40985882	-0.7209766	-0.20127721	-0.2377055	0.2887034	-0.47624764	-0.99987626	0.14920889	0.4182129	0.30182415	0.35337228	-0.5563283	-0.2577669	0.012789539	-0.4113585	-0.094865754	-0.3352634	0.60116357	-0.105298445	0.09652949	-0.49113166	-0.98300564	-0.43667507	0.53046256	-0.3683195	-0.6468534	0.59733236	-0.604341	-0.13571523	0.8423016	-0.18949111	0.38137582	0.4212677	0.3296879	-0.5846316	0.1948408	-0.120560035	0.90126663	0.5343031	0.7418028	-0.32550585	-0.16624355	-0.7614631	-0.48750135	-0.5820117	0.7204824	0.15512985	-0.205124	-0.9695302	-0.124134324	-0.7953929	0.3375355	-0.78753513	0.18304676	0.21549487	-0.49881724	-0.3165088	0.345926	-0.61965126	0.5232589	0.472114	-0.5866067	-0.5157756	-0.37532926	0.42204738	0.96441054	-0.10214204	0.11488655	0.99889857	-0.20182379	0.45235547	-0.13364571	-0.69461256	0.5756869	-0.28746185	0.2576348	-0.5740805	-0.25203237	0.9727344	-0.7342549	0.10667376	0.8260301	0.681976	0.1350114	0.8806644	0.64784145	-0.7748468	-0.3111216	0.53528327	-0.10856631	0.9688311	0.13905025	-0.54108566	0.9999795	-0.9856862	-0.1606069	0.33685327	0.5759522	-0.47510436	0.028268175	0.10044566	0.65789557	0.52531767	-0.9916272	0.57948196	-0.3503758	0.14188278	0.43924788	-0.7983684	0.67531276	-0.33948797	0.049221266	0.5252219	-0.53987104	0.2638254	-0.99991316	0.1175241	-0.61430186	-0.36298433	0.33827865	-0.74764377	0.26557276	0.38788572	0.098721	-0.83068734	-0.85447294	-0.48377937	-0.22695331	0.7544906	-0.33791602	-0.71846694	-0.66773874	0.6140842	-0.004095078	-0.12452756	-0.42707166	0.3588416	-0.23050861	0.62548673	0.6480148	-0.2368109	0.37969905	-0.19099428	0.09796229	0.060940597	-0.10036496	-0.84487444	-0.48317873	-0.12812442	0.26070738	-0.1195408	0.39244562	0.4322846	-0.27573243	0.99864817	-0.013475557	0.18565916	0.53748995	0.09273119	-0.48027474	-0.092731655	-0.43752652	0.2439271	0.44886255	0.7543088	-0.23043917	-0.19254798	0.3910954	0.62529546	0.84386396	-0.80161357	-0.011006527	0.9874098	0.3474042	0.20185928	-0.018308325	0.1931209	-0.46704873	-0.08604764	-0.81860185	0.28957975	-0.61467797	0.41475993	-0.4318492	0.5613043	-0.18099049	0.59210765	0.83014154	0.07347448	-0.18688914	0.3578919	-0.013623482	-0.8565173	-0.64446187	-0.6044466	0.92425066	-0.44540057	0.71669424	-0.101773545	-0.4189166	0.45847306	-0.10360435	0.35132623	0.40940472	-0.3993399	-0.45625263	-0.79362965	0.1808393	0.65518636	-0.014059356	0.19731385	-0.08553455	-0.21862912	0.9999994	-0.002138182	-0.95641875	-0.57108337	0.9942239	-0.4440794	0.45445132	-0.99983066	-0.24058561	-0.13464548	0.7205349	0.056987736	-0.14166492	-0.5028956	0.78430474	-0.67835957	0.26742142	-0.25203425	-0.42507535	-0.5185993	0.40947282	-0.6828115	-0.99992347	0.9915364	-0.34700534	0.201886	-0.046819013	-0.76052326	0.59125006	-0.24318695	-0.86804557	0.12849762	-0.3839642	-0.2175784	-0.79334354	-0.2562578	-0.2917125	-0.5083083	0.84622616	-0.6730641	0.033321265	0.8926571	-0.9994321	-0.49415448	0.45122653	-0.35237715	-0.27447754	-0.15016165	-0.5662096	0.771768	0.5278307	0.24930504	-0.3661206	0.7491475	-0.010249675	0.876826	-0.22411956	0.45130867	0.008817309	-0.2792936	-0.5628467	0.7130314	0.6719188	-0.095776245	-0.14625251	0.09348723	-0.9740886	0.6560906	0.101594254	0.28211197	0.103096545	-0.4365129	-0.27065256	0.4359422	0.48704097	0.27475125	0.9089898	0.99849296	0.09408518	0.18885732	0.34378186	0.8754933	-0.3543519	0.9933393	0.23351365	-0.74950737	-0.3896773	0.5553076	-0.21742941	0.71399605	-0.9992755	-0.64659953	0.760193	0.7021997	-0.10388252	-0.47671053
595	1	O=C(Nc1ccccc1)Nc1cnns1	-0.7968563	-0.5142046	-0.21157382	0.41840148	0.49742103	-0.61488676	-0.55550474	0.571754	0.46683335	0.36514643	-0.18299653	-0.5001196	-0.43401316	-0.43608677	-0.4565676	0.3252278	0.33414182	-0.10156109	-0.04265749	0.60012805	0.6704373	-0.8301081	-0.50286704	0.34581798	0.6174515	0.46815786	0.38069716	0.046935488	-0.10856827	-0.37527925	-0.3511254	0.4573536	-0.23989064	-0.09266074	-0.10853191	-0.34571752	0.599734	0.1927078	0.7851596	-0.8983577	-0.9930762	0.20976987	-0.13056079	0.13805088	0.29301116	-0.98678833	0.19538225	-0.33590358	0.226436	-0.09186671	0.44820997	0.5001578	0.34829438	-0.1743132	-0.3432805	0.8775588	-0.6717783	0.9125507	0.21244968	0.40719795	0.24179982	-0.63602525	0.051865835	-0.5834	-0.1030932	0.10823151	-0.356733	0.2871854	0.24853536	0.11204567	-0.8834119	-0.9968274	0.26419643	-0.40814185	-0.17342934	-0.38358203	0.088496454	-0.40414387	0.2938256	-0.9992918	-0.2889314	0.42131144	-0.8749002	0.23520733	0.5455718	-0.058979336	-0.15500061	-0.29427418	-0.5789509	-0.38082078	-0.42767143	0.30019644	-0.669084	0.39551443	0.99688596	-0.6914558	-0.67280304	0.6365791	0.28840235	-0.004486198	0.13914533	-0.68094313	0.2407139	0.97349554	0.18247639	-0.91180605	0.4837229	0.7171003	-0.99914753	0.27910274	-0.5972885	-0.30309778	-0.16976666	-0.49491867	-0.7182959	-0.21617079	0.48649907	-0.28686514	0.99875546	-0.3052372	-0.07442091	0.6945794	-0.6929516	0.269308	-0.7356243	-0.60456234	-0.16949658	-0.102131404	-0.12569581	0.9967145	0.75544333	0.60001624	-0.12829426	0.12339994	-0.18827213	-0.9884595	0.4669183	0.6286771	-0.094671816	0.6853241	-0.99998814	-0.5434106	0.8693671	-0.46466976	0.46537393	-0.41370803	0.82683647	0.31070048	0.9385746	-0.35173762	-0.4985808	0.9756016	-0.2422564	0.33200133	0.058618248	0.42619938	-0.5326105	0.9957549	0.033966526	0.9611896	-0.9876988	-0.7085664	-0.52438855	-0.15364394	-0.2564263	0.20606384	-0.55206245	-0.004669003	-0.5734424	0.005209797	0.5277046	0.54916066	0.68972945	0.5872275	-0.18183264	0.25498068	-0.6261646	-0.14591764	-0.398529	-0.5217032	-0.5871923	-0.8817105	-0.040719334	0.6447999	-0.8193193	0.7186372	0.55829656	-0.5942104	0.09358272	0.15696263	-0.05927057	-0.2997021	-0.020883184	0.28313673	-0.3499669	-0.21888015	0.6185289	-0.73869336	0.114097916	-0.35870546	0.31928352	-0.28417388	-0.054163132	-0.17874503	0.0720453	0.21505678	0.010217948	0.3982693	0.272032	-0.99634606	-0.30145293	0.56947756	0.27505225	-0.3957606	0.059618372	-0.661854	-0.35122105	-0.42842466	-0.44700927	0.05365165	0.2383667	-0.27103448	0.66168696	0.17583945	-0.94273686	0.7851875	-0.44661748	-0.7510679	0.24172065	0.57683706	-0.031713877	0.21116883	-0.006625189	-0.4132897	-0.31073627	-0.0556409	-0.5590878	-0.00573707	-0.20452873	-0.022238277	0.87914926	-0.31383	-0.22299206	0.12726317	0.7023994	0.26507184	0.30803442	-0.31272495	0.3664099	-0.028985241	0.8683657	-0.97625154	-0.28223455	0.72862846	-0.304405	0.51458305	0.3944986	0.3383477	0.25395563	-0.29410627	-0.096607275	0.7737151	-0.16017012	0.3250145	0.60557204	-0.14790376	0.013541476	-0.04414088	-0.81748086	0.33224806	-0.026759934	0.080159105	-0.5308575	-0.046037026	0.47958213	0.8190817	0.7901656	0.62331915	0.63048273	0.52953374	0.3271099	0.9995988	-0.41493604	0.39654428	-0.23882121	0.33883494	-0.21559311	-0.9419824	-0.98074305	0.2815416	0.5449629	0.9992012	0.43352506	-0.6743996	-0.011714919	0.40970972	0.9999868	-0.8403524	0.4664137	0.18649547	-0.65451324	-0.3163309	-0.44539052	-0.13865814	0.86099297	0.46979108	0.95948577	0.091401055	0.7098524	0.1384835	0.29776347	-0.57149947	-0.425052	-0.34384787	0.54930997	-0.10009947	0.3342647	0.13942376	0.9728236	0.25568938	0.041847803	0.24064524	0.21765769	-0.5322359	-0.3775584	-0.028475061	-0.16750331	-0.9190191	-0.2946139	0.1359267	-0.38692373	0.3792848	-0.4575995	-0.5987176	0.08910499	-0.66654354	-0.11995901	0.47458357	-0.38556698	-0.07068734	0.21321535	-0.18140106	-0.60517067	0.9043218	0.5321487	-0.2684262	-0.7275738	-0.38646078	-0.41943768	0.6166659	-0.9953996	0.19535704	-0.32745463	0.14737129	-0.09515384	0.27781218	0.24340591	0.9994687	-0.36350572	-0.4747773	-0.19902617	-0.5088039	0.6358802	-0.1346351	0.25819102	-0.6937228	0.08939218	-0.658733	-0.26190886	0.38039958	-0.42026356	-0.7871899	-0.22077236	0.62383866	0.47495624	0.99850315	-0.079835415	0.025599783	0.029814541	-0.69164413	-0.48281127	-0.52931905	-0.23687817	-0.18026938	0.5152208	0.100689106	-0.17322858	0.2678602	0.30149007	0.6257122	-0.52089316	0.68214136	0.067539684	0.26602814	-0.5347571	0.19840695	0.3114081	0.70898265	-0.53313756	0.35598117	0.40449035	-0.03472449	-0.022565681	0.1516488	-0.3561003	0.092482425	0.10520662	0.6540682	0.21820974	-0.2768609	0.6853309	0.7846834	0.30285427	-0.017354837	0.4344651	-0.32963756	0.9316252	-0.33174327	-0.98170924	-0.5648655	0.9991381	-0.6626745	0.7863132	-0.9719829	-0.27926967	-0.501613	-0.024327468	0.31420285	-0.83673066	0.13804732	0.4654266	0.6470573	0.5395491	0.4599267	-0.48762006	0.2947526	0.5252234	0.026323533	-0.9999717	0.98657316	-0.95604753	-0.088118955	0.006734076	0.63400126	-0.12643878	0.3973278	-0.7852252	0.3408018	0.43963456	0.06674999	0.06964755	-0.31955433	-0.20407821	0.08543294	-0.22696559	0.33899283	-0.5605649	-0.96892023	-0.99994004	0.03301197	-0.24139838	-0.08100879	-0.36274603	-0.49603972	-0.7752566	0.039559662	0.23798865	0.15866719	0.09143507	-0.6936988	-0.21240617	0.9550218	0.53166276	0.9004699	0.23802364	0.22556758	0.35220417	-0.5185484	-0.07936729	-0.7254558	-0.44299206	0.5045801	0.29776672	-0.40006083	0.15865098	-0.4265826	-0.47542664	-0.28952792	0.54809165	0.3244627	0.09653415	0.02570259	0.14244947	-0.11109048	-0.8363063	0.2216146	-0.6700837	-0.4406839	0.003223382	0.9999518	0.10099209	-0.01574724	0.43210074	-0.16383736	-0.04361268	-0.23097901	-0.77781105	0.6836604	-0.58677	-0.69509494	-0.71796745	0.015600729
596	0	CCN(CC)C(=O)SCc1ccc(Cl)cc1	-0.00357761	-0.5436969	0.3848378	0.45867792	0.27891806	-0.78130525	-0.3291132	0.020140253	-0.35390624	-0.53030366	-0.85413396	-0.5396203	0.12159636	-0.68295616	0.44362286	-0.2788267	-0.41987416	-0.41547018	-0.120103985	-0.31821468	0.37956557	-0.6135478	0.29173782	-0.071348235	-0.4514426	0.45245415	-0.12050312	0.10864681	-0.17322315	0.4020549	0.46400148	-0.105022274	0.44645646	-0.67266256	0.01205032	-0.5126289	-0.46609014	0.7170207	0.881096	-0.8810002	-0.9960243	-0.22261655	-0.49983817	0.47727272	0.18789841	-0.97867364	0.54282784	0.113669835	0.9891072	-0.44225234	0.4620395	-0.12748416	-0.05613994	0.31119433	-0.74878633	-0.20474873	-0.101306185	0.8537256	-0.12636223	0.43710583	-0.42374164	0.10815954	0.039072063	0.2517671	-0.16676778	0.6667634	-0.001968758	0.69066054	-0.06950792	-0.33544973	-0.22311352	-0.90521353	0.22247462	0.50848436	0.52218294	-0.04655138	0.45803565	-0.34298465	0.3962672	-0.99978864	-0.3730493	-0.034061782	-0.8385336	0.31007966	0.27875486	-0.6823514	-0.2289057	0.096511826	-0.3578504	0.15621284	-0.04095955	0.2626773	0.2696693	-0.41174194	0.94089603	-0.36280543	0.27663255	0.44486958	0.381806	0.04906282	0.07891922	0.2573603	-0.07388815	0.85586995	0.011225533	-0.15222768	0.6635601	-0.04965875	0.98670936	-0.3267595	0.6957211	-0.4125336	-0.36242107	-0.052571923	-0.41170913	0.26106519	0.27594432	0.82896566	0.99835664	-0.15679376	-0.3151776	0.103336304	-0.036188234	0.3533073	-0.36452988	0.5564137	0.078702986	0.256173	-0.08722052	0.9998637	0.50578755	0.2718826	-0.39617637	-0.1241562	-0.052769955	-0.96673733	-0.02286428	0.37168336	-0.65496385	-0.65186876	-0.991344	0.3808056	0.98307943	-0.4263906	-0.32808533	-0.46693078	-0.5478447	-0.5492879	0.89109534	-0.3611029	-0.5040329	-0.3921629	0.3386135	0.72648644	-0.5824007	0.047393877	-0.123040065	0.99294585	-0.39879417	-0.9529112	-0.95683974	0.14886451	-0.012203205	0.17432246	0.47109163	-0.13635434	0.25317967	-0.17848063	-0.22715376	0.3543235	0.32497326	-0.12390611	0.20393653	0.21186022	-0.20412782	-0.9320894	-0.5710295	0.55474967	0.067054614	-0.36940387	0.597527	-0.06338565	0.61603487	0.40270272	-0.8867502	-0.4197667	0.056570422	0.17807251	0.22717342	-0.20810325	-0.59238416	0.08411691	0.5094546	0.20120832	0.032318927	-0.35063866	-0.25161052	-0.90247023	0.56200504	0.5874721	-0.028620392	-0.12834886	0.1310544	-0.12452805	-0.22228107	-0.2564293	-0.3527651	-0.5938752	0.05187219	-0.9974498	0.1846258	0.27521452	-0.42235252	-0.1409696	0.07828259	0.55214256	-0.48923463	-0.1861082	0.018075481	0.37310004	0.24928977	-0.5267432	-0.525377	0.061833948	-0.9162789	0.28342527	-0.061177757	0.05029647	-0.190748	-0.3742892	-0.40133607	-0.006045625	-0.11054368	0.2940868	-0.20331673	-0.025413845	-0.3076722	-0.5706138	-0.41532192	0.23834419	0.8564002	0.41708595	0.48142028	-0.33945087	0.44719744	-0.118603714	0.29746798	-0.8305373	-0.66515684	-0.35593566	0.7414912	-0.9981691	-0.2718868	0.036510307	0.3293325	0.37112597	-0.6549702	-0.24509752	-0.11151605	-0.386015	-0.22041114	-0.06269178	-0.48965052	-0.29928398	0.30986544	0.4165057	0.15943003	0.106351316	0.8150276	0.05925351	0.500639	0.4781742	-0.15600164	0.18070495	-0.038435087	-0.6483039	0.7727935	-0.7996701	-0.7257516	0.58707696	0.5561936	0.9994256	-0.4591656	-0.3163086	-0.5673224	-0.2281374	-0.32715347	0.89615375	0.96697116	-0.46295446	-0.07560775	0.99865335	0.037763257	0.245198	0.3660482	0.007848108	0.9940884	-0.9828405	0.72642004	0.16493937	-0.2270134	0.14625712	-0.13383882	0.01857493	-0.43761826	-0.1885995	0.8970825	0.6896269	0.83019996	-0.0507252	0.101135485	-0.12409052	-0.6838876	-0.2909246	0.8464604	-0.6022106	0.076509275	0.2591442	-0.9999888	-0.3046688	-0.5446117	0.50662214	-0.13294536	-0.576319	-0.020177672	-0.4005008	0.1700596	-0.9657808	-0.33731222	0.30381724	-0.6106542	0.345774	0.09234913	0.17343652	-0.12879327	0.5698095	0.3955959	-0.39440134	-0.14216293	-0.13590167	-0.2164334	0.3725489	0.038512617	0.885368	0.35904196	0.18012771	-0.48092163	0.26347175	0.015131102	0.52788484	-0.9950993	-0.12708609	0.17055026	0.30234867	0.4749788	-0.2903696	-0.659535	0.99971956	-0.8615111	-0.45988378	-0.5984419	-0.19848308	0.016198015	0.001566096	-0.8694638	-0.5676505	-0.16967234	-0.62127197	-0.46935353	0.655772	0.06028272	0.47384277	-0.5238183	0.7609862	0.5294007	1	0.16579267	-0.098027356	0.32952383	-0.44444036	-0.6060333	0.056178834	0.2898096	0.44632602	0.6153946	0.20996456	-0.28834838	0.8756158	0.111948214	0.37919903	-0.17789438	0.20437616	0.19170931	-0.32882914	0.33514112	-0.62448543	0.027329106	-0.55995005	-0.42180407	-0.770544	-0.7675085	-0.33618316	-0.05372649	0.48850843	0.24522106	-0.3488808	-0.49022332	-0.4373321	-0.3328025	0.066028275	0.14505896	0.3176785	0.20770964	0.23287788	-0.34100443	0.24018125	1	0.039721828	-0.9527234	0.29052907	0.99962723	-0.2494192	-0.5940139	-0.99997175	0.002216302	-0.71144605	-0.34378082	-0.5625437	0.2577873	0.34104618	0.21902454	0.019974468	0.12054773	0.14675194	-0.5636248	0.3051044	0.5252191	0.51743776	-0.9999736	-0.99940443	-0.9457459	0.3165853	0.72091746	-0.35711798	-0.49675405	-0.041709796	-0.5565777	0.20978549	0.10476906	0.42299312	-0.26386175	-0.09099445	-0.049315754	-0.06463794	0.29326454	-0.4809178	0.3658364	-0.8976492	-0.9998714	-0.102814764	0.481509	-0.21184601	0.24600978	-0.40336338	-0.9921409	-0.31953907	0.028777242	-0.31818134	-0.31200582	-0.16669019	0.617204	0.9492673	-0.064476535	0.90620327	0.46994227	-0.09452268	0.35778147	-0.32911214	-0.2856081	0.15685935	-0.44226918	-0.61506337	-0.28592756	0.29572588	0.09589562	0.08837776	-0.1555629	-0.5640197	0.5549029	0.4991524	-0.1816067	0.29462782	0.36610585	0.48624763	0.23251215	-0.4056309	0.3762025	-0.50475717	0.34887224	0.9999378	0.04067503	0.33240578	0.5221115	0.18571943	-0.2068562	0.27947366	-0.7799496	0.12217011	0.6655242	0.2953327	0.5065312	-0.37449467
597	0	CSC(C)=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC	0.94136554	-0.05037986	-0.85071623	0.1523993	0.42595148	-0.30849126	0.1846185	0.46734053	-0.611454	0.12116666	-0.22802947	-0.38272744	0.18763298	0.035502166	-0.45788538	-0.50443923	0.15335438	-0.08365196	-0.1646948	0.28587392	0.6462373	0.588816	0.38426328	0.47066122	0.688539	0.6398131	-0.40043154	-0.8029146	-0.3678221	0.029153503	-0.58250964	0.26802397	0.55981356	-0.633402	0.29263994	0.525674	0.572119	0.014411601	0.999214	-0.11088891	0.52855235	-0.6602376	-0.26302296	0.6644749	-0.54523087	0.013584418	-0.36773798	0.34941992	0.99763596	0.60459185	-0.26730272	0.19841075	-0.07891087	-0.44458833	0.65047807	0.6592794	-0.54353863	-0.44375357	-0.46627	0.016197596	-0.048660405	0.09899443	-0.46908292	-0.576449	-0.14612217	0.63225704	-0.19734374	-0.3648784	0.13334654	0.106754094	-0.6578912	-0.97392213	-0.79317474	0.71441317	-0.1498323	-0.83487886	-0.76236355	-0.646779	-0.5715639	-0.9998665	0.6879388	-0.07744699	-0.6997957	0.68045515	-0.7004611	-0.009562554	-0.3602453	-0.60489684	0.3064059	0.58184737	0.69523126	0.36206788	0.6900568	0.5918439	0.9999515	0.053690933	-0.9231862	-0.111182705	-0.18403414	0.13220884	-0.03494277	-0.6671961	0.705062	0.74854636	-0.9904163	-0.9785843	0.78016996	0.098297074	0.94139904	0.026448978	-0.2026345	-0.30026075	-0.7376647	0.24655756	-0.10357778	-0.42919362	0.6216885	-0.8263514	0.9907492	-0.8651267	0.32805926	-0.37734106	0.22845425	-0.24709284	-0.6410476	-0.509449	0.58614534	0.34024784	-0.08116376	0.9698986	0.68023103	-0.3213877	-0.54353696	0.56135154	0.18472168	-0.988736	-0.49655834	-0.8538934	-0.22226766	-0.9129892	0.99927986	0.46805346	-0.11119419	-0.51697516	-0.80235195	0.5988903	-0.45173237	-0.045414902	-0.97989887	-0.1131186	0.31348962	-0.56046593	-0.32848823	-0.13040027	0.32566813	0.022276625	0.21046275	0.28963956	-0.6827548	-0.9619763	-0.5528992	-0.47704956	0.5649574	0.17266807	-0.38619834	-0.2146309	0.3245448	-0.12502839	-0.6854257	-0.58233476	0.4271355	-0.87982947	0.77405804	0.84050316	-0.2513494	0.7092956	-0.78866404	-0.60452604	-0.5751205	0.10102723	0.12918127	-0.99121636	-0.32435042	0.10750317	0.80340713	-0.6632039	0.2540953	-0.5967681	-0.30967173	-0.5755205	-0.47011402	-0.18507735	0.19714601	-0.26040474	-0.2568625	-0.5972619	0.58335507	-0.71955675	-0.84315044	-0.618193	0.43184566	-0.70805866	0.60340893	-0.23045461	0.15129872	-0.26198837	0.1861451	-0.3784453	0.2002047	-0.99995977	-0.5334872	-0.44192457	-0.71048903	0.7994303	0.37129077	-0.42891863	0.742138	-0.7285413	-0.66208225	0.30604494	0.119581915	0.18352148	0.4613642	-0.3160894	-0.9909495	0.21330726	0.13596094	0.53747904	0.1270193	-0.045514863	-0.40262592	0.31585467	-0.5683387	-0.5735318	-0.48178583	-0.4118496	-0.38722575	0.24148291	0.041171238	0.33734813	0.92138755	-0.2135043	-0.33730537	-0.49569264	-0.85103124	-0.15217276	0.8269463	-0.323875	-0.71937156	0.19977435	0.69702166	-0.9996094	-0.6379089	0.046796247	-0.16484088	-0.67098475	-0.5098444	0.019529052	-0.37535802	-0.61185455	-0.06278603	-0.32739243	0.6599222	0.664431	0.025833583	-0.07671463	-0.2165624	0.40694275	0.9173464	-0.08603156	0.9491166	0.99999326	-0.22615717	0.37541205	-0.5514054	-0.9605798	-0.047668003	0.3197819	-0.46697792	0.36781478	-0.00891351	0.9897591	-0.30977792	-0.8635651	-0.44431242	-0.36683536	0.15870889	0.71079755	-0.39690185	-0.6913435	-0.63046235	0.96837807	0.40229166	0.25677082	0.60392517	-0.6183642	-0.99817663	-0.5055234	0.53083175	0.20574379	-0.80899435	-0.03710196	0.16616526	-0.081484444	0.8809522	0.5985157	-0.8588951	0.53339994	0.71156085	0.60067755	0.65540475	-0.66765714	-0.23634537	0.056554195	-0.2303146	-0.084806636	-0.53636706	0.37172443	-0.9993899	0.8481389	-0.2030859	-0.14227624	-0.35440427	0.048448	0.91700053	-0.08555911	-0.62343913	0.59955	-0.30633378	-0.20197855	-0.009414796	0.59463483	-0.1655984	0.70738846	0.35712886	-0.59303695	-0.6140325	0.117947176	-0.21657676	-0.77424365	-0.38136247	-0.05031232	-0.80445075	0.32505414	0.43636334	-0.33261022	-0.2589705	0.521879	0.07354641	-0.76095414	-0.6941417	-0.5366677	0.37781048	0.64034486	0.6508828	-0.15268774	-0.009060777	0.9998709	-0.13964821	0.2133326	0.069887385	0.23330939	-0.3130185	0.2804983	0.2823618	-0.7688062	-0.036689587	0.6665683	-0.31680697	0.7500896	-0.35972485	0.6265778	-0.31116903	-0.8232297	-0.112680025	1	-0.37610322	-0.51279086	-0.2125226	-0.52907264	-0.38050765	0.68589556	0.3219238	0.73882794	0.40950736	-0.290934	-0.2542334	0.37888435	0.07513837	0.3480804	0.08756714	-0.36524814	0.31094	0.2283177	-0.072845265	-0.9964612	-0.33430338	0.4919542	-0.66258854	0.018504327	0.99286664	-0.5067052	-0.23987193	-0.27792358	0.4995323	0.88462245	0.1593785	0.7668178	-0.46248046	-0.6653613	-0.42489251	0.33488092	0.33781067	-0.80701923	0.28494084	0.6481232	0.99999696	-0.6739432	-0.96789324	-0.44461784	0.98463833	-0.39881283	-0.18342857	-0.99970704	0.09184464	-0.94731647	-0.38172865	-0.62521166	0.092993185	-0.6715983	-0.15578413	0.53311	0.28435662	-0.67505157	-0.5870187	0.68899995	0.70743495	0.50230384	-0.99983627	-0.9999999	-0.81191164	-0.43255362	0.872337	-0.3165645	-0.15034032	0.59031093	0.45637655	0.67915046	0.48100728	0.6596058	0.716401	0.17833558	-0.16332789	-0.3452005	-0.28188896	-0.27076483	-0.5407603	-0.037285227	-0.99917305	0.90077597	0.9000503	0.5551678	0.2511227	0.51736563	0.7905489	0.7964951	0.7790875	-0.3848703	0.7177091	-0.73778284	-0.5675155	-0.86380017	-0.5119258	-0.96966887	0.19024368	-0.8032597	0.2953477	0.801965	0.086050585	0.24931395	-0.7280116	0.8933444	-0.99994826	-0.12564795	0.62874067	-0.38021412	-0.7818448	0.3996133	-0.17506656	0.7235845	0.3881802	0.49537992	0.54045844	0.99436194	-0.225467	0.3099669	0.46150106	0.43125317	-0.1910826	0.9998758	-0.35744858	0.75684506	0.56333864	0.38695496	0.33985665	-0.31844196	-0.9994052	0.4643876	0.32503992	-0.6078483	-0.9125998	-0.19867912
598	0	COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC	0.96609175	0.60392046	-0.32106027	-0.6984555	-0.34319127	-0.23412427	-0.69026476	0.25774992	-0.54736537	0.3366524	0.21103513	-0.18999045	0.25520942	0.37358695	0.4128716	0.30324587	-0.620055	0.016872926	-0.09000938	0.40279225	-0.24979068	-0.7219478	-0.67472684	-0.0466596	0.057273373	0.16206174	-0.016015131	-0.07448738	-0.35466984	0.39518335	0.21756789	-0.15828016	-0.2089198	-0.25838083	0.34781018	-0.7193703	0.7808858	0.4205459	0.9980016	-0.074923575	-0.83024704	-0.4612475	-0.055814996	-0.29465404	-0.12857924	-0.5166372	0.007904556	-0.19448303	0.22903737	0.3048654	-0.7124704	-0.26644337	-0.08380963	0.50588894	0.29856387	0.9524473	-0.2581356	-0.27519774	0.24170764	0.11205993	0.5564792	0.2906066	0.1356045	-0.6011978	0.17990857	0.5264884	-0.6783608	-0.60234684	0.5126026	0.51415235	-0.906888	-0.99774224	0.6272779	0.06239277	-0.49995616	-0.58908325	0.2152558	-0.6058995	0.7139848	-0.9999462	-0.7855068	-0.112587824	-0.82380104	0.32824874	0.5524889	0.5719578	-0.18575965	0.61710435	-0.70735896	-0.52178323	-0.39824122	0.09341598	0.22717874	0.033053212	0.99995047	-0.1359421	-0.95046455	-0.2742073	-0.030232564	-0.4239526	-0.39519453	0.22235547	0.06110551	0.7993282	-0.9895389	-0.5652941	0.29025543	0.05328398	-0.99999994	0.29420927	0.3235432	-0.42878386	-0.43488103	-0.6579242	0.07817052	0.5467502	-0.23223196	0.20225729	0.9938886	-0.40691775	0.15902747	-0.27603546	0.035084687	-0.6021421	-0.55459076	-0.74364716	-0.77046865	-0.34226283	-0.034111477	0.93392307	0.045706384	-0.06102487	0.27029786	-0.26994503	-0.4184672	-0.9703243	-0.4427437	0.846552	-0.88211405	0.90074706	-0.9905272	-0.044719424	-0.21234936	-0.6915445	0.27246276	-0.5196598	-0.33788642	-0.5727605	-0.91025454	-0.530273	-0.319215	0.9796671	0.5831304	-0.25809735	-0.46777967	-0.3734759	-0.27097988	0.28325945	-0.7069416	0.99838233	-0.8137287	-0.818505	0.21589667	0.080755405	-0.62228656	0.18317133	0.2272905	-0.054191988	-0.37711886	0.63946444	0.2591395	-0.27102247	0.8333137	0.66857696	0.6248992	-0.8828393	-0.67511076	0.022815093	-0.07270281	-0.37293148	-0.65714264	-0.9983905	0.091383986	0.33628747	0.33781677	-0.4587384	0.09531461	0.5551956	-0.3489133	0.51318765	0.45030096	-0.38793245	0.01896197	0.7084315	-0.40074113	-0.54183763	0.021773737	-0.8610856	0.021782534	-0.51380175	0.8407395	-0.10441009	-0.33047238	-0.4517574	0.019346181	-0.12690154	0.6906603	0.675251	0.4267281	-0.9999542	-0.5947374	-0.1779812	0.28781277	0.5787681	0.6422502	-0.0509541	-0.46178105	0.47345218	-0.86240697	0.30736193	-0.40489605	0.04765518	-0.6307779	-0.16834038	-0.9756716	0.24596514	-0.07141023	-0.535348	-0.30233142	0.70322376	-0.784197	-0.4173665	-0.69517905	-0.64930946	0.38535234	0.30568397	-0.2965226	-0.104057625	-0.47150493	0.3816914	0.79666245	0.2041562	-0.0740114	-0.017237028	-0.3124401	-0.61543834	0.62514156	0.6240702	0.40557915	-0.2934759	0.8852811	-0.9978712	-0.2413848	0.6845527	-0.8322787	0.24137138	-0.1960206	0.6045226	0.118026525	-0.70523053	0.07821953	-0.325863	0.66088855	0.30796295	0.34076947	-0.00469931	-0.76855516	0.51898706	-0.79313236	0.21356508	0.16232343	0.9971232	-0.20292377	0.4766614	0.6548853	-0.9441282	0.51875085	0.9270904	0.85627437	0.67053974	0.120285496	0.9914736	-0.3908015	-0.73966175	0.57207036	-0.2823638	-0.4654004	-0.9929619	-0.9999964	0.6360836	0.26408857	0.9575647	0.055801503	0.7369609	0.855256	0.28722712	0.9970392	-0.002636747	0.44302025	-0.28154016	-0.35787365	0.48076573	-0.315675	0.3911875	-0.5489895	-0.1709556	-0.79326606	0.8598735	0.32900465	0.8308405	0.47855985	0.21321964	-0.30649582	0.124766015	-0.8418674	-0.0823604	0.290051	0.096799485	1	0.47878438	-0.43599907	-0.3166644	0.31924716	-0.5370391	0.17486435	-0.3347171	0.095445745	-0.6806929	0.6759973	0.63630277	0.2482472	0.1306555	-0.007504419	0.5677975	0.005495908	-0.890512	0.59841704	-0.2257697	-0.6085317	0.010129034	0.43710613	-0.32178873	-0.9450867	0.42584106	0.47413775	0.4922865	-0.6109608	0.56998324	0.03248164	-0.85333955	-0.8137267	-0.32513478	0.051692754	-0.025006961	0.6416588	-0.27625203	-0.14743087	0.99983877	-0.041992225	0.8909979	0.76500905	-0.31429622	0.8588342	0.094644755	-0.28229716	-0.5682289	0.1550905	-0.25582755	-0.4561358	0.64098096	-0.2746715	-0.18397062	0.32305717	-0.08348943	0.19661902	1	0.2933656	0.6282177	-0.2912377	-0.6533674	-0.09757189	0.47010612	0.07511085	0.15325215	0.5568268	0.14126632	-0.43320528	0.09177999	0.35668373	0.6691635	-0.6032788	-0.13840921	-0.1352934	0.3737874	-0.6911362	-0.9425149	-0.08928278	0.13655095	-0.63783765	0.5817807	0.9921442	-0.34731624	0.8747662	0.34715468	0.4671708	-0.000829101	0.8231192	-0.023308367	0.830803	-0.5358018	-0.7059525	-0.058837738	0.27805185	-0.13723315	0.7310809	-0.66989124	-0.99998343	-0.58896554	-0.92811894	-0.38742268	0.99956584	0.21506818	0.4144211	0.74684215	-0.3770313	-0.5406112	0.19218472	-0.19667035	-0.20103018	0.21558276	0.027815264	0.679406	0.8170282	-0.6953937	-0.85957736	-0.628165	0.03814821	-0.6079367	-0.9997733	-0.9972826	-0.7158621	-0.013645778	0.6965767	-0.27021345	-0.37638107	-0.18324576	-0.83553195	0.30609185	0.82624286	-0.001709564	-0.5861505	-0.2740855	0.6160064	-0.06940426	0.30842564	-0.2405488	-0.76014054	0.074430086	-0.99958515	-0.45784834	-0.40633425	0.89288294	-0.8614415	-0.4667357	0.8151861	0.40367687	0.73349464	0.48345292	0.34530953	-0.14214966	0.09630814	0.8771534	-0.7721537	-0.5125871	0.07577397	-0.887564	0.80157006	-0.7142799	-0.11711658	-0.44993913	-0.72996336	0.8812944	-0.99203515	-0.72960645	0.47369033	-0.2884496	-0.6221206	-0.5267831	0.14613731	0.5945498	0.15453112	0.29329497	0.3236597	0.99252474	-0.672038	0.06950925	-0.43555018	-0.6407902	-0.68468726	0.9999937	0.6426028	0.7160678	0.5542803	-0.10484145	-0.3618741	0.10877323	-0.9979231	0.80359125	-0.8267769	-0.8487856	-0.53224957	-0.42130154
599	0	Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1	0.644879	-0.10140039	0.17921418	0.5242497	-0.14317344	-0.005596687	-0.34526077	0.16833968	-0.09106831	-0.18862371	0.24549621	-0.25971645	0.2659919	0.5770309	0.058954436	0.4525103	-0.3794748	-0.5675463	-0.5128331	-0.599883	0.58589005	-0.63342994	0.30575746	-0.17321722	0.09018896	0.44735718	-0.003546443	-0.4631122	-0.3060486	-0.6647321	-0.37502563	-0.024077686	-0.6990331	0.14926258	0.33137718	0.2937229	0.43045557	0.62498564	0.99131787	0.1673683	-0.97686905	0.45926225	-0.39296874	-0.16186564	-0.12107731	-0.80177385	0.14364524	0.34440115	0.4969358	-0.15417892	0.41387346	-0.23143019	-0.4208085	-0.010282703	0.097194046	0.4031866	0.37935352	0.07676725	0.35888058	0.45002228	-0.5134685	-0.21605198	0.46284473	-0.18140866	-0.066294916	0.16835977	0.17195484	0.83559674	0.1612887	0.8733202	-0.7204337	-0.9982661	0.123334974	0.54281694	0.20853828	0.072371215	-0.40946302	0.08757028	0.58958167	-0.99983567	-0.6367886	0.09128915	-0.7736624	-0.15461576	-0.23581482	-0.3578108	0.66810495	0.3326751	0.42233765	0.63451993	-0.44907665	-0.19524193	0.2805263	-0.6636129	0.99976283	0.2996393	-0.61090255	0.7047178	0.121951744	-0.52631533	-0.20723297	-0.5325889	0.5626484	0.9842084	-0.94196284	-0.5341804	-0.1828184	-0.089996815	-0.99968857	0.2164738	-0.20384134	0.34733745	-0.64481646	-0.00219684	-0.70119476	0.34548038	0.24395922	-0.17553149	0.99578553	0.091799565	-0.7358279	-0.28713003	0.2840213	-0.34776753	0.19212338	-0.19831426	-0.23968117	-0.24845868	-0.3658079	0.9960622	-0.0569606	0.7849176	-0.43440652	-0.09659989	-0.104343146	-0.9463946	-0.06587269	0.13908724	-0.69395596	0.77626497	-0.9999596	-0.5518444	0.44158548	-0.074676596	0.37768215	-0.18813094	-0.012116912	0.21137512	-0.31629503	-0.13202009	-0.7449286	0.8317634	0.48955068	-0.24135046	-0.08273396	0.6170903	0.17847109	0.76019865	-0.37556648	0.9224294	-0.8875996	-0.3841735	-0.3693043	0.18749532	-0.68653536	-0.5052744	-0.05850412	-0.6302962	0.7760908	0.005474937	0.073052905	-0.13559633	0.2949676	-0.17540838	0.14257945	-0.87476856	0.93029004	-0.31582633	-0.20717853	-0.2915588	0.6787179	-0.98884326	-0.056257345	0.17189205	-0.29870313	-0.79930204	0.53213894	-0.20937748	0.34591118	0.4209807	-0.45719016	-0.4154834	0.21310894	0.28015715	-0.3475766	-0.31279403	-0.22065705	-0.61052966	0.085321516	-0.042904265	-0.022315389	-0.8221632	-0.46695694	-0.2251784	0.067201145	0.6554183	-0.045295108	0.10625146	-0.22021294	-0.99977994	-0.5359338	-0.064468645	-0.2953559	0.16964504	0.07377955	-0.3053532	-0.4492195	0.001667766	-0.319043	0.49903533	0.3445143	-0.005363772	-0.5626294	0.20305137	-0.88300586	-0.24552295	-0.12318049	0.26213714	0.07078739	-0.4671894	-0.70441425	-0.08318906	0.06412404	-0.23591702	-0.30821732	0.21795891	0.46929276	0.3861474	0.045893136	-0.011386473	0.8296145	0.08155689	0.24833718	-0.795445	-0.6264261	0.10415778	0.38267934	-0.14694157	-0.47765246	-0.25920838	0.37837902	-0.9725933	-0.7338044	0.6560335	0.33986887	0.014058542	0.14506066	0.008406001	0.25861484	-0.28561434	-0.7047541	0.66706634	0.65940815	-0.7816472	0.13876736	-0.42405158	0.14939088	-0.25494742	0.38690966	-0.06455747	-0.049316272	0.86201936	-0.18712382	-0.4055674	0.22026902	-0.07129203	0.44563118	0.796215	-0.3088309	0.4308159	0.2620543	0.99821126	-0.4334915	-0.27428055	-0.0282623	-0.5115994	-0.5612966	-0.7704859	-0.9974273	-0.18729724	0.51402605	0.9860165	-0.08080662	-0.47792652	0.54491824	-0.002398993	0.9999722	-0.76042926	0.70478094	-0.1980097	-0.7529967	-0.031403054	0.035920847	0.59521425	0.29118952	-0.17707275	-0.62315917	-0.15653697	0.88623625	-0.49146444	0.19192588	0.6327239	0.36421037	0.609507	-0.725284	-0.45554212	0.6299585	0.4777622	0.9619377	-0.28031734	0.17479257	0.6386926	0.042998128	-0.21720888	0.2720647	0.43834126	0.4833891	-0.9000746	-0.15117414	0.08223336	0.1734885	0.62274665	-0.14202417	0.057522137	0.06322636	-0.8311527	-0.5177072	-0.39715284	0.36212385	-0.041600928	0.58256876	0.2513065	-0.35973275	0.7846045	-0.29325107	-0.23862597	0.120620355	0.5997529	-0.46284503	-0.6915053	-0.9559299	0.18007773	0.1923127	-0.62994164	-0.5534383	-0.73981327	0.34906238	0.99976265	-0.58130646	-0.06006402	0.21186912	0.296215	0.2846444	-0.02781068	-0.027340533	-0.09761437	0.1671457	-0.43758243	-0.45403513	0.02456731	0.59110534	-0.40347245	0.06509792	0.32478696	-0.25148004	0.9986015	-0.34092006	-0.5294285	0.5188884	0.08839441	0.17515348	-0.053224724	-0.14020658	-0.5103013	0.47027904	0.2994304	0.43190074	0.67602646	0.004279758	0.011915517	0.6940474	0.105584614	0.47887468	-0.2032782	0.33302495	-0.6295191	-0.29770634	0.43169746	-0.63343185	0.51253	0.8516431	-0.3654829	0.6299857	-0.0908629	0.6045514	-0.35017806	0.44114685	-0.15300122	0.49012375	-0.405699	0.25482792	-0.40519625	-0.09244389	0.23745248	-0.18443741	-0.0648497	0.95689213	-0.008683397	-0.9160138	0.37445617	0.99969655	-0.19304396	-0.33350626	-0.98520344	-0.5698404	-0.74650514	0.13774414	-0.37756306	-0.5707069	0.29963094	-0.15975435	0.52099437	-0.4242037	-0.25005674	0.09461964	0.3531534	-0.057367813	-0.40287882	-0.99997324	0.98942745	-0.6773722	-0.1280973	-0.5199481	-0.44548425	-0.22060002	-0.029210903	-0.8733687	-0.4741432	-0.19563246	0.37223414	-0.24494988	-0.48986122	-0.39784697	0.30183256	-0.31115627	0.85659915	-0.34463468	-0.30614012	-0.9998492	-0.048679024	0.12402207	0.291585	-0.36446294	-0.33920684	-0.32584882	-0.08312673	0.30264157	0.38221	0.42299002	-0.791722	-0.68648183	0.89761853	-0.2833253	0.7913722	0.019436022	-0.070629954	-0.05024293	-0.7621312	-0.71620697	-0.25426412	-0.1973663	-0.031395037	0.2909519	-0.7414225	-0.3987371	-0.19990733	-0.4726249	-0.26805255	0.20301801	-0.58911186	0.13105965	0.45157933	0.48757723	0.9746437	0.052608673	-0.78665143	0.11819868	-0.6951103	-0.26738685	0.9999129	0.21265385	0.261849	0.003513594	-0.504893	0.19375521	-0.5263619	-0.9931668	0.41985217	-0.42555472	-0.3619345	0.067673236	0.39598465
600	0	CCON=C(CC)C1=C(O)CC(c2c(C)cc(C)cc2C)CC1=O	0.69927007	0.109216176	-0.21624006	-0.003430827	0.8363012	0.35968024	0.20781432	0.03878775	0.33673164	-0.43267435	-0.82666755	0.30948633	0.33143458	-0.3407543	0.14117672	-0.7864829	0.6148397	-0.07378397	0.46420786	-0.723597	0.072038636	0.13923423	0.3472281	-0.8046925	-0.5179694	-0.21651046	0.37107295	0.041149504	0.046209447	-0.16142122	-0.6317552	-0.23110649	-0.6097052	0.114741966	-0.3533951	-0.263859	0.31038842	-0.57881594	0.9993393	-0.39159194	-0.75321877	0.0823457	-0.61301553	0.09282731	-0.074926525	-0.016910488	-0.18454713	0.25640982	0.98799807	0.5077699	0.4405983	-0.49324027	0.4859809	0.64695466	-0.49811804	0.10483532	-0.41029114	-0.5032042	-0.12500684	0.19032715	-0.15991016	0.49705487	0.21689405	-0.37427384	-0.83111006	-0.20353009	-0.73905754	-0.33637482	-0.058481246	0.37044826	-0.69814885	-0.48103136	0.59475565	-0.06575451	0.4910034	-0.35951233	-0.030936476	-0.16085671	-0.16853711	-0.9997107	0.2642425	0.23060769	-0.8735122	-0.3852251	0.019819822	-0.8872926	-0.06402719	-0.17984274	0.16491547	0.60634035	-0.7118617	0.4350131	-0.39465114	-0.03954864	0.9983541	0.67462	0.35966057	0.32824573	0.129678	0.34129253	-0.447891	-0.27324906	-0.16903193	0.4571297	-0.99744856	-0.35343918	-0.65394795	0.047396634	-0.91154325	-0.13396999	-0.07905837	0.7527573	0.008548617	-0.2803452	0.6606071	0.2157273	0.8665944	0.18197452	0.97853255	-0.45857513	0.21241361	0.91409814	0.7005706	-0.3487744	-0.5475457	0.07303619	0.6583363	0.07188902	0.006611839	0.99989426	0.4085289	-0.11188286	-0.04591356	0.64392376	-0.6220313	-0.9016661	0.4973422	0.64161074	-0.65933526	-0.6998908	-0.99998367	0.8653574	0.90212727	-0.31764022	-0.34829807	-0.7932792	-0.29194474	0.23965174	-0.9828574	0.30631503	0.62805533	-0.934716	0.2570197	0.32182536	0.18302587	0.21257788	-0.13869102	-0.518237	-0.76911396	-0.6279105	-0.59210855	-0.7320204	0.35003176	0.27933446	-0.38653597	0.3141224	0.17284915	-0.52794296	-0.1886367	-0.26871258	0.048173435	-0.57935244	-0.35850978	0.2910635	0.15698919	-0.70970225	0.4260691	0.37693664	-0.18002646	-0.17013466	0.8726615	-0.859208	-0.8125938	-0.30481917	0.77860016	-0.019536562	-0.64600104	-0.46673632	-0.26486287	-0.33081335	-0.12531948	0.27011862	0.21919872	-0.032912582	-0.4485566	-0.6244877	-0.6683138	-0.6223367	-0.21605927	-0.1292294	0.46779993	-0.22942325	-0.3342135	-0.23471291	0.5488427	-0.1713083	-0.2818307	0.19099952	-0.015848553	-0.9998803	0.5732633	-0.23875129	0.80306965	0.40428802	0.70655125	0.2661353	0.116534255	-0.52177787	-0.50772464	-0.7219434	0.29503968	-0.30499572	-0.5817299	0.37422037	0.95139027	-0.12100231	-0.007535503	0.18600975	0.15841903	0.36028826	0.17436695	0.17986926	-0.07773654	-0.07284506	0.2626443	0.1972254	-0.3699423	0.035686698	-0.2707509	-0.1543107	0.79563355	0.19442527	-0.7330003	-0.04271911	-0.46130234	0.1590945	-0.68268484	-0.4552195	-0.6870679	-0.38379824	-0.21965511	-0.9753908	-0.36340845	0.7059611	-0.000126652	-0.510392	0.40726635	-0.8586264	-0.77727175	0.718266	0.46212465	-0.543883	-0.21627423	-0.06378254	0.25121662	0.3068594	-0.059795637	-0.009970532	0.86064214	-0.447921	-0.394131	0.99976164	-0.1564732	-0.703329	0.5219676	-0.7968509	-0.6426209	-0.48506102	0.63217485	-0.058740135	0.8400838	0.9909936	-0.44966274	-0.743115	-0.26015922	0.31524923	0.289065	0.6736066	-0.31087965	0.52916634	0.1397336	0.80103153	-0.24973945	0.8468039	-0.5888273	-0.49652576	0.99997765	-0.9939495	-0.051461786	0.18580465	0.86754596	-0.5521447	-0.7091786	-0.7570638	0.20559546	-0.91521037	-0.96866566	-0.05853858	0.3336287	-0.43994567	0.15080866	0.14104882	-0.55667377	-0.40592566	0.35742396	-0.5443729	0.50494915	-0.02908368	-0.9698471	-0.2889823	-0.66814435	-0.29718968	0.20999548	-0.91643625	0.2876357	0.13192654	-0.33807752	-0.8746171	-0.464541	-0.2243393	-0.43015334	-0.7220927	-0.5127616	-0.5989911	0.44923094	0.77644783	-0.357962	-0.22923048	-0.19487746	0.797543	-0.3799337	0.40955234	0.58431536	-0.07192687	-0.2533585	-0.18198116	0.09088486	0.5952449	0.81765926	-0.8641853	-0.8255332	0.07592803	0.43527877	-0.07252491	0.41298452	0.28109252	-0.64448375	0.9996239	0.3071061	0.03358454	0.46937275	0.12437999	-0.09461338	0.6862755	-0.9327766	0.052736957	0.6590374	0.512651	0.060458258	0.43497008	-0.66622704	0.70283043	0.6705728	-0.76540554	0.06964719	0.98948014	0.6886539	0.48245394	0.822825	0.12890463	-0.541138	0.32711232	0.2611626	-0.27407193	0.16233154	0.30321753	0.46105665	-0.5848544	-0.30778483	-0.23069572	-0.10377663	0.09825177	0.20756668	-0.8432895	-0.21907075	-0.768001	0.039989572	-0.93180376	0.47912088	-0.38783777	0.5310532	-0.052325502	-0.7469177	-0.33727896	0.33352202	-0.3602394	-0.2485056	0.49988687	-0.403806	-0.2645321	-0.14393227	0.67045724	-0.37467036	-0.5784953	-0.53650016	0.4840244	0.9999255	-0.44785672	-0.9748088	0.7250034	0.9992864	0.44111034	-0.8089338	-0.99969053	0.5190688	-0.51398176	0.24580263	-0.8044698	-0.345752	-0.39609247	0.7779067	-0.79718703	-0.55793923	-0.31177947	0.34354237	0.475034	0.3930861	0.77872366	-0.99988365	0.9967785	-0.3543197	-0.12174274	0.8530284	-0.3834844	-0.25218013	-0.18484929	-0.4115003	0.20253336	0.08502274	0.7133454	-0.33409142	0.32581055	-0.4718386	-0.2787598	0.20629105	-0.6065617	-0.27544072	0.73479337	-0.99962103	-0.42201748	0.17932647	-0.34131515	0.6521647	0.038054254	-0.78303725	-0.38318193	0.093960926	-0.16312319	-0.40057504	0.5499945	0.5089396	0.9701968	0.22506765	-0.124786936	0.017590435	0.50994265	0.2450112	0.10325381	0.2004543	0.533154	-0.78958416	-0.5725485	-0.9924772	0.7139906	-0.64892143	-0.122187816	-0.10961082	-0.5199804	0.46060348	-0.19679527	0.19474286	0.23721746	-0.40485653	0.9969558	-0.10221391	-0.22465321	0.64673305	-0.09804753	0.4553907	0.99986345	0.39722338	0.17528886	0.26482567	0.65440285	0.06287165	0.01823438	-0.99836326	0.47110388	0.6783149	0.35712034	0.37732622	-0.5601105
601	1	NC(=O)Cn1c(=O)cc(CCN2CCN(c3nccc4sccc34)CC2)c2ccc(F)cc21	0.140473	0.46223745	0.7248203	-0.31888658	-0.64232266	0.16395913	0.54829794	0.2629606	-0.4900709	0.6286434	-0.08086448	-0.3060509	0.27476707	-0.10048478	-0.7357988	0.6832173	-0.4588635	-0.2555843	0.39822766	-0.4895684	0.3093949	-0.002102744	-0.73959327	-0.28240544	0.23417148	0.41984245	0.57036996	-0.08822021	0.2676065	-0.3499954	0.062106013	-0.4346147	0.564778	-0.02970189	-0.8918749	-0.44902098	0.13092397	0.48884502	0.99974257	-0.2262155	0.08478497	0.65351146	0.71724445	-0.25199848	-0.1064091	0.96442795	-0.11218558	0.2554804	0.2490042	-0.5870404	-0.2393122	-0.3062143	0.048814673	0.44798154	0.48416886	-0.5186831	0.2519902	-0.97214293	-0.6896299	-0.12784272	-0.076314874	-0.2049544	0.29767525	0.7567488	0.4859549	0.48231298	-0.4629672	-0.52217716	-0.018478023	0.29198387	-0.99225867	-0.9724868	0.001921383	-0.5916034	0.24952209	0.056682505	-0.003904995	-0.76319915	0.51030207	-0.9994116	0.16949445	0.18767653	-0.9276244	-0.5588882	-0.100824386	-0.76792836	0.5100981	-0.44939837	0.8140999	0.7697498	-0.5248255	-0.35825795	0.064637735	-0.81625974	0.9995192	0.36701095	-0.18857373	-0.5042423	0.102708384	-0.012270371	-0.14720596	-0.23100199	0.63197345	0.97964334	-0.9997682	-0.81457573	-0.1942799	-0.47387716	-0.91502494	0.26204053	-0.67021686	0.8446016	-0.26641268	-0.08794623	0.18826969	0.7449416	-0.5860012	-0.08791126	0.08276516	0.55333817	-0.8078236	-0.055454165	-0.6221406	-0.2384854	0.16235363	0.3692603	-0.58368576	0.6153856	-0.550666	0.99657947	0.17024049	-0.03442965	0.5634775	-0.5608023	0.09184504	-0.95572764	-0.26483417	-0.18571652	0.34548184	-0.66937613	-0.9999989	0.5927704	-0.5751766	0.43709075	0.215575	0.2614404	-0.70175475	-0.13885765	-0.9996187	0.5263875	-0.6014959	0.38026968	-0.33272153	0.25676042	0.16857359	0.41543743	0.11325857	-0.99327886	-0.20195308	-0.69408786	0.68050957	0.3023827	-0.6682868	-0.55638534	0.35403684	-0.58045083	-0.34718868	0.5733453	0.55243546	-0.09990987	-0.028427754	0.9120643	0.7695894	-0.4924087	0.13511558	-0.09174226	0.21150964	-0.121049486	-0.30014467	0.2218878	0.28265646	-0.95159143	0.7536694	-0.4742612	0.78518164	-0.15144607	-0.26779428	0.13166621	0.30459937	-0.046751335	-0.34456116	0.1646398	-0.42850444	-0.52576864	0.6984543	0.080115356	0.5808979	-0.59255594	0.20129809	0.41477883	-0.74250233	-0.20576456	-0.55102766	0.5600303	0.53394425	-0.3548676	-0.70709306	-0.9145162	-0.3375758	-0.9996872	0.3917289	0.04977364	-0.6561844	0.36822882	-0.43287587	0.57587004	0.7418517	-0.7760752	0.7627472	-0.23654185	-0.22112963	0.80549943	-0.47712037	0.19323097	0.9434468	-0.5930111	-0.5656185	0.008151253	-0.57690597	-0.74581313	0.45479348	0.012639218	-0.17513189	0.23552482	0.8482277	0.008510547	0.7253555	-0.03355551	0.36978522	0.6974208	0.5548448	-0.004342309	0.79865885	0.44859678	0.6523737	0.38346583	0.07904228	-0.1885996	0.55178046	-0.07595216	-0.52669317	0.64294124	0.30948812	-0.56814283	0.465651	0.13341154	-0.5876081	0.4740855	-0.49932563	0.128032	-0.3040469	-0.7845261	-0.057591613	0.6102854	-0.48063233	-0.53157175	-0.20827837	0.16612709	0.8622317	-0.7113128	0.86097616	0.9993164	-0.29376483	0.77127177	-0.27492937	0.72540677	0.12398748	-0.18557444	-0.7219008	0.30708703	-0.46664777	0.8087198	-0.2022927	-0.44009557	0.23671754	-0.46458894	0.5142427	0.7125439	-0.7633291	0.7462932	0.029254448	-0.8719506	-0.60944486	-0.5454833	0.3680898	0.2148548	1	-0.8793883	-0.095097765	-0.010022143	0.07405726	-0.4782135	0.2834755	0.58789057	0.6223944	-0.470055	-0.99982774	-0.3487272	0.8617985	0.27302334	-0.47091648	0.1520147	0.8474145	-0.584437	-0.37376362	-0.015865225	0.73633474	-0.3897201	-0.96384877	0.51747036	0.7334498	0.1378099	-0.6833436	-0.540258	0.631322	0.47017685	0.30660757	-0.40014637	-0.7247004	-0.66430473	0.25030723	-0.11784216	-0.09854578	0.7172628	-0.5281394	-0.37464032	-0.720681	0.25892785	-0.75259334	-0.54986507	0.39303643	0.057224337	0.5262628	-0.022092553	-0.40290526	-0.7543167	0.29777828	0.7514118	0.059727464	-0.9904483	0.37062407	0.15121692	0.26306647	0.6597331	0.31680575	-0.06905469	-0.6108504	0.9969039	-0.442638	-0.46332517	-0.112820484	0.5325701	0.67172736	0.38227367	-0.75411713	0.6702631	-0.150921	-0.048031427	-0.035577074	0.5068488	-0.39044535	0.3984576	0.22249474	-0.83220893	0.35359937	-1	0.39472497	0.35329777	0.7176456	0.08959023	0.8386199	-0.5706147	0.79972976	-0.55645305	0.2944537	0.30911192	-0.75090903	-0.17523804	0.34169778	-0.81316465	0.056933764	0.09667858	-0.541034	-0.32992068	0.0394862	0.7097149	-0.37736154	-0.19659312	-0.7989558	-0.082501054	0.98541856	-0.25280094	-0.601933	0.30954376	-0.5392098	-0.097172	-0.75496477	-0.74692714	-0.34626046	0.5135741	0.34949833	-0.17875561	0.6323666	0.30229092	0.29749873	0.64953536	0.9998922	0.15269247	-0.94412196	-0.10028736	0.99812245	-0.5970366	0.24198608	-0.99932283	0.4647772	-0.9683901	-0.50798863	-0.6869811	0.062312223	-0.5304109	0.47704965	0.092061006	0.32700542	-0.17511015	0.069366805	-0.48559165	0.17261454	-0.37961325	-0.9994797	1	0.9517601	-0.5012551	-0.25671735	-0.84415275	-0.706159	-0.5831259	0.20832366	0.33073586	-0.29327983	-0.2270277	0.098772585	-0.3641255	0.4009325	0.49777249	-0.5755821	0.27024817	0.56839967	0.9931967	-0.9866913	0.48200727	-0.41378763	0.21087995	-0.30646795	0.6438162	0.10633409	-0.28369755	0.010295153	-0.025401153	-0.2212813	0.57732713	-0.025810013	0.9608352	-0.35903203	0.9050077	0.4880492	-0.551751	-0.20168547	0.47219744	-0.34066713	0.58057445	0.36555904	0.16758677	-0.5077695	0.32897702	0.23921105	0.04109807	0.7178357	-0.61977327	0.098854765	-0.14337586	0.2490469	0.4935939	0.06305089	0.99977314	0.5699923	-0.7007536	-0.12146495	0.2644585	-0.21375044	0.99984604	-0.49192873	-0.08559373	-0.8966634	0.14108913	0.1518042	-0.06465422	-0.9987369	-0.34794518	0.06336897	0.13800327	0.27179012	0.25535944
602	0	CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1	0.17962286	0.05612053	0.027212622	0.21753217	0.7135505	-0.5732841	-0.3847686	-0.37271944	-0.38398778	-0.6627489	-0.34513256	-0.3908251	-0.4808782	-0.42830518	-0.14995465	-0.5257695	0.2532209	-0.4549906	0.62103045	-0.15265511	0.1539754	-0.40633878	-0.6605223	-0.6619668	-0.70178795	0.4718766	0.09632299	0.1759999	0.18633825	0.35103995	0.3509249	-0.35832125	0.14372334	0.2769169	-0.11551355	0.75117314	0.36620626	-0.07215698	0.99227417	-0.7997945	-0.83497167	-0.10877242	0.5255993	0.25332493	0.012351777	-0.75682384	-0.041161973	0.7176449	0.96568316	-0.38853598	0.67899203	0.31266665	-0.7507345	0.25741616	-0.6339134	-0.1768766	-0.49302393	0.15679488	0.044058032	-0.3651725	0.01831441	-0.33814907	0.2535862	-0.15858085	0.14498894	0.37229228	0.6332939	0.5195936	-0.6909246	0.49435207	-0.39834642	-0.96668273	-0.41119114	-0.031249896	-0.37333962	-0.23374847	0.17098434	-0.3818952	-0.57114476	-0.9997163	0.64377356	-0.5186869	-0.92197955	-0.55290544	-0.2511297	-0.58139306	0.4525268	-0.4685806	-0.6692163	-0.3006505	0.52568907	0.78366244	0.4555426	0.48528948	0.9971151	-0.32324278	-0.13509458	0.000843903	0.2773646	-0.39668474	0.20743103	-0.6034743	-0.28753662	0.9397304	-0.956252	-0.9507661	0.33760247	0.7723125	0.9913266	0.04821097	0.030049838	0.020021932	-0.32383657	-0.47600213	-0.5689087	0.5474925	0.41298023	-0.3797368	0.9968159	-0.005162101	-0.07602754	-0.102644086	-0.022445684	0.24315752	-0.4499077	-0.52714145	-0.13483107	-0.5667921	-0.3635035	0.998938	0.38314554	-0.5703608	0.073104635	0.05217969	0.07613428	-0.9763466	-0.4644318	0.24195288	-0.15150787	-0.49527377	-0.9999828	-0.2265666	0.82461816	-0.28198683	-0.25899366	0.20574662	0.15854457	0.31044218	-0.31201458	-0.29099464	0.50847256	-0.9317704	-0.22721143	0.244413	-0.06638112	0.12079202	0.6841074	0.86403733	-0.8172666	-0.914759	-0.93199	0.11741101	-0.73406905	0.059526198	-0.007382076	-0.609651	0.24934326	0.2974375	-0.27776456	-0.72407967	0.25929648	0.83755463	-0.22903751	-0.2873089	-0.37148702	-0.27285406	-0.60662526	0.15000913	-0.39686233	-0.3332326	0.58146155	-0.91178924	0.26675826	0.3989106	0.17695968	0.47259322	0.6012845	0.25952172	0.12205257	-0.50181085	-0.5776923	-0.7810213	-0.6728164	0.4084609	0.6636976	0.018127041	0.3380543	-0.70909274	-0.16396262	0.59052795	-0.24930151	0.17226014	0.37527522	-0.5259845	-0.020608103	-0.21493152	0.45583823	-0.018932678	-0.16789411	-0.9997303	0.124144144	0.757361	0.35361063	0.44690743	0.29759583	0.69980395	0.2439684	0.49359545	-0.052265603	-0.19317976	0.18585843	-0.547578	0.76704586	-0.5812101	-0.9811513	0.7154347	-0.49643198	-0.10732025	-0.15968406	0.52314246	-0.21616553	0.25708354	0.63857317	0.36890838	0.6200296	-0.64240175	0.5494116	-0.76856357	0.47832322	-0.2646053	0.9421952	0.16212378	0.664758	-0.5779906	0.49854982	-0.09217391	0.27202538	0.22984721	0.34497827	-0.3400637	-0.26132938	-0.96448934	0.42739633	0.25415593	0.1360843	-0.5415159	-0.5474339	0.47805074	0.4840238	-0.16774277	-0.17326464	0.47477922	-0.47748747	-0.45553437	-0.11769247	0.5824609	-0.6838707	-0.17062262	0.88782907	-0.19485533	-0.36366326	0.9881041	-0.5456604	0.4655174	-0.64520437	0.4076475	0.557878	-0.60642916	-0.002746012	-0.5625889	0.50067264	0.9986685	-0.023892986	-0.21288978	-0.29740447	-0.6346675	0.1682616	0.69312674	0.9692677	-0.43503398	0.093744725	0.989471	0.14207293	0.5124114	-0.089977995	-0.7724777	0.99999094	-0.9369566	-0.13161056	-0.006545388	0.26400098	0.55843055	-0.4911938	0.5329147	0.7853732	0.2524152	-0.45004356	-0.009278221	0.7034043	-0.004198628	0.24628842	-0.27318564	-0.7139215	-0.29331052	0.16637664	-0.08581509	-0.4162702	-0.5671817	-0.99995893	0.056646597	-0.23967458	-0.5463009	-0.43874633	-0.43220058	0.5289143	0.18962675	-0.083658956	-0.6530889	-0.1770476	-0.19526385	-0.22284248	0.07353917	-0.42139518	0.1804721	0.09118473	-0.05654836	0.54375994	0.34289092	-0.033087265	0.44988072	0.22579853	-0.40896696	-0.14357674	0.60673136	-0.002800779	-0.49818462	-0.6710571	0.16849156	-0.18171774	-0.36299565	-0.9595966	-0.023305243	0.2690329	0.40362495	-0.72133434	-0.2365344	0.04508506	0.9994905	-0.2508982	0.48355472	-0.2832717	-0.27392653	-0.3639305	-0.15597118	-0.55926055	-0.34457245	0.5575718	-0.30417657	0.65351534	-0.28435698	-0.053988732	-0.66088426	0.022056513	-0.34561852	0.5718322	0.9874369	-0.09084634	-0.6682882	0.5099414	-0.2318775	-0.235127	-0.29354906	-0.75820976	-0.32903042	0.025680277	-0.14563212	0.30579934	0.38870937	0.17434722	0.46061632	0.13106176	0.50330746	0.40860268	0.39282975	0.68055016	-0.6740303	-0.35396808	0.004787952	-0.16230875	-0.105152756	0.49242717	0.20463593	0.4142883	0.2623833	0.6147656	0.11052489	-0.7301017	0.010352226	-0.88174975	0.14753696	0.035578374	0.09323674	0.40864548	0.48667395	0.5006954	0.6690946	0.99999976	-0.6817867	-0.9729309	-0.2900481	0.99935997	-0.6888449	0.032462895	-0.9999189	-0.22079231	-0.4975815	0.18884741	-0.40870294	-0.45110214	-0.26232493	0.4936026	0.24244511	-0.122403175	0.037086774	-0.6741604	-0.71690583	-0.5993194	-0.31253988	-0.999978	0.9977052	-0.8056895	0.13194962	-0.63564295	0.22987945	0.6594486	0.007108866	-0.73081225	-0.546133	-0.3956859	0.78220403	-0.13770208	0.13806355	-0.2930918	-0.49238238	0.020790372	0.59759265	-0.45889118	-0.073012345	-0.9999068	-0.034242015	-0.07712321	-0.029471854	0.324264	-0.43025845	-0.6717829	0.3714704	0.11828344	-0.23969792	-0.21953559	-0.36765826	0.24995437	0.9684277	-0.11372646	0.6434552	-0.38860717	-0.5165615	0.009774249	0.23471366	-0.6829725	-0.39037114	0.50722873	-0.034815	-0.5382909	-0.3122445	0.033038087	-0.35486382	0.4497762	-0.5238998	0.2543854	0.38399675	-0.4541449	-0.17662671	-0.651531	0.96009356	0.25465804	0.20354825	-0.07027615	0.021411858	0.23206629	0.9999291	0.23398852	0.20562884	0.46582755	-0.44903424	-0.34817156	-0.44198158	-0.98960793	-0.36171475	0.51360166	0.011419736	-0.431468	0.11271523
603	0	CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1	-0.45144302	-0.12583338	0.24612796	0.36602557	0.5289166	-0.5078948	-0.43349826	-0.36748356	-0.45589495	-0.7153035	-0.5483147	-0.31691384	-0.32764146	-0.49784634	-0.29348764	-0.55843896	0.3008409	-0.095836245	0.4070667	0.15198272	0.068807356	-0.49138445	-0.3616445	-0.6558265	-0.45302317	0.49606642	-0.052830677	0.5765151	0.23961253	0.44223726	0.2182478	-0.17076226	0.27188572	0.7541207	-0.31134516	0.75934553	0.16310439	0.31221145	0.992354	-0.8257794	-0.4272737	-0.16201648	0.5141514	0.12905231	-0.044528056	-0.76276755	0.11217054	0.66838706	0.6095089	-0.24644075	0.75348616	0.24564086	-0.6364946	0.5251602	-0.65062237	-0.39273646	-0.5218707	0.18482117	0.31175026	0.099477194	-0.02221839	-0.32150862	0.15071823	0.12728506	-0.21122454	0.1152284	0.65706486	0.46027333	-0.6240373	0.4472383	-0.8001471	-0.96291906	-0.5498268	0.098150656	-0.40733165	-0.5157791	-0.004224157	-0.2450532	-0.5888831	-0.9988424	0.589093	-0.30579513	-0.91777045	-0.39119583	-0.10903823	-0.69826317	-0.00727656	-0.31252438	-0.7409552	-0.14682886	0.62491536	0.83701086	0.49822682	0.49404556	0.99407405	-0.37027803	0.12615415	0.06109015	-0.1008622	-0.3636112	0.14437829	-0.77900136	-0.37355265	0.9433246	-0.952524	-0.90476525	0.5159774	0.8331881	-0.78883797	-0.30020684	0.07960762	-0.029051444	-0.18901764	-0.31593642	-0.41926503	0.73641306	0.03788799	-0.35677296	0.99632955	-0.027152061	-0.45871177	0.26185882	0.22073245	0.4498402	-0.50068563	-0.38912132	-0.13049622	-0.65739274	-0.49088466	0.9989579	0.35013634	-0.63200575	-0.2584567	-0.10121623	0.20670864	-0.8970678	-0.3506668	0.6924507	0.014622952	-0.3002162	-0.99998575	-0.2780313	0.8929475	-0.2863119	0.051444717	0.14378953	-0.028702652	0.07373602	-0.2001611	-0.60524195	0.6425352	-0.83070767	-0.007391176	0.012782036	0.04745688	-0.44614097	0.6318794	0.8576481	-0.82547665	-0.042325642	-0.9244156	-0.05560177	-0.56844324	-0.13114524	0.39307094	-0.73740524	0.010186122	0.51529264	0.097284615	-0.77189505	0.41099033	0.6476619	-0.24111792	0.06490445	-0.47224864	-0.4035934	-0.69119817	0.2893942	-0.46326986	0.15860242	0.5485595	-0.71973336	0.19134593	0.36529893	0.5110427	0.40904775	0.73177797	0.2362005	0.24704444	-0.48661643	-0.45262155	-0.675417	-0.6625345	0.3715612	0.4323459	-0.14700693	0.49446118	-0.35742626	-0.105660245	0.66355395	-0.43258196	0.36280313	0.41252953	-0.6361909	-0.017705798	-0.1847557	0.26432496	0.13442478	0.07890667	-0.99967456	-0.006933229	0.73691773	0.3490697	0.51259756	0.4868417	0.62463874	-0.098352276	0.34275204	-0.0784821	-0.19289914	0.29358792	-0.5454289	0.83946556	-0.55450344	0.96953285	0.54530996	-0.42897218	-0.08779063	0.35789293	0.54018134	-0.14465901	0.123155564	0.42513838	0.7300968	0.657019	-0.45746794	0.4783983	-0.7526071	0.39082828	-0.18641157	0.92610824	0.20935415	0.4610539	-0.6534267	0.44302815	0.07177367	-0.19953814	0.19714214	-0.084915675	-0.39716968	-0.4684992	-0.96729606	0.2230259	0.19774123	-0.12466755	-0.40560797	-0.47608146	0.29105714	0.5105121	0.08779662	-0.008331341	0.34148842	-0.36002013	-0.43841568	-0.17910084	0.46271756	-0.7234082	0.114141725	-0.15903506	-0.10992361	-0.38887322	0.99174774	-0.3725779	0.76722634	-0.77718616	0.29678214	0.55611134	-0.3835026	-0.03770583	-0.7251854	0.5162979	0.99853724	0.042402867	0.11634117	-0.4599927	-0.20908119	0.099585705	0.31317732	0.62084645	-0.601463	0.20594949	0.9897151	0.021061182	0.50926036	0.09078144	-0.73229975	0.9999913	-0.9491561	0.001611462	0.024500838	0.0626001	0.44679776	-0.39801604	0.08938302	0.7500376	0.26319492	-0.50861096	-0.30999613	0.64372534	0.05107392	0.23912063	-0.3620141	-0.6777977	-0.042650137	0.5935054	-0.30723068	-0.33173403	-0.46321133	-0.9569971	0.38617626	-0.3894149	-0.655487	-0.05825753	-0.47867385	0.41590798	-0.002375701	-0.19944344	-0.47715062	-0.38086703	0.14253902	-0.42316362	0.16282468	-0.5258451	0.49988276	0.12556484	-0.020905055	0.39618644	0.49554157	-0.14768991	0.46615216	-0.25309902	-0.4737511	0.22292288	0.47664294	0.20191556	-0.28618187	-0.6629371	0.01686354	-0.20433414	-0.26430708	-0.95513743	-0.12140565	0.25659403	0.54314035	-0.34297138	-0.023625702	0.16842534	0.999575	-0.2036088	0.5382969	-0.43018445	-0.45089883	-0.34731498	-0.022165451	-0.44633394	-0.42182493	0.5961825	-0.15673956	0.59059656	-0.21207047	-0.38206446	-0.30490017	-0.08035256	-0.44694453	0.4740512	0.99212164	-0.19502352	-0.7509802	0.27500015	-0.26553515	-0.041359913	-0.48674393	-0.8278704	-0.28657058	-0.007800163	-0.3285777	0.33663526	0.47087526	-0.032480363	0.41134882	-0.114012904	0.67608416	0.40573367	0.09502366	0.626755	-0.7498635	-0.41770318	-0.048462074	-0.11926535	-0.22733398	0.24576253	0.32610455	0.059059612	0.4399261	0.5408543	0.17245132	-0.6682968	-0.111255586	-0.85238725	0.5331877	-0.11155858	-0.083438165	0.42291954	0.38881797	0.44669327	0.6026638	0.9999001	-0.53772676	-0.97786534	-0.2964727	0.9993202	-0.7755954	-0.058464468	-0.99839693	-0.32928392	-0.36016384	-0.10070993	-0.5874284	-0.61750025	-0.029451232	0.6486447	0.10649942	-0.5231743	-0.10477464	-0.6761539	-0.6957152	-0.19688125	-0.30579814	-0.99997115	0.99649334	-0.796525	-0.19879551	-0.4336445	0.29647538	0.7446486	-0.36221474	-0.42718327	-0.62782955	-0.39787662	0.6685015	-0.26552022	0.20939423	-0.53733987	-0.40692034	-0.22599235	0.43814668	-0.6303516	-0.07872452	-0.99988794	-0.22670045	-0.14619169	-0.27120814	0.5147547	-0.6130557	-0.76089185	0.38619864	-0.5189911	-0.24365446	0.042540204	-0.6949438	0.25433046	0.9672334	0.13650444	0.62593675	-0.25581336	-0.2808156	0.13022548	-0.29831105	-0.6756764	-0.62393904	0.38679728	-0.09612242	-0.6024925	-0.47650856	0.014966652	0.017865315	0.6694919	-0.7452895	0.3797194	0.34962285	-0.69149303	-0.08880742	-0.79467255	0.95548123	0.22952367	0.5045539	-0.2033522	0.21904765	0.2302375	0.9999485	0.31481546	-0.07361565	0.39676505	-0.30632922	-0.07816877	0.04374035	-0.98947245	-0.44735137	0.39477974	0.035338905	-0.4257748	0.000401322
604	0	CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F	0.04676686	0.027830064	0.07485176	0.08425101	0.22805111	0.45864338	0.5287618	-0.72263736	-0.22442809	-0.11962539	0.19586489	-0.11539168	0.095067374	0.18452147	0.46671042	0.29773113	-0.3137871	-0.600551	0.62119734	0.3794003	-0.27552345	-0.0452549	0.2947913	-0.4428569	-0.38435137	0.5468825	0.6182979	0.091198355	0.52451706	-0.09467991	-0.48252943	-0.39597157	0.21578309	-0.17436112	0.08393729	-0.29299843	0.224131	-0.45213267	0.99980086	0.7002652	0.98375005	0.2798697	0.4384723	-0.5678507	-0.009210194	0.8099772	0.4810651	-0.26760277	0.7272329	-0.6567631	-0.38197598	0.12813301	-0.3809281	0.38026	-0.27386305	0.58834344	-0.2002658	-0.9214019	-0.0605876	-0.34401953	-0.12892361	0.008241122	0.35041547	0.1125031	0.61273724	0.09771029	-0.5322669	-0.609669	0.017305275	0.8089592	-0.8249044	-0.9937738	0.4389597	0.90739596	-0.26989067	0.9504885	-0.20918562	0.35840318	0.6718998	-0.9986981	-0.97017294	0.67839986	-0.5054873	-0.1335722	0.03611941	-0.12885988	0.080489784	-0.17854698	0.29759273	0.2542049	-0.2922757	0.7318838	0.4635093	-0.3225932	0.9992007	-0.43961906	-0.5055468	0.1891604	0.08451374	-0.7244187	-0.32196024	0.4614039	-0.5466899	0.73579556	-0.99988	0.15629458	-0.71863794	0.67633593	-0.9999857	-0.15230505	-0.41517928	-0.77502507	-0.646582	-0.31377742	0.23246187	0.3098762	-0.001491989	0.10937718	0.8259965	-0.3255478	0.25784478	0.1438263	-0.3477316	-0.5475319	0.68980354	-0.20598888	-0.5794506	-0.29465455	-0.50894284	0.99147123	0.4455107	0.08688732	0.045482934	0.6233649	0.5079533	0.34678075	0.6158745	-0.03108604	0.020998646	-0.6210808	-0.99999	0.22057202	-0.52858996	0.48269373	0.14012013	0.21372879	0.62254936	0.63490725	-0.99952435	0.5676157	0.099347554	-0.94714355	0.78730315	0.021382691	0.4671839	-0.42153943	-0.23837292	-0.98318404	-0.87427956	-0.13604943	-0.35766482	-0.5781815	0.08531075	-0.15257137	0.24536653	0.6527507	-0.18045074	0.10681072	0.18231751	0.16356598	-0.792147	-0.42401087	0.08984549	-0.31826177	-0.46056443	-0.88553905	0.6778946	-0.11108581	0.6838214	-0.13443726	0.032374997	-0.99138844	-0.02903062	0.09262227	0.9896287	0.20729059	-0.81383896	-0.42830572	0.5917985	0.14489716	-0.29963014	0.27611035	0.08861791	-0.5022117	0.04853077	0.5276816	0.0953157	0.5947513	-0.5627564	-0.7211413	-0.62490445	0.7301909	0.58383524	-0.83186626	0.043298703	-0.10601297	0.62123775	0.32441714	-0.1769657	-0.9999406	-0.4878969	-0.052757554	0.43897286	-0.51393753	-0.57433015	-0.25994426	0.6521941	0.6004385	-0.45560712	0.06701073	-0.5728743	-0.021260468	-0.26576823	-0.11984301	0.9999995	0.003853853	0.22116747	-0.5342198	0.15160556	0.40542343	0.030227551	-0.82411104	-0.16132428	-0.2894202	-0.30643725	-0.20228057	-0.23707905	-0.38560343	-0.18985382	-0.13577539	0.55982965	0.5048111	-0.061984625	0.15785043	-0.9318265	0.35959864	-0.65290326	0.1081343	-0.13971682	-0.61633325	-0.76908404	-0.64412546	0.08574099	0.60257924	-0.15168546	-0.7490887	0.4791785	0.3162902	-0.013064135	0.82374215	-0.90816194	0.3905019	-0.42317787	-0.7007765	-0.051126335	0.015530778	0.2438136	-0.2760813	-0.86677665	0.52106446	-0.27985775	0.9999845	-0.105758816	-0.6089868	-0.33366126	0.4966074	0.48088962	-0.4691777	0.6900938	-0.8382459	-0.16578987	0.92418265	-0.5677539	0.18031713	-0.6380066	0.113441356	-0.7375998	-0.7953589	-0.99849516	0.38323936	-0.44588846	-0.43847722	-0.63108885	0.64412045	0.7503537	0.49472067	0.99999803	-0.66795754	0.7800694	-0.1935824	0.0481757	-0.4822657	0.22049908	-0.1457751	-0.830385	-0.97038627	-0.99835205	-0.2006331	-0.56859916	0.29627457	0.014572206	-0.3030062	0.69809943	-0.39869115	-0.7973605	0.36856487	-0.05429395	-0.00528602	0.99997056	0.59208846	0.39178506	0.09621538	0.18983375	0.6766148	-0.19454376	-0.15105525	-0.56524456	0.76171917	-0.77790254	-0.059279107	0.04378951	-0.8705043	0.7066333	-0.23436002	0.2260837	-0.86349845	0.13927831	0.080168456	0.43069714	-0.59872705	-0.47809935	-0.28098574	0.8463994	-0.73560506	0.038303606	0.39805728	-0.12430371	-0.18929319	-0.40942776	-0.9696269	0.35499376	-0.22143927	0.18988802	-0.49925596	-0.27650604	0.066384114	-0.09942944	0.9993761	-0.25404423	0.9406392	0.28263518	0.24931818	0.45115662	0.45479935	-0.8154487	0.4731229	0.35468355	0.9266097	0.27482942	-0.38235936	0.4453897	-0.021503266	0.68555516	-0.8399132	-0.37475523	-0.99994355	0.33089608	-0.3096557	-0.1276875	-0.15003389	-0.2726582	-0.16320655	-0.29043356	-0.0797679	0.22974429	0.17373487	-0.41026133	-0.5393354	-0.046772648	-0.8787854	0.33636457	0.47292048	-0.5382982	0.23138505	-0.86355126	0.032629974	0.23739532	0.61809415	0.7287324	0.7938038	0.98992795	0.17079192	-0.71779567	-0.22328804	0.2556915	-0.26333	-0.09836777	-0.838834	-0.2426034	-0.14321476	-0.5596058	-0.5252939	0.3672036	-0.48971877	0.2026831	-0.10920468	-0.9940771	-0.23737046	-0.9750916	0.23220083	0.9980404	0.13177408	0.35024938	-0.81871104	0.41560853	-0.15058704	-0.5258125	0.046155673	0.07409529	-0.30136484	0.17152403	-0.41398188	0.07588698	-0.006129312	0.532113	0.7238484	0.16724864	0.10865405	-0.99984586	1	0.7050012	-0.81316453	0.48590904	0.94078237	-0.20562024	-0.49762213	0.67216396	0.36752498	-0.6159358	0.04162964	0.19275197	-0.1961941	0.65837324	0.6291046	0.5391569	-0.63492876	-0.3624334	0.9618283	-0.9976551	-0.2442883	0.052910656	0.23971653	0.5375741	0.11077788	0.84374064	0.5098988	-0.7717502	-0.16391829	0.3739705	0.35086828	-0.50637454	0.1926623	-0.12599213	0.530858	-0.22332165	0.32039684	0.18691489	-0.2507882	0.47600195	0.059977464	-0.06524253	0.5499844	-0.99976283	-0.29944897	0.014207242	0.48256272	-0.44749776	0.54945135	0.020541426	-0.87190557	-0.21623285	-0.7711355	-0.54112744	0.9993766	0.11673424	-0.2792025	-0.12512879	-0.24794817	0.42829296	0.9999217	-0.5754376	0.029607674	-0.44409993	-0.24173774	-0.68227214	-0.15869032	-0.9998618	0.3354131	-0.12460965	-0.18014081	0.767726	-0.19378494
605	0	COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1	0.8036017	0.55085826	0.04693341	-0.34683052	-0.6671453	0.39585394	-0.45979637	0.0896517	0.13327752	-0.3575132	0.13715602	-0.3870166	0.71237683	0.5896274	-0.34564614	-0.5041531	-0.77881885	0.4023768	0.028688787	-0.607849	0.77806324	0.5288815	0.032910667	0.6595733	-0.6284123	-0.21557802	0.40955085	-0.27174985	-0.4703505	-0.33466458	-0.5348108	-0.5653533	-0.6932309	-0.3955439	0.26965952	-0.27821136	-0.50648	0.24958555	0.9994903	0.10136862	-0.14551337	0.45918968	-0.076681316	-0.14223805	-0.11354435	0.18248726	0.58412415	0.39927176	0.02805328	0.5651678	-0.07293556	-0.20173594	-0.34167087	-0.41793334	0.24019387	0.6730601	0.31825295	-0.80982596	-0.28045028	0.32450622	-0.032080617	0.18659182	0.09467318	0.13678111	-0.07542223	0.19807425	0.32965097	-0.4128227	0.39771846	-0.024443753	-0.99461645	-0.9994852	0.43836176	-0.33499584	-0.78705764	0.39979628	-0.053688653	-0.6638077	0.53614914	-0.9997411	-0.370326	0.16272913	-0.86046535	0.40650773	0.41082802	0.10534719	0.83549744	0.41692752	-0.54796886	0.3510411	-0.041263796	-0.39582053	0.29867074	0.15324615	0.99999267	-0.21204871	-0.8271942	0.090658635	-0.06093375	0.011206181	0.6320331	-0.6705878	0.60493165	0.9386897	-0.9981205	-0.99604255	0.6293914	-0.36350775	-0.9998405	-0.06716874	-0.16644126	-0.060727134	-0.66034836	0.75071615	-0.09395009	-0.30029777	-0.13629532	0.6046244	0.9691153	-0.09552309	-0.79776335	-0.6935236	0.44119835	0.5805492	-0.14792025	-0.6120225	-0.17965199	-0.42652658	-0.18501367	0.9329816	-0.20946467	-0.078101024	0.21833837	0.048340086	0.4552861	-0.98932946	-0.73914695	-0.6037805	-0.54560393	0.7310543	-0.99999225	-0.24897356	-0.78497183	-0.4672342	-0.057100985	0.103461914	0.031026237	-0.48374313	-0.98650885	0.25764933	0.13930732	0.94365335	-0.5332796	-0.5405534	-0.6664081	0.26232383	0.09667605	-0.71878684	-0.6871893	0.8230264	-0.4435364	0.3127516	-0.52367467	0.5269465	-0.20156632	-0.00208892	-0.30805165	0.14049551	-0.3089764	-0.18331039	0.22331604	-0.4058906	0.26417887	-0.5954021	-0.1409345	0.1748019	-0.035104595	-0.19295993	-0.80351144	0.14543527	0.47003466	-0.99963075	-0.12439109	-0.5220665	0.73868644	-0.30360898	-0.1615466	-0.09213713	-0.19122192	0.222885	0.63764197	-0.04680792	-0.35368645	-0.800668	0.22887607	-0.6519023	-0.19122033	-0.810505	-0.20208104	0.09573398	0.6911559	-0.011682916	0.43880618	-0.42713165	0.12890469	-0.33835483	0.90565634	0.4156388	0.33546978	-0.9999276	0.096495025	-0.46485892	0.42373082	-0.013875554	-0.08806053	-0.8160453	-0.40075636	-0.3438623	0.16630179	0.17284551	-0.5962099	0.28694832	0.6733261	0.08395178	-0.9520877	0.26768258	0.08239521	0.4281803	0.30753955	0.16550052	-0.4845945	0.4327873	0.04673718	0.08518769	0.11440161	0.54225504	-0.10902815	0.32288355	-0.73662317	0.72896045	0.8726492	-0.22224256	-0.17784952	-0.29140922	0.048874468	-0.39664948	0.33304423	0.35443848	0.36325148	-0.19231707	0.6483689	-0.98025423	-0.43676952	0.29675022	0.12926012	-0.23074712	0.37243864	-0.1680742	0.12500122	0.40676126	-0.22834185	0.53965145	0.49325842	0.10916941	0.15896082	0.2938413	-0.5690957	0.45181668	0.8962214	-0.058067977	0.6677743	0.99783945	-0.33220628	-0.33963937	-0.25288692	-0.81173587	-0.31550014	0.9407174	0.6082249	0.7950357	0.21570742	0.9834145	-0.73189145	-0.52221805	-0.03833997	-0.20603234	-0.17180212	-0.92065144	-0.9996883	-0.2052513	0.84944063	0.7199844	0.33506998	0.5039534	0.88640565	-0.30997142	0.9999626	-0.002704174	0.53405553	0.12694013	-0.7809172	0.24828275	-0.57435477	-0.29325408	0.82951486	0.9533707	-0.9893562	0.5944447	0.8455922	-0.15562817	0.6112826	0.10694301	-0.07998688	-0.24853496	-0.95159155	-0.10557388	0.23455732	-0.5259727	0.99031657	0.53383887	0.6496363	0.6849795	-0.3718697	-0.62785053	0.76587844	-0.1976165	-0.017733468	0.20808713	0.014892137	-0.002541872	-0.36809754	0.090849295	-0.40404347	-0.2731433	0.28286016	-0.95372695	0.59746516	0.3132406	-0.29162142	-0.21207511	0.37452546	-0.25613984	0.12279239	0.6791408	0.220911	-0.71326435	0.7822997	-0.10634101	0.8188325	-0.950903	-0.60002875	0.37745464	0.4629755	0.53184205	0.014153878	-0.44072455	-0.29222596	0.99960333	0.5571545	0.52684313	0.07622873	0.0556895	-0.13205388	0.5111473	0.41293916	-0.61286557	0.5938508	-0.1917357	0.351995	-0.3533424	0.13825111	-0.1660276	0.5147059	-0.83332604	-0.23909271	0.9923629	-0.38736752	-0.10039803	-0.49321198	0.20801987	0.46663648	0.24413946	-0.4716412	0.5526928	-0.126807	0.3945439	-0.38337785	0.2528412	-0.48785698	0.6528256	0.13940074	0.004094644	0.001587118	0.7343853	0.6918493	-0.78561145	0.5588025	0.68610483	-0.60697	0.84630865	0.99777657	0.7101635	0.4892881	-0.5221705	0.6273031	0.096287616	0.7400458	0.6758374	0.31385452	-0.73475224	-0.6058777	-0.4770612	0.71649086	-0.49465916	0.44252312	-0.8345416	0.86279523	0.12795155	-0.83483666	-0.51019835	0.99897254	0.27496055	-0.26729754	-0.9687334	-0.6925735	-0.7671333	-0.051407214	0.45563713	-0.3230993	-0.2544516	0.5587113	0.8369972	-0.6380856	0.33239937	-0.22531939	-0.38614705	-0.1000298	0.5273082	-0.9999285	0.99708295	0.040369947	0.58163035	-0.6927786	-0.5906809	0.3492698	0.36741513	-0.76797456	-0.6256979	0.20011193	0.6972505	-0.30310667	-0.20488416	-0.13172647	0.44482887	0.32172367	0.64786756	-0.4095232	0.6229515	-0.9992368	0.0993965	0.61080265	0.3203175	-0.5239976	-0.008310629	0.951129	0.7564441	0.74908084	0.26918748	0.5010835	-0.191111	-0.25723135	0.98153734	-0.004898054	0.56081086	0.514994	-0.5580834	-0.2516233	0.5438431	-0.62120855	-0.5277493	-0.7263359	0.8709768	-0.38602066	0.006905424	0.33810803	0.4119816	-0.44583625	0.47085825	-0.686128	0.7246446	-0.07143276	-0.61772364	-0.7151092	0.99841815	-0.14335398	-0.15506974	-0.46685794	-0.36669305	-0.38103366	0.9999931	0.016227704	-0.09766843	0.31329623	-0.09464086	0.4699195	0.19768284	-0.99879223	0.5018292	-0.89332676	-0.798764	-0.27660787	-0.5296816
606	0	COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1	0.9625275	0.25269228	-0.51604044	0.35393062	-0.07006491	-0.03276781	-0.61984056	0.07135589	-0.041138954	0.34868026	0.72466457	-0.58773845	0.09319389	0.33302683	0.031806137	-0.52372783	0.000199281	0.78757685	-0.22392543	-0.15902925	0.5356863	0.3095406	0.6568883	0.18781894	-0.1570305	0.09591977	0.28111923	-0.3956749	-0.7909133	0.022103013	-0.6949876	-0.5314942	-0.14917886	-0.22338626	0.64075875	-0.07052393	0.64340574	-0.14845252	0.9996392	0.5479055	-0.4840183	-0.37718478	-0.23300374	0.53788704	-0.22817379	0.5881583	0.60035574	0.62097585	0.37048087	0.67748296	-0.22251996	-0.08344761	-0.87412846	-0.17992261	0.5241598	0.5973724	-0.682235	-0.9321094	-0.3196338	0.07853003	0.12333706	0.28282693	-0.49122727	-0.3461935	-0.006203391	0.69582397	-0.5971117	-0.7232996	0.24709219	0.5184436	-0.9771403	-0.99977434	-0.16200173	-0.19264704	-0.8898377	0.7332844	-0.49351802	-0.6467296	0.54935336	-0.99995786	0.3853544	0.13130414	-0.8522089	0.22370704	-0.5750479	0.5777763	0.799076	-0.42480892	-0.16525772	-0.12930898	0.36616895	0.10257968	0.42106703	-0.76460564	0.9999949	-0.016131021	-0.9283484	-0.22902031	-0.11538691	-0.14585511	-0.038755003	-0.75669086	0.17709012	0.8201285	-0.99850124	-0.99683726	0.58436865	-0.21461254	-0.9033569	0.5165206	-0.7209107	0.3931267	-0.72811174	-0.011340323	0.2298537	-0.05595006	0.7385554	-0.103444815	0.957133	-0.27343243	-0.6620609	-0.5083818	-0.04872355	0.7422586	-0.0627809	-0.74638224	-0.20165157	0.1862501	0.37189534	0.6565583	0.051653113	0.1391304	-0.5740194	0.36882907	-0.063529946	-0.96026653	-0.6862928	-0.59436595	-0.7020958	-0.64875543	-0.9999714	-0.51590484	-0.93832666	0.15794635	-0.6025201	-0.45786196	0.4265678	-0.14069849	-0.99080634	0.15008204	-0.26220042	0.52154714	-0.58346677	-0.4101285	-0.8812957	0.7815603	0.5232685	-0.8477102	-0.8248236	0.31938192	-0.18291275	0.6219341	-0.14169203	0.06450209	-0.13570973	-0.30786288	-0.5976802	-0.28281	-0.80501676	-0.21586761	0.34221336	0.3194337	0.25272018	-0.051396653	0.037899196	0.36787024	-0.37477648	-0.4408996	-0.5556599	0.23815379	-0.012153206	-0.99993193	-0.26003516	-0.12849033	0.874358	0.27541766	0.18356527	-0.07850224	0.7321318	-0.7307259	0.5978229	0.047970224	0.4807049	-0.13726476	0.044191882	0.4898547	-0.25480193	-0.89415854	-0.73858386	-0.4899756	0.08368662	-0.5389268	0.40654776	-0.232781	0.08130717	0.25297213	0.754466	0.20124713	0.55263513	-0.99992394	0.37362126	0.43671292	-0.3608474	0.23535706	0.44601202	-0.28020886	0.24104632	0.043601573	0.40308684	0.41170722	0.1122179	-0.20253421	0.48615733	-0.3881714	-0.98343384	-0.49834839	0.04278942	-0.24799094	-0.12923278	0.099088795	-0.26433825	0.71941054	-0.7061184	-0.822023	-0.5075881	-0.38155824	0.052357182	-0.12425195	0.15243766	0.5824061	0.6954721	0.099697486	-0.14144085	-0.18804951	-0.14061691	0.557093	0.20084931	0.69455916	0.18623166	0.03769638	0.6171926	-0.9838325	-0.29097778	0.6982994	0.3596863	-0.561375	-0.83775306	-0.071793504	0.5051253	-0.004646714	-0.37346306	-0.112394	0.6447356	0.22670305	-0.032026716	0.8905952	-0.60320085	0.7212401	0.8889857	0.22531419	0.8073012	0.9923192	-0.63027716	-0.24445249	0.4201173	-0.95357907	0.6550287	0.6155161	-0.215117	0.4183868	0.20470402	0.9686049	-0.9700833	-0.6753144	-0.018673537	-0.32360366	-0.30411342	-0.56918097	-0.9583711	-0.62090236	0.020176534	0.5222093	-0.11102652	0.5987247	0.71704036	-0.35114786	0.99997836	0.53260577	0.32946572	-0.22866859	-0.44755304	0.59590644	-0.78202814	0.3544368	0.79637116	0.888683	-0.9962551	-0.38535008	0.67188376	0.086089596	0.002625809	-0.6775976	0.59531194	0.55471325	-0.98449135	-0.20682754	0.01745564	0.031334322	-0.91836137	0.5433913	-0.0993751	0.7223033	-0.4771306	-0.38637075	0.643404	0.6781	-0.16556373	0.17074943	-0.44100136	0.3370456	0.6789908	0.22004284	-0.007417189	-0.21456587	-0.6704524	-0.9774244	-0.45144537	-0.35537434	-0.34566426	0.000527866	0.7271889	0.20900267	0.25016993	0.6751598	0.17339002	-0.68222404	0.21925052	-0.2172616	-0.22142859	-0.96915877	-0.17932937	0.21384344	0.009471277	-0.53666526	-0.19643682	-0.7925973	-0.3634604	0.9992317	0.42507276	0.39981392	0.17091376	0.6404607	-0.75733125	-0.6224447	0.7591181	-0.31659177	-0.24759166	0.332647	0.5925693	-0.68269664	0.47926784	-0.3798019	0.33020696	-0.8504431	-0.4290395	0.99562913	0.3794655	0.12566958	0.34620133	-0.27127755	0.42360905	0.2362224	-0.6955664	-0.49339622	0.17580636	0.20333798	-0.27050203	-0.4269473	-0.09487783	0.53632265	0.47821993	-0.003009507	0.40341473	0.13612635	0.57769924	-0.84549963	0.31587628	0.6509989	-0.22195111	0.77179915	0.9994144	0.22815551	-0.20484032	-0.42158872	0.6577691	0.3993343	0.68560535	0.78869283	0.049965467	-0.7923893	-0.29813018	-0.52769136	0.014725546	0.31879443	-0.24875146	-0.22704405	0.99984074	-0.20079689	-0.94106054	-0.71891624	0.99777585	0.19822004	0.015654454	-0.9984982	-0.4058056	-0.8404665	0.3540548	-0.25169015	-0.3175227	0.32966837	0.29991758	0.9410535	0.15162306	0.8000012	-0.3881454	-0.15109104	-0.17309588	0.4745974	-0.9998782	0.9939062	0.29144436	0.46594453	-0.63027966	-0.34426728	0.12141266	0.8111448	-0.9089188	-0.68015754	-0.21696292	0.026580518	0.13884053	-0.16907042	0.15404555	0.55194706	0.003424758	0.7318617	-0.5120047	0.82077295	-0.99899256	-0.2742727	0.76896584	0.22378872	-0.29013675	-0.008039569	0.98942554	0.7760367	0.8622124	0.6162125	0.6234925	-0.07474419	-0.4090373	0.9668813	-0.37176728	0.5546863	0.07816556	-0.6891377	-0.0953705	0.7062711	-0.27653545	-0.2787749	-0.24009934	0.97423226	-0.66349506	-0.4392321	-0.45151043	0.08264869	0.096110955	0.1640008	-0.8402733	0.77416253	0.017420307	-0.52731556	0.73946375	0.9989994	-0.13508864	-0.14925717	-0.008970052	-0.457522	-0.7536309	0.9999557	0.03622956	0.57235587	0.56174046	0.68724376	0.23622961	0.36524785	-0.9986769	-0.02659518	-0.8425423	-0.7685044	-0.24601467	-0.009725337
607	0	CCCCOP(=O)(OCCCC)OCCCC	0.94835097	-0.17416036	-0.42454907	-0.095592864	0.38720655	0.5603773	-0.9770716	0.14426331	-0.17002511	0.81388575	-0.76453954	0.44775975	-0.5380853	0.055888526	0.045264922	-0.6712727	0.49951097	-0.21512583	0.023936886	-0.51302093	0.7467978	0.07259347	-0.2819768	0.5335694	-0.1518078	0.117717996	-0.19013554	-0.49147522	0.64416575	-0.43009916	0.14288898	-0.25644284	-0.33742368	-0.042771254	0.81264126	-0.6188706	0.08716271	-0.1581598	0.96420443	-0.6199212	-0.89784455	-0.41298983	0.1575496	0.5398111	-0.2997427	-0.94124067	-0.5593338	0.1260032	0.99903977	0.18900469	0.67685103	-0.10553519	-0.1586829	0.4492231	-0.70626503	0.14476752	0.93331265	0.80608356	0.594628	0.47316703	-0.081297256	0.699763	-0.020137893	-0.010830578	-0.19157541	0.6612194	-0.48004627	-0.39976114	0.13600872	-0.6061295	0.7622213	-0.61824304	0.015886696	0.87899125	0.61971396	-0.5799616	0.40551046	-0.28020558	-0.14363216	-0.9996376	0.6799222	0.330173	-0.4735226	0.031392634	0.59979755	-0.7103921	0.34465185	0.71767414	0.7389278	-0.09518603	0.5297782	-0.21615466	0.4254702	-0.11372609	0.9956837	-0.24694549	0.34217507	-0.040789906	0.32592455	-0.002396217	-0.18878846	-0.45078665	0.23828755	-0.28473437	-0.4157832	-0.8969143	0.44086894	-0.27300483	0.997346	0.2248553	-0.19677092	-0.6865643	-0.2501711	0.112765394	0.20029384	0.45094007	-0.5201262	0.69083625	0.99710417	-0.029892262	0.13048625	0.38533017	0.5384072	-0.47643957	-0.26227182	0.55902517	0.60568666	-0.8849698	-0.1225496	0.99983567	0.40306932	-0.29284135	0.14197513	-0.29124463	0.19949497	-0.97373754	-0.15883759	-0.5951562	-0.1258863	-0.20140739	0.9995201	0.17455359	0.93534505	-0.7048919	0.003850672	0.45392552	0.019706482	-0.04082408	0.47714394	0.45942196	-0.17137267	-0.88798976	0.6354358	-0.22940242	0.11717617	0.14852412	-0.6113751	0.9805769	-0.89138067	-0.973389	-0.9367155	-0.8378819	-0.26312467	0.27603194	-0.07917221	-0.14899501	-0.46874985	-0.046570145	0.35015923	-0.5477233	0.19354014	0.12832981	0.5028678	-0.26929936	-0.008697771	-0.8922712	-0.50757265	0.7809313	-0.7743283	-0.55416715	0.8120269	-0.9407315	0.7117788	0.04145443	-0.67588824	-0.49216822	0.62439555	0.00364625	-0.21378647	0.4350977	-0.27207434	-0.3264042	-0.36128196	0.05110465	0.303202	-0.09155185	0.416255	-0.8280067	0.17676367	0.4966793	-0.4723965	-0.7052999	0.1735511	0.44154036	-0.6033634	-0.42874953	0.102926806	-0.55225897	0.26878273	-0.999389	-0.14501299	0.17741796	0.4685268	-0.34356433	-0.07696782	-0.26453003	-0.79903924	0.18076044	-0.17148505	-0.029813446	0.36838967	0.23052627	-0.11407297	0.086848475	-0.99214077	-0.19664805	0.64640826	-0.3166226	-0.10348696	0.025425702	-0.66219026	-0.29840085	0.41822538	-0.23645277	0.36804235	0.33834502	-0.026036026	-0.058728043	0.72892433	0.46514726	0.83403724	-0.25859696	0.09962906	-0.63637495	-0.741067	-0.45297715	-0.19781366	-0.5924853	-0.4832015	0.2972989	0.6493469	-0.99980104	-0.021907222	0.66573435	-0.061929874	-0.48009244	0.25892535	0.28178787	-0.37655932	-0.17713453	-0.31374845	0.6129243	0.55069816	-0.018520094	-0.4363552	0.012336555	-0.47120726	0.12226405	0.83921474	-0.5085915	0.58175087	0.9476945	-0.56654865	0.032440882	0.06807348	-0.9438494	0.33836997	0.39553103	-0.15322606	0.832768	-0.57976395	0.99753845	-0.5963562	-0.23946795	-0.78398293	0.1925195	0.6326701	0.8476101	0.849535	-0.6179524	0.5332777	0.9964023	0.1271119	0.928297	0.31204703	-0.13223498	-0.9984604	-0.99155295	0.14080825	0.16422564	-0.7537704	0.4440043	-0.3257696	0.0727249	-0.18200655	-0.57398933	0.84857726	-0.11481196	0.4070232	0.49045196	0.62097263	0.6126853	-0.16395102	0.24550866	-0.044587195	0.1382253	0.22497693	-0.7487473	-0.9999856	-0.5479405	-0.39947605	0.55256134	-0.09856372	-0.9585485	0.72609186	-0.52789026	-0.28332353	-0.8420201	0.22147425	0.25584677	0.4810647	0.08616349	0.016120385	-0.2652255	0.09287708	0.82859474	0.5794913	0.1594736	0.8638619	-0.04679702	-0.3037567	0.13570507	-0.37341467	0.7999849	0.76198834	-0.5666122	0.03914553	0.6661728	0.33757505	0.5247476	-0.9830039	0.14487444	0.5867298	-0.15864052	0.057795223	0.29084182	0.18485387	0.99986774	0.08750352	0.43024144	-0.23361678	-0.56897247	0.22106113	-0.21467327	-0.43678865	0.10667398	-0.8599478	-0.02777747	0.18219599	0.6254911	-0.042917013	0.07839953	-0.119667485	0.47104582	-0.15435536	1	-0.3200277	0.18122774	-0.31287476	0.6731095	-0.19215608	0.20661847	-0.48907003	-0.018027991	0.7018454	0.011381998	0.004669428	-0.00022031	-0.57024544	0.27694008	-0.20232385	0.2648539	0.03798031	-0.6109825	0.4779772	-0.959944	0.54147464	-0.54306316	0.26662374	0.037352774	-0.24699998	0.08896184	0.33860767	0.3320708	-0.11520785	-0.4723059	0.6980836	0.4378508	-0.01035218	0.11412504	-0.7327409	0.60865784	-0.06634641	0.29890922	0.060465034	-0.4610309	1	-0.3471848	-0.77868587	-0.531097	0.9977947	-0.109996155	0.000312632	-0.9999709	-0.57875913	-0.933884	-0.049312428	-0.3342135	0.35914034	0.53781873	0.35571972	-0.608705	0.067307964	0.7091468	-0.23593083	0.19616143	-0.3175514	0.13305561	-0.99972486	-0.9999999	-0.9845393	0.49660683	0.10285858	-0.62861896	-0.18022598	0.5201107	0.3839643	-0.59009206	0.42230594	0.5941338	-0.54613435	-0.029971449	0.048937254	-0.25842693	0.6607589	0.39907652	-0.08672683	-0.8833823	-0.9992679	0.47840974	-0.45649797	0.5712729	0.10677826	-0.5185133	-0.9098195	0.8003786	0.49334833	0.17102778	0.17942107	-0.8067433	-0.009002117	-0.7798355	0.64901614	-0.94198596	-0.048504997	0.44079477	-0.19333264	-0.28826526	-0.227104	0.02674385	-0.65287083	0.48055366	-0.99866605	0.22557276	-0.7018845	0.1586685	-0.20833354	-0.78585786	-0.092588946	-0.055595722	-0.5517552	0.64209497	-0.15884955	0.5819383	-0.6113362	-0.1209245	0.1575098	0.26473993	-0.24070297	0.9997861	0.44451368	-0.9096545	0.31386653	0.3270674	-0.10220071	-0.6454089	-0.9490637	-0.2060926	0.10382501	0.011804666	-0.08852713	0.08946993
608	1	O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1	-0.8850663	-0.41779822	-0.39125225	0.66996527	0.26327515	-0.8329478	-0.62948745	0.39434955	0.10179814	-0.33667788	-0.8065851	-0.03994388	-0.023682674	-0.42521167	0.38350177	-0.64180684	-0.17029725	-0.08157228	0.14921026	-0.12003973	0.55527705	-0.7424046	0.3797483	0.1220612	0.2460792	0.5911116	0.30348545	0.073564574	0.53493834	-0.18070948	-0.096694805	0.4352018	-0.016858036	-0.15967399	0.43850717	-0.35169035	0.153879	0.70468724	0.9824837	-0.9300581	-0.99111706	-0.001022218	-0.48690346	0.25231263	0.6878032	-0.9456488	0.28499725	-0.5716565	0.27465916	-0.25128666	0.43421856	0.26425955	0.14289363	-0.55438566	-0.64330435	0.5554234	-0.7437585	0.54202944	0.36012885	0.734176	0.21968338	-0.6009894	0.35863915	0.1947925	-0.17765924	0.6470997	-0.20172761	0.598274	0.45659822	0.1285882	-0.91959035	-0.200872	0.36745808	-0.52082634	0.8949382	-0.5850141	-0.34867117	-0.30673078	0.24627942	-0.99252087	-0.6911191	0.027399968	-0.743617	0.5026801	0.45966768	-0.9672663	0.079196475	0.47896665	-0.80456024	-0.7436874	-0.46854213	0.37801272	0.2659414	0.5939053	0.9570083	-0.50225586	0.59403396	0.27709398	0.25799987	-0.4565389	0.30949557	-0.16033356	0.5966034	0.98238516	-0.8388004	0.18938471	0.0699378	0.29791182	-0.99934137	-0.34919518	-0.50577325	-0.43290523	-0.20522335	-0.07300779	-0.021465091	0.2918155	0.23361886	0.6615252	0.99698305	-0.29052055	0.15419064	0.0950922	-0.5482578	0.21533842	-0.6330901	-0.40356213	0.33764425	-0.06754476	-0.4655853	0.9999833	0.34067276	0.31608772	0.3947151	0.082183905	0.053188127	-0.97769934	0.39554653	0.8404096	-0.65393174	0.62368244	-0.9999552	0.020743852	0.9726678	-0.48624662	0.12580076	0.12756394	0.21224609	0.058572065	0.41320476	-0.6885753	-0.5647404	0.97036046	0.64004743	0.5305111	-0.2861176	0.2077943	-0.5910962	0.93764263	-0.49573293	0.9768585	-0.928311	-0.36753187	-0.15020631	0.13581398	0.2391605	0.002234703	-0.090461664	-0.5763764	-0.46168178	-0.044794917	0.15563516	-0.08715135	0.4310829	0.22738181	-0.003082355	-0.9686018	-0.8159639	0.18149062	0.22607505	0.043466993	0.32349053	0.41726136	-0.14969002	0.508323	-0.9034176	-0.42736492	0.56087816	0.32272655	-0.11068571	-0.20705044	-0.34004742	0.10133256	-0.13894631	0.17326306	0.010901731	-0.21998942	0.44473526	-0.71190625	0.5918373	0.54997706	-0.13775794	-0.32110965	-0.74694866	0.2259305	0.05979002	-0.5304014	0.19560425	0.2160468	0.31517348	-0.99900746	-0.20089877	0.5166732	0.1323241	-0.3501719	0.09343022	-0.2199175	-0.45494217	-0.34687272	-0.36155245	0.13677809	0.3191462	-0.47766253	-0.8053589	0.016740294	-0.90004504	0.28557405	-0.30878282	0.2221032	0.31603283	0.38617575	-0.33265525	-0.37435445	0.020387113	-0.63935083	0.3848198	-0.27065158	-0.20409334	0.1671533	-0.5210895	-0.13780461	0.831931	0.44659466	-0.005811221	-0.6596918	0.74928546	-0.062979914	0.56444323	-0.4741168	0.08885929	-0.1793604	0.8409859	-0.9768857	-0.001874445	0.67727536	-0.025480906	0.30064386	0.26739216	0.5039598	0.15708946	-0.3421757	-0.49531335	0.64118326	-0.058480714	-0.50280464	0.8673957	-0.12949155	0.08168134	0.11378898	-0.82738996	0.16975152	-0.3389316	-0.16390808	0.29382727	0.42470273	0.46865514	0.8769154	0.45358568	0.2249745	0.3796695	0.024730843	0.6151835	0.9994782	-0.00754897	0.52510077	0.56398374	-0.20443654	-0.28371763	-0.31683022	-0.971543	0.4017953	0.3646647	0.9930904	-0.10666469	-0.6124559	0.25992474	0.5774072	0.99998355	-0.9972575	0.44383106	0.27528986	-0.4843598	-0.42913258	-0.43728042	-0.3180822	-0.114808746	-0.5583638	0.24981678	0.8130681	0.8782254	0.17668217	0.15464416	-0.25916377	-0.32541826	0.24015337	0.9108691	-0.7333838	-0.1633262	0.09814812	0.9657612	0.04184472	-0.44214737	0.38005874	0.5423134	-0.8481504	-0.8284824	-0.35002106	0.6230902	-0.9929371	0.5117695	0.22246096	-0.5973976	-0.2348013	-0.5398719	-0.6067004	-0.0191387	0.90750164	-0.1860048	0.4631262	-0.44521117	0.6331065	-0.003564501	-0.3976975	-0.36532772	0.37334883	-0.1350441	0.2693658	-0.7199559	-0.116584785	-0.5754158	-0.42370123	-0.9936961	-0.120399594	-0.35694048	-0.4560351	-0.46186903	0.1242604	0.023742871	0.99969804	-0.5047416	-0.77320635	-0.62597233	0.021988455	0.63948727	0.10151518	-0.9510984	-0.7206274	0.16557087	-0.65420866	-0.20795886	0.48750302	-0.7248908	0.4108588	0.015202865	0.7462324	0.2779792	0.99554795	0.20606205	-0.46920323	0.001865478	-0.4233642	-0.56398076	-0.037923988	0.011719483	-0.58467185	-0.004976414	0.053597547	-0.10387699	0.51589984	0.07199798	0.6783145	-0.4577576	0.5791313	-0.4165352	0.4651148	0.39259943	-0.037185717	0.17815486	-0.24849738	-0.5928274	-0.6393822	-0.5793931	-0.21318503	0.1558018	0.58684707	-0.677774	-0.39408126	-0.0883214	-0.6141662	0.45353588	-0.19247891	0.82025313	0.5957604	0.32985207	0.08141957	-0.08739043	0.34973076	0.92131877	0.59631586	-0.98255503	0.48965058	0.99958116	-0.46006894	-0.46612084	-0.965734	-0.53336614	-0.3673333	0.20343792	-0.25787526	-0.5402849	0.31231755	-0.10791087	-0.8071996	0.45326772	0.5237803	-0.46285078	0.4648022	0.24109133	0.33248413	-0.99999243	0.99121267	-0.7751134	-0.010677002	0.30343145	-0.042720225	-0.57215166	-0.6892651	-0.85537964	0.14538798	0.13953032	-0.063936785	-0.86531496	0.059198134	0.24268268	0.566558	0.5590776	-0.59637225	0.03286433	-0.40773675	-0.999953	-0.35565737	-0.21001981	0.21863258	-0.050470974	-0.33597773	-0.99587166	0.16477096	0.4263866	0.37439904	-0.000291929	-0.701409	-0.087606594	0.9533378	-0.06592561	0.78486997	0.18436074	0.45539498	0.112187706	-0.90431195	-0.49033707	-0.54292333	-0.75287205	-0.8459313	0.44338104	-0.035818834	-0.111015886	-0.06852919	-0.3361893	-0.6718994	0.3825299	0.73130006	-0.5439642	-0.09213861	0.50981534	0.9158299	-0.81164587	-0.26135966	-0.48698643	-0.5099938	0.27220583	0.9999699	0.6052114	0.38008952	0.46279553	0.34834146	0.19507156	-0.029806687	-0.8962187	0.61024934	0.05696099	0.34440696	0.029948117	0.2258427
609	0	O=C(O)COc1nc(Cl)c(Cl)cc1Cl	-0.6466087	-0.15250628	-0.7438653	0.43895432	-0.20613842	-0.35578236	0.27124792	0.14961429	-0.07479958	-0.007706922	0.22452688	-0.4978665	0.19335714	-0.21259241	0.27150148	-0.665224	0.481773	0.55787843	0.578971	-0.030694596	0.5029368	-0.66511726	0.41893128	-0.1448978	0.17787543	-0.11166585	0.08432506	-0.32163775	0.35008562	-0.20830342	-0.2079059	0.72983617	-0.06428697	-0.048880678	0.52567196	-0.2293441	-0.27714908	-0.16603768	0.7933518	-0.9033632	-0.9909106	0.26721373	0.4196495	0.3728274	0.30334446	-0.9880962	0.095227174	0.01570724	0.8641604	0.12692086	0.16617884	0.5555616	-0.24818353	-0.49726662	-0.79509974	-0.30020463	-0.56898254	0.8705026	-0.124825455	0.26537633	0.7924786	0.021505067	0.5256166	0.0882086	-0.62935454	0.69334245	0.29568037	-0.02581773	0.39722925	-0.5986748	-0.8487717	-0.98101485	-0.013432412	-0.33054098	0.13724315	-0.0323043	-0.27354565	-0.51174533	0.3105631	-0.9990747	-0.32107946	-0.25069064	-0.7449152	-0.55107296	0.56746745	0.17930235	0.68908596	0.020000743	-0.28703108	0.2440689	-0.000171758	0.65157413	0.06962919	0.2602094	0.9978641	-0.3511547	-0.038747665	0.2209396	-0.15214472	-0.5608149	0.51216424	-0.40293297	0.40706027	0.006455761	0.56308395	-0.92142445	0.10998543	0.17950007	-0.9335146	0.5153828	-0.081749074	-0.56754464	-0.11130799	-0.55656534	0.07600955	0.1308672	0.6985671	0.57125777	0.9993365	-0.36298046	0.050635852	0.11295628	0.1020637	0.002738193	-0.42056164	-0.2440612	0.08990387	0.17169483	0.049061455	0.9974978	0.3709724	-0.30061063	0.5488743	-0.2880643	-0.056805987	-0.83086	-0.52944267	-0.5025772	-0.5098387	-0.21502738	-0.9988827	0.11153791	0.9411956	0.6641034	0.1713151	-0.105862066	-0.18059455	-0.6126738	0.9777384	-0.30297425	0.042398565	-0.36427557	-0.6026348	0.5356288	-0.6576448	0.3817518	0.25290057	0.9973652	-0.5280837	-0.7630767	-0.98596054	0.4290613	0.35924956	0.17195618	0.63755983	0.5078681	-0.39070576	0.1114539	-0.84836227	0.28829512	-0.582325	-0.08584287	-0.46912068	0.08364986	0.60242903	-0.8106466	-0.6564658	0.47161943	-0.447401	0.6354527	0.55620617	-0.9049296	-0.1155992	-0.019434717	-0.7626357	-0.3649296	0.30334148	0.23212615	0.18934157	0.00079325	0.63189805	-0.2985514	-0.0790806	-0.17986831	0.00258735	0.3074728	0.25042143	-0.4690865	-0.3141204	0.38858142	-0.71231747	0.33823547	-0.43717355	-0.45880672	0.59229034	-0.5636434	0.7939457	-0.054709125	-0.122951865	-0.9882539	0.57809836	0.45290473	-0.10340858	-0.24609357	-0.37663376	0.07196252	0.20562667	-0.2336318	0.48726287	-0.5882854	-0.5827137	-0.5103259	0.01863169	0.37780067	0.9882984	-0.4024556	-0.20391843	0.38511443	0.26621276	0.07189453	-0.3355838	0.104995556	0.15306811	-0.42723116	0.40055063	-0.4549045	0.3385082	0.5149339	0.024867592	0.20405777	0.8932469	0.079014696	0.20290618	-0.55680615	0.49442872	-0.07645673	0.5495264	-0.20656897	0.17391644	-0.2458457	0.45880112	-0.99880725	-0.49553785	0.4428829	-0.28715977	-0.52438474	0.38648322	0.4293692	-0.67866534	0.43004644	0.27638823	-0.18439874	0.15234509	-0.77349865	0.60156876	-0.23301862	-0.5456949	0.47520807	0.7602486	-0.042243086	0.77575994	0.5031026	-0.048186935	0.17069696	-0.33714932	0.8741559	-0.74831235	-0.39488637	0.047639888	0.20554836	0.073735155	0.9994612	0.21662098	0.5514872	0.14937346	-0.47743705	-0.11825309	-0.55564255	0.41129628	0.27751198	-0.39435208	0.99931955	-0.64851123	0.7120501	0.129068	0.239778	0.9980058	-0.860092	0.16949564	0.3783428	0.4786284	-0.35985398	0.004832006	-0.039464314	0.48253864	0.60628915	0.97631955	0.25802886	-0.07880734	-0.416303	0.35442868	-0.30059373	0.253465	0.5285238	0.12746383	-0.33992934	0.08423841	-0.24615668	-0.9526759	0.0684305	-0.5252529	0.58679616	0.5396078	-0.6953002	-0.46514904	0.16615324	0.43896192	-0.9297486	0.79831785	-0.471149	0.059034735	-0.07524807	-0.26986834	-0.0632012	0.49118176	-0.51859164	-0.11949836	-0.028173452	-0.10737421	0.5048215	0.23841687	-0.5953498	-0.33863413	0.025521925	0.3934891	-0.30327854	0.015715998	0.41837975	-0.21537533	0.7412836	-0.9940335	-0.014192903	0.5057923	-0.61433583	0.11871348	-0.10799923	-0.22204047	0.9986861	0.38278124	0.13699353	-0.08233922	0.6461799	0.54581815	-0.12220942	-0.34956682	-0.4702326	0.5442396	0.15875453	0.21674624	-0.15549624	-0.46098846	0.6301375	0.035454214	0.39581165	0.4919967	1	0.60553914	-0.75701725	-0.09607581	-0.6715165	-0.7812782	-0.36186936	0.17664935	-0.33469483	0.20245583	-0.41802186	-0.043857045	0.10593419	-0.56379086	0.592358	-0.07401296	0.3081701	-0.66757	0.46736997	0.57035774	-0.55730337	0.28916574	0.3822795	0.25724623	0.010042856	-0.14325507	0.15448378	-0.29346287	0.5172363	-0.27850482	0.06752914	-0.47522703	0.22520259	-0.48982835	0.63931906	0.22376621	0.2922018	0.71164083	-0.061926655	0.009174125	0.3269902	0.999913	0.070627555	-0.992007	0.45700854	0.9996802	-0.72926813	-0.41312551	-0.998487	-0.21925372	0.02216174	0.06260667	-0.27193928	0.12040818	0.012887569	0.5656176	0.25127044	-0.1196258	0.3318454	-0.16876656	0.30246118	0.31137124	0.24400792	-0.9999829	-0.9992077	-0.9903835	0.09548085	-0.09446948	-0.57078725	0.09362364	-0.08831113	-0.6710508	-0.51759154	-0.30904114	0.62774295	-0.469058	0.32697776	0.38379216	0.556708	0.19907	-0.16983339	-0.13107774	-0.95508	-0.99991107	-0.03177152	-0.022749864	0.4317457	0.22560948	0.7662008	-0.88178784	0.4786049	0.017794913	-0.61417747	-0.022135137	-0.20490515	0.4457831	0.94239265	-0.36330593	0.89413834	-0.37524825	-0.39273238	-0.6111438	-0.49439532	-0.44917023	0.36917144	-0.4009744	0.25758582	0.61178285	0.2056862	-0.67628574	-0.3090053	0.13136181	-0.21019235	0.35386235	0.66884726	-0.79945576	0.031852327	-0.08626269	-0.27133983	-0.08382484	0.31849164	-0.2669876	0.17669196	0.44753686	0.99997497	0.6477963	-0.4175883	-0.21388057	-0.08448551	-0.08834422	-0.19233887	-0.46916816	-0.12115723	0.20722051	0.61194694	0.29312462	0.0913959
610	0	CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC	0.9954581	0.17317289	-0.69275814	-0.13261583	0.575403	0.76316094	-0.5195102	-0.074831925	0.15832908	0.6570781	0.13745514	0.67052966	-0.76405644	-0.07249466	-0.31317508	0.29632407	0.44781345	0.22716655	-0.15437715	0.078970626	0.19869357	-0.22794145	0.08701464	-0.6348456	-0.6602574	-0.555907	-0.122377135	0.5002331	-0.62030995	0.35824406	0.41040286	-0.7229787	0.6409627	0.09722516	0.091167875	-0.7683648	0.17483181	-0.036892585	0.99099696	0.73202926	-0.87359804	0.36313698	0.29084098	0.398678	0.28856102	-0.88710064	0.16254202	0.7409101	0.9879854	0.56170493	0.12634575	0.4684738	0.17437677	0.76650685	-0.39669576	-0.6143555	0.35119352	0.22321773	0.61820203	-0.1644181	-0.5012	0.39420682	-0.10716166	0.16148864	0.16571897	0.6112235	0.38821012	-0.571641	-0.00965982	0.18660691	-0.42546344	-0.9997975	0.50199276	0.86756176	-0.6477811	0.65533185	0.61854815	0.54234827	-0.4258538	-0.9999542	0.728779	-0.116190515	-0.7805398	-0.23499368	0.3989064	0.8692122	0.3225719	0.2638861	-0.07511195	0.81785285	0.30521458	-0.43980572	0.32660824	-0.5083092	0.9999365	0.3363614	-0.71562374	-0.41935116	0.50488394	0.33045974	0.19608907	-0.046606623	-0.4114312	-0.4867398	-0.8696516	-0.9670336	0.5085404	-0.377372	-0.81103706	0.25374374	0.52658254	0.114330724	-0.8482677	0.13122685	0.55926263	0.7531581	0.2870107	-0.6955226	0.9982126	0.2269282	-0.35805345	0.18313642	-0.26852873	-0.2512081	-0.3817399	-0.24274285	-0.28751364	0.24631286	-0.38370043	0.8897517	0.25933337	-0.03595639	0.06380249	-0.850435	-0.10989125	-0.9078311	0.24654108	-0.5525192	-0.77207744	-0.4528397	0.99917936	-0.3855006	-0.21769752	-0.48472366	0.28277668	-0.56500405	0.150988	-0.050042804	-0.034161706	0.696172	0.37681016	-0.87637067	-0.49926087	-0.5689781	-0.3218175	-0.6930261	0.1096572	0.9091181	-0.9635118	-0.43550172	-0.9706742	-0.8129618	-0.16434023	-0.26298517	-0.4847655	0.41103032	-0.812353	0.5581559	0.49993783	-0.36882997	0.04167887	0.6892083	0.31923163	-0.16693152	0.42944676	-0.8957354	-0.58249485	-0.19901028	-0.77310133	0.79474914	0.20978978	-0.99990714	0.7912655	-0.3683259	0.6086753	0.36314484	-0.081353076	0.6633216	0.54215854	-0.4627078	-0.030278448	0.16355303	0.20336759	0.3800753	-0.40483806	0.20122147	0.52813864	-0.83425564	-0.48087642	0.27465233	-0.28494728	-0.52388096	0.34057537	-0.27353364	0.020476118	-0.34252223	0.53266215	0.47960293	0.16324538	-0.99974704	-0.28241247	-0.07784905	-0.5185456	-0.49233013	-0.20562367	0.020853352	-0.539838	-0.23848064	0.4170404	0.2484532	-0.3014715	-0.103869885	0.5395558	0.49778414	0.9195419	0.16153905	-0.35592526	0.69773704	0.46324953	0.3008086	-0.46211264	0.35129517	0.21623348	0.10398547	-0.4522659	0.27786535	-0.27442557	-0.43371212	-0.63149446	0.36399332	0.875424	0.12788899	-0.034151282	0.32716933	-0.84299326	0.1734266	-0.7897882	0.000832721	-0.41667202	0.6049125	-0.3505204	-0.9998746	0.34106046	-0.18427694	-0.6039135	-0.39994666	0.32463467	0.7552104	0.051594228	0.11763279	-0.07149679	0.033744264	0.7489928	0.12813881	-0.2956352	0.5686032	-0.3132656	0.87984085	0.6971816	-0.4625735	-0.43149838	0.9662122	-0.34661114	0.00540883	0.18494678	-0.96998376	0.78868896	0.56791425	0.49927512	0.42609888	-0.3535849	0.99720913	-0.15032052	-0.7889075	-0.3277044	-0.053871665	0.1884073	-0.37890625	-0.64264697	-0.49106103	0.7449049	0.9913535	-0.5489917	0.9147538	0.6567375	-0.41534734	-0.9982449	0.21369389	-0.12713069	-0.3007887	0.6010466	0.5713062	-0.6506324	0.71631116	-0.514059	-0.28224754	0.04909665	-0.68103343	0.27887586	0.0527301	-0.1488567	0.533221	-0.24010493	-0.31694818	-0.98689514	0.5281087	-0.45465428	0.09608135	-0.9725134	-0.15786296	-0.40626013	-0.65018106	0.0789304	-0.3752747	0.75884295	-0.500548	0.044613875	-0.03642414	0.17875178	-0.659338	0.46975648	0.3568852	0.002993589	-0.0834165	0.6243028	-0.97987217	-0.29447368	0.5613977	-0.49200624	-0.017988576	0.5535467	0.20786121	0.121115945	0.40895608	0.37151375	0.001289345	0.018806241	0.24830474	0.38291466	-0.07952295	-0.91791123	-0.11506265	0.6654201	-0.28866312	0.5015889	-0.07410273	-0.19075294	0.9998564	0.18854186	0.7733702	0.51465356	0.24430384	-0.28617805	0.6782063	0.24054602	0.05227735	-0.46443823	0.46099195	0.10982098	-0.52617997	0.13175768	0.3464558	0.44947022	-0.09329377	0.31970197	1	0.5539748	0.4091365	-0.052546717	0.14658208	-0.19773999	0.37708467	0.12237665	0.54955655	0.7290441	0.23027627	0.61797875	0.34082097	-0.73487806	0.29885244	-0.19786343	0.0630819	-0.2846412	-0.20755059	-0.6928475	-0.96544224	0.2580767	-0.0381625	0.38894135	0.924465	0.98227894	-0.58457977	-0.3011377	-0.48968318	0.36386433	0.052979574	0.18307924	0.5338227	-0.18199454	0.039578203	-0.9414964	0.45525357	0.022014773	0.20783065	0.641261	-0.44792604	0.999947	-0.39130798	-0.88985294	-0.6586674	0.9992174	-0.38311836	-0.2052018	-0.99873626	-0.4121429	-0.56072915	-0.4603325	-0.21038952	0.23928027	0.7847328	0.33754152	0.92416036	0.62619114	-0.06282387	-0.35583472	-0.71703154	0.5364035	-0.11209757	-0.9998669	-1	-0.9589974	0.10359838	0.38050827	-0.56084335	0.069967695	0.57571954	-0.67644316	-0.22146222	-0.44016	0.13059905	-0.05343677	0.64419746	0.1945852	-0.06608089	0.12981132	0.006818129	-0.5118894	-0.6050384	-0.9997542	-0.13318537	0.44094464	0.40731078	0.25917047	-0.16600741	0.92716086	0.6374907	0.25161284	0.4682047	0.63505363	0.42473066	-0.059734114	-0.91478735	-0.30124652	-0.3959536	-0.62125736	0.026728475	0.14919214	0.8307646	-0.14750335	-0.10132271	0.017442714	0.9514565	-0.8677872	-0.085906334	0.047585245	-0.23511769	0.39248753	0.3176254	0.34813696	0.5655995	-0.70389605	-0.2739766	0.21733476	0.94069403	0.6285843	-0.72327083	0.51866555	-0.24928097	0.46217397	0.9997167	0.15957154	-0.53466254	-0.6017122	-0.6105931	0.13708554	0.047113106	-0.9927004	-0.6688806	-0.46856046	-0.3631801	0.7666594	-0.7151027
611	0	CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC	0.9356127	0.46841297	-0.14576738	0.20647496	0.09793376	0.15449685	-0.1187106	0.012377706	-0.45143488	-0.2240075	-0.85868824	0.15772519	-0.18097521	0.46095857	0.65702444	-0.43075255	0.10848489	-0.29936412	0.25553498	-0.6630317	0.0828178	0.19616933	-0.32160568	-0.04191122	0.10956336	0.19753422	-0.52670896	0.18335514	0.6203234	0.46630892	-0.22592695	-0.6207493	0.3429068	-0.77501345	0.7126928	-0.3743794	0.04167922	0.20276614	0.9996276	0.417249	-0.29694417	-0.48103383	-0.3182894	-0.32907218	-0.71188015	0.5045424	-0.3893501	0.55481046	0.9962624	0.13459216	0.35533595	0.22686726	-0.742354	-0.5657197	0.46963266	-0.6121948	0.9406712	-0.5407656	-0.12549603	-0.22795099	-0.76341945	0.26173767	-0.41861996	0.037127472	-0.5527098	0.5641683	-0.7926877	-0.19374487	0.40189016	0.3753264	-0.58534	-0.32823667	-0.43753988	0.864815	0.45427155	0.2550802	-0.09354317	0.43088618	0.51941586	-0.99997497	0.7922715	0.6642919	-0.8225297	0.19196464	0.49809682	-0.9006298	-0.22941396	0.10517912	0.35927564	0.35924318	0.19902612	-0.3995498	-0.59525305	0.39123315	0.99976957	-0.2836439	0.08218386	-0.28878203	0.39692274	0.12525292	-0.16158623	0.45923522	0.16161244	0.9856993	-0.99784243	-0.7672569	-0.54461026	0.70573145	0.9842523	0.7230434	0.498412	-0.46014187	-0.13632812	-0.49841246	-0.73070407	0.14895363	0.86148167	0.8931721	0.87564206	0.3025808	-0.23091456	0.07420816	0.21717031	-0.35276717	-0.40165493	0.25985563	0.14352192	0.7229034	0.5849092	0.99987465	-0.33609515	0.2996881	-0.17661344	-0.109029375	-0.31274945	-0.96319455	-0.8410212	-0.58157784	-0.06965436	-0.053898264	0.9980976	0.15008324	0.42498899	-0.34108478	-0.022331689	0.34780347	-0.18258086	-0.67552006	-0.9902798	0.31178752	-0.21619481	-0.94960505	0.026191926	0.14469095	-0.03850399	-0.014660521	-0.6769675	-0.71652657	-0.73878986	-0.9416774	0.06380647	-0.8834927	-0.4178326	0.03830172	0.42722234	0.31886423	0.016931783	-0.14960957	0.31618708	0.17670314	0.87556136	0.49049863	-0.030658446	-0.29642692	-0.62944514	-0.8326423	-0.44933873	-0.29529583	-0.54024315	-0.24420467	0.46152708	-0.9839869	0.27013168	0.33221376	0.54197586	0.6148547	0.087651506	0.8000892	-0.7111407	0.32697254	-0.9448583	-0.49672288	-0.6054305	0.38364646	-0.04374375	0.29622138	-0.11202175	-0.89355874	-0.18006723	0.40358794	-0.06130878	-0.8153822	0.8313514	-0.11707036	0.23729126	-0.19689713	0.5604558	-0.7595277	0.3100106	-0.9999802	0.3542733	0.14600919	-0.15219036	-0.4467369	0.3124976	-0.23946482	-0.82735384	-0.6816617	0.48634455	-0.22153278	0.159612	0.2982693	0.2511654	0.38907304	-0.9910868	-0.06061172	0.048432905	-0.54655117	-0.5154012	-0.6927512	0.0544605	0.09476788	0.27464285	0.37107232	-0.06403436	0.3091782	0.39806542	-0.5618741	0.55631286	0.34516177	0.9203577	0.8063773	-0.33861417	-0.16352908	-0.9598161	-0.42029962	0.3718934	-0.39032194	-0.60144573	0.846589	0.7298921	-0.9995709	-0.3687424	0.67720294	0.7265325	0.094151095	0.62186027	0.58668053	-0.2122616	0.33248487	0.04067954	0.61200094	-0.12003374	-0.3824164	0.35630134	0.38605848	-0.502477	0.20109284	0.9580765	-0.7003362	0.56780815	0.9929857	-0.6596571	-0.14638652	-0.16662683	-0.8332301	0.34956333	-0.1824434	-0.06686273	0.6785849	0.38375947	0.97926104	-0.18304598	-0.7944217	-0.7965304	0.16629697	0.15856434	0.9665557	0.6192316	-0.36325255	-0.005969848	0.596879	0.33983397	-0.7858139	-0.5081151	0.06180535	-0.9917976	-0.9884091	0.03721282	-0.22983031	0.14187014	0.7408658	0.11439865	0.27438024	-0.6233222	-0.77909184	-0.9961927	0.06661134	0.6681933	0.7370009	0.037501305	-0.47739145	0.058996473	0.060974382	-0.32072258	-0.026666952	-0.15330853	-0.18543805	-0.99982	-0.36929828	-0.007191917	0.6400836	-0.6748773	-0.88469535	0.81764776	-0.6198777	-0.30456147	-0.33673358	0.14902686	0.23935579	-0.4857546	0.56162184	-0.68875134	0.7571429	-0.4240047	0.71076834	0.7189338	-0.5696416	0.89560175	-0.6896682	-0.7892271	0.17218432	-0.5082532	0.79216623	0.014885009	-0.39354444	-0.27891377	0.2446836	0.2780646	-0.9419241	-0.76998526	0.75312316	0.60506403	0.24498631	0.61125135	-0.5011525	0.18577044	0.99966514	0.06630201	0.4736953	-0.41526926	0.003993612	0.9318821	-0.10517556	-0.27081957	-0.3831608	-0.35278273	-0.12580313	-0.03903161	-0.23036103	-0.46733955	-0.2426287	-0.88897276	-0.37319845	-0.0847285	1	-0.07293011	-0.08531157	0.20050633	-0.2985196	0.7593268	0.42623374	0.6781364	0.48291823	0.64548403	-0.16330585	-0.27144256	0.32333237	-0.55308694	-0.6566579	0.30453354	-0.043109592	0.39657506	-0.11731126	0.2732653	-0.99507385	-0.569061	-0.71544343	-0.9567538	0.28028193	0.94475955	0.16168126	-0.13620208	-0.1788221	0.7386603	0.18607926	0.82138705	0.1775765	-0.7525382	0.34167713	-0.72591525	-0.86502683	-0.35144898	-0.82952017	0.42830384	-0.6099036	0.9999994	-0.36332658	-0.819497	0.12437858	0.9853376	-0.4820974	0.57219136	-0.9999466	0.05452117	-0.9901689	-0.8329484	-0.8102135	-0.09307825	0.4019239	-0.04817266	-0.8447687	0.62849444	0.36249867	0.4656037	0.5781313	0.40918356	0.04336933	-0.9994838	-0.99999905	0.4947787	0.6876368	0.3243323	-0.025277825	0.0706498	-0.09308916	0.94768167	-0.5197663	0.3026735	0.78480947	0.19912905	0.15255632	-0.32029212	0.8564918	0.7587455	-0.68823594	-0.51016974	0.8953417	-0.9968418	0.12813339	-0.23664962	0.45154637	0.21713273	-0.38138372	-0.38846177	0.823799	-0.045688994	-0.70997727	-0.7389426	0.17409159	-0.39279044	-0.91666245	-0.25396162	-0.9953381	0.44154564	0.37081143	0.11148949	0.542169	-0.6093646	0.18271656	-0.35477665	0.18758428	-0.98691195	0.049270276	-0.46664244	0.30004144	-0.0395757	-0.090354085	0.3882702	-0.625791	-0.61026	0.40257946	0.040982086	0.9996702	0.5399613	-0.7768996	0.53740174	0.19165875	-0.29085022	0.99998605	0.53084195	-0.66130626	0.2650822	-0.559921	-0.6369007	-0.32960668	-0.99980175	0.12098496	0.29765525	0.063971415	0.06623077	-0.5444668
612	0	CC(=O)OCCOCCOCCOC(C)=O	0.9362717	0.20742664	-0.42194527	0.20755295	0.48911747	-0.08605936	0.07310833	-0.002156992	-0.22749896	0.12676743	0.44809422	0.27664974	-0.04357047	0.7164671	-0.020727534	0.74210787	0.5360254	-0.33578506	0.6023018	-0.45946974	0.3624996	-0.60837495	-0.09767014	0.34075943	0.18547095	-0.16671199	-0.35364604	-0.005738386	-0.48150352	-0.014669675	-0.18983026	-0.292321	0.2622003	-0.7542972	0.6809849	-0.3388775	0.34141362	0.5030123	0.8543993	-0.56923866	-0.91739976	-0.49511996	0.024550563	-0.20507234	-0.77833754	-0.96727985	-0.075168364	0.5128397	0.9950485	-0.48080114	0.35732928	-0.1550501	0.06871241	0.031642295	0.10151274	0.1681469	0.89236575	0.9091493	0.19458395	-0.1600571	-0.33682346	0.15978	-0.2620881	0.077378444	-0.60780346	0.3292447	0.6195802	-0.60584253	0.34124666	0.27983713	0.15093765	-0.99983174	-0.62613636	0.816769	-0.019321125	0.72701126	-0.56107575	0.44930637	-0.12137711	-0.99999183	0.7841897	-0.49705592	-0.43302593	-0.72205335	0.7784633	0.9007963	-0.012437004	0.15468659	-0.021314032	-0.05138868	-0.14914258	-0.13587368	-0.4554313	0.48153988	0.99975204	-0.2150649	-0.7914645	-0.39085522	0.13616039	-0.20963795	0.15528521	0.07320915	-0.30458757	0.85414577	0.34811002	-0.9288138	0.39732325	-0.012632607	0.9812878	0.7562673	0.43823904	0.22847809	0.4914116	-0.26224744	0.04854942	0.07518466	0.19456376	0.5706975	0.9978461	0.80706185	-0.3898729	0.33902892	0.4196203	0.027128289	-0.23710561	-0.32309335	-0.2426247	0.6256548	-0.1408955	0.85870796	0.21071982	-0.3984883	-0.29131335	-0.17081618	0.10510975	-0.8708691	-0.5731208	-0.5032247	0.52062744	-0.23206404	0.99922	-0.5215149	0.59155357	0.07118486	0.15871465	0.40321726	0.008424293	-0.5561327	0.8551634	0.47439447	0.26201957	-0.80927175	-0.5753995	-0.4441909	-0.29327214	-0.17604935	0.32666588	0.99489844	-0.17846501	-0.9181557	-0.97167605	-0.4277373	0.308062	-0.15822855	-0.37257814	0.26446614	-0.42304537	0.5830124	-0.3753236	0.281852	0.38758504	0.43804416	0.28866336	-0.16198067	0.117754154	-0.8397645	-0.41076684	-0.30486086	-0.7775078	-0.3091579	-0.13639934	-0.9980076	0.56513125	-0.012572603	-0.27385694	0.79567754	0.29345003	0.6545045	-0.24651416	0.36234534	-0.37641117	0.05446132	-0.43185192	0.23598665	0.25393474	0.10360247	-0.4279563	-0.9157107	-0.23247205	0.051352095	-0.20467933	-0.63533765	-0.018110625	0.39254013	0.50780153	0.24405234	0.5561422	-0.62497765	0.17834884	-0.9982788	0.6707587	0.27482623	0.041109983	-0.25045794	0.066157505	-0.08407711	-0.45238104	0.39264646	0.18640111	-0.08650704	-0.46862176	0.49897835	0.64320415	0.45038357	-0.9872353	0.17272188	-0.1736793	-0.08010885	-0.466008	0.28579614	-0.15904859	-0.027641607	-0.41182375	-0.4505392	-0.089415945	0.079096645	-0.3286541	-0.048711337	0.23174505	0.6467558	0.88075	-0.042118594	-0.27768126	0.17638391	-0.7597426	0.032419726	0.22410169	0.658042	0.50140804	0.62841976	0.48388323	-0.9997781	0.5158251	0.21640794	0.72894686	0.6570468	0.05074878	0.40523762	-0.46985638	-0.134285	0.7801142	-0.16659439	0.66047627	0.56928205	0.60270983	-0.15955357	0.3049989	0.39480808	0.8953526	-0.51577157	0.43550074	0.78796065	0.21436912	-0.07500928	0.1365909	-0.6693267	0.12952548	0.27121705	0.010335583	0.54324764	0.02610217	0.9990457	-0.49424818	-0.6100751	-0.4402276	0.12360278	0.014869885	0.09932275	0.6304288	-0.23433189	-0.1917743	0.9990403	0.13649136	-0.3244943	0.123023905	0.5438412	-0.9920326	0.30636454	0.4618101	-0.68302566	0.14966133	0.3922225	0.18566248	-0.29864863	-0.6177156	0.089052215	0.8847198	-0.31111684	0.21999775	0.4320543	0.17983276	0.37619376	0.36534262	-0.16089447	-0.788295	0.42657685	0.34360138	-0.10888421	-0.9998994	0.13770716	-0.29550397	-0.259104	0.09504341	-0.64854	0.9103524	0.39029843	-0.36359367	0.74533033	0.45813528	0.2304672	-0.34492576	0.707205	-0.18281735	0.22678433	0.53637445	-0.9726914	-0.36251572	0.17226566	-0.63552827	-0.3933326	0.22383207	0.1304495	-0.782617	0.9438958	-0.024337303	-0.33886155	0.32816282	-0.03860913	0.56708366	0.79890937	-0.98593926	0.6223326	-0.32496852	0.3844567	0.4931323	0.17696413	0.6488465	0.9993221	0.2950106	0.89802235	-0.8124571	0.4740789	0.7431	-0.5390437	0.7997834	0.4725962	0.5223394	-0.5653307	0.21579476	-0.057164878	0.52054304	0.4662562	-0.6527432	0.46981964	-0.43101192	1	-0.21665418	0.062849715	0.073415995	-0.83546925	-0.07938344	-0.21523319	0.9023901	0.39107636	0.5943093	-0.1332264	0.46927902	0.097361244	-0.5221002	-0.43173775	-0.29114673	-0.41308424	0.16233894	-0.24423595	-0.057596415	-0.96550614	0.7550698	0.8807011	-0.812177	0.78872156	0.89920706	0.21584576	-0.14452343	-0.3848656	0.25208235	0.41955912	0.033692542	-0.28690556	0.104293734	0.12527417	-0.8255712	-0.54537606	-0.6725619	0.2466191	0.102100216	-0.6073936	0.99999964	0.06549672	-0.7337542	0.29567268	0.9979105	-0.102174886	0.4659357	-0.99990463	0.4050857	-0.9429825	-0.9381201	0.07639954	-0.74898344	-0.000483434	-0.26153684	0.9556601	0.46816656	0.025379242	-0.58482885	-0.41207877	0.30200142	-0.26938227	-0.999873	-1	-0.9588487	-0.69933695	-0.1627689	0.6974206	-0.5199637	0.5493872	0.9399538	-0.098345526	0.47756281	0.31093517	0.18622287	-0.06993699	0.49935928	0.39242536	0.5374646	-0.17903078	-0.21842583	-0.9403872	-0.99969584	-0.07182384	-0.44556597	0.092674226	-0.59579766	0.14034866	0.5603945	0.5856162	-0.001208167	-0.18418568	-0.48963356	-0.15993822	0.021281425	-0.8594438	-0.35956758	-0.6276369	0.25945973	0.25464192	0.1932628	0.7948745	-0.14330262	0.3735933	0.22393723	0.9675412	-0.9183588	0.22823717	-0.22706899	0.59971875	0.17311335	0.14968525	0.7176466	-0.6336174	-0.64035875	-0.011226485	-0.0559265	0.41932437	0.70137095	0.10677182	0.5930131	0.28207037	-0.2986476	0.99998015	0.26237047	-0.07431639	-0.6142154	-0.34113422	0.07701961	0.3110139	-0.91684866	0.37906805	-0.16124527	-0.61684895	0.06331555	0.64637893
613	0	COCCOCCOCCOC	-0.015813544	0.4695174	-0.0729381	-0.012008058	0.35500315	0.19045489	-0.10217014	0.047622334	-0.8167698	0.17765594	0.15823595	0.25881207	0.055564217	0.071177654	0.062999845	0.36229947	0.51262265	0.35148767	0.37125927	-0.27790704	-0.20323016	-0.8036984	-0.094563216	0.23725672	0.6037482	-0.47143444	-0.32664233	-0.35903826	-0.118628144	0.14216092	-0.26009327	0.02183038	0.53808266	-0.3102368	0.19949983	-0.31696132	-0.36612245	0.59746426	-0.6817024	-0.8676523	-0.9868337	-0.57482684	0.28573763	-0.49511096	-0.46038863	-0.9916221	-0.03320395	0.6016243	0.8714478	0.5589797	0.58988684	-0.64004594	-0.5646722	0.017635595	-0.16718978	0.1252956	0.91537356	0.982734	-0.20213151	-0.3608963	0.13395011	0.2220626	0.08762065	0.037159167	-0.5904789	-0.35728464	-0.45168102	-0.84455645	0.21096809	-0.27026966	-0.000215612	-0.9998408	-0.28453127	0.8246626	-0.09115138	0.18794863	-0.6602746	0.33218855	0.08347589	-0.99984884	0.77439284	-0.17095295	0.05911974	-0.37072378	0.23258056	0.94173795	-0.14641237	0.44521028	0.3369059	-0.14998351	-0.1612833	-0.45222208	-0.26543373	0.1813397	0.9877403	-0.14384976	-0.12322067	-0.41479194	0.44264603	-0.16556284	-0.3097571	0.20725514	-0.23649383	0.14027481	0.9789336	-0.8354775	0.67335135	0.11418235	0.99145263	0.72465074	0.55180144	-0.19324069	0.6814127	-0.17039339	-0.13543852	-0.16294363	0.27260605	0.7117663	0.99621475	0.69819784	0.40911934	-0.26182383	0.4249704	0.18265752	-0.16818921	0.5872234	-0.49206346	0.14510716	-0.299319	0.951275	0.28955674	-0.5874102	0.15824418	-0.30160293	0.07238296	-0.8895775	-0.6213647	-0.398562	0.60414636	-0.14656423	0.999664	-0.6760504	0.9533184	0.16310449	-0.16161825	0.6648739	0.4374416	-0.6209578	0.99560934	0.42513388	0.67599016	-0.5790734	-0.5849738	-0.57059336	-0.38922983	-0.077583596	-0.18732394	0.9989105	0.01815672	-0.7543737	-0.9840606	-0.33866137	0.20778398	0.33537212	-0.08921088	0.33896026	-0.7474236	0.72310865	-0.1811856	0.43877798	0.38449362	0.54554915	0.031409666	-0.37769017	-0.040772364	-0.8880261	-0.4441128	-0.11007275	-0.7598861	-0.69807297	-0.02716904	-0.4814041	0.20875973	0.35351908	-0.8727083	0.28964433	0.3576771	0.33637866	0.32271677	0.84971356	-0.42351928	0.005699522	-0.59200996	-0.333063	0.051902592	0.28254408	-0.2393089	-0.8916572	-0.09800876	0.2926392	-0.5732328	-0.6752773	-0.084288664	0.122812316	0.49279806	0.13196105	0.4032065	-0.7785697	0.056029916	-0.8295797	-0.0721509	0.20366558	0.6044571	0.05635145	0.41326165	0.30517706	-0.6265928	-0.07717588	0.48362133	0.382182	-0.5582716	0.03882171	0.52174294	0.4655217	-0.92933166	-0.44727027	0.4905247	-0.2180904	-0.081735164	0.2674815	0.536869	-0.30932263	0.11554227	0.26569778	0.67087126	-0.5471908	-0.3978314	-0.65302706	0.25541687	0.46177414	0.91413325	-0.35739592	-0.5767817	0.06136997	-0.43847153	-0.17340308	-0.013307968	0.49304906	0.17571124	0.43299872	0.18926571	-0.9995967	0.19039091	-0.07454212	0.59770215	0.4104325	0.14203069	-0.21503621	-0.42694294	0.034035396	0.21793729	-0.22219099	0.7023222	0.47368637	-0.144312	-0.036098	-0.534333	0.56772715	-0.10483331	-0.3462665	0.2952977	-0.45010006	-0.2680381	-0.17108801	-0.44077703	-0.75436187	-0.15681753	-0.13353725	-0.33557296	0.8216256	-0.57962376	0.9982221	-0.41915727	0.17616859	-0.6217655	0.746302	-0.040478855	-0.027983824	0.9833494	-0.23653819	0.13106559	0.99927604	0.338316	0.42381296	-0.007028317	0.5355436	-0.99637187	0.003696976	0.14060152	-0.17061207	-0.36589667	0.420569	0.8345869	0.10294209	-0.65286016	0.20040019	0.99549264	-0.4069283	0.15856685	0.6079667	-0.010727281	0.44727755	0.6362536	0.17345412	0.7287761	0.45500782	-0.053274278	-0.5264937	-0.9999257	-0.118505806	-0.46084726	0.10618344	0.06434769	-0.5707156	0.7184348	0.09894724	-0.5787455	0.41688022	0.43722385	0.37393093	-0.33838803	0.29537812	-0.24610513	0.008332171	0.3788166	-0.94038284	-0.36720514	-0.36290532	-0.64508486	-0.58600765	-0.5361269	0.079572044	-0.33195147	0.92922205	0.268676	-0.5558834	0.3407648	0.21812391	0.5871647	0.9779549	-0.991849	0.6632036	-0.14105786	0.47442344	0.3680206	-0.02993872	0.38699692	0.9927951	-0.002184481	0.24751945	-0.47800395	0.16074142	0.4968229	-0.39393735	0.73488075	0.17693345	-0.03905376	-0.83231705	0.31000763	-0.2922052	0.381688	0.12757374	-0.82249606	0.7386065	-0.3138751	1	-0.048547503	-0.061501876	-0.08666061	-0.45032755	-0.50598234	-0.06145495	0.8448137	0.48543963	0.37067237	-0.70288795	0.071311176	-0.60217947	-0.5862471	-0.5544475	0.11290627	0.072320454	0.2743409	-0.46734002	-0.45854348	-0.78794193	0.7866093	0.7857982	-0.46372405	0.72615623	-0.41886464	-0.16203463	-0.3497231	-0.17548741	0.17769332	0.14383185	0.5456566	-0.21531712	0.5564711	0.26133233	-0.8462277	-0.06431151	-0.53397864	-0.6779309	-0.06734392	-0.8044838	0.9999995	-0.26989692	-0.52762234	-0.605967	0.99380416	0.5290151	0.58298063	-0.99991083	0.16917525	-0.7440299	-0.89721704	-0.1471218	-0.718722	-0.2322955	0.10196214	0.9604144	-0.28976104	0.08389037	-0.24072348	-0.19681415	-0.024290552	0.09412229	-0.99904615	-1	-0.986408	-0.7187064	-0.26563102	-0.27831286	-0.05506522	0.5990295	0.80919725	0.23177278	0.72146285	0.58852726	0.019541183	-0.038610153	0.44954985	0.68762004	0.30422166	-0.11797262	-0.7745806	-0.99084806	-0.99899197	0.3868364	-0.13516133	-0.09510897	-0.028562404	-0.1997728	-0.80715954	0.05295226	-0.099636026	-0.21038184	-0.16869086	-0.47814995	-0.02168068	-0.9038655	-0.008742436	0.19563486	0.46142724	0.7442264	0.2573038	-0.08149546	-0.37957	0.28000885	0.037142675	0.92279327	0.27944076	0.7279431	-0.26853135	0.50849795	0.12341292	-0.21621494	0.68539554	-0.705101	-0.3035908	0.44851294	0.19369984	-0.9333007	0.3502017	-0.5487817	0.31646988	-0.095222026	-0.4428504	0.9998821	-0.04966503	-0.60076535	-0.07404325	-0.23111793	-0.01586137	0.23565164	0.4268117	0.13540763	-0.2024026	-0.5979536	0.2779346	-0.01624969
614	0	CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	-0.013729273	0.21137266	0.06527563	-0.5222273	0.02740649	-0.79192007	-0.49544	0.4061639	0.52570325	0.09407629	-0.38245735	-0.11774234	-0.5010599	0.55621237	-0.11048123	-0.7667992	0.2529807	-0.16708645	-0.10677823	-0.01001694	0.32160088	0.40947336	0.23654576	0.7412499	-0.07503288	-0.061692484	-0.13810329	-0.14938237	-0.18653789	-0.72680515	0.2879269	0.43227476	-0.8156308	0.6536338	-0.5874667	-0.6595536	-0.13476574	0.48136067	0.99844486	0.060525198	-0.97832924	0.17246723	0.23178935	0.33968547	-0.6998888	-0.623641	0.40271255	0.21163148	0.917594	0.2855454	0.4562329	-0.06549078	-0.5042927	-0.13178946	-0.63524234	-0.019217316	-0.2268153	-0.6420821	-0.45877	0.3268514	0.42996976	0.8506676	0.28634056	-0.3797615	0.4793411	0.85286355	0.70625496	0.2491732	-0.47296214	0.05213438	-0.5297589	-0.79701096	0.4761175	-0.65092915	-0.16077997	-0.7494866	-0.16353613	-0.14062487	-0.07660318	-0.99972737	0.83300036	-0.428779	-0.8830994	-0.73152924	-0.2915502	-0.78620195	-0.07470791	0.574993	-0.7879776	0.40229732	-0.26033017	-0.17260265	0.025647806	0.3167917	0.99976593	-0.10086932	0.3630986	-0.14405999	-0.037302878	-0.0567578	0.18700473	-0.339211	0.03938456	-0.6756978	-0.98436886	-0.73067075	-0.049302567	-0.35935616	0.99056023	-0.08941694	0.6443809	-0.07896054	-0.57567257	-0.4095687	0.43422678	0.1999573	0.14555298	0.008479574	0.9962493	-0.5672713	0.5175935	-0.06505661	0.13540679	-0.5650047	-0.6866405	0.28385216	-0.42321622	0.12958862	0.42742422	0.9997904	-0.03410966	0.56171656	0.131404	0.48912328	-0.48718962	-0.98818094	0.75836784	0.6297072	-0.89360535	-0.51449823	-0.99737453	0.09128634	0.37478018	-0.5171253	-0.3105919	-0.74299026	-0.533913	0.29323417	-0.66223466	0.07792671	-0.6141035	-0.25298974	-0.4453064	-0.44286022	-0.7993741	-0.1986775	0.19613174	0.06359707	-0.95215404	-0.8966096	-0.79622024	-0.3817898	0.17576343	0.49518475	0.58498573	0.5913313	-0.6563433	0.1015967	0.17169522	0.36500916	0.03223295	0.25213513	-0.2675059	0.30876842	0.56575894	-0.7745361	-0.83741665	0.41223305	-0.3555799	0.21104749	0.1905755	-0.9971901	-0.7303434	-0.71581835	0.6592468	0.12838666	0.075315885	0.14854102	-0.8805227	-0.73700523	0.36790875	0.8008604	-0.044793654	-0.10277303	-0.62891245	-0.1288711	0.80089295	0.88192105	-0.058037728	0.7811096	0.069169775	0.5904391	0.29006183	-0.060622483	-0.65401644	-0.84770006	-0.039794706	-0.13026345	-0.06701076	-0.9992861	0.25569698	0.1058641	0.095999695	0.22716582	0.006854806	0.5820657	0.06456852	-0.47229353	-0.17075153	-0.7476788	-0.1853642	-0.8817621	-0.20777953	0.6415481	-0.9773351	-0.2613731	0.5581555	0.7766777	0.3461433	-0.5894237	0.32652426	0.7584459	-0.008801948	0.6121249	-0.65755904	0.3148795	-0.24440895	-0.54114544	-0.17742756	-0.25331262	0.5045274	0.4816008	0.529219	-0.008494266	-0.45559478	-0.2677584	-0.67218083	0.048897564	0.24887396	-0.036523696	-0.6476537	-0.9985234	-0.73313254	0.28960726	0.17450503	-0.5278247	-0.29192218	-0.73592937	-0.3129832	-0.60792	-0.75322944	-0.007644005	-0.65134406	0.5867217	0.7633382	0.06221621	0.32776347	0.21986733	0.9019803	0.41920125	0.4397993	0.9223282	0.4243794	-0.052701272	-0.23088104	-0.59021264	-0.24769042	-0.5066379	-0.91887003	-0.3405245	-0.24074768	0.99474305	-0.631475	-0.51963466	0.48708662	0.5903066	-0.3444044	0.93634903	0.958346	-0.35373974	0.53260523	0.91332436	-0.21295016	0.9742141	-0.4500908	-0.59013224	0.9987473	-0.9831228	-0.69295204	-0.18870583	0.34859604	0.9236285	-0.8524933	-0.007388896	-0.40705895	-0.36164114	-0.8731735	0.38886914	-0.34505546	-0.35214558	0.6839289	0.27474448	-0.27478442	-0.2940583	-0.9191168	0.86408997	0.55995077	-0.23507024	-0.9999827	-0.31755602	-0.10177315	0.021500995	0.5711759	-0.90031904	-0.27000737	-0.6387815	0.20259832	-0.9379007	-0.49952906	-0.16437176	-0.20457764	-0.6076859	-0.39296022	-0.6278828	-0.6990141	0.35179898	-0.31255227	0.4887077	0.067574315	0.85012966	-0.4258412	0.86496073	-0.14029263	-0.22678986	0.24824376	-0.35319713	0.72322243	-0.12971583	0.24586762	-0.7309587	-0.8868354	0.045213196	-0.31441465	0.1741845	-0.44539508	0.59374523	0.3367174	0.99985254	0.05281097	0.1874564	0.03327074	-0.75396854	-0.53552216	0.058576014	-0.6742322	0.52133965	-0.122429416	0.028057665	-0.32827017	0.16436006	-0.5856313	-0.009639742	0.535205	-0.05361743	-0.23998824	1	-0.004422471	-0.13944076	-0.34559295	0.51845837	-0.00348837	0.20086402	-0.5702922	0.019246755	0.5607843	-0.28161097	-0.14401683	-0.570628	-0.5806754	0.6986661	0.1159104	-0.8301459	0.19649969	-0.41319582	-0.21420172	-0.91441774	0.4817448	-0.7758898	0.8636776	0.000275251	0.91169566	0.102321185	-0.5256536	-0.4784192	0.14971404	-0.41734123	-0.067798145	0.9977809	0.33235428	-0.17080833	0.77228457	0.3995689	-0.5701277	0.894392	0.60580885	-0.06572318	0.9999999	-0.3041743	-0.9382381	0.042064767	0.9997147	-0.7773674	-0.76631635	-0.999972	-0.39715496	-0.18235503	0.84040993	0.19805305	0.08016783	-0.25173843	-0.22973382	-0.62362623	-0.41396314	-0.28163487	-0.47042286	-0.38143602	0.040740747	0.2034571	-0.99994683	-0.9980519	-0.83746886	0.69125366	0.3183561	-0.37680644	-0.585183	-0.7253029	-0.85001665	-0.8568131	-0.2776002	0.6343894	-0.89660317	0.59670264	-0.53342927	-0.338798	-0.40886882	-0.109313585	0.41235203	0.45967087	-0.9998945	-0.11136464	-0.09628863	-0.31555757	-0.18033132	0.41620785	-0.08480717	0.79614073	0.65932393	-0.6775048	-0.43595558	0.10794334	0.6100051	0.95608914	0.68429077	-0.049021818	0.45515126	0.24300389	-0.67500436	0.5150222	0.12159364	-0.5345798	-0.50225043	-0.21142703	-0.4523893	0.20953125	-0.4734418	0.39942926	-0.66434973	-0.050663397	-0.03878488	0.84287703	-0.35299188	0.12547933	-0.12361826	0.97659093	-0.20382138	-0.063610196	-0.6857226	0.7479477	-0.6884614	0.99684376	0.68679416	-0.34569553	-0.8235588	0.5579013	-0.83458436	-0.11974449	-0.97678775	-0.54426014	-0.5253843	0.5062578	0.62209445	-0.08758125
615	0	COC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1	0.9664708	0.22361922	-0.49688047	-0.17485914	0.022523297	-0.3106937	-0.58139753	-0.46755376	-0.28876856	0.1579832	0.8620999	-0.4353685	0.069979385	0.81880033	0.37788764	-0.6400874	-0.39944252	0.53706527	-0.020179579	-0.5085171	0.11965822	0.6885168	0.35715723	0.28225052	-0.12412556	0.021947306	0.58129704	-0.2802997	-0.63862276	-0.1227515	-0.8559209	-0.45130327	-0.17991698	0.2362648	0.6003899	0.43816608	0.2564295	-0.25266182	0.9997704	0.7693582	0.5998796	0.006140689	0.6605593	0.59876484	-0.5336099	0.97453386	0.7617905	0.04197272	-0.19035609	0.46931103	-0.027352262	0.09112374	-0.8534953	-0.32620385	0.8223918	0.22506738	-0.2999848	-0.98579013	-0.2199129	0.5268521	-0.55381376	0.1437279	-0.17568558	-0.6100196	-0.15931307	0.5487555	0.050007734	-0.5884883	0.2802567	0.41777617	-0.99278444	-0.9980101	-0.2950183	-0.45709088	-0.8248519	0.3956574	0.10664823	-0.7330697	0.4194084	-0.9996527	0.4183469	-0.12093847	-0.95491004	0.08321215	-0.60307956	-0.09127021	0.76208746	-0.20385654	0.4572604	0.4248113	-0.17412241	0.14994967	0.90588415	-0.56488895	0.99999726	-0.117443755	-0.9105613	-0.034110576	0.17912942	-0.36300793	0.48528537	-0.75889	0.010208968	0.77970195	-0.9998272	-0.99202764	0.058140777	-0.22800398	-0.9996132	0.31621855	-0.41110134	0.12336486	-0.8589823	-0.14707126	0.628803	-0.28106907	0.30457398	0.41274723	0.27264407	0.18540129	-0.4570469	0.010366171	0.035676133	0.74297154	-0.23160712	-0.7376624	-0.5958557	0.13392177	-0.099449754	0.8960933	0.106925815	0.16445446	0.05783894	0.09148313	-0.68707055	-0.9668947	-0.6710007	-0.31797194	-0.4723492	0.58026063	-0.99999607	-0.2608332	-0.970762	0.2110193	-0.34950668	0.50710917	0.13292131	0.50754243	-0.99977523	0.09807775	-0.4861268	0.8864051	-0.34518024	-0.7446515	-0.7263515	0.60596424	0.49035653	-0.9963597	-0.9324787	0.7076797	0.7601215	0.002791535	0.01737147	0.44529662	0.14128813	-0.38698012	-0.25711337	0.13360395	-0.05136515	-0.44068336	0.5664215	0.47573406	0.54556376	-0.5225839	0.094481125	0.56358147	-0.21136561	-0.22229445	-0.8774763	0.17967317	0.027467832	-0.9998614	0.003944462	-0.51917976	0.96931297	-0.026081111	0.47262305	0.34521073	0.62587154	-0.81822777	0.7831061	0.3133652	-0.007982572	-0.34194222	0.16014104	0.5827082	-0.12107179	-0.9120452	-0.8020383	0.007770786	0.30206794	-0.04324693	-0.18001053	-0.12306443	-0.25798	0.45514604	0.7157808	0.24330726	0.5457255	-0.99989384	-0.18908237	0.70851994	-0.5306401	0.44280225	0.280474	0.3589478	0.11890809	0.029124588	0.30489343	0.11655173	0.03860925	0.074729376	0.6644566	-0.5161386	-0.9476975	-0.1737969	-0.10755284	-0.46476415	-0.56508696	-0.42520252	-0.60907197	0.8261122	-0.42885366	-0.56420296	-0.6398478	0.3300722	-0.13030961	-0.13658388	0.11388115	0.5562918	0.8564587	0.23171799	-0.532911	-0.04348566	-0.31622714	0.31804043	0.23579395	0.58150464	0.10553462	0.3935318	0.4825756	-0.97655034	-0.7080986	0.3926208	0.16063651	-0.6121831	-0.8334014	0.52639914	-0.007743583	-0.16503713	-0.631775	-0.17003296	0.6629889	0.42898613	0.18408857	0.4911072	-0.6928042	0.7618305	0.8505349	-0.24856262	0.7432517	0.9986276	-0.06951439	0.0765821	0.55170333	-0.89894605	0.79939634	0.90871257	0.02874567	-0.04394116	0.0690066	0.50496066	-0.6390225	-0.50457376	-0.030812938	-0.3721633	-0.7419933	-0.6610358	-0.99904823	-0.6045505	0.22632116	-0.89151734	0.024853284	0.6187783	0.51346195	-0.01998304	0.99999404	-0.053126078	0.27558544	-0.2249218	0.28124475	0.23264743	-0.6588683	0.49639285	0.7020235	0.8307521	-0.9997495	-0.15051408	0.7957076	0.22480407	0.741372	-0.24317114	0.15641701	0.36466244	-0.9762431	0.20470531	-0.013471491	0.27763686	0.9688388	0.5930291	0.3132345	0.13106692	-0.5423841	-0.5293258	0.72749877	0.31149518	0.12658675	0.11289465	-0.6926171	0.1760196	-0.3859843	-0.3149593	0.33839047	-0.11413785	-0.43327597	-0.91034603	0.27159718	-0.38148424	-0.35873982	0.023061523	0.1935486	0.56399196	0.059527893	0.19397011	0.1545752	-0.8760754	0.54205704	-0.09371323	0.66586965	-0.9944295	0.8247938	0.33578444	0.24027155	-0.47803095	-0.45838732	-0.8574795	-0.60993063	0.99966884	0.12182124	-0.10294261	-0.101324394	0.081302986	-0.49081677	-0.36624217	0.6416358	0.057992313	0.082684	0.2838825	-0.3201057	0.041912418	0.8046687	-0.72349054	0.608642	-0.8863704	-0.3289771	0.96943825	-0.21726422	0.06969421	0.05058218	-0.18446435	0.68674076	-0.27946043	-0.814103	-0.08408136	0.094369285	0.534816	-0.4402295	0.07089184	-0.45651996	0.69691163	0.53830105	0.7480866	0.24072829	0.17479676	0.6611269	-0.8667371	0.82000804	0.6440817	-0.6106829	0.75504404	0.9997149	-0.10186476	-0.52438086	-0.26206705	0.83270794	-0.046817783	0.64697593	0.7057463	-0.04290428	-0.83512837	-0.1476077	-0.53629154	-0.3963001	0.17175539	-0.4084498	-0.42474455	0.88719547	-0.16890112	-0.9289462	-0.056232452	0.9987976	-0.54791284	0.35768148	-0.9831698	-0.48578712	-0.94503987	-0.051494967	0.16435353	-0.32466185	0.58890307	0.8831908	0.72489846	-0.7563389	0.7755842	-0.19445334	-0.5962978	-0.68806684	0.18765552	-0.9993243	0.9980921	0.88357097	0.46369955	-0.6903486	-0.41358793	0.33758032	0.6044446	-0.87071794	-0.82232845	-0.33677992	0.64687407	-0.2642519	-0.007165811	-0.3208297	0.6715654	0.35293365	0.62641805	-0.7917383	0.98625344	-0.98139536	0.14764684	0.7003106	-0.06909978	-0.3300533	-0.28866056	0.9910881	0.7399346	0.9230362	0.43985718	0.41615158	0.04416072	-0.71502435	0.98094535	0.21523674	0.76403075	-0.010500974	-0.4288795	-0.47250283	0.42672405	0.14069377	-0.74892324	-0.35196552	0.92023164	-0.8544622	0.18967696	-0.13268879	0.52328944	-0.27769706	0.6380156	-0.48009184	0.81013817	-0.17539424	0.07120615	0.7264867	0.9996705	-0.28028968	-0.33398977	-0.45502236	-0.46036965	-0.05930574	0.99994206	0.09295294	-0.07235416	-0.32293472	0.3681871	-0.44117308	0.5382324	-0.99932265	0.19724487	-0.90779537	-0.40474504	-0.07384158	-0.4319649
616	1	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1	0.88262993	-0.19364183	-0.7660037	0.46470588	0.35154533	-0.7012694	-0.9947978	0.39814085	0.566062	0.017714115	-0.4420869	0.19956818	-0.3282796	-0.74869376	-0.39926472	0.32353836	-0.29883927	0.6100171	0.20354193	0.07336902	0.6884242	-0.25367227	-0.37767234	0.07986443	-0.11727904	0.6792996	0.18637435	0.40237314	0.64196026	-0.43569815	0.031474914	-0.6719158	-0.63991463	-0.30950418	0.5636752	-0.41200322	-0.07502681	0.2887269	0.9981947	-0.8532337	-0.78301173	-0.089023404	0.114667036	0.18334843	-0.19557787	-0.4593603	-0.32162562	0.57937104	0.9987685	0.15084946	0.19306433	0.3806028	-0.06382637	0.21614131	-0.7808324	0.39535978	-0.52798665	0.009137404	0.002199987	0.5362619	-0.21851125	0.33650893	0.6521075	-0.2822404	-0.6914402	0.43436125	-0.3701951	0.48419178	-0.3386609	-0.09206453	0.84580636	0.18254238	0.116863064	0.118770674	0.41905472	-0.855801	-0.23057751	-0.6905855	0.05257235	-0.9931143	0.2074105	-0.22972675	-0.6037246	0.043501414	0.02418908	-0.95234996	-0.4805312	-0.5731718	0.3321513	-0.030159855	0.3256468	0.006685218	-0.22272335	-0.25024953	0.9880305	0.033510763	0.33483863	-0.18856291	-0.1353852	-0.6757239	0.10134318	-0.49706924	-0.14751789	0.98521584	-0.98796904	-0.83113366	0.45897582	0.47196427	0.99116373	0.13952577	-0.37420136	-0.12791468	-0.016366562	0.22777249	-0.21126774	0.53837985	-0.15167657	0.57947356	0.99022007	-0.2292106	0.3949088	-0.18034379	0.14157538	0.23097454	-0.30660653	-0.5611972	0.15130018	-0.4134887	-0.33691636	0.99993277	-0.33044344	-0.19431408	0.4978115	-0.46889544	0.39846626	-0.95369256	0.3257815	0.4965935	-0.4183288	-0.36203885	-0.9999848	-0.5576521	0.9209657	-0.7581199	0.40598497	0.5343582	-0.010714363	0.6856441	-0.906735	-0.29168448	0.27433044	-0.6307224	0.4994858	0.45660898	-0.10637688	0.23066221	-0.062068865	0.498483	-0.6631418	-0.94773614	-0.76143247	-0.2495817	-0.6201655	0.74127775	0.047319196	0.2647783	-0.4839184	0.40376908	-0.6223312	-0.58220124	0.06748644	-0.39209768	0.6075474	0.14877015	-0.1691806	-0.94239	-0.66009986	0.8405472	-0.71268135	-0.54734445	0.8187808	-0.83067334	0.41237268	0.001810396	0.030623836	-0.36988434	0.5497909	-0.5627566	-0.116728224	-0.37014723	-0.2411057	-0.40334433	0.08433398	-0.05084947	-0.47729552	0.001676435	0.30774432	-0.8044572	0.62033606	0.51892465	0.5626835	0.1902926	-0.72603893	0.49774545	0.4090825	-0.20770782	0.5174031	-0.5918141	0.10802445	-0.9998685	-0.31781387	0.6331813	0.14419582	0.1587181	0.11482065	0.34974402	-0.6886112	0.07448969	-0.26248023	0.24888724	0.3934425	0.22083047	-0.31162035	0.22701417	-0.98173475	0.023430025	0.16375251	-0.50058997	0.38014928	0.31069747	-0.5346761	0.42846176	0.63112336	-0.5833951	0.682821	-0.06788392	-0.5969789	0.06985825	-0.5882435	0.18986706	0.75822514	-0.5571845	-0.52002025	-0.32997167	0.6885842	-0.37055957	0.5267521	-0.41644028	-0.08040756	0.4353663	0.64424825	-0.78533775	-0.24951474	0.6831227	0.28767118	0.086520985	-0.44616696	0.62949044	0.08776492	0.010327634	0.18860538	0.64497113	0.09398643	0.22846262	0.5681133	0.27083886	-0.3658412	0.1207948	0.5168955	-0.09745922	0.12699878	0.9476293	-0.009830671	0.39067054	0.7565596	0.9017356	0.3852521	0.31732774	-0.010537007	0.5546819	0.10519111	0.9975387	-0.4900353	0.410164	-0.76549906	0.14457421	0.4346074	0.86009383	0.5034805	-0.8146337	0.15040866	0.9620919	0.72267085	-0.45727152	-0.087478414	0.34692627	0.99999684	-0.9965934	0.3841406	-0.27801338	-0.6540136	0.12895754	-0.39712915	-0.08635507	-0.26370528	-0.6408984	-0.7219972	-0.09253586	0.89568037	0.06549885	0.08206611	-0.1100309	0.15148675	0.29486585	0.43763593	-0.19771126	0.5879017	-0.10700237	-0.9998894	0.557372	-0.41632587	0.52286834	0.15547797	-0.8699655	-0.13265792	-0.2346151	0.22289175	-0.8050207	-0.038957186	0.002353343	0.2890684	0.022209102	-0.35896567	-0.26990178	0.32846153	0.93988645	-0.02071352	0.40504318	-0.3064066	0.3584954	-0.36895716	0.35377058	-0.3728238	0.8646463	0.5988905	-0.1906204	-0.2387221	0.54667217	-0.5262092	-0.7613565	-0.95930654	0.34013507	-0.1300796	0.33140773	-0.5387415	-0.14414394	-0.20917775	0.9996986	0.39709252	0.3720259	-0.38668546	-0.46730936	0.5279883	-0.45660642	-0.9420928	-0.5457296	-0.74368	-0.52568597	0.020270642	0.47392517	0.22008938	0.22893694	0.43312746	0.54889417	-0.037776966	-0.94906044	-0.56939864	-0.46482664	-0.6838178	0.18259372	-0.49266854	-0.34192255	-0.22521691	-0.5390219	0.01377883	0.18849897	0.25772738	-0.029692465	-0.38309598	0.40682024	-0.12908159	0.2854062	-0.3835271	0.23614544	0.050201967	-0.55839366	0.13557829	0.04068169	-0.17686538	-0.5843611	-0.12114044	0.16752647	0.6418962	0.57721037	-0.5070975	-0.15218943	-0.056689873	0.302858	0.3086748	-0.12059744	-0.4271426	0.68826634	0.16472822	0.10046296	-0.12392624	-0.3677305	0.9999998	0.04903379	-0.9875841	-0.1070541	0.9961053	-0.67809945	-0.41530728	-0.99985147	-0.40848812	-0.9058185	0.024960604	0.69492346	-0.08461166	0.65323186	-0.40380338	-0.21297653	-0.09824939	0.0332458	-0.53820497	-0.47689998	0.15860608	-0.4803587	-0.9999795	0.99999255	-0.6693269	0.07903939	-0.20447512	-0.09835041	-0.55669385	-0.27871746	0.022442387	-0.09936337	0.36918688	0.27888113	-0.8928949	-0.008218501	0.022346238	0.04633916	0.24346012	0.57257885	-0.47304577	0.3611181	-0.99979717	0.2992828	0.15982476	0.24446377	-0.7307083	-0.6228377	-0.9594982	0.43755007	0.38528857	0.284309	0.1139348	-0.94137377	-0.15257196	0.95951074	0.3782654	-0.29184774	-0.4880211	0.02769849	0.3995777	-0.14858204	-0.5531234	-0.39229754	-0.21302995	-0.41610575	-0.99953383	-0.13358088	0.23564026	-0.55085576	-0.5108249	-0.3205733	-0.29315388	0.68147385	-0.110852495	0.3167826	-0.13433672	0.99019176	-0.04142944	0.122808464	-0.479532	-0.09697486	-0.38096246	0.99915403	0.7670101	-0.05417044	0.16653073	0.10406508	-0.14666195	-0.2552812	-0.9802374	0.3553289	0.5854981	-0.43862918	-0.2339455	0.4691682
617	0	COCC(C)OCC(C)OC(C)CO	-0.007968953	-0.021719387	-0.10838183	-0.5416692	0.4118532	0.14352626	-0.2974461	0.160054	-0.45411342	-0.08721765	0.48931897	-0.37657654	0.13634962	0.20906985	0.77285236	-0.51141036	-0.33475074	0.29343128	0.15727702	-0.32703912	-0.5382053	-0.691651	0.21120879	0.43564898	0.31405813	0.013526556	-0.651908	0.4637326	0.23085211	0.21930905	-0.098891005	0.30725026	0.7791133	-0.5631964	0.28416026	0.24769244	-0.018432423	0.5166428	0.6690831	-0.6082845	-0.8732426	-0.584002	0.1823871	-0.02082678	-0.21687993	-0.9841995	-0.4801694	-0.14689744	0.6942777	0.59744763	0.3290893	-0.396319	-0.271728	-0.12650765	-0.511864	-0.12302229	0.4914388	0.92688507	-0.08066134	-0.096686065	-0.35074845	-0.098346524	-0.41071805	0.26801118	-0.8449353	-0.21225306	0.33119684	-0.56374395	-0.19794816	0.17158097	-0.56076556	-0.9980536	-0.081462346	0.8308019	0.06313569	-0.31892595	-0.6497775	0.56763583	0.14475363	-0.99937934	0.41434315	-0.37688765	-0.5938289	-0.14264649	-0.17817724	0.62466645	-0.59402746	-0.26148477	-0.055846013	0.39833236	-0.17188747	-0.13340186	-0.5194662	0.16614829	0.9926339	-0.055572826	0.33846384	-0.6579789	-0.26854256	-0.002139646	-0.05635288	-0.006671821	0.4647391	-0.002912407	0.66337174	-0.7117999	0.5397722	0.27116987	-0.77443033	-0.20209093	0.72971785	-0.56307465	0.15129353	0.060093272	0.5336015	0.24592109	0.718944	0.7654687	0.9988966	-0.011650668	0.40364897	-0.14615859	0.66061515	0.4609956	0.3005829	0.29327643	-0.34057477	0.001210909	-0.13657917	0.9811237	0.33433214	-0.816833	0.42257607	0.418258	0.087550946	-0.8488171	-0.1907261	-0.40974507	-0.091367714	0.15993512	0.9996471	-0.23684996	0.9786972	-0.16995156	-0.6050411	0.58986855	-0.1551804	-0.28733152	0.951825	0.027096841	0.79390967	-0.784332	-0.30757034	-0.13327502	0.24137573	0.17595965	0.1272853	0.9963959	-0.5465425	-0.63469106	-0.98267955	-0.35444698	0.20455585	0.13235201	-0.022619886	0.5348937	-0.15322584	0.31552893	-0.5845069	0.007566256	0.5144036	-0.6646906	0.28424895	0.18637326	-0.2947479	-0.9378389	-0.4590712	-0.14825776	-0.80618805	-0.44561225	-0.16059263	-0.6518991	0.023987396	0.17625715	-0.12189343	-0.09283636	0.37757006	-0.038093038	-0.2560245	0.4251032	-0.42578787	-0.000245508	-0.65158576	0.13213848	-0.33172268	0.061276224	-0.63920355	-0.73218536	-0.14463365	-0.48065028	0.051480345	-0.13150549	0.2811294	-0.27194098	0.3031289	-0.28911662	0.38274032	0.3422691	-0.37361416	-0.9961213	0.1472169	0.10805888	0.21350627	0.44267765	0.3799362	0.122114055	-0.46881992	-0.14622536	0.105733715	-0.11146094	0.27341312	0.3870825	0.7541243	-0.40898928	0.9424985	0.4373471	0.26923046	-0.5436295	0.07869324	0.16485919	0.059688795	0.3340811	-0.05526144	0.1417267	0.16006494	-0.41321513	-0.015677515	-0.060890805	-0.56790507	0.12972899	0.89121574	0.05973317	-0.7080613	0.1357875	-0.81032634	-0.12427697	0.2535212	0.5812416	-0.12863924	0.8373119	0.31531024	-0.99981946	0.006528459	0.12947203	0.12888527	0.44557148	-0.007890795	-0.25030494	0.226038	-0.47791705	-0.20739663	0.16438372	0.7239432	0.59729475	0.3881903	0.07311527	-0.28659108	0.7616796	-0.3232182	0.35917073	-0.055180497	0.9573679	0.23747566	0.36784405	-0.41759536	-0.7414588	-0.12098915	0.38165888	0.16699776	-0.29416108	0.18943292	0.99929225	-0.3301861	-0.056878388	-0.20669818	0.33821964	-0.07850269	-0.08375702	0.4158726	-0.7195674	0.39544454	0.9992621	-0.26553985	0.6530007	-0.13546167	-0.4023385	-0.9983265	-0.7841372	0.53352416	-0.43311986	-0.482324	-0.09154378	0.5870205	-0.7436353	-0.6522722	0.20951146	0.958526	-0.32151303	0.32392582	0.81473595	0.3527119	-0.062639095	0.35013485	0.003846619	0.5981646	0.0504174	-0.10714467	0.3252254	-0.97996604	-0.2973811	-0.23970811	-0.07014138	0.2452065	-0.109333076	0.4748408	0.557245	-0.25095397	0.25848714	-0.13151237	0.070310056	0.05388406	0.4859183	0.26332602	0.56618154	-0.6136833	-0.81831706	-0.48973122	-0.18741035	-0.3677702	0.082676716	-0.48808408	0.48885968	0.34419727	0.21619447	-0.23998049	-0.296286	-0.25671646	0.47807378	0.11507684	0.9168187	-0.98756695	0.014881277	0.21047035	0.185837	0.20043781	0.36076483	0.5160818	0.99948937	0.31168112	-0.23782837	-0.62179255	0.45051873	0.14944403	-0.07245423	0.40745345	-0.29222137	-0.2691448	0.29074833	0.61288565	-0.04535338	0.21866634	0.34669238	-0.5200598	0.5230547	-0.23682514	1	0.06863813	-0.44985834	0.06604407	-0.56417733	-0.5572352	0.14490451	0.5495335	0.3056743	-0.06989821	-0.75580794	0.54089016	-0.42494932	-0.39199805	-0.7085586	-0.15060481	0.6325109	-0.26458332	0.0655753	0.3279774	-0.93375933	-0.21508089	0.62090963	-0.40093112	0.46196234	-0.47351548	-0.3902975	-0.43941987	0.16149622	0.18706225	0.29656252	0.1010854	-0.7927828	-0.47816446	0.5065108	-0.8119991	-0.054990374	0.09685577	-0.26079512	0.2877502	-0.47303826	0.99991643	-0.28681603	-0.8740017	-0.48496354	0.9976388	-0.17663151	0.6858443	-0.9983074	0.5803375	-0.43517303	-0.68466944	-0.3523164	-0.13534048	-0.78233427	-0.4127123	0.68609816	-0.3931259	-0.22312923	-0.5913883	-0.33849695	0.33433044	0.19951794	-0.9999077	-1.0000001	-0.9873677	-0.59681165	0.36020845	0.7011884	-0.42267662	-0.33513394	0.6817891	0.117401965	0.49592483	0.4941979	-0.041595902	-0.44966227	0.15700807	0.70093703	0.23810163	0.16867496	-0.7429668	-0.9685111	-0.99986064	0.32527652	-0.25417706	-0.11559416	0.3177142	-0.4230332	-0.8044248	0.5385908	-0.13408107	-0.28572106	0.5979494	-0.5441673	0.05410548	-0.8809267	0.5508515	0.09650641	-0.36179066	0.7479093	0.50652176	0.12309008	0.22093093	0.5973074	0.35838377	0.71329695	-0.15599445	0.41232753	-0.1844413	0.18254232	0.2265395	-0.6403222	0.6472954	0.14909266	-0.3954983	-0.18368	-0.12903672	-0.15682322	0.05686854	-0.24272813	0.73770154	0.42287156	0.014042673	0.9999669	-0.15612462	0.1908708	0.26411733	-0.10487822	-0.16508591	0.31768548	-0.79265815	-0.30325726	-0.022342378	-0.6247542	0.24523701	0.29777512
618	1	O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl	0.750147	-0.6101765	-0.40901622	-0.17317389	-0.13466538	0.5909903	-0.9713173	-0.033959433	0.88885725	-0.7288855	0.17059287	0.43770665	-0.29151645	0.12247341	0.6414913	-0.7933938	-0.65084773	0.4553988	0.64153755	-0.003119049	0.7712025	0.6687483	-0.27471742	0.30823135	-0.5962293	-0.25363982	-0.30717367	-0.30202615	0.89528173	-0.89395726	0.5235084	-0.56232655	-0.27325666	-0.53529847	0.73187816	0.12506102	-0.19940287	0.36381948	0.9988382	-0.3982742	0.72725415	0.52473253	-0.09897246	0.46122727	-0.49928096	-0.6913128	-0.47435504	-0.31323674	0.9998407	-0.68087953	-0.4230511	-0.38338435	0.401332	-0.5182226	-0.8046894	0.5355761	0.09489204	-0.34755084	-0.7375697	0.6696312	-0.5675196	0.28712893	0.079385266	-0.1865454	-0.59439546	0.76547754	-0.68630296	0.28217947	-0.3566715	-0.4003776	-0.5254342	-0.07782308	-0.52078414	0.95024866	0.7896347	-0.96730447	-0.4690793	-0.2179779	-0.3055078	-0.9996246	0.26199275	-0.53250766	0.07299362	0.05592244	0.1432561	-0.72047687	-0.4214485	0.4370565	0.25035712	0.5444733	0.63178414	0.051877692	0.62065655	-0.41577128	0.99674255	-0.20235924	-0.16273166	0.49475187	-0.37701982	-0.9164308	0.5878037	0.4589872	-0.32901976	-0.42858097	-0.98336864	-0.57124233	0.2883419	0.55415213	0.98712015	-0.72961056	-0.62198174	0.06721292	-0.11100782	0.5664307	0.46072546	-0.03132802	-0.79106814	0.83795196	0.9962496	-0.45517635	0.25299338	-0.37523234	0.70381266	0.3220469	0.70213425	-0.022274043	0.6027811	0.23111036	0.5379109	0.99967355	0.74544144	-0.43952233	0.8421462	0.27638677	0.769446	-0.91751134	0.22215067	-0.5013912	-0.7232944	-0.22061336	0.99833125	0.39950454	0.94874966	-0.83461404	0.17605883	-0.11316806	0.122197	0.71323997	-0.9062119	-0.29504958	-0.52809393	-0.48229972	0.333871	0.33480802	-0.33290866	0.4523509	-0.62223876	0.61935234	-0.9181952	-0.9698208	-0.53194535	-0.1808984	-0.18218319	0.5357489	0.6201363	-0.122041784	-0.08345654	-0.20063086	-0.56137407	-0.66879886	-0.4436883	-0.32323295	-0.35827976	-0.52611536	-0.14743985	-0.8910858	-0.6258278	0.5666738	-0.38341627	-0.01617707	0.36572942	-0.6778115	-0.824379	0.2049251	0.7875709	-0.786249	-0.34012625	-0.017968213	-0.26471245	-0.14365721	0.4691175	-0.7079639	-0.1716812	-0.5718976	-0.87536794	-0.001670981	-0.31408116	-0.5810469	0.88269347	0.639584	0.25232708	0.21254006	-0.73997957	-0.55925316	-0.08040241	-0.64984643	0.4202359	0.28592217	-0.47530758	-0.9999266	-0.3398549	0.10413379	0.38222688	0.39518273	-0.5003698	-0.5148491	-0.8506424	-0.50568044	-0.44678423	-0.6518044	0.555526	0.162374	-0.050713163	0.10916925	-0.9953301	0.109264776	-0.24203843	0.047240645	0.6942031	0.28106213	-0.92667115	0.5029539	-0.471246	-0.24199556	0.1634761	-0.23294204	-0.4509702	-0.15665579	-0.58603764	-0.44450006	0.9086614	-0.030482555	-0.3173782	-0.011159766	-0.90737224	-0.7186777	0.38850316	-0.7327328	0.2699777	0.79500914	0.84253	-0.99977386	-0.3740932	0.5324999	0.006760994	-0.667837	0.5169583	-0.24715078	-0.4024304	-0.53905714	-0.03996189	0.6745614	0.8634237	0.69184756	-0.37787798	-0.47514057	-0.26969653	0.056975678	0.9394522	0.62230307	0.4455638	0.9999439	-0.31595203	0.066862956	0.67234325	0.8378814	0.6253393	-0.093996055	-0.24634099	0.3954995	0.6277326	0.9898373	-0.19631715	-0.007419196	-0.79548705	0.03940358	0.43165302	0.7824606	0.17851698	-0.818672	0.6251254	0.9804305	0.3404625	0.7347598	-0.14939225	-0.9257004	-0.9940619	-0.98950636	0.4042257	0.43794012	0.33522347	-0.35578257	0.19298458	0.57317674	-0.5104124	0.34930688	-0.44408882	0.7330443	0.49464673	0.10100795	-0.35301295	-0.082449265	0.4276568	0.057594746	0.4503897	-0.6083525	-0.18761249	0.23454589	-0.99975824	0.1310175	-0.29129776	-0.4495303	-0.3955483	-0.1237837	0.71957666	-0.9109484	-0.10283109	-0.28397655	0.12569837	0.07255146	0.14414313	-0.09716342	-0.7149026	0.20409556	-0.27017906	0.909883	0.21978524	0.36966038	-0.3316692	0.51763725	-0.37854198	-0.9243582	-0.71355027	0.18739656	0.46183655	-0.10149514	-0.8928325	0.67686456	0.105239205	-0.43772134	-0.7549111	0.035483856	0.54626864	0.2829395	0.03692037	-0.027105711	-0.06428812	0.99995947	0.1202097	0.8958689	-0.78119403	-0.7527848	0.89668304	-0.10562221	-0.583735	-0.8143382	0.49573016	0.81500614	0.4183952	0.7156324	0.67909116	0.6751779	0.24521229	0.30525693	0.04653701	1	-0.41861987	0.28648236	0.28408837	0.55654687	-0.15398577	0.8416484	-0.060651753	0.027712015	-0.1745369	-0.26038495	0.19902366	-0.2302981	-0.7749555	-0.39861825	-0.34101203	0.89479584	-0.09172221	0.58760715	0.08638637	-0.9962702	0.18423316	-0.44911972	0.31926048	-0.87457764	0.10610385	-0.21098268	-0.20611078	0.7326635	-0.2893742	-0.0726776	0.44943246	-0.17321992	-0.76991427	-0.25437	0.034088504	0.78919965	0.58168185	0.5079967	0.29492474	-0.4435386	0.9999985	0.41055158	-0.6841827	0.81404346	0.9861785	-0.79156107	-0.04831096	-0.9998808	0.2591758	-0.5067876	-0.21444716	-0.18805861	-0.2501181	0.32603577	-0.15379998	-0.7445266	-0.57001024	0.03379871	0.19943663	0.40863183	0.46810058	0.10040222	-0.9999779	-0.99999964	-0.96885157	-0.022611657	-0.28311226	-0.078428835	-0.41917345	-0.56386775	-0.01399296	0.25985593	0.48357624	0.823525	-0.10645053	0.34888515	-0.6930771	0.36430645	0.31356227	0.009436598	-0.7552453	-0.027896056	-0.9992092	0.47237167	0.2402118	-0.1312594	-0.252569	0.03433318	-0.8695656	0.18740125	0.121164165	-0.04803102	0.03979261	-0.92432326	-0.13371201	-0.9147088	-0.26347408	-0.97516036	-0.7759149	0.71368283	-0.040833335	0.4628566	-0.65717417	0.5792888	-0.46238825	-0.38263685	-0.9999865	0.41180873	0.52859205	-0.7617665	-0.6468653	-0.017696803	-0.017354902	0.917558	0.000790439	0.78644764	0.29123306	0.97616273	-0.70737696	-0.7552966	0.46654153	0.34658888	-0.36239788	0.9991815	0.7663738	-0.8636969	0.18298385	-0.91660994	-0.5034256	0.34472382	-0.998384	-0.3926803	0.589943	0.113374084	-0.710829	0.73487
619	1	O=c1n(CC2CO2)c(=O)n(CC2CO2)c(=O)n1CC1CO1	0.9792152	-0.31403977	0.3477603	-0.44992116	0.222962	-0.16469513	0.2342429	-0.6881824	0.72104496	0.68244165	0.7890236	-0.51489335	-0.17298433	0.5738572	-0.14815845	0.73404807	0.29601768	-0.13682245	0.46054173	-0.3406782	-0.17263609	0.3711416	-0.47170866	0.38929012	-0.5631347	-0.5931528	0.19517083	-0.15101838	-0.10736011	0.20776197	-0.38557538	-0.66269934	0.10066682	-0.104438156	0.27306396	0.105316296	-0.065460786	-0.5741697	0.9980452	0.6553842	0.22396016	-0.10828651	-0.10868398	-0.89602554	-0.8702536	-0.485258	0.48522207	0.4789391	0.9177603	-0.15691735	-0.79383963	0.32038337	-0.4200866	0.23199423	0.69238454	-0.45946297	0.39964554	-0.53542405	-0.918633	0.07688972	-0.31640753	0.4868029	-0.46518764	0.35326493	-0.100367814	0.04289567	-0.05127599	0.109194174	-0.47596753	-0.5019943	-0.7579389	-0.9999894	0.69731355	0.40647015	-0.81256086	0.4227489	0.4906582	0.19489728	0.70189446	-0.9998975	0.47134125	0.6997044	-0.93755543	0.2843654	0.16424115	0.9708699	0.15625712	-0.69873595	-0.6031388	0.77407384	0.7357433	-0.69786483	0.7995678	-0.09953055	0.999871	0.53962624	-0.9874799	-0.38194618	-0.17416707	0.39249295	-0.5570617	0.68316555	-0.65563995	0.9383087	-0.9853738	-0.9834878	0.21277249	-0.06920201	0.99197674	0.7483976	-0.7575374	0.6212669	0.861013	0.31960374	-0.8614712	0.7843658	-0.49697405	-0.57498306	0.9965033	-0.44542426	0.81320816	-0.38922352	-0.586704	-0.18157439	0.5583257	0.56880265	0.7274032	0.4804112	0.6660179	-0.5478697	-0.003988148	-0.5493939	0.09160461	0.71426046	-0.6647534	-0.869498	-0.3882542	-0.8319005	0.42107704	-0.77447	-0.99999785	-0.33314806	-0.38700283	-0.3487531	-0.28445596	-0.2446543	0.49946687	-0.80918336	-0.9069906	0.36202577	0.20189506	-0.890839	-0.6268192	-0.5785442	0.06297765	-0.1526516	0.4513895	0.445757	-0.088516995	-0.99121773	-0.93258244	-0.15161714	0.36346817	-0.098603144	0.001061506	0.68992937	0.4483425	0.74176174	0.51618344	-0.48493296	-0.4014939	0.40281996	-0.14610134	-0.1290572	-0.5883348	0.9243397	0.57204425	0.2033614	-0.32507157	-0.75652957	-0.45112225	-0.99808306	-0.08179348	-0.6673923	0.7775931	-0.09730211	-0.04951922	0.335978	-0.004956047	0.680599	-0.005943444	0.024612023	0.6829895	-0.6603939	0.34460002	-0.6002193	-0.20634136	-0.8004026	0.2687139	0.24603479	-0.22554253	0.2856275	-0.53187704	-0.4209867	0.47041205	-0.49722582	-0.1088518	0.78618634	0.21499793	-0.9998212	-0.22248536	-0.06263446	0.035390604	-0.18559553	0.20577362	0.052018296	0.6254387	-0.31843197	0.51147544	0.14784601	-0.6791754	-0.45017266	0.9880475	0.75622153	-0.93500894	-0.51281863	0.17692733	-0.041376267	0.7829411	-0.21947506	-0.55874157	0.89968246	0.030193157	0.5495863	-0.48341808	-0.8540843	-0.71470076	-0.2696318	-0.035446577	0.17792782	0.89271855	-0.108694926	-0.45643583	0.19773926	-0.8217481	0.52787894	-0.18550818	0.6920285	0.19340697	0.59205437	-0.001401339	-0.17813046	0.43385062	-0.6759977	0.5114363	-0.466702	0.5852242	0.14953661	0.4517823	-0.03639977	0.46592808	-0.32011917	0.16303955	0.7694432	-0.48615915	-0.19688746	-0.45878282	0.49824694	0.9361222	-0.19585848	0.40928537	0.998787	0.72357523	0.27113506	0.38437507	0.8465237	0.7073863	-0.40354347	-0.72903055	0.3656845	0.24975261	0.9978804	-0.1731892	-0.51919824	0.5864764	-0.46747336	0.7839592	0.53613955	0.7970983	-0.7825178	0.7236872	0.97335654	-0.24538648	0.3769584	0.7739067	-0.39987287	0.9999998	0.757962	0.38237602	-0.5246679	-0.31930032	0.76945275	0.81373245	0.74568146	-0.29392365	0.8223617	-0.81909233	-0.3568298	0.4293335	0.10266446	-0.0789255	-0.7169313	0.7960473	-0.43236667	-0.89032817	-0.60619545	0.41014007	-0.39645666	-0.99993163	0.24641405	0.46151054	-0.16651705	0.85315955	0.70748067	0.90343493	-0.7287425	-0.97039616	0.9732764	-0.80834717	-0.52629215	0.17174985	-0.19785501	-0.4319385	-0.6273466	0.23142312	-0.9961297	-0.17231053	-0.40275967	-0.31690684	-0.44977093	-0.3862193	-0.52016693	0.3022326	-0.2938193	-0.002818636	-0.4891395	-0.6151723	-0.320124	0.34431872	-0.4937357	-0.8451194	-0.48622733	0.8052995	0.27148652	-0.6545149	-0.7344861	-0.66826636	0.99808675	-0.62787193	0.90637237	0.32653478	-0.05247731	0.39480084	0.55908173	0.8807255	-0.8366065	-0.5996226	0.702447	0.75394076	0.009093092	0.51332086	-0.5749833	0.03981653	-0.69338036	0.3000603	-0.9999961	-0.5894354	-0.38913685	-0.41978997	0.7918424	-0.07397201	-0.6723164	0.098854646	0.15102233	0.08220767	-0.13342953	-0.41978833	-0.5230879	-0.2737237	0.3783167	0.35405633	0.61587965	0.4578583	-0.042456143	-0.59441674	-0.53066474	0.66702485	0.90569997	0.5910036	0.73343426	0.99212635	-0.26914006	0.15789428	0.7060723	-0.5266861	-0.16483693	-0.4250387	-0.32459855	0.0709544	-0.30447695	-0.5323949	0.3818212	-0.079024166	0.60899186	0.45906636	0.042524416	0.9999998	0.5950483	-0.9823868	0.29863426	0.9968835	-0.88862747	0.3024759	-0.9999514	-0.5589486	-0.88458335	-0.5987748	-0.7267925	0.32343507	-0.61719584	-0.04643396	0.9871725	0.13364854	-0.6042182	-0.8525284	-0.64058405	-0.01017902	-0.14781821	-0.99999255	1	-0.8014242	-0.35964853	0.33696336	0.79560393	0.012083542	0.7670179	-0.036571454	-0.6786058	0.36198333	0.07183306	0.35558933	-0.38533357	-0.7041343	0.36381534	-0.3615755	0.42603117	-0.5650022	-0.32696763	-0.9999473	0.015191915	-0.8124623	-0.058943406	-0.65998137	-0.41912678	0.96009654	0.68000126	0.7207006	0.23613605	-0.22641324	-0.35441524	-0.56259686	0.14903337	-0.33307838	0.3570355	-0.003152421	-0.1991472	0.6613791	0.95756936	0.48856282	-0.7011331	0.3643975	0.8101226	-0.93634975	0.9583594	0.30084512	-0.7582793	0.6223893	0.481521	0.70575327	-0.41590285	0.02326161	0.004786104	-0.3076744	0.9845789	-0.08534875	-0.37016892	-0.16309538	0.8231955	-0.7483372	0.99914974	-0.2645294	-0.30235597	-0.85581154	-0.62440413	0.57526106	-0.28457603	-0.99712574	-0.4075017	0.5782695	0.14418423	0.24551153	0.52966577
620	0	CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1	-0.23431136	-0.75325954	0.5638861	0.4271786	0.7451189	-0.56167537	0.23044404	0.34317818	0.33080578	-0.6658388	-0.2408259	-0.789746	-0.039266616	-0.3352533	-0.052403945	-0.54253477	0.5084247	-0.5240265	0.64475995	0.62166977	0.14741005	-0.37928367	-0.004910068	-0.26993418	-0.33795425	-0.47394007	0.2939194	0.5648172	0.8167846	-0.35888678	0.5467496	-0.32380277	0.7243934	0.77322537	-0.49100882	0.58939534	0.53891236	-0.06497602	0.997104	-0.7715668	-0.46310818	-0.088396415	0.5940177	-0.12506668	0.14049949	-0.48196733	-0.22817706	0.48758495	0.9067893	0.1262183	0.08334714	-0.09032881	0.28272516	-0.23161417	-0.5138526	-0.06144432	-0.39772928	-0.038644843	0.005051383	0.28210744	-0.048964906	0.64222324	0.30102178	-0.51396614	0.110343285	-0.29580536	0.30564702	0.70451087	-0.10737382	0.79899806	-0.6029882	-0.83898956	0.1351494	0.2294948	-0.2890231	0.1576365	0.90062	-0.3349096	-0.6432271	-0.9990808	-0.067285724	0.45132136	-0.8872115	-0.48331854	0.1244937	-0.86321366	0.16262563	-0.14934815	-0.6798768	-0.5066255	0.42076522	0.36543608	0.8635406	0.08986258	0.99250704	-0.6735562	0.6650654	0.29136068	0.478668	-0.06554483	0.3838202	0.05195148	-0.46459773	0.9698503	-0.98903894	-0.5967515	0.36838794	0.75412685	-0.8236176	-0.52963054	0.7330921	-0.06986624	-0.29463077	-0.47303167	-0.5510063	0.5349238	-0.82205266	-0.5830483	0.98847514	-0.040590223	-0.46218184	-0.07727179	0.5401288	0.2736952	-0.36040032	-0.6493578	-0.13201244	-0.70722663	-0.40518326	0.9997835	0.5332151	0.2553864	0.10604731	-0.2012329	0.5271495	-0.94971085	0.4868897	0.62582237	0.049173404	-0.43150494	-0.9999995	-0.4697826	0.8791421	0.057643477	0.463634	0.53518367	0.46197364	0.55752563	-0.8485035	-0.28244328	0.4201287	-0.9029624	0.732546	0.49741825	0.16480888	-0.5334388	0.14084186	0.30288753	-0.8330028	-0.28535858	-0.8239986	0.083699904	0.26547697	0.09127605	0.4741586	-0.35273647	0.05250499	0.32360125	-0.193979	-0.32770893	0.16919978	0.21166033	-0.24267264	-0.5133596	-0.35855958	-0.5329009	0.095159754	0.3071901	-0.14444424	-0.23834243	0.54138154	-0.3577735	-0.078238234	0.5398165	0.598636	0.24174976	0.15205747	-0.033616476	-0.15882015	-0.25792986	-0.681327	-0.59994274	-0.57837504	0.16125214	0.41550145	0.4520941	0.3060367	-0.391487	-0.24384536	-0.2161507	-0.11080903	-0.32995945	0.62442714	-0.2276589	-0.61283183	0.25159866	-0.2431459	-0.22090828	-0.11143115	-0.9998105	-0.040751126	0.81495845	-0.25292498	-0.64207864	0.3151986	0.25968847	-0.37225384	0.655383	0.175484	0.1564444	-0.38445035	-0.310069	0.4371949	-0.859153	0.99116224	0.4431858	-0.16912559	-0.28538054	0.41873384	0.2759024	-0.5018985	-0.3905795	0.27474824	0.6437981	-0.5884881	-0.6695074	0.41085517	-0.66885245	-0.04637661	-0.2803873	0.9107442	0.68426305	0.462773	0.12431663	-0.41270724	0.40291676	-0.58283937	0.09458531	0.3650391	-0.35673416	-0.29278865	-0.6814851	0.64016604	0.05024526	0.64753324	-0.40963688	0.11114808	-0.26186112	0.61591256	-0.32118556	-0.3582972	0.81789243	-0.66282266	-0.4426099	0.14740431	0.357062	0.00062079	-0.4975344	0.49667993	0.1657867	-0.44151574	0.99843246	-0.5519744	0.51309925	-0.11904244	0.42180282	0.515062	-0.72112626	-0.16070215	-0.71783066	0.7413141	0.9975623	0.11044231	0.33349696	0.2918814	0.223498	0.25420287	0.6439169	0.46364614	-0.606038	-0.049065012	0.9560262	-0.10337186	0.13123184	0.28661454	0.10356575	0.9999999	-0.9901351	0.16338404	-0.10330155	0.227665	0.06977913	-0.4261262	0.15935597	0.6502092	-0.102026865	-0.910294	0.3819074	0.14728549	-0.07669022	0.76862705	0.1265889	-0.45800567	-0.5697539	0.6717319	0.15297928	0.7455515	0.19307296	-0.98048896	0.58715993	-0.4667663	-0.5631239	0.5463933	-0.17164658	-0.002884995	0.26873103	-0.079417266	-0.5187284	-0.30562562	0.35885227	-0.5473945	0.38755542	-0.08803138	0.035845716	0.5557377	0.6128971	0.1849245	0.005642342	-0.0884995	-0.26034003	-0.09102755	-0.86746067	0.3454577	0.32468188	0.06522851	0.5675285	-0.772515	-0.010466108	-0.24940093	-0.62517995	-0.92257226	-0.56115305	-0.19698432	-0.66992396	-0.4858965	-0.07626517	-0.046393722	0.9995139	-0.55168515	0.11770603	-0.323632	-0.35094163	-0.78021973	0.7433754	-0.71253663	-0.68078196	0.638985	-0.17193784	0.5444701	-0.48598516	-0.49848834	0.157411	0.59844846	-0.53708863	-0.063203365	-0.9960765	0.6533144	-0.21131556	0.042787783	-0.3185912	-0.44494578	0.005766909	-0.5173842	-0.5351722	-0.29817164	-0.49836716	-0.3292921	0.27292204	-0.07641405	-0.15562607	-0.12843592	0.7258185	-0.15752745	0.123334356	0.12933636	-0.3608144	-0.34975493	-0.09497901	0.38533473	-0.43082076	0.23425609	0.13718617	-0.14021416	0.60718185	-0.13004607	-0.0692221	-0.83544046	-0.074811675	-0.5673941	0.27791578	0.26626092	-0.14099877	0.27958906	0.15548883	-0.15746087	-0.1797798	0.99994886	-0.014930336	-0.9212078	-0.90027964	0.99798167	-0.54729456	-0.474059	-0.9990206	-0.06594669	-0.39999574	-0.71443415	0.055066567	-0.45619127	-0.38677686	-0.065567635	-0.47571042	-0.5054976	-0.31808248	0.035922494	-0.51348543	0.2650739	-0.81378376	-0.99996275	0.9999999	-0.47505903	-0.17824736	0.82216257	0.39276865	0.6886673	0.019997329	-0.18200296	-0.1640401	-0.67356426	0.623088	-0.140413	-0.3677044	-0.5507337	0.38946816	0.37840974	0.44267306	-0.12320079	0.47006157	-0.9997981	0.21537244	0.25103217	0.48152566	0.22455022	0.15453602	-0.8795913	0.18564962	-0.6558158	0.10895966	0.10747732	0.40311143	0.5148573	0.921455	-0.42247018	0.7093769	-0.0259212	0.20081286	0.8114768	-0.41422376	-0.20327328	-0.7122347	0.40878886	-0.5993807	-0.8593874	0.52540207	-0.036066066	0.28044885	0.55716604	-0.06511218	0.289086	-0.5748274	-0.343246	0.012153626	-0.2512154	0.9918829	0.06825063	-0.050279953	-0.34549996	-0.103917	-0.21125442	0.99995935	0.4971682	0.056412347	0.31548563	-0.11938222	0.08067887	0.04934525	-0.9972607	-0.0497465	0.6441749	-0.5563872	-0.21338168	0.22455162
621	1	Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2	0.7813283	0.4255668	0.82361245	-0.56063944	0.047430623	-0.03125681	-0.24483614	0.033620812	0.42205083	0.81963885	-0.16266751	0.13335466	0.7322378	-0.14608222	-0.55555165	-0.57550013	-0.27832323	-0.606559	0.4216757	-0.85450983	0.02851305	0.06403767	-0.41596273	-0.18433088	0.7567803	-0.12205833	-0.038881354	0.37556782	-0.035392206	0.060503643	-0.26193	0.20976388	0.5768279	-0.09416771	0.09004736	0.30782074	0.33143663	-0.07588351	0.99966234	0.1368451	-0.031157883	0.27157664	-0.12997927	0.45429912	0.51526046	0.9519196	-0.085399	-0.6563595	0.788535	-0.6208374	0.6851806	0.3402199	0.614157	0.5658539	0.16856222	0.04987038	0.40675017	-0.94257635	0.6623342	-0.21582516	-0.33409455	-0.6005379	-0.863153	0.800253	-0.027666809	0.48486397	0.82865596	0.4024776	0.3426742	0.49611703	-0.8716076	-0.7102903	-0.7829825	0.21415505	0.40374234	0.51800567	0.64832056	-0.87877625	0.52543104	-0.99922323	-0.8108179	-0.4468168	-0.9627332	-0.11715318	-0.23806337	-0.9529148	-0.5126525	-0.68833876	-0.033998713	-0.062547795	0.23180135	-0.26751414	-0.27024773	0.041475255	0.99841183	-0.12428206	0.32822818	0.000166734	0.23149136	0.46723288	0.014577661	0.35772955	0.3555279	0.9894454	-0.9998462	-0.7528801	0.2126431	-0.4073392	-0.99897915	-0.28405225	0.12110474	0.49841776	0.5492455	0.2091555	0.61385083	0.82854486	0.54150665	0.10014074	0.25464964	0.6775572	0.632992	0.116359934	-0.1328528	0.25267136	-0.00751207	-0.75014716	0.04196384	-0.45045468	0.41288564	0.99944067	-0.81094575	0.341499	-0.04561319	0.6252899	0.060213163	-0.9653032	-0.056857146	0.8013319	-0.12091131	-0.33252075	-0.99999976	0.20872848	-0.10066695	-0.25659853	-0.7843649	0.84371513	0.27498507	0.76423043	-0.99948174	-0.31884205	0.71455127	-0.7503303	0.23840131	-0.27444255	0.59482783	-0.46445233	-0.09698251	-0.992192	-0.6033754	0.26022577	0.5117224	-0.81416804	0.5187985	0.39268363	0.7505381	-0.31110656	0.1518923	-0.18843558	0.44837227	0.30635765	-0.5222418	-0.21739137	-0.08995381	0.5924887	-0.27754924	-0.922787	0.143373	-0.31781763	-0.039894134	0.098336	-0.054475278	-0.92497516	-0.0253708	0.3923401	0.9700037	0.44367003	0.48274374	0.77870625	0.42721966	0.02232513	-0.51125336	-0.8087174	-0.3771125	0.007778606	-0.24821424	-0.73649263	-0.38086224	-0.78992045	-0.7400102	-0.45856315	0.3688331	0.37234482	-0.16246958	-0.5389564	0.6543087	-0.21410115	-0.11673692	-0.33369574	-0.6674296	-0.9999037	-0.33664036	0.7480557	-0.25520262	-0.17621267	0.7184926	-0.5083853	0.5148837	0.3139745	-0.8710739	-0.021055847	-0.23891881	-0.64714247	0.22562073	0.10390698	0.9718973	-0.37514085	0.11446447	0.16066381	0.35672742	0.17647909	-0.019524548	-0.18878435	-0.26609212	0.40195805	-0.38989216	-0.40372494	0.008325035	0.32021314	-0.77510256	0.6158026	0.765473	0.22549039	-0.124751076	0.0016158	-0.22921292	0.011599828	0.85778135	-0.35329136	-0.45340797	0.18143047	0.4575843	-0.0570523	-0.6909249	0.34899634	-0.19861957	0.6761464	0.2006898	0.052500553	0.20741574	0.4478281	-0.07995455	0.64100707	-0.52505493	-0.16324896	-0.32513645	-0.13158298	0.6550123	0.26081398	-0.07587359	0.19032867	-0.6510359	0.999814	0.23022196	-0.18561172	-0.42834127	-0.0880628	0.17423359	0.06701403	0.63536966	-0.75427765	0.4983783	0.8255613	-0.079252996	0.7450637	-0.41337317	0.28341103	-0.26045153	0.5114964	-0.9855785	0.009172062	-0.54069924	-0.8152467	0.6003159	-0.6336477	-0.42966452	0.33503655	0.99999994	-0.9584999	0.8136254	0.49157745	0.101582214	-0.67424285	0.010557966	-0.2498744	-0.18692458	-0.94216543	-0.9996162	0.10241806	0.64818406	0.55889326	-0.06104294	-0.051169053	0.47224557	-0.1816285	-0.15882227	-0.017068325	0.71080333	0.3096738	0.913869	0.36634913	0.074267246	-0.20696859	-0.15011692	-0.3948347	0.30293164	0.34701398	-0.7436742	-0.11431834	-0.7724829	-0.2660683	0.5895866	0.38202387	-0.10120458	0.25594535	-0.6853858	0.64579624	0.49812427	0.5990176	-0.34823194	-0.32080674	-0.05508868	-0.67522544	0.63646466	-0.4032473	-0.6373447	-0.08808885	-0.591825	0.014181286	0.6100267	-0.9914436	0.30578426	0.16050445	-0.17682631	0.24096128	-0.31551108	0.55160683	0.27848065	0.9988575	-0.5976785	-0.2206263	-0.37880743	0.28811547	0.05549883	-0.5189349	-0.7806918	-0.40235004	0.3355161	0.56807584	0.16882882	0.7259741	0.22926953	0.679291	0.2394077	-0.8245473	0.16946211	-0.99999964	0.15081152	-0.85977674	0.14155424	-0.44951186	0.021148602	-0.7694808	0.4756748	0.107401	0.025904777	-0.5118644	-0.6255841	-0.05149048	-0.16300116	-0.2517218	-0.04486433	-0.34722948	-0.079550296	0.30906835	0.042456347	0.2706698	0.3628173	0.24967285	-0.78374803	-0.5160738	0.9521888	0.5432384	-0.5067526	-0.22097003	-0.4945761	0.2687265	0.5402068	-0.5639689	0.016745407	0.2518047	-0.5261177	-0.24502039	0.073983096	-0.5129413	-0.5781565	-0.45074442	0.9165423	0.46829107	-0.9927437	-0.19736925	0.9986523	0.20947824	0.71409357	-0.9973132	-0.27828783	-0.92171174	-0.6376043	-0.3015521	-0.506838	-0.24872811	0.04489928	-0.52733195	-0.20895879	-0.6378503	0.2399156	-0.29568583	0.43851584	0.003520042	-0.9994135	1	0.9253165	-0.40429127	-0.14496982	0.73273736	0.26898918	-0.068785764	0.65258986	0.17990333	-0.1002876	-0.72144264	-0.5791938	-0.47047666	0.20460099	0.3193955	-0.4090253	-0.4605689	-0.62423044	0.98779804	-0.99096423	-0.3719037	-0.43914026	-0.4132476	0.37014493	-0.83031344	-0.32298163	0.69128454	-0.22587454	0.31541926	-0.5490588	0.5075312	-0.8239511	0.9843756	0.40160057	0.05521094	-0.07594019	0.29736647	-0.17762358	-0.093584955	0.2346821	-0.53615725	-0.039785318	0.25825736	-0.98690754	0.5327604	-0.58497864	0.6032453	-0.18843798	-0.29609406	0.5982264	-0.3152667	-0.105613746	-0.25602967	0.19782823	0.9996535	0.46929044	0.12820162	0.38261616	0.22647941	-0.51656723	0.9999719	0.32688606	-0.34118012	0.023266628	0.14149572	0.8267383	0.38433087	-0.9995755	-0.11044416	0.6782908	0.43947884	0.51125824	-0.66537637
622	0	Cc1c(-c2cccnc2)c2ccccc2n1CCCCC(=O)O	-0.5999096	-0.03231306	-0.056452874	-0.39264223	0.5348501	0.40403596	0.416388	-0.18130821	0.74093205	0.19318214	-0.78763956	0.32751873	0.40814257	-0.07628765	-0.36256295	0.73868424	-0.17233805	-0.33693892	-0.06894227	0.69514734	0.53782654	-0.232178	0.11117359	-0.017161567	0.5919719	-0.3601887	0.23598203	0.39603612	0.19745989	0.6355309	0.30666354	0.114916906	0.18104073	0.12022453	-0.080993935	-0.1612818	-0.1401891	-0.014359096	0.9977824	-0.79237163	-0.87401134	-0.74300104	-0.5031162	0.25189838	-0.12269736	-0.6722972	0.17723808	0.6368241	0.7644584	-0.28634813	0.22481108	0.24956337	0.05071253	-0.23393087	-0.7976969	0.053758953	0.6025461	-0.0547677	-0.5862486	0.34424788	-0.53050053	0.6871649	0.49375856	-0.49526027	-0.09119285	0.11601058	0.20303127	-0.09756085	0.49434465	0.8000977	-0.6167005	-0.7447818	-0.20782408	-0.76233447	0.33841136	0.041427948	0.49548063	0.27009782	-0.036489367	-0.9997653	-0.119061254	-0.65506285	-0.9163747	0.001129329	-0.007299069	-0.89544654	0.11430012	0.80472535	-0.7391036	0.18200697	0.32510465	-0.8046327	0.03748476	0.4513379	0.996918	-0.031167641	0.6333574	-0.07433222	0.2666754	-0.23712559	-0.11769935	0.18605785	-0.6326828	0.903138	-0.9848479	-0.3915671	-0.28475302	0.24333267	-0.8383715	0.4156183	-0.013864139	-0.17182149	0.7370245	-0.10183386	-0.001356169	0.1648111	-0.46896476	-0.07350842	0.9876845	-0.011681535	0.22944775	-0.6925084	0.26963913	-0.19776125	-0.60664463	0.49694273	0.26815632	0.7172657	-0.006791825	0.9998003	-0.17169784	0.26121968	0.5141508	-0.12871337	0.5750188	-0.95287776	-0.27921575	0.11537007	-0.16313311	-0.49921548	-0.99998635	0.052497093	0.82348514	-0.081333645	-0.37700167	0.12840743	0.28733844	-0.14830473	-0.7283975	0.4274843	-0.4495613	-0.54470897	0.6431381	0.5865025	-0.30001447	-0.054451123	-0.19932848	0.28376567	-0.57459384	-0.78815866	-0.85376734	0.23710144	-0.49546316	-0.087315395	0.36005294	0.34152642	0.3238238	-0.46989134	0.15042105	0.28114167	-0.35071063	-0.49351072	-0.051195897	0.6038781	0.4026805	-0.8439808	-0.26690474	0.64533776	-0.093893	-0.09272603	0.07005755	-0.8963163	0.5812239	0.43126968	-0.26462522	-0.77025044	0.075647205	-0.026652928	-0.16077013	0.102680296	-0.21383841	0.22919454	-0.18322362	0.6249486	0.13524556	-0.35257322	0.14166188	-0.61258805	0.5658941	0.31651464	0.837613	0.00313075	-0.33325312	-0.13268009	0.7069215	0.76544225	-0.34016642	0.08041098	-0.49980164	-0.99993014	-0.025160087	0.6107345	-0.06308564	0.30853793	-0.18569188	-0.22546217	-0.2079368	0.79297507	-0.58864164	0.27920488	0.17477849	0.01552881	-0.511905	0.6333222	0.97875583	-0.28316933	0.11762217	-0.1430351	0.0932738	0.47564742	-0.3697544	-0.18314537	0.5059236	-0.47047526	0.2658842	-0.323907	-0.03134221	-0.16204809	-0.190495	0.27341154	0.9037699	0.5096934	0.47037804	-0.5034272	0.37430397	-0.10343001	-0.11272398	0.116643496	0.5221081	-0.058642365	0.10127236	-0.74416184	-0.5046718	-0.06588438	0.013051493	0.21577236	0.043609995	0.41192654	0.36469758	0.08007266	0.44957176	0.63801587	0.44529793	-0.27859098	-0.34329858	0.061064024	-0.64673233	-0.6215467	0.9672937	-0.66202366	0.33196208	0.8950243	-0.08816498	-0.298273	0.8359527	0.6076412	0.23784442	-0.7985258	-0.9083954	0.36811492	-0.10145718	0.9974086	0.27615273	0.5576494	0.13893305	0.6882779	-0.52244407	0.7479031	0.3041998	0.5566004	-0.43951678	0.9291405	0.3498815	0.32536	0.17218594	0.41270652	0.99999744	-0.9906953	-0.18436559	-0.045953434	-0.5744047	-0.54441965	-0.62332743	0.17296325	0.20215358	-0.8507191	-0.91976994	0.4677261	0.2215382	0.15163115	-0.573016	-0.7620232	0.060841728	-0.42355078	-0.08917539	-0.04767989	-0.50228083	-0.13090979	-0.9815595	-0.43939823	0.20065473	0.8056452	-0.36746225	-0.4940874	-0.75222635	-0.18264835	0.50296533	-0.9559222	0.06817075	0.27572948	0.33917162	0.19526206	0.6337719	-0.7354401	0.32138506	0.7363915	-0.04755752	-0.2908856	0.05453117	0.42992762	0.005825284	0.041896682	0.043786857	0.5218763	-0.007664261	0.18024214	0.53164035	0.29746464	0.49730763	-0.60723597	-0.96377444	0.66436577	-0.037818734	0.1573858	0.4013285	0.7594823	-0.26847672	0.9996946	0.12844029	-0.16839668	0.12866971	-0.5656359	-0.42403424	0.67487115	-0.8249264	0.27931163	-0.5407414	-0.24961452	0.23816377	-0.30205157	0.6506208	0.13497257	-0.22329134	-0.51092637	-0.40336755	-0.99615884	-0.6448442	-0.07326352	0.37417766	0.1300386	-0.33649635	-0.70343536	0.29130626	-0.2777114	-0.37374988	0.13984595	0.29536104	-0.36346218	0.3061209	0.7184248	0.47841194	-0.3834088	0.35460556	0.14247534	0.22649091	-0.5048582	-0.27785307	-0.6212235	0.12399765	0.06369	0.105705105	0.014803323	0.7543126	-0.101805896	-0.64456123	-0.46482682	0.2704894	-0.8392106	-0.17769195	0.5941913	0.69527537	0.44759667	-0.49223277	0.02392537	0.19616023	0.07916693	0.9999743	0.23792084	-0.9836774	0.27408022	0.99907446	-0.6924152	0.22768234	-0.99942905	-0.5291632	-0.3861233	-0.562779	0.22390118	-0.70108014	0.27255204	-0.7135927	-0.40238696	-0.5488051	0.012357046	-0.6152132	-0.33290774	-0.09444262	-0.22312963	-0.9999428	0.9999996	-0.41105917	0.40655804	0.52624077	0.35611737	0.52308816	-0.5443865	0.11941017	-0.15843278	0.35102996	0.46204463	-0.43396935	-0.57217884	-0.46249524	-0.5706989	-0.3485255	-0.25606927	0.03501426	0.45948952	-0.9998217	-0.415819	-0.7689613	0.3317417	0.2383069	-0.09443409	-0.94175535	0.36478257	-0.6394188	-0.5466874	-0.21317138	0.09299525	0.2504982	0.9872278	-0.09077419	0.5431304	-0.26510295	-0.22063643	0.38525677	-0.3581048	0.5172474	0.118912004	0.22350048	-0.16009684	-0.16098887	0.42018688	-0.38903847	-0.0914556	-0.050724298	0.495274	-0.23282272	0.55534685	-0.048737694	-0.125082	0.3300502	0.9943514	-0.48119968	0.59360933	-0.14672878	0.59694517	-0.0950232	0.99989176	0.7707779	-0.6165166	-0.333243	0.13545312	0.23036012	-0.09106951	-0.99535197	-0.23904516	0.7634144	-0.07972234	0.6258021	0.5898758
623	0	COCc1nnc(-c2ccc[n+]([O-])c2)n1-c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12	-0.24660197	0.09986013	0.3720478	-0.6881227	0.093033396	0.6124476	0.56661344	0.59231	-0.6872731	0.631781	0.16266307	0.1682666	-0.07526194	0.121707395	0.42589024	-0.14771442	0.71032417	0.2315478	-0.2385554	-0.5988724	-0.056088742	0.071770236	-0.55978626	-0.21813072	0.615049	-0.24250777	0.7169962	0.5142017	0.2927878	0.056278143	0.19630976	-0.4162424	-0.4247537	0.039905645	0.28829324	-0.58352864	0.43156317	-0.19025819	0.99958664	0.19506218	0.42671853	-0.06928143	-0.46654734	-0.39560264	0.13842486	0.87806416	0.37110332	0.72666466	-0.2493708	0.25813863	0.19182383	0.6545396	0.22823967	0.4983686	0.07987668	0.72259635	-0.7181045	-0.972913	-0.3412789	-0.19441868	0.46817592	0.33649033	0.110979535	-0.53015435	-0.7056127	0.006655579	0.33186123	-0.5292094	0.43640423	-0.7852039	-0.9693732	-0.9941464	0.77547216	-0.9085602	-0.25344583	0.027149549	0.27443603	0.2977935	0.4042835	-0.999762	-0.75012636	-0.43872645	-0.98326147	-0.15334179	-0.5105624	0.18121544	0.43404937	0.3325007	-0.87248003	0.6878917	0.19278407	0.1899939	0.058912724	0.24826731	0.9999669	-0.5500384	-0.6446437	0.052581564	-0.24744771	-0.003919615	0.19750862	0.4824203	0.76089275	0.56739867	-0.99974203	-0.84320104	0.034686547	0.12925765	-0.99995136	-0.30646446	0.010311867	0.23209488	-0.11684958	0.2054315	-0.43740496	-0.4520506	0.25291625	-0.7616876	0.8436913	-0.4754853	-0.14649314	-0.9093724	0.47965562	-0.26096976	-0.12204578	0.11291181	-0.34387726	-0.7964755	-0.2759047	0.9813747	0.44989333	-0.3983371	-0.18688573	0.27132344	-0.014923646	-0.92959917	0.043820824	-0.45174438	-0.68619895	-0.6968547	-0.99999785	-0.1682696	-0.82488513	0.18397039	0.32109118	-0.122453675	0.63796836	-0.15944879	-0.99891275	0.1540851	-0.0365459	-0.6533494	-0.8659077	-0.48529625	-0.21464452	0.49695998	-0.61244446	-0.98492116	-0.18147935	-0.02188807	0.1209236	0.71203744	0.35815752	-0.7428419	0.80646735	0.8578117	-0.021441687	0.37336108	-0.580193	-0.24489884	-0.05107178	-0.7702359	-0.007650155	-0.11096511	0.33034188	0.8364729	-0.7103944	0.4012047	-0.06386315	-0.10284237	0.36264282	-0.99893343	-0.5364212	0.25782704	0.93490374	-0.5443431	0.29214728	0.51956105	-0.25694418	-0.5070522	0.43266883	0.39658	0.37067932	0.073506534	0.4053974	0.7117131	-0.14922166	0.8747449	-0.2944995	-0.21770284	-0.7191711	0.20642659	-0.06839679	-0.04403216	-0.7656917	-0.40897018	0.6369427	0.40731686	-0.8546929	-0.9997521	0.07229213	0.55077034	0.2671747	0.6105112	-0.011819988	0.07412093	0.5939315	-0.63966846	-0.5618769	0.76435274	0.5194399	-0.12438996	0.8362499	-0.4652762	-0.1592794	-0.54071516	0.67855334	-0.4675978	-0.0967723	-0.20459993	0.17831166	-0.5003517	-0.21847068	-0.40211153	0.045787025	-0.76499116	-0.34801543	-0.7074587	-0.4647774	-0.78381795	-0.9991953	-0.5573528	0.51758593	0.31141156	0.20954017	0.30119565	0.5417707	0.63660055	-0.10293958	-0.2032694	0.58108294	-0.103961326	-0.5663895	-0.44087705	0.05700797	0.119595826	0.25087175	-0.043074414	-0.38458127	0.3731591	-0.100662544	0.2550855	-0.084498435	-0.22289318	0.56197655	-0.12734094	-0.08155858	0.10507206	0.60719955	-0.50686157	0.09884426	0.9998594	-0.12070753	0.32895795	0.6294171	-0.65274054	-0.19853604	0.7456129	0.013200431	0.13591048	-0.30338076	0.88205135	-0.04481069	0.058025047	0.44662407	0.13957633	-0.45127398	-0.63522285	-0.981717	0.31332204	0.6140703	-0.593928	-0.10302145	0.7258125	0.17197128	-0.2262913	0.9999998	-0.44402528	0.5521112	0.25044882	0.85612947	-0.018610368	-0.6876864	0.26694667	0.57026553	0.28279525	-0.99876136	0.15470167	-0.25697497	0.7229242	0.7114264	-0.24361582	0.72506243	0.024890563	-0.92030895	0.031113312	0.2672771	0.037454292	0.9858719	0.22098613	-0.007845843	-0.17099966	0.09283761	-0.26484826	-0.4356711	-0.7039903	-0.111575015	-0.18300168	0.04898562	0.08478682	0.26103675	0.48470083	0.063856944	-0.6000081	-0.4003581	-0.807794	-0.5568818	0.13337103	-0.04822267	0.2893836	-0.39577234	-0.63806045	-0.37531352	-0.7609409	-0.13263153	-0.24493049	-0.08466141	-0.2192337	0.08399308	-0.9760059	0.48538855	-0.033921544	0.25858733	0.10509662	-0.049830366	-0.2906215	0.65872616	0.99850243	0.0975217	0.30163112	-0.20675941	0.46885848	-0.40344265	0.44839543	-0.1977014	-0.65951437	0.38244656	0.82424074	0.47654873	-0.94988054	-0.1842894	0.15311274	0.39268303	-0.9462236	0.47622582	-0.9999992	-0.31732443	-0.6907006	0.07778235	0.2786876	0.15407169	-0.22187436	-0.43400645	-0.6385172	-0.32142892	-0.37063003	-0.41913098	-0.5238509	-0.26049477	0.6072024	0.4988876	-0.8215198	-0.19475429	-0.25744635	0.046578486	-0.10666912	0.88157153	0.1862689	0.6808458	0.6149259	0.99761325	0.21231674	-0.58255994	-0.019240677	-0.5248664	-0.5148545	0.19010083	0.88150746	0.3232622	0.43692225	-0.033490203	-0.1630723	-0.17776072	0.12235503	0.032221057	0.08013751	0.77630746	-0.3769613	-0.9699979	0.70819783	0.99759275	-0.5599117	-0.012626793	-0.97774726	-0.63637626	-0.47607875	0.81295466	-0.6597211	-0.46020052	-0.6526798	0.26017952	0.5164486	0.11953508	0.3744021	0.6694822	-0.39391443	-0.11928693	-0.079716355	-0.9999108	1	0.5926091	-0.047378853	-0.032210518	-0.046078805	-0.00866426	-0.2626709	-0.74670166	0.14699423	0.28812367	0.25090012	-0.30489898	-0.3392813	0.27901742	-0.5309825	-0.6856757	-0.71467197	-0.3501091	0.9704909	-0.9979332	-0.30195758	0.49016452	0.21247923	-0.69869995	0.7039894	0.94451857	0.59419835	0.4486119	-0.6162988	-0.42665178	0.14229245	0.37925664	0.98635983	-0.20688681	0.5511202	-0.66028684	0.7111123	-0.03680771	0.5916337	-0.5738631	0.2063854	0.33807895	0.83855474	-0.9679039	0.22246572	-0.7761851	-0.18801314	-0.5039688	0.050295364	-0.8594964	0.6892651	-0.11157233	-0.56075	0.30045977	0.9992027	-0.14429499	-0.04142203	0.06593673	0.57683694	-0.5213149	0.9995108	0.23557726	-0.36810002	0.44494128	0.1405266	-0.33901647	-0.6601691	-0.99922085	-0.3364675	0.65151036	-0.27614477	0.2679532	-0.071483836
624	1	CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1	-0.10032373	-0.1465961	0.09535777	0.000496041	-0.042476073	0.6203268	-0.30398488	-0.0570416	0.17267466	0.59266734	0.3729124	0.30767357	-0.87501866	-0.15476002	0.13189816	0.21382856	0.20685573	-0.13035752	-0.12692721	-0.091820955	-0.4446449	0.6838009	-0.24936724	0.45953998	-0.6146302	-0.69459546	0.17981254	0.7232254	-0.66686773	-0.4861332	-0.24203432	-0.87632096	0.35969606	-0.78673774	-0.08056539	0.19025877	0.028623668	0.24959281	0.9995466	0.6515972	0.26000383	-0.33322588	-0.30067322	0.26475042	-0.4041548	0.99830604	0.61338323	0.6070617	-0.3168141	0.023475843	-0.14537036	-0.50310946	-0.47935906	-0.2174726	0.92431444	0.3695353	-0.06255711	-0.9970007	-0.798307	-0.21169646	-0.44880646	0.72083324	-0.36831394	-0.2543895	-0.44102326	0.48160702	-0.6892907	0.2582556	0.4732614	0.36316276	-0.9969491	-0.9342391	-0.059800696	-0.79872465	-0.6839459	0.13817598	0.47620532	0.17775463	0.8170857	-0.99997026	0.47252136	0.72127867	-0.97711736	-0.50929296	0.57892257	-0.83000284	0.42569762	0.4890079	0.077790864	0.6375183	-0.1102317	-0.6662609	-0.012051959	-0.79404414	0.99991006	-0.6374479	-0.5259547	-0.289924	-0.09594464	0.10409474	-0.43668637	0.6533992	-0.4855357	0.8550431	-0.99995244	-0.9457409	-0.2490565	0.7372032	-0.99375504	0.5428276	0.76068693	0.6450418	-0.4599663	0.5031976	0.011026281	0.13175756	-0.44865507	-0.573619	-0.9707084	0.21165843	-0.030151464	-0.018054307	-0.6770848	0.7980161	0.22502016	0.42382044	0.51114666	-0.48296937	-0.096250676	0.99642944	-0.13906585	0.109851144	-0.4924994	0.07501403	-0.36279678	-0.9935291	-0.14305896	-0.65286833	0.19203073	-0.73292387	-0.9999999	-0.38231656	-0.9617198	0.46968478	0.13012634	0.2530202	-0.43429822	0.5934332	-0.9999885	0.07503057	-0.6859625	-0.17351593	-0.6614244	-0.16152115	0.20668747	0.85814315	-0.1772734	-0.9999088	-0.60316914	-0.769118	0.98438215	0.1565489	0.4663585	-0.42315975	-0.41419876	0.5007278	-0.23280412	-0.29663217	0.14886768	-0.40433037	0.228683	0.17780468	-0.17886063	-0.2818276	-0.2282698	0.41913965	-0.1348384	0.12290912	-0.8745127	0.43266568	0.3834719	-0.9966656	-0.4899189	-0.5575249	0.95783556	0.22991504	0.48755446	-0.10996441	0.46968824	-0.25898942	0.17148131	-0.10529582	-0.12113373	0.21859682	-0.22763202	0.4749905	-0.6293719	-0.7642946	-0.22085042	0.1360598	-0.43762416	-0.39105192	0.8121216	-0.5577801	-0.11172772	-0.34943816	0.038286697	-0.41753617	-0.51270616	-0.99835503	-0.47445476	-0.50407475	-0.21556787	0.6292351	0.30646446	0.09702342	-0.87575954	0.23993576	0.5226033	-0.71479696	0.17150591	0.13916102	0.43359667	-0.1484066	-0.89049405	-0.23929308	0.16166799	-0.91705686	-0.784975	0.000795079	0.4944278	0.09543539	-0.1993868	-0.34541768	-0.016249232	-0.33462337	-0.077163115	0.21436442	0.6065943	-0.25936893	-0.8698978	0.14671695	0.29419452	0.1831764	-0.05354499	0.52978766	-0.7225229	-0.34633783	-0.17284536	0.52225506	0.544627	0.5516172	-0.2174112	0.044446845	0.5440645	0.20737159	-0.20343277	-0.3242425	-0.7998166	-0.13350734	0.36546847	-0.2045118	0.04230738	-0.38509643	-0.046708398	0.68509823	0.5010338	-0.22982872	0.86111	0.44561687	0.45104033	0.99836344	-0.7286519	0.5220787	0.81736887	-0.76578313	0.04181905	0.4112866	-0.717857	0.49277037	0.3103631	-0.8924914	0.022005787	-0.706267	-0.69812	0.28389448	0.44424912	0.83245313	-0.29374108	-0.56493306	0.102930345	-0.9991815	-0.7309641	0.55257493	0.43560255	0.16341463	1	-0.79986364	0.14091201	0.5117092	-0.1678239	0.2198075	-0.44758645	0.052941415	0.4760887	0.75250286	-0.9999502	0.032630477	0.8675526	0.26544175	-0.118508905	-0.33029413	0.8076242	0.8876764	-0.82402474	0.24925323	0.19295785	0.37749454	-0.9061392	0.8060605	-0.30049738	-0.024442606	0.5737224	-0.75818086	0.4039865	-0.34478897	-0.5181195	-0.4492733	-0.7747031	0.32499972	0.78528124	0.5085217	-0.090490356	-0.3880326	0.15950006	-0.06396133	0.15042904	-0.71274376	0.37312204	-0.28865165	0.07305657	-0.05966604	0.72781837	-0.17948672	-0.6057314	0.4092068	0.11002383	0.10052439	0.3765103	-0.9981886	0.9858311	0.41461092	0.47055855	-0.7438827	-0.07585373	-0.08598583	-0.37569857	0.9970747	-0.85325164	-0.6082383	0.6287318	-0.562898	-0.43526256	0.4958813	-0.33927497	-0.5581723	-0.42544416	0.2409958	0.5160781	0.782589	0.6309422	-0.6674294	0.36306682	-0.97717655	-0.3984498	-1	0.49882933	0.28336418	0.90156645	0.8175665	0.92838097	-0.10094513	-0.3044555	0.34661737	0.19019298	0.491019	0.4666889	0.054970823	0.36426	-0.13314943	0.10971276	-0.08276261	-0.28261572	-0.68246156	-0.1028121	0.43097496	0.67206395	-0.7371831	0.2891869	0.39495283	0.99826515	0.55524397	-0.030174697	0.4252814	-0.87386775	-0.5606336	0.22147197	-0.32683498	-0.25202706	-0.3320031	0.20218354	0.45787597	-0.6653602	0.14927661	0.13425574	-0.26804593	0.99992126	0.007077149	-0.9373685	0.113786615	0.99819475	-0.04735661	-0.26747766	-0.9995719	-0.41486344	-0.9862779	0.11797252	-0.6846248	-0.17859778	0.49729735	-0.27871665	-0.11712012	-0.6009392	0.5528547	-0.34038106	0.41429213	-0.21401906	-0.30179712	-0.9437676	1	0.9951359	0.54720914	-0.1554304	-0.6241	0.3163817	0.19660725	-0.6613734	-0.7164257	0.07445988	-0.56140906	0.18472236	0.005056587	-0.13662164	0.38607323	0.07339143	0.48380867	-0.12892473	0.99910206	-0.022885839	0.04085874	0.1713837	0.36772776	-0.05774877	0.64772326	0.90169907	0.70313317	0.47600698	0.32264745	0.20673376	0.09474139	-0.44588166	0.9930741	0.18060279	0.87942505	0.208419	0.81690717	-0.62462234	0.6980457	-0.38797683	0.19699338	0.7289894	0.77979785	-0.6544142	0.25676188	-0.7459242	-0.4062027	0.4464089	-0.049202204	-0.39322552	0.3697928	0.23324315	0.24313462	0.5222808	0.9994986	0.33051252	-0.23300745	0.92042124	-0.29303116	-0.7798683	0.9996251	0.10389119	-0.7793365	0.33378544	0.57865924	0.56732506	0.34172016	-0.99801517	-0.77051157	-0.5000673	0.34910876	0.41841516	0.41111386
625	1	CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(S(N)(=O)=O)cc21	-0.80651015	0.034785856	0.54478973	-0.004678811	0.15543921	-0.74843854	0.13131908	-0.40608868	-0.29641017	-0.32578686	-0.6178011	-0.10464775	0.040832363	-0.28638196	0.56385756	0.23778144	0.22521807	-0.25587806	-0.38298222	-0.50179154	0.5136443	0.08134947	0.13610344	-0.10875485	0.30634844	-0.5513478	0.22291769	-0.11590644	0.0956914	0.023324693	0.48409465	-0.16344826	-0.06676845	-0.097105235	-0.45291924	-0.54643756	0.018655531	0.49593794	0.99954456	-0.69550335	0.10870173	-0.012481411	0.12295927	-0.1257177	0.48896906	-0.39881337	0.5076653	0.40782204	-0.09552015	0.62492275	0.25484928	0.1943906	0.47719833	-0.15040818	-0.8116793	-0.024310576	-0.56494755	-0.6573872	0.050955556	-0.16533431	-0.31450713	0.02356191	-0.016289705	-0.051730588	0.69191873	0.61784166	0.14944266	0.22841813	0.64456373	-0.24267964	-0.89121294	-0.81717986	0.42315316	-0.37570226	0.46548367	-0.17678717	0.062025584	-0.45106497	-0.30111772	-0.9974067	-0.67761225	-0.39577436	-0.9199103	-0.40452877	-0.3214361	-0.8486237	0.4105051	0.102722906	-0.7202573	-0.43071398	-0.26862532	-0.27828383	0.223502	0.20443723	0.9802512	-0.65975636	0.4555748	-0.15086181	0.5808061	-0.24186532	0.5672847	-0.08586471	0.108825825	0.58256364	-0.99566925	0.03932227	0.57469577	0.030797398	-0.9972504	0.4117205	0.16301891	-0.029925155	-0.4760652	-0.7235705	0.1085639	-0.032011528	-0.6738011	-0.25522992	0.984703	0.22591922	-0.14035715	-0.2733128	-0.18818516	-0.26852918	-0.31091094	0.22444932	-0.2793179	0.33477896	-0.3564923	0.9997284	-0.08674117	0.37577322	0.5069843	-0.15056098	0.08337476	-0.9189973	0.43174008	0.75664026	-0.7817701	-0.042527396	-0.9999866	-0.016364204	0.7908709	0.5864955	0.41963467	0.26655796	-0.121220894	0.46076638	-0.9083064	-0.62690413	-0.18650278	-0.5816142	0.37439615	-0.06771993	0.18634117	-0.3281114	-0.7660654	-0.40549815	-0.5966413	0.8220868	-0.7411808	0.5266208	0.09561651	-0.24830693	0.81286937	0.4240639	-0.17825393	-0.29540002	-0.38714665	0.15804118	-0.31019318	-0.032197133	0.2321292	-0.7167603	0.55777204	-0.8643197	-0.36215773	-0.15845937	-0.07130537	0.045782167	-0.13522638	-0.9537154	-0.17023224	0.13563025	0.4173901	-0.24917391	0.54765445	-0.103685714	-0.4886525	-0.50564015	0.42991775	0.49415436	0.08982849	-0.16956839	0.49360335	0.101939276	-0.47128326	-0.09609779	0.66134447	0.6426508	-0.6477152	-0.25023028	-0.04085891	0.3817992	-0.17791523	0.38515678	-0.028482469	-0.041754812	-0.31672764	-0.99984556	0.43689337	0.4211857	-0.12902558	-0.1986411	-0.08723193	0.066337496	0.093149245	0.134865	0.061446283	0.4388706	0.42988226	-0.16911106	-0.85745895	-0.45395836	0.9814735	0.29734847	-0.41736567	0.4204707	0.25905174	0.11459852	-0.49722525	-0.77421016	0.2934618	-0.0436345	-0.2718944	-0.39386314	-0.26513642	-0.13820286	-0.4861913	-0.107399665	0.8265026	0.36305144	0.8620006	0.64110416	0.36357734	0.39592424	0.35693556	-0.8124109	0.7113036	-0.24943359	-0.20435046	-0.7013655	0.2753031	-0.047902714	-0.525153	-0.029540777	0.48460096	-0.36424863	0.06077826	-0.5553884	-0.6047852	-0.43354082	-0.782257	-0.57087207	0.081628546	-0.41566336	0.50654197	-0.15442465	-0.8322657	0.15557902	-0.1586298	0.9974279	-0.0903439	-0.42447805	0.22640936	-0.46186915	-0.26597175	-0.40444556	-0.04076324	0.27066126	0.543343	0.9955943	0.23066887	-0.06977708	0.6110856	-0.12784342	-0.16836779	0.100436896	-0.9333448	0.50604934	-0.111044295	0.78131604	-0.40479395	0.59059703	-0.042102292	-0.1255864	0.99999774	-0.9910328	-0.30641666	-0.044902936	-0.6592901	-0.7094903	-0.22086307	0.13705048	0.014637877	-0.8692277	-0.9715899	-0.06660106	-0.042355344	0.7919426	0.4713248	0.37636426	0.015095427	-0.7900216	-0.4656256	-0.44029456	0.1958476	0.23974214	0.8976481	0.45757672	0.30906284	-0.2981368	0.09944501	-0.5421559	-0.5962215	-0.04271358	0.340143	-0.895838	0.5648691	0.73870087	0.36928537	0.31165153	0.26653883	-0.277729	-0.2643799	0.6594573	-0.72994417	0.7126928	0.32562774	0.726208	-0.1275573	-0.39755824	-0.13330431	-0.15438707	-0.4685729	0.48963508	-0.5782313	-0.26131353	0.12953508	-0.8510913	-0.9102683	0.36974433	-0.3216451	-0.04856498	-0.044917885	0.52447283	0.24681513	0.9996642	-0.46108153	-0.42575148	0.3427232	0.2297431	-0.20190531	-0.42620566	-0.88799506	-0.78676444	0.55491805	-0.32005107	-0.2689752	-0.23011556	0.048523236	0.6760105	0.3752362	-0.08441483	0.10111274	-0.9980632	-0.17123945	-0.016731128	0.4789577	0.70040125	-0.57312566	-0.38762522	-0.24503475	-0.8953502	-0.37660754	-0.71029323	-0.7261908	-0.32424998	-0.070566095	-0.46056473	-0.07159053	-0.28950366	0.42472303	0.5380748	0.7971687	-0.26921368	0.2242159	-0.46535534	0.7483937	-0.40489972	0.33473173	-0.1875014	0.6029008	-0.02052216	-0.4285057	-0.5561598	-0.38717645	-0.34940127	0.30353323	0.5905504	0.42597914	-0.115876965	0.2373713	-0.005873493	0.37591454	-0.039357938	0.9726173	0.3785592	-0.9590181	0.5541769	0.9998152	-0.6473878	-0.6787586	-0.9800797	0.8192348	-0.05654996	0.7029093	0.5888834	-0.60920334	-0.4453376	-0.43843925	-0.53637636	-0.10866221	-0.14908601	0.09992554	-0.142852	-0.14318246	0.70195806	-0.9999913	1	-0.27084088	0.001270897	0.23218417	-0.49427506	-0.07149449	-0.3567176	-0.45182928	-0.042332496	-0.24143805	0.26635262	-0.80617946	-0.06393201	-0.380596	0.20278013	-0.0610885	-0.084255934	0.5242408	0.86110985	-0.9998395	-0.40308008	-0.23164214	-0.2177966	0.1850242	0.13035019	-0.8397829	0.16868487	0.38788897	0.06463143	-0.028403344	-0.35540122	0.6343695	0.93673784	0.48788175	0.51583844	0.031791102	0.3828959	0.15211396	-0.8500779	-0.1638462	0.34817076	-0.5325304	-0.21599875	-0.7461878	0.66559803	-0.24389327	-0.17033298	-0.106119625	0.25713196	-0.23432364	-0.024920315	-0.3817816	-0.36276683	0.19551624	0.9967635	-0.21644019	0.5099845	-0.40779603	0.21684463	-0.36830688	0.99997365	0.8219396	-0.006166711	0.55556375	0.58549094	0.20330122	-0.054709047	-0.9919333	-0.3406793	0.47807822	0.27162072	0.5420739	-0.14921719
626	1	CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1C	-0.47027525	-0.4092135	0.5355006	-0.5976193	-0.18197788	-0.19786346	-0.38346648	-0.6879368	-0.36374608	0.26619765	-0.19022387	-0.025223581	0.56483704	0.17033613	-0.08266867	-0.086262435	-0.45215657	-0.42133468	-0.061662473	0.08495091	0.18345837	0.32524294	0.4105284	-0.1560304	0.5493738	0.43091112	-0.60754496	-0.24448465	-0.61079425	-0.028932478	-0.032011412	-0.49717802	-0.06356823	-0.20264395	-0.033839535	0.4677163	-0.27754584	0.8496056	0.9994524	-0.30259717	-0.5792105	0.011896504	-0.34120703	-0.034090772	0.370506	-0.25111935	-0.016642757	0.53752244	0.58734596	0.44686782	0.5590487	-0.090325244	-0.6416111	-0.105053134	-0.16138962	-0.1762865	-0.5685954	-0.68692845	0.40444806	0.6839736	-0.5985621	0.7049403	0.06351696	-0.5085286	0.36523083	0.7190589	0.41285902	0.40322655	-0.03197658	0.60217524	-0.7350143	-0.97496927	0.56895673	-0.67633456	0.40784076	-0.41519856	-0.22733916	-0.62158644	0.07498719	-0.9985766	0.15376027	-0.56516665	-0.925622	-0.44368866	-0.5316395	-0.7547417	-0.367343	-0.48350516	0.005689585	0.3292748	0.051430833	-0.49687612	-0.3686293	-0.66942227	0.9980068	-0.28818393	0.07864857	0.07672373	-0.6613063	0.1335487	0.04798663	0.38340497	-0.09490382	0.6381163	-0.9956714	-0.71014553	0.2860913	-0.22794196	-0.8977306	-0.034978565	-0.11029085	-0.25325516	-0.13732593	-0.3010728	-0.017882895	-0.16051158	-0.7555851	-0.60067	0.9856996	0.0840437	-0.44937554	0.04241979	0.110738456	-0.45575473	0.37909105	-0.075900085	0.5986335	-0.42627823	-0.2859335	0.9989192	0.38943005	-0.1934714	0.6725158	-0.023130434	0.3072404	-0.94363755	0.009339976	0.552154	-0.66331846	-0.029271802	-0.99994993	-0.47263634	0.5760999	-0.01560493	0.1436378	0.13806833	-0.61253417	0.20298254	-0.886702	-0.8942149	0.30313253	-0.58593994	-0.41931012	-0.059531562	0.38296884	0.24062075	-0.65231377	-0.1245063	-0.8686591	-0.67106867	-0.7530167	0.436732	0.49915236	0.5340103	-0.29146683	0.6271378	-0.26962614	-0.07798911	-0.06686874	-0.46755496	-0.4573437	0.13582373	0.5726125	-0.46644965	0.19689204	-0.87597364	-0.48388663	-0.87941694	-0.5635605	0.088564076	0.31748763	-0.99023706	-0.3602144	-0.33244076	0.46589777	-0.11947286	0.4515748	0.15264873	0.51446205	-0.3678939	0.5298901	-0.5509846	-0.5469267	0.39400947	-0.044424128	0.14408414	-0.08320012	-0.52732027	0.05542354	0.5787359	-0.4848811	-0.31292287	-0.042125788	0.23880419	-0.2836671	0.6480874	0.25709042	-0.6759509	-0.35726503	-0.9999064	0.16815875	-0.203584	-0.14179088	0.16855618	0.34356007	0.16301443	-0.22833127	0.17888667	0.0888195	-0.3478673	-0.09889532	-0.2363341	-0.64540935	-0.48471946	0.9895307	0.48586833	0.106020294	0.59543604	-0.15860057	-0.14995933	-0.4442391	-0.28773168	-0.036709603	-0.47010356	-0.7393003	-0.79828835	-0.30172384	0.06281689	0.31972745	-0.5462329	0.89676017	-0.5721392	0.24970771	0.10787961	0.56049734	0.18015836	-0.26574	-0.03086264	0.24257648	-0.012472006	-0.20613833	-0.9656064	-0.028809493	0.41417536	0.12882978	-0.0827168	-0.050779033	0.39700723	0.1590893	-0.55229676	-0.009756371	0.030665128	-0.07847917	-0.08111187	0.2402508	0.10608827	-0.5931222	-0.56380075	0.679117	0.55819017	0.5338843	0.99410117	0.18938473	0.2558582	-0.11208507	-0.8321722	0.2855523	0.001197539	-0.59759486	0.33278894	0.035587914	0.9946822	0.08307299	-0.43091497	-0.15589014	0.21180582	-0.28843248	0.48939472	-0.7159863	-0.32428506	0.11651329	0.8724755	0.061334737	0.8848269	0.5550092	-0.2773335	0.9999638	-0.94740176	-0.566846	-0.25463834	-0.00497763	-0.058477268	-0.6438555	-0.24228385	-0.19630696	-0.7237415	-0.96491295	0.29402205	0.46084762	-0.3873497	0.2743253	0.232864	0.103654385	-0.4580932	-0.70385057	0.07810103	0.5747277	0.197159	-0.9526007	0.6205024	0.3314165	-0.5586534	0.10611178	-0.18807518	0.65969574	-0.21915172	0.3745391	-0.7439331	-0.17468874	0.009204432	0.43029013	0.23809694	0.7043172	0.70032406	0.20221685	-0.20581184	-0.16252069	0.123434104	-0.1608639	-0.13230982	-0.44080797	0.40621212	-0.3218253	-0.07591312	0.65686834	-0.41112763	-0.3175759	0.032198824	-0.22685221	-0.77447397	-0.89702255	-0.10497392	-0.040690996	-0.71480566	-0.32864463	0.002554083	0.064036	0.9997216	0.11480218	-0.27807105	0.61197495	0.05299054	0.017405825	-0.3245987	-0.7036449	-0.5065806	0.16358116	-0.19330777	0.15061651	-0.12316395	0.15000844	0.41861448	0.32604203	-0.1106155	-0.7663301	0.9909128	-0.69327843	-0.25552988	-0.14467388	0.738196	-0.13443464	-0.54926986	-0.067172006	-0.799166	-0.35424286	0.14136484	-0.68887556	0.35283816	0.06495939	0.47329107	0.06835403	-0.20055658	0.344583	-0.05203256	0.57032114	-0.66477454	0.46489203	-0.13134539	0.3295857	-0.000517821	0.6750079	0.2150282	0.74395025	-0.09191425	-0.006596494	-0.2176032	-0.4268966	-0.597982	0.42781597	0.5197458	-0.27395973	0.07015593	0.34036186	0.058559086	-0.32029244	0.30805597	0.9999398	-0.028144225	-0.98359704	0.002015806	0.9996751	0.10456403	-0.23744287	-0.99860024	0.42731565	-0.5839935	0.38777494	0.29928613	-0.49102935	0.3101526	-0.14308609	0.16039032	-0.3774658	0.1896156	0.24134935	-0.19640115	0.30204302	-0.4584888	-0.99996203	0.99811417	-0.3391167	-0.40069172	-0.6505295	-0.776921	-0.22590257	-0.4513876	-0.5376657	-0.23734431	-0.10247801	0.18706447	-0.9104915	-0.4295542	-0.31507844	-0.69511575	0.083619446	0.5050195	0.45929003	0.74990124	-0.9997507	0.33927342	0.6092121	0.22331984	-0.247254	0.31834456	-0.5140104	0.8880652	0.2372724	-0.062064655	-0.18409067	-0.43976185	-0.6843668	0.9808164	-0.43789858	0.57378405	0.31711933	0.4316558	0.32308516	-0.34946972	0.2723906	-0.12621152	-0.24157584	0.001556714	-0.26854077	0.6930159	0.6248814	-0.0937907	-0.1419155	-0.000171313	0.50596607	0.74213845	-0.037649266	0.35099468	0.63739467	0.99460113	-0.04114996	0.63076437	0.25618938	0.64158636	0.0815781	0.9999204	0.661456	-0.24289377	0.11242993	0.72303355	0.3713326	-0.7024744	-0.9960149	-0.49809876	0.6074087	0.14152524	0.5495539	0.056535766
627	0	CCCC(CCC)C(=O)O	-0.79242486	-0.10437343	-0.7562303	0.3928067	0.24530947	0.09997515	-0.33923432	-0.11513493	0.040652357	0.39438406	-0.8052415	-0.19367576	-0.42500377	-0.7094528	0.5664807	-0.19192597	-0.22102526	-0.0865867	-0.041971866	-0.3817991	0.43829098	-0.74932545	0.075944655	-0.68416643	-0.020627558	0.07706303	0.11482024	0.19114463	-0.09206237	0.11923347	0.26283026	0.7642678	0.2851123	-0.55491686	-0.3359568	-0.8586196	-0.3973512	0.3631773	-0.75004435	-0.6139005	-0.9953886	-0.7669925	-0.10763124	0.27882844	-0.16562346	-0.9957916	-0.27082783	-0.0675108	0.9824171	0.26446846	0.5680744	0.74704665	0.25594398	0.58776766	-0.94406235	-0.36090037	0.69078	0.9637118	0.26066774	-0.14246136	-0.07132711	-0.47327003	0.3279103	0.002061103	0.53604436	0.112242326	-0.38153502	0.4132141	-0.36070067	0.024653405	0.6484714	-0.9651933	-0.19202207	0.8853429	-0.021339105	0.3889629	-0.15389398	0.09677692	0.41215855	-0.99980867	-0.49646142	0.18165572	-0.09691836	-0.38759154	0.38511708	0.58870256	0.65325654	0.398157	0.19584917	-0.19642913	0.17480323	0.31912708	-0.19266582	0.2280668	0.90285516	-0.15725636	0.118935175	-0.15054987	0.603896	-0.27833137	-0.10281124	0.11280043	-0.02233705	-0.8407822	0.9803249	0.5608343	0.49276158	0.052771095	-0.88175195	0.014829255	0.07603493	-0.28750482	0.2011007	-0.3403822	-0.23093197	0.29244915	-0.09292947	0.19797628	0.99853826	0.28252092	0.49052316	-0.07858711	-0.28080922	0.16086565	-0.44124898	0.4365948	0.000980757	-0.065392636	0.575127	0.99975896	-0.24129915	-0.032492064	-0.056335676	0.4139946	-0.39640978	-0.52812564	0.020139577	-0.21292216	-0.6610042	0.041236326	0.9998348	0.09235001	0.9854777	-0.27195525	-0.23991762	-0.2608443	0.13442312	0.44106272	0.99725264	0.54805994	-0.36550736	-0.89354926	0.36093754	-0.06757755	0.11992954	-0.1871542	-0.46102408	0.9991115	-0.5564899	-0.8775519	-0.9896159	-0.092315614	-0.28007495	-0.25467575	0.4474232	0.088541314	0.14685787	-0.06677839	0.045753635	-0.0079527	0.043073982	0.45237774	-0.2556243	-0.23785993	0.30496147	-0.9833113	-0.70037967	-0.002748397	-0.45739377	-0.1793789	-0.11062296	-0.8356901	-0.09124477	0.1362596	-0.90025187	0.36143282	0.39030808	0.2825745	-0.6643193	0.5537162	-0.008401453	0.7325172	-0.08589668	0.22462806	0.1605302	-0.6431956	0.6013017	-0.21143593	-0.21173348	0.39815074	-0.11531496	0.028028091	0.24718304	-0.41536853	0.379761	-0.044119164	-0.068381555	0.18115202	-0.12048618	-0.6029294	0.23972936	0.1158146	0.06908	-0.7201333	0.24003886	-0.23155254	-0.8662259	-0.34748554	0.60625803	-0.44530138	0.009861855	-0.3661465	-0.08644339	0.01891657	0.99136674	-0.1754004	0.18378802	0.27566475	0.59622246	-0.09347096	0.54156554	-0.4505906	0.4993706	0.4995542	-0.06954507	-0.52236134	-0.01035999	-0.45060825	0.04187716	-0.364198	0.8172283	0.19795382	0.10976709	-0.4074859	-0.71536803	-0.2251944	-0.22995995	0.013206682	-0.40888494	0.16773462	0.462173	-0.99979824	-0.5534831	0.16551602	0.057676673	-0.18542193	0.015566121	-0.49236825	-0.3089132	-0.48792508	-0.20880722	0.722305	-0.46308383	-0.031343862	0.065291904	0.09758151	0.16665295	0.45478076	0.7496499	0.12907588	-0.58037513	-0.92016196	-0.12956558	0.10202199	0.16775128	-0.33231932	0.25152987	-0.6967779	-0.2684559	0.7010518	-0.34468845	0.99886614	-0.0354489	0.42033854	0.48707765	0.2479129	0.07122152	-0.31373537	0.194864	0.15014884	0.57252544	0.99903166	-0.58744305	0.8003786	-0.058284286	-0.7329922	-0.998603	-0.9647901	-0.18626226	0.122321956	-0.24236503	0.4945623	-0.24440904	-0.020878403	-0.05827885	-0.6382778	0.99871534	0.38957894	-0.40234873	0.31335637	0.06371982	0.18175162	-0.35317755	0.22220369	0.17009717	0.4982662	-0.24345729	-0.67166543	-0.98235977	-0.75486356	-0.43145087	0.54729706	-0.37991363	-0.77387714	-0.28608343	-0.59714144	0.46164203	-0.98791766	-0.37505051	-0.1414141	0.5266739	-0.3192048	0.48838195	-0.66889954	-0.1714039	0.51645106	0.049769133	-0.29319745	0.39089093	0.29130778	0.30614787	0.22911234	0.6195139	0.71477413	-0.09502505	0.4169541	0.0817226	0.374359	0.4008317	0.960359	-0.994421	-0.21431327	0.1679564	0.27994493	-0.29902315	-0.07108627	0.35363045	0.9928833	-0.36447546	-0.37824038	-0.2258757	-0.78008854	-0.18508454	0.276619	-0.34100693	0.4214628	0.04966416	-0.14560893	-0.4771729	0.19760786	-0.38803262	-0.41678002	-0.44050717	0.94767445	0.032847017	1	0.2931669	0.06693143	0.40838647	-0.036266863	-0.8993195	-0.15026085	0.2213634	-0.09202408	0.24502204	-0.41024914	0.34679767	-0.24465084	-0.3740497	0.007633399	0.10732186	-0.119878255	-0.18064542	0.09379397	-0.64568216	-0.7242518	0.22872974	-0.36018327	0.69540626	0.53793037	-0.91540194	-0.059522755	0.03691346	-0.2825099	-0.60333186	-0.18817881	-0.43094277	0.11236199	-0.45739993	0.09307449	0.57862973	0.0890625	0.19286199	-0.28081506	0.54224426	-0.13035278	0.99995315	0.2356887	-0.734604	-0.38700768	0.9988053	0.18310376	-0.45121643	-0.9985705	-0.24548884	0.47767937	0.33084676	-0.36601654	0.21281835	-0.04645296	-0.5119833	-0.198846	0.05287943	0.014742578	0.093600646	-0.14556909	0.43557462	-0.010653823	-0.99972177	-1	-0.9973489	-0.02529905	-0.035870407	0.14625047	0.53044206	-0.4940834	-0.5409873	-0.3664335	0.47134253	-0.18636397	-0.15069212	-0.06521345	-0.45329964	-0.4582503	-0.37633237	-0.0713217	0.47239128	-0.99230164	-0.9997211	-0.73990315	-0.4192258	-0.036513723	0.45442048	0.078017555	-0.9627851	-0.33237293	-0.030953472	0.36052796	-0.21162957	-0.022875203	0.39335677	-0.923352	0.6403647	0.5782937	0.32461342	-0.07708002	-0.20311625	-0.7881878	0.07571306	-0.16809607	-0.5433723	0.5846445	-0.13142514	0.20519015	-0.1417398	0.17751372	-0.56242025	0.09634684	-0.04615863	-0.021754064	-0.43744338	-0.3449897	0.0942349	-0.96744156	0.07896036	-0.54523534	0.25752947	0.17665352	-0.051120818	0.9997946	0.4326836	-0.64920986	0.14009172	-0.02481344	-0.04702097	-0.3074265	0.69981694	-0.68829495	-0.102397	0.054820474	0.90993196	-0.3623931
628	0	CCCSC(=O)N(CCC)CCC	0.09638405	-0.35709864	0.1162673	0.021233765	0.61321443	-0.12698697	-0.46098736	0.109991156	-0.46882766	0.34878042	-0.8625627	-0.59511596	-0.52544725	-0.21645895	0.5917233	-0.5650689	-0.037801538	0.062111076	0.36151114	-0.2606201	0.38934526	-0.34046838	-0.23512149	-0.39833066	0.03433895	0.5775125	-0.29417717	0.11892844	-0.24342914	-0.4467016	-0.15237232	0.40051585	-0.10956287	-0.1311096	-0.25919783	-0.553354	-0.26121545	0.30316654	0.25217822	-0.78607976	-0.9854385	-0.23825288	-0.62547916	0.6720088	0.13299902	-0.99265796	0.274518	0.07861941	0.9716713	0.55308324	0.15274857	0.3843388	0.10151041	0.28892407	-0.7563431	0.3163163	0.7977811	0.93479216	0.22665061	0.60360324	-0.102814704	0.42908508	-0.16417587	-0.021990972	0.43447864	0.57657874	-0.25740325	0.43040654	-0.2958772	0.112412944	0.20102122	-0.95067424	0.12521556	0.83829737	0.55461335	-0.43466964	0.11871118	-0.117196046	0.6180302	-0.9995219	-0.39252785	0.11445974	0.17572793	-0.2848877	-0.048413765	0.07290682	0.5732213	0.38269562	0.056835428	0.25765783	0.5899873	-0.31277397	0.03450019	-0.36383402	0.94971895	0.20212245	0.14184289	-0.000447261	0.46452874	0.56553364	-0.48070022	-0.16136825	0.10150864	-0.66838926	0.835739	0.04017903	0.6358803	-0.5155958	0.98892325	-0.13119608	-0.21546924	0.084000714	-0.599502	0.14370258	-0.37263647	0.022590071	-0.1685393	0.20459019	0.99849033	-0.17840281	-0.06622367	-0.016456299	0.20908634	0.21025783	-0.21394256	0.11467603	-0.059901476	-0.4654708	0.035845954	0.9994586	0.1964574	0.15742923	-0.080936514	0.014956877	0.42719683	-0.9562609	-0.1641982	0.335043	-0.49137816	-0.66288054	0.99967057	-0.018825203	0.986701	-0.41033176	-0.48214528	-0.3468864	-0.63746893	-0.034443274	0.9841122	0.099179864	-0.3557515	-0.5027755	0.4300064	-0.13742976	0.2982237	0.12198761	-0.6208574	0.99794847	-0.7621388	-0.91147614	-0.97302866	-0.38102165	-0.57165563	0.2652107	0.37050694	0.24440566	0.231694	-0.7121425	0.20188864	-0.108859226	-0.31770056	-0.24457607	0.6679607	0.2701843	-0.55466694	-0.9390662	-0.6918156	0.13743247	-0.44420028	-0.518791	-0.29483053	-0.17895052	0.46331027	0.3040489	-0.89026725	0.033620115	0.16643108	0.48194066	-0.33086377	0.16390449	-0.53638893	0.27324486	0.13584453	0.3759411	-0.115736835	-0.7731658	0.70448345	-0.8529087	0.15636338	0.19486554	-0.2838721	-0.45948392	0.6043538	0.034335867	-0.3921295	-0.27268696	-0.07937847	-0.46252766	0.32213616	-0.9875374	-0.41611546	-0.14880575	0.33507052	-0.31724274	-0.03804925	-0.47221842	-0.49979037	-0.6844711	-0.25114277	-0.21593852	-0.079351336	-0.1506812	-0.3302554	-0.080332786	-0.937428	-0.4193395	0.6580726	0.44938102	0.076386176	-0.02491482	-0.18011545	0.37726682	-0.19126628	0.15858376	-0.012278367	0.05885703	0.15539376	-0.41674367	0.073359914	0.43477437	0.7826741	-0.06896465	0.59234446	-0.6074223	-0.74509066	-0.1402363	0.46386537	-0.64921945	-0.4565183	-0.110257395	0.72621834	-0.9997299	-0.610485	0.59295523	-0.21229137	0.069295466	-0.47288758	0.19629584	-0.4130163	-0.59483105	0.06965348	0.39138582	0.1686488	0.07811662	-0.16694133	-0.000571843	-0.008074313	-0.009946318	0.5253474	0.43721876	0.0692708	0.7960693	-0.38386124	0.34496117	-0.062829405	-0.784503	0.6984617	-0.33212578	-0.83507574	0.73750114	-0.5001414	0.9989809	-0.47409028	-0.23201421	-0.07253693	-0.37449673	0.17232525	0.8089805	0.9317892	-0.09603406	0.39481872	0.99903405	-0.77798444	0.88515526	0.4278214	-0.58991206	-0.99763143	-0.9677485	0.54409724	0.4352851	-0.41721782	0.7230299	-0.042857453	-0.56852585	-0.16438846	-0.07628673	0.9891635	0.29785243	0.2905057	-0.1065556	-0.14517574	0.016277911	-0.28870198	0.46980402	0.7682699	0.6952256	0.2585792	-0.6892828	-0.9999314	-0.28268102	0.039348774	0.78895944	-0.24945989	-0.7427741	0.6932651	-0.46677807	-0.28206378	-0.9281615	-0.25419065	-0.13352779	-0.0808198	-0.10132379	0.27049953	0.078337565	0.07047277	0.31310892	0.1773101	-0.46721143	0.6982546	-0.4470352	-0.05210898	0.43832943	0.55336195	0.82241035	0.44185162	-0.32961163	-0.5543899	0.5266555	0.087647274	0.8814243	-0.99368584	-0.12285922	0.5159407	0.13851188	0.19551507	0.2550479	0.041426554	0.9994222	-0.5451408	-0.6126306	-0.500031	-0.19549252	0.2706184	-0.3249005	-0.58646286	0.0361388	-0.26793668	0.05326365	-0.45613363	0.4506808	-0.44360062	-0.23765847	-0.4689761	0.86612165	-0.18441914	1	0.27944887	0.1697395	0.5943188	0.24323006	-0.3147888	0.5279128	-0.05304996	0.4438007	0.7402856	0.46972793	0.3995611	0.687013	0.28579193	-0.15247451	-0.28285035	-0.0855062	0.15102105	-0.3782096	0.22429997	-0.8791553	0.4991998	-0.7528315	0.41643584	-0.071532175	-0.80309445	-0.050544553	0.22732279	-0.15142183	0.27256763	0.003879605	0.21936958	-0.1942333	0.40655276	0.21989977	0.26140606	0.40747938	0.03952704	0.13362074	0.098931916	0.2866792	0.9999999	-0.18020083	-0.60576755	0.13960408	0.9989849	0.031079778	-0.45392734	-0.9999382	-0.28661072	-0.46973217	0.21709038	-0.66905385	0.070300624	0.482765	-0.42098492	-0.42408383	0.6774778	0.30551332	-0.49434158	0.78192973	0.19109805	0.29075903	-0.99985844	-0.9999998	-0.9928315	0.27767473	0.07441371	-0.53027034	-0.22216596	0.27474177	-0.3954225	0.06909663	0.51394236	0.28378025	0.34381586	-0.06222606	-0.24594502	-0.67465204	0.5134344	-0.040463325	0.7015894	-0.9762351	-0.9996752	-0.05089269	0.23956232	0.32709718	0.047535334	0.66674995	-0.9780157	-0.29843855	0.7498244	-0.032747872	-0.17512898	-0.21019793	0.028067833	-0.8413171	0.2830378	-0.10825115	0.71891195	0.80948275	0.036262542	-0.2133894	-0.2966712	0.2193199	-0.5532108	-0.12273791	-0.68744034	-0.36183348	-0.39147466	0.59949774	-0.43402845	-0.14494777	0.42624894	0.13472748	0.14919105	0.3746884	0.44562495	-0.67141783	0.48497736	-0.37236303	-0.006266173	-0.10391313	0.23809384	0.99962014	0.08621759	-0.5934646	0.16328368	0.07687265	0.1770037	-0.24332818	-0.57609403	-0.4797372	-0.18285395	0.23634525	0.5334523	-0.22141245
629	0	COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC	-0.34464392	-0.7412184	0.16865367	0.08453158	0.06920221	0.1906219	-0.07691104	-0.003563657	-0.46186003	0.13751931	-0.6556459	-0.3119853	-0.07071002	-0.61164767	0.12061651	-0.12689357	-0.29162225	0.42566043	-0.52844256	-0.5914916	-0.25510064	-0.0786805	-0.26565403	-0.5147726	0.21323304	-0.3702405	-0.21689457	-0.011729343	-0.31458667	-0.1017417	-0.5416541	-0.6238353	0.74012744	0.5375578	-0.50065786	-0.3979083	-0.038035497	0.46966684	0.99922794	-0.7082194	-0.52625155	0.1372531	-0.04283356	-0.73310995	-0.5281415	-0.04813786	0.5749644	0.4610364	-0.007621937	0.22027785	0.5396558	-0.64837766	0.58516675	0.34499282	-0.2875385	-0.5945856	0.033901338	-0.5572491	-0.18061925	-0.11836908	0.28251636	0.04148034	0.327544	0.6484896	-0.08729805	-0.16598868	-0.7268068	0.001810738	-0.30234015	0.5325486	-0.9477348	-0.87392247	0.039340917	0.22407635	0.5676753	-0.15814076	-0.77504915	-0.012793349	0.15896744	-0.9981921	0.2783655	0.36505008	-0.924849	0.09793108	-0.7712532	-0.9455484	-0.5384599	-0.5081309	0.014717399	-0.33363748	0.101483904	-0.1140257	0.5637071	-0.52512306	0.9914414	0.1506982	0.7372436	0.2163826	0.65292513	-0.025791641	-0.70011115	0.4491402	-0.49207973	0.99344695	-0.9962595	-0.36804777	0.01922331	0.34083104	-0.8514041	-0.60638195	-0.35155913	0.48876292	-0.36525264	-0.46121275	0.4208921	0.55116177	-0.06666561	0.14615928	0.94285923	0.74033874	-0.41327333	0.36960712	0.31618893	-0.007254628	-0.20287807	0.2706687	-0.5555879	-0.47036278	-0.2001491	0.99974847	-0.4894782	-0.27352417	-0.41308987	0.57111055	-0.09949478	-0.9527803	0.5616915	0.63792145	-0.6348722	-0.63515395	-0.9999973	-0.4584644	0.8805041	-0.092386335	0.2062898	0.71016055	-0.33717233	-0.23902228	-0.96407795	-0.47321793	0.52873296	-0.31309643	0.6318256	-0.13382082	0.17552195	-0.24939221	-0.2530966	-0.5503838	-0.52853024	-0.21528234	-0.53843623	0.38409477	0.79684097	-0.82384485	-0.33308133	-0.55072933	-0.89450485	0.24118185	0.4577699	0.20736289	0.22630228	0.42941535	-0.14950095	0.20134851	0.22570798	-0.92401993	0.45128968	0.57949215	-0.35103032	-0.57962537	-0.46632567	-0.08833243	0.036180153	-0.38188103	0.52194613	-0.62202376	0.41994926	0.14138134	0.7346454	0.69584525	-0.6483247	0.66848123	0.121227324	0.45596412	-0.5088068	-0.13423735	0.28902888	-0.82965887	0.45158273	0.35944232	-0.5250309	-0.35961798	-0.13595101	0.59950507	-0.3908537	0.033766277	0.105011456	-0.70333064	-0.16422309	-0.999922	-0.24965267	0.21220788	0.23567247	-0.14051215	0.03105232	0.44830874	0.6846856	0.20429465	0.5890858	0.110666275	-0.08487778	0.38384452	-0.6891625	-0.42907968	0.9316161	-0.43791223	0.13336994	0.2534776	0.034234814	0.05408155	0.57209784	-0.024417244	0.3958458	0.29122967	-0.092087105	0.08468933	0.017541364	-0.18871723	0.14980815	0.46644238	0.9488499	0.5098406	0.40574247	0.060592465	0.22470334	-0.10622766	-0.35572422	0.3188116	-0.13058746	-0.6742332	-0.6240621	-0.7241024	-0.075744726	-0.048778	0.20714232	0.67859894	-0.14765097	0.012955032	-0.13371491	0.025455404	0.4425294	0.3030416	0.7383356	-0.16227925	-0.092498876	0.09104073	0.13623045	-0.14723931	0.5565098	-0.117342286	-0.26275885	0.98869973	0.4469309	0.45363116	-0.5102071	-0.81622463	-0.20516905	-0.4442107	-0.40988907	0.53023785	0.053606194	0.9914733	-0.12567018	-0.33996078	-0.41299897	-0.13495687	0.50309867	0.78995645	0.22425035	-0.29677427	-0.3038579	0.651739	0.07792836	-0.5179626	-0.17034921	-0.010293732	0.99999917	-0.98540616	0.22598416	0.2920088	0.27447805	-0.05100111	-0.14096774	0.3409417	-0.5053614	-0.85461354	-0.994683	-0.08982853	0.9417035	0.4324607	-0.23872437	-0.24048957	0.18768705	0.20351636	0.78570604	0.074888706	-0.32924962	0.19093506	-0.96008736	0.6893829	-0.13830915	-0.23676059	-0.13023001	-0.6364137	0.005200811	0.26540446	0.34791386	-0.8328895	-0.37386522	0.056388274	-0.8603208	-0.042953674	-0.6119718	-0.17608686	0.02654858	0.4856204	-0.052129205	0.048666302	-0.34305823	0.42940095	0.07224022	0.38133684	0.55807114	0.16084322	0.6283409	-0.2822637	-0.14417835	0.4444379	0.604865	-0.86981535	-0.8536913	0.0816597	-0.3945249	0.5205483	0.8344595	-0.039533492	-0.23201773	0.9998339	-0.5616478	-0.3921068	0.08813211	0.37724727	0.20029771	0.05878398	-0.7737168	-0.02486142	-0.5974763	-0.3520733	-0.6304129	0.24435277	-0.39721122	0.5211028	-0.23880735	-0.18902725	-0.35902637	-0.9966968	0.44623697	0.05291805	0.71064156	-0.33869186	0.70645297	-0.32182994	-0.00105356	-0.4326194	-0.3963065	0.4475841	0.5795059	-0.1504542	0.057113223	-0.83566153	0.4723024	0.13108501	0.33640456	-0.45855132	0.6915202	0.11146217	-0.2112334	-0.49564996	-0.63147384	-0.44462243	0.17303322	0.38580394	0.3184695	-0.46221063	0.60224557	-0.39234444	0.13203047	-0.8051648	-0.3646657	0.24356937	-0.5377383	0.3328732	-0.034786686	-0.71424997	0.5077438	-0.27585015	0.99993443	-0.3569364	-0.972489	0.18032742	0.9985473	0.19768505	0.3234339	-0.99879605	0.08414542	-0.8960772	-0.7288223	-0.81148046	0.19156156	-0.017760325	0.5287167	-0.1917285	-0.36445957	-0.48940757	0.37092343	-0.1843755	-0.08250813	0.0532722	-0.9998756	1	0.5446605	0.17148632	-0.32323903	-0.76467496	0.009179434	-0.78383636	0.21397215	0.2652765	-0.18606363	-0.19938591	-0.42481408	-0.50776935	0.08097897	-0.12200421	0.510581	0.088552594	0.10707694	0.9052724	-0.9993007	0.67713946	-0.11535449	0.3479521	-0.02260113	-0.3383091	-0.9487701	0.12567258	-0.49473232	-0.048837744	0.057574127	-0.46688423	-0.71054876	0.9578126	0.7636992	0.8227907	-0.1071944	0.6742604	0.21391495	-0.614857	-0.009786845	-0.121984586	-0.44596633	-0.6525019	0.74351996	-0.37090215	0.4309078	0.46121776	-0.221937	-0.40182903	-0.011482819	-0.17319785	-0.23056355	0.42347988	0.7341797	0.9991026	0.22060306	-0.24191786	0.15856181	0.82070595	0.715248	0.999917	0.8050188	-0.22219361	0.078040816	-0.23817699	0.19895886	0.62103325	-0.9961664	-0.38969105	0.4297153	-0.0805798	0.457075	-0.65100724
630	0	CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O	0.8016627	0.48333332	0.09062202	-0.06027998	0.45293	-0.22966006	-0.08671914	-0.07825691	0.4629107	-0.7003345	-0.312523	-0.5397795	0.14424248	-0.81027603	-0.32777488	0.59864736	0.812848	-0.5144378	0.41116098	-0.29885083	0.2713561	-0.7479599	0.3362722	-0.24573539	-0.546453	0.3586123	0.4224385	0.15634675	0.016608138	-0.45868006	-0.042707328	-0.3043711	-0.2581696	0.117489904	0.22336203	-0.69843686	0.67104685	0.5094803	0.9986415	-0.5094964	-0.9582318	-0.6327831	0.36730164	-0.17730008	0.07862457	-0.60281795	0.50680697	0.18763176	0.98302835	-0.08198199	-0.5493759	0.55628026	0.031112572	0.46489355	-0.78587073	0.34304774	-0.43711767	-0.35218486	0.407018	0.32080325	0.03336281	0.24275057	0.3309914	-0.179632	-0.33768997	-0.013284064	0.4527577	0.54558104	-0.3738488	0.7102999	-0.4369462	-0.9469378	0.348817	-0.7715269	0.11633843	0.22767656	0.06173786	-0.3053591	0.3377964	-0.99994236	0.016583432	-0.5482748	-0.8796399	-0.15321523	-0.20671263	-0.75491786	-0.26096085	-0.43483895	-0.33438396	0.39048132	0.1042338	0.20898923	0.36341673	0.2809354	0.9939585	-0.3475152	0.22298174	0.37589785	0.16413823	-0.5342513	0.5662689	0.05911182	-0.1964684	0.6264299	-0.9902471	-0.8405841	0.10151318	0.3807206	-0.97157675	0.7079898	-0.3788539	0.4301728	0.17667216	-0.57392675	-0.023419661	0.7272021	0.58416545	-0.66998845	0.99060297	-0.27783516	-0.007477785	0.39143932	-0.010620238	-0.73782164	-0.6454337	0.26822785	-0.071891084	0.09586612	0.06853305	0.9994816	0.30257756	0.27105886	-0.46852824	0.21966882	0.017992042	-0.7280997	0.48099196	0.6919967	-0.6630814	-0.8633714	-0.9999924	0.13391045	0.8239891	0.4028602	0.20750535	-0.53315866	0.17951757	0.50647223	-0.9075332	-0.17038028	-0.50690466	-0.8371598	0.10988611	-0.0335147	-0.5936055	-0.37333444	0.41130936	0.22326864	-0.89499986	-0.5621087	-0.8398701	-0.29177353	-0.012281409	-0.086861946	0.12435954	-0.03692932	0.26450124	0.6244227	-0.37387815	-0.010660397	-0.36756924	0.18132785	0.33941266	0.4204051	0.37595809	-0.6204237	-0.57898545	0.21599653	-0.3079599	-0.10938714	-0.34945863	-0.96734357	0.09851422	-0.25269848	0.22674695	0.29651755	-0.10345963	0.06899534	-0.50012636	0.12710863	-0.006785485	0.7093688	0.26874456	0.6875188	0.29502532	-0.1714794	0.13390155	-0.5635185	0.38746846	0.011891864	0.724661	0.13285935	0.2616716	-0.39821446	0.88067734	-0.6260027	0.74384373	0.11569818	0.46850178	-0.99984515	0.49578348	0.16634822	0.68363845	0.097449765	0.3796229	0.0879094	0.3913488	0.16756533	-0.44598264	0.027663877	0.3215124	0.60819685	-0.124951184	-0.6301947	0.92943305	0.18887837	-0.033018276	0.10739149	-0.34833074	-0.09076046	0.11088549	0.14150421	0.36987445	-0.54700536	-0.07733263	0.2185936	-0.008477678	0.28346857	-0.35835743	0.4675528	0.8875623	-0.1223589	-0.12897927	0.3075385	0.3481355	0.5638679	-0.17414306	0.09382184	0.4939542	-0.13582297	0.08332079	-0.7375564	-0.39046037	0.8508727	0.35014528	-0.441549	-0.24038039	-0.4634318	0.3016931	0.13892242	0.67156684	0.06139812	-0.2480479	-0.64772075	0.46999344	0.29143998	0.72911865	-0.2081836	0.84763783	-0.25905272	-0.10368679	0.93283266	0.1677031	-0.26101336	0.2591806	-0.4893304	0.046022203	0.63064814	-0.000964325	0.5844199	0.4984141	0.9966687	-0.45502087	-0.35725242	-0.2433602	0.31711102	-0.056065664	0.39771596	-0.29950336	-0.04104529	0.44532993	0.93124783	0.0893776	0.7920444	-0.6646688	-0.6548958	0.9999997	-0.9842353	0.7939258	-0.19523706	0.335462	-0.25078103	-0.78958005	0.14123762	-0.13355985	-0.7612426	-0.86326206	-0.20600851	0.23120685	-0.07385839	-0.28340796	-0.68452626	0.14460683	-0.12235764	-0.4235701	-0.69540393	0.4192135	-0.22425778	-0.940932	0.4997946	-0.64973474	0.49157697	0.12061176	-0.7203838	-0.2918459	-0.096620075	0.18817171	-0.8474181	0.42654064	-0.36056587	0.28604427	0.13743609	0.22856793	-0.2690943	-0.10851305	0.3213616	0.017833142	-0.11165333	0.004404434	0.62136656	0.37366596	0.6624307	0.33577356	0.47937638	-0.17031148	-0.13192149	0.13136949	-0.32202876	0.34953454	-0.7226462	-0.92610925	0.48305902	-0.11603442	0.6510555	-0.10730178	0.47754028	-0.6723511	0.9992297	0.52915716	0.8338393	0.51263845	-0.21391582	-0.53369015	-0.6308436	-0.9032467	0.51666945	-0.20850627	0.08437894	0.5408394	-0.24558628	-0.011204323	-0.5946926	0.60973907	0.043857943	0.4187006	-0.9912673	0.16631564	0.2872366	-0.0644037	0.33585075	-0.5786791	-0.15997513	-0.4639775	-0.80416006	0.6124705	0.3980402	0.6770105	-0.033802267	-0.17721198	0.68607205	0.12571105	0.3418004	-0.60140115	-0.1331021	0.3516762	-0.43051642	-0.34767345	-0.6984005	0.5109288	0.16742623	0.4306477	0.5012845	-0.22909214	-0.41767302	-0.22446705	-0.04245664	-0.4522273	-0.3198466	0.16432832	0.4274317	0.52505666	0.7230121	0.1526486	-0.17923045	0.07235466	-0.024758443	0.99994195	0.5923497	-0.9721905	0.020628395	0.9994562	-0.45133013	0.1450023	-0.998649	0.1056208	-0.40463725	0.46689227	0.4794625	-0.15010266	0.24578445	0.08271373	-0.44128057	0.5151406	-0.27087536	0.078806564	-0.15043701	0.7301134	-0.4976264	-0.9999485	0.9999998	-0.6373456	-0.13023406	0.47002846	0.28009254	-0.3394548	-0.00794166	-0.5818055	-0.6838277	-0.31524873	-0.12404887	-0.7873982	0.38172275	-0.5534519	-0.6187734	-0.001253992	-0.2800933	-0.6758438	0.504331	-0.9998017	-0.65690684	-0.62790453	-0.080551945	-0.0425592	0.076369114	-0.76596254	0.21368568	-0.7134213	0.30267084	-0.4300387	0.7118207	0.78452677	0.99139285	-0.6369222	0.3606694	0.6460066	0.6804458	-0.32145235	-0.114188574	-0.66645503	-0.12135935	0.032711618	-0.31156197	-0.798517	0.08762032	0.3432224	-0.61536837	0.05198397	0.50101584	-0.0375221	0.69866616	-0.19845371	-0.14078021	-0.25480312	0.9931976	0.07309984	0.12824179	-0.25127757	-0.12024418	0.076591335	0.99991494	0.63604695	-0.7801138	-0.18286303	0.2656977	0.29202127	0.07850176	-0.98718077	-0.33187863	0.6237541	0.23011346	0.82329303	0.07102954
631	1	c1ccc(C(OC2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1	-0.23180528	-0.06625578	0.10901744	0.26292157	0.22732934	-0.6285431	-0.73017174	0.25616568	0.2667988	0.36225903	-0.25728238	0.31049797	-0.43340352	-0.7862454	0.21281537	0.69204706	-0.4822188	0.42122856	-0.55773205	-0.07438068	0.11691421	-0.057105422	-0.48815095	0.08253868	-0.081782125	-0.063583	-0.41152963	-0.015126174	0.294412	0.121990785	0.26135758	-0.60818213	0.033990473	0.5509346	-0.27800107	0.6799345	-0.69545144	0.60379314	0.9990956	-0.6893986	-0.79302895	-0.22392933	0.020819828	-0.24298577	-0.6757101	0.71853113	-0.23325586	0.3031093	0.78479093	-0.07447698	0.25987646	-0.006573965	0.656196	0.4347764	-0.26501903	-0.57964647	0.29496253	-0.8500895	-0.19805656	0.6772506	-0.7581156	-0.61236894	-0.22889742	0.09647693	-0.273637	-0.02696474	-0.15689036	0.36371806	0.5887764	0.23108473	-0.84533644	-0.16037464	0.09315943	0.4798644	0.76763386	-0.5808369	0.06732908	-0.09883016	-0.4156801	-0.9904925	0.36820927	0.006897906	-0.84248966	-0.14166704	0.118579656	-0.9825271	-0.4705304	-0.039236505	0.16096388	0.022361742	0.578401	-0.6587517	0.47180727	-0.5348449	0.98706365	0.30297938	0.89264786	-0.3113089	-0.36413932	-0.36822683	-0.2219394	-0.007413943	0.050281003	0.9990056	-0.9992074	-0.3120392	-0.12703496	-0.31419724	0.965952	-0.17188987	-0.006336615	-0.15490066	0.13944873	-0.49360815	-0.2263653	0.84769183	0.4098316	0.56016684	0.57932633	0.82742214	-0.47883174	0.087588675	0.69937986	-0.26106963	0.27756	0.23097624	0.2092267	-0.3933064	0.17650193	0.99990493	-0.6671138	-0.43508154	-0.18412511	0.50398934	-0.33762908	-0.98766	0.38814634	0.10065035	0.20489155	-0.037267745	-0.9999999	0.022001682	0.7680133	-0.65278363	0.75167507	-0.34245405	-0.7788479	-0.28720874	-0.9971653	0.41626906	0.16158806	-0.67303187	0.5783859	-0.41041422	0.512087	0.23069505	0.19128343	-0.9554954	-0.23043615	-0.7201251	0.33233306	0.5501057	-0.13274102	-0.49130514	0.22105333	-0.30177093	-0.50882965	-0.14001241	0.54799306	-0.17434838	0.38561457	0.21580109	-0.13027015	-0.15609409	-0.5777686	-0.9507125	0.35705054	0.21040449	-0.5919149	-0.3888746	0.34592524	0.48598742	0.31611112	0.39678332	0.6603222	0.1792385	0.46483323	0.1817305	0.055149604	0.76894015	-0.77263993	-0.28689408	-0.00273459	0.22141647	-0.43730393	-0.28715453	-0.28124893	-0.7819416	0.84447	-0.8575127	-0.23799302	-0.49999037	-0.628653	0.63108027	0.2762901	-0.17373298	0.06495803	-0.94301856	-0.02620542	-0.9998154	-0.1509977	0.0640815	-0.07813314	-0.28298417	-0.088420935	-0.34633514	0.4856772	-0.16521555	0.1684661	0.5367889	-0.43382484	0.44775444	-0.37421748	-0.46701288	-0.9875517	-0.48805985	0.005638292	0.41366768	0.5611334	-0.07041187	0.062500045	0.6543678	0.6628044	0.17397328	0.085374564	0.028647073	0.3532127	0.15994188	0.3487279	-0.14754851	0.80779356	-0.030094419	0.14599447	0.31972837	0.39476013	-0.16028331	0.01681789	-0.011201877	0.28576586	0.13680829	-0.48974717	0.7588432	0.3757081	0.2499172	0.63450897	0.56705624	0.07394903	0.27435243	0.78647417	-0.10388487	0.40801176	0.47811356	0.68472546	-0.15269718	0.117714986	-0.48038813	0.04825192	-0.12569436	0.83220166	0.61707	-0.50810903	0.98911506	0.10964811	-0.34646985	-0.057241444	0.83616626	0.42781696	-0.57675034	-0.68063456	0.2750248	-0.44556573	0.96021074	-0.14258608	0.32570988	-0.33006096	0.4326582	0.5411501	0.97481644	0.92022103	-0.43553397	-0.30496746	-0.43316928	0.33247748	-0.90222216	-0.64389104	-0.10336741	1.0000001	-0.9952608	-0.114919394	-0.10463133	-0.42743933	-0.000596918	0.034770045	-0.4897807	-0.3729574	-0.753799	-0.9992535	0.25931817	0.9709981	0.48681194	-0.55656457	0.52107984	0.12594609	0.69951403	0.8775682	-0.5132398	-0.10396818	0.19639571	-0.99981946	0.23208134	-0.32362336	-0.24084304	-0.033787075	-0.8139427	0.14082053	-0.17255875	0.5893705	-0.72408265	0.1707482	0.3769034	-0.4800036	-0.5968374	-0.3817353	0.5573445	-0.31025442	0.90960646	-0.28684503	0.8655299	0.383465	0.44958466	0.17359138	-0.249445	0.11747881	0.19630094	-0.22626393	0.546513	0.061819017	-0.5074724	-0.4851026	-0.9668566	-0.5430634	-0.16496001	-0.11408596	0.51031405	0.071412206	-0.07852	-0.002953136	0.99947995	-0.26292327	-0.31603613	-0.11469105	-0.08421352	0.76163304	-0.33423474	-0.91893345	0.110472694	-0.49493945	-0.72432494	-0.2724495	0.42620912	-0.064038575	0.049440123	-0.6504422	-0.38042146	-0.046828777	-1	-0.20199284	-0.24771135	0.04933749	0.48505396	0.7663776	-0.6402172	0.60398984	-0.42215207	-0.5989006	0.40295282	0.43049285	-0.12275261	-0.35364026	-0.83132696	0.54699683	0.13798504	-0.08268058	0.11294052	0.55403316	0.5925187	-0.66780967	-0.5601541	-0.8514606	-0.63932294	0.464482	0.51384157	0.14976123	-0.27900654	0.18680742	-0.47270384	-0.027873212	-0.6299499	0.32994127	0.8717566	-0.25963393	0.20092511	-0.073868744	-0.65021634	-0.10231929	0.015177637	0.9999994	-0.25412986	-0.95860463	0.027439447	0.9981139	-0.40796483	0.76944494	-0.99991024	0.5418883	-0.9787883	-0.8059424	-0.55181813	-0.073508605	-0.045016285	-0.5203145	-0.64174443	-0.3351072	-0.61926067	0.12770638	0.15501067	0.26170775	-0.33837292	-0.99980736	1	0.9392008	-0.03463388	-0.47987357	-0.42741194	-0.12970066	-0.6341921	0.43871126	0.24064182	0.527528	-0.28952125	-0.42016235	0.14296485	0.10371711	-0.6036878	-0.013579245	-0.24365504	-0.4859973	0.9868248	-0.99710333	0.41600737	-0.54833055	0.269705	-0.10326618	-0.56877774	-0.9783698	-0.24371548	-0.17256674	-0.35945126	-0.23351975	-0.6647654	-0.5376554	0.9445206	0.45565608	0.4459337	0.017725354	0.60208815	0.26365557	-0.518565	-0.58103436	0.43742633	-0.14075921	-0.6583742	-0.19274591	-0.5102997	0.5867572	-0.06952772	-0.06037288	-0.016868504	0.025570925	-0.5670536	-0.5605701	0.22827962	-0.15846506	0.9996702	0.3801658	0.33290052	-0.025712045	0.001981984	0.5769673	0.9991019	0.66899246	-0.24263264	0.10334875	-0.6688274	-0.11221976	-0.05693056	-0.9975113	-0.03592696	0.5409372	-0.48992372	-0.004722038	-0.1825762
632	0	O=C(O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2ccc(Cl)cc21	0.5983664	-0.056894355	0.15740462	0.11041604	0.14774555	-0.20427062	0.5427305	-0.5304122	0.4620932	0.19959229	-0.4177345	-0.60347354	0.23237595	-0.1597861	-0.05241062	0.1056884	0.056607094	0.015136961	-0.095470786	-0.19919646	0.4394723	-0.19646274	0.32146317	0.30818787	-0.49953666	0.26262712	0.7935427	-0.24354385	0.4965424	-0.14351417	-0.1857497	-0.28359792	0.73249364	0.34978348	-0.2789837	-0.5411299	-0.23067947	-0.032538045	0.99938345	0.117643185	-0.6901485	0.3022321	-0.612555	0.22946051	-0.009448416	0.14575157	0.09685748	0.39973685	-0.025102777	0.43489394	-0.39273554	0.2765556	-0.55814385	-0.21538393	0.052409444	0.032434955	-0.41666037	-0.88606584	-0.7555102	0.29913843	-0.4423508	-0.06144705	0.60038483	-0.082801506	0.4001162	-0.21554841	-0.07231382	0.5225762	-0.45742047	-0.5168262	-0.95943576	-0.9791711	0.35768917	-0.60907346	0.013575509	0.18152934	0.34007618	0.18424334	0.08523096	-0.9996045	-0.13481459	0.043688554	-0.87407476	-0.6093527	0.4640426	-0.47595337	0.76180595	0.310213	-0.08038232	0.29744545	0.33126745	0.1627042	0.6137844	0.2221528	0.99888253	0.33718264	-0.431818	-0.32732552	-0.6511207	0.27470672	0.45542896	-0.23227274	0.1741991	0.5311886	-0.9971073	-0.8805751	0.09256451	-0.28907177	-0.90938383	0.1442921	-0.49682394	-0.13072407	-0.18036538	-0.24409933	-0.0884016	0.8556719	0.11186636	0.101826124	0.9811261	-0.8508878	-0.2477217	-0.6351325	-0.7149407	0.03709219	-0.47087258	0.34826633	0.3098723	0.13197596	0.057664845	0.99831617	-0.18878044	-0.4098701	0.7559868	-0.10318571	-0.38500237	-0.9242072	-0.5737632	0.01644713	-0.7560155	-0.46750325	-0.9999871	-0.21825904	0.02005603	0.48290917	0.53079027	0.6230501	-0.5464255	-0.06860188	-0.94353324	0.18881623	-0.6465791	-0.56436956	-0.58567095	0.6635067	-0.19669168	-0.3947577	-0.075144626	-0.6767603	-0.6898786	-0.5870713	-0.5613157	0.35511017	-0.5375966	-0.57744366	-0.45214382	0.5803716	-0.22807096	0.32010823	-0.032188695	0.017909905	-0.6223972	0.091624804	0.3906044	0.124674596	0.005160319	0.3377701	-0.55390376	0.27643076	0.048975684	0.6673174	0.44459075	-0.9863149	0.37860817	-0.3310507	0.42106682	-0.34101954	-0.047665436	-0.2723657	-0.040874667	-0.62598914	-0.44789052	0.08315545	-0.3510254	-0.54642856	0.6533618	0.13310602	0.7449019	-0.45770743	0.49586442	0.032529417	-0.37910154	-0.1518334	-0.10950431	0.29981628	0.72881764	0.050917167	0.40417323	0.21977112	0.33688554	-0.99973744	-0.43632084	-0.388052	-0.10315629	0.2581984	-0.28195855	0.2996213	0.5014071	-0.6172322	0.20417993	-0.48275623	-0.5641261	0.2808809	0.20798996	0.62423927	0.984796	-0.51059043	0.08731954	0.22115771	0.25062528	-0.63077617	-0.1566058	-0.07156433	-0.13019	0.36126673	0.16558631	-0.4202962	0.08291307	-0.7745161	-0.45253897	0.3729755	0.7863611	-0.3979776	0.6774256	-0.5435925	0.37084258	0.15869454	0.34412596	-0.27223492	0.042329464	0.70411074	0.4933327	-0.76567733	0.24830282	-0.59976304	0.05505454	-0.5174999	0.24236625	0.027235031	0.019347213	-0.16682255	0.015528569	-0.11687877	0.048409145	-0.06845608	0.04899557	-0.21130697	-0.57022434	0.58629155	0.76127315	-0.22986063	0.58960116	0.9700213	0.5706938	-0.096739	-0.43037078	0.8532116	-0.26430404	-0.20069793	-0.8631602	-0.070966356	0.51014173	0.991624	-0.03500329	-0.5421439	0.20223114	-0.7334342	0.6521741	0.5681292	-0.2729346	0.224645	-0.16713601	0.69320273	-0.09910925	0.8421332	0.5648485	-0.09232248	0.999998	-0.91817456	0.18621463	-0.23468296	-0.2096228	-0.19877458	-0.29447117	0.49871683	0.0962119	0.43158644	-0.9885159	0.24411367	0.4916998	0.34800747	0.2914984	-0.49085113	-0.012662239	-0.085080326	-0.795101	-0.35962957	0.7967356	-0.045592837	-0.9358763	0.040961683	-0.17119618	0.22766939	0.4979126	-0.12423443	0.016264044	0.4036026	-0.18692364	-0.7762409	0.14783043	-0.29819793	-0.24151099	-0.09488473	-0.22759959	0.270614	0.39474687	-0.46015453	-0.55866164	0.58069223	-0.48166654	-0.41169098	0.032855574	0.09422641	0.23778689	-0.049618725	-0.41105708	0.0953458	-0.14425959	0.45137495	-0.30484504	-0.939277	-0.74196565	-0.6693536	0.75145096	0.17415233	-0.20605263	-0.6285251	-0.80865556	0.9979101	-0.56005836	0.61362845	0.356036	0.3403664	-0.032321233	0.63568825	-0.8257702	-0.006668752	0.3678722	0.030403724	0.82921255	-0.10393375	-0.6325402	0.5495428	0.7063567	-0.36470866	0.38420004	-0.9921159	0.12505914	0.057055168	-0.27744958	0.7414459	-0.41834843	-0.6287302	-0.3220827	-0.6589402	-0.10703626	0.6808082	-0.7337835	0.4191266	-0.03791204	0.8155536	-0.041102342	-0.14149174	-0.11814534	0.021554656	-0.024404025	-0.25881392	0.36351764	-0.26145288	0.609686	0.14653821	0.94687104	-0.7488193	-0.039279573	0.67272985	-0.26949996	-0.583703	-0.51009816	-0.074303426	0.048460245	-0.31322056	0.17257145	-0.08631079	0.3170015	0.39949495	0.48950192	0.4198987	0.9998622	0.26059622	-0.9851768	0.30987367	0.9994967	-0.7299723	-0.22813056	-0.9986461	-0.5339476	-0.5038095	0.16882652	-0.49342197	0.2247743	-0.3687983	0.32928455	0.2416489	0.12966304	0.13721904	-0.7184626	-0.3732766	0.010922166	-0.24214517	-0.9999871	0.9999998	-0.15521125	-0.04048399	-0.012415409	-0.21831805	-0.5797611	-0.43624818	-0.7937747	-0.21995796	-0.6263233	0.3094284	-0.81343585	-0.34168872	-0.26117006	0.6700239	-0.008932002	0.21664476	0.1321763	0.8725411	-0.99981236	-0.000990037	-0.24077342	-0.1750993	-0.5202605	0.52321774	-0.16316664	-0.002225127	0.16508852	0.3295968	-0.36885953	-0.18637511	0.003868359	0.97189134	-0.5507827	0.8058555	0.30957085	-0.688695	0.49138898	0.22042878	-0.12528095	-0.3043248	0.69757444	-0.3295982	0.04742608	0.8623494	-0.4439369	-0.70057464	0.7556627	-0.8083039	0.12612335	0.585223	-0.45745602	0.42484668	-0.4089979	0.99764913	0.32090428	0.002582995	0.20282431	0.1653336	0.14484204	0.99978757	0.6498563	-0.618007	-0.50222516	-0.41915202	0.3414733	-0.24476707	-0.9950859	-0.6620273	0.5605672	0.63237786	0.8361871	0.65848833
633	0	Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C	-0.38045573	-0.28749782	-0.7971066	-0.45519942	-0.7492638	-0.058616832	0.23219599	-0.20792805	-0.13246216	0.33365613	-0.7270219	-0.6492761	0.30467036	-0.23107022	-0.40854973	-0.5580532	0.19115224	-0.013219862	0.055910513	-0.100326344	0.67158663	0.25750613	0.4447945	0.40696904	-0.3658838	0.8589279	-0.67543554	0.12530468	-0.625718	0.77734864	-0.5696808	0.099611945	-0.5074003	-0.6610011	0.24047199	-0.41682416	-0.47632888	0.1632556	0.9925136	-0.834617	-0.9281807	-0.031215053	0.46029148	-0.20506322	-0.16170138	-0.6894155	-0.07604726	0.62090206	-0.075162575	-0.45363405	0.2925868	0.19159237	-0.050927907	-0.80864793	-0.24413863	-0.18144232	-0.23377478	0.0549409	0.008801567	0.47533682	-0.19239601	0.30501854	0.47675818	-0.006394734	-0.23548038	0.18779206	0.14538126	0.39871448	0.59998196	0.30075696	-0.9931519	-0.9199946	0.27331477	-0.8757213	0.35310265	-0.10825797	0.51958954	-0.5044056	-0.48303387	-0.99751914	-0.34728652	-0.22494352	-0.9149797	0.43817368	-0.051807456	-0.80826014	-0.049444016	0.76707256	-0.34458315	-0.24386656	-0.16045	0.09235309	0.7993813	0.10265585	0.99886614	-0.5896296	0.062343277	0.6622178	0.7703754	0.3799612	0.31954354	0.08141579	0.18977022	0.83842105	-0.94482017	-0.95157236	-0.24147904	-0.1302576	-0.9998795	0.003919033	-0.25338104	-0.2917395	-0.76105744	-0.15901938	0.08983324	-0.021992186	-0.28420496	0.4358761	0.99523824	-0.23573893	0.10735351	0.2338414	0.53983295	0.3175072	-0.46382284	-0.014945379	-0.18781427	-0.73570454	0.047048062	0.99908084	-0.42860153	0.16214052	0.18719567	0.36560473	0.02791697	-0.9421772	-0.5882618	-0.33430305	-0.6946012	0.338273	-0.9999601	-0.3420903	0.737114	0.21393578	-0.4723197	0.70463294	-0.0927292	0.012831561	-0.32805064	0.13815545	0.060118318	0.41645065	-0.10877323	0.38635314	-0.41526735	-0.02206308	-0.002932633	0.7485037	-0.7699624	0.03802665	-0.9100343	0.029310657	-0.32524526	0.43426245	0.007366948	-0.22106765	0.22641815	-0.43922827	-0.18418145	0.5559979	-0.62840956	0.09218243	0.20812494	-0.53500515	0.42946362	0.097629614	-0.6015711	-0.19238643	-0.70573735	-0.014177165	-0.76130885	-0.95146996	0.40710667	0.038440555	-0.3171228	0.15954888	-0.10258736	-0.4013748	0.43390986	0.47237244	0.79600286	0.66733456	0.66610616	0.2631655	0.03443662	-0.16260166	-0.05086083	-0.25674754	-0.6754729	-0.28660643	0.40691733	0.5204716	0.08094879	-0.21689758	-0.85881096	0.09573033	0.1783025	-0.042792693	0.7063887	-0.99936324	0.4824267	0.17607634	-0.14923412	0.33841833	0.5859775	-0.7467635	0.21010002	0.48412713	-0.07334967	0.073327534	0.18346502	0.052177694	-0.23946184	0.011392151	0.9925819	0.82190263	0.15858348	0.29646227	-0.25561807	-0.2509113	-0.1682338	-0.24373591	-0.39780098	-0.5303076	-0.054557312	0.3419107	-0.73479843	-0.30845925	0.19286501	0.092592925	0.9161162	0.0802238	-0.20138451	-0.3551836	0.51103234	-0.4998949	0.1702491	0.84601027	0.30656993	-0.21595678	-0.4771024	-0.9789811	-0.4929229	0.030113261	0.42815778	-0.27931014	0.5258596	0.59131974	0.08113905	0.072614454	-0.62813175	0.45769015	0.57848155	-0.5110808	-0.25165263	0.49400768	-0.6095894	-0.4718313	0.9233662	0.41750354	0.40283516	0.9775525	-0.6103109	0.5599156	-0.4061705	-0.12866105	0.5577318	-0.042551998	-0.16658165	0.4591261	0.68281275	0.99745154	0.16252053	0.58446044	-0.050902333	0.4253161	0.036166664	-0.78575945	-0.95251304	-0.19810766	0.16832373	0.9762478	-0.7502719	0.68999285	0.2658229	0.3299158	0.9999828	-0.9517822	0.0846584	0.3005087	0.4617786	0.020997787	-0.72709864	-0.5557818	0.57432353	0.81479734	-0.6663534	0.6665107	0.34839532	0.33705163	0.31496897	0.58875704	0.1809971	0.001883423	-0.013672058	-0.038036477	-0.45469925	0.02610854	0.972359	-0.41498664	-0.3852152	0.43916735	0.39094839	-0.53281635	-0.029422056	0.11372733	0.6683219	-0.85096836	0.49088347	0.4920116	-0.10155561	-0.6787316	0.25214878	0.42463133	0.39486817	-0.033620358	0.5195886	0.7186897	-0.029337721	0.08809803	0.51498175	0.18679035	-0.21628001	0.020487562	0.12798785	-0.4211106	0.75346684	0.06494549	0.30751124	-0.40237343	-0.9535587	-0.5215662	-0.58315384	-0.23740824	0.40827	0.39620662	-0.5836676	0.9996517	-0.72178423	-0.083101414	0.24109446	-0.5407198	-0.035360046	-0.50516057	-0.43670714	-0.19814679	0.69840425	0.29423028	-0.47902644	-0.10740536	-0.26737228	-0.033007838	0.37784535	-0.7226958	-0.43892896	0.99769133	0.19580127	0.23705229	-0.7018419	-0.059774525	0.14901605	-0.26816198	-0.2255511	-0.5711921	-0.26128843	0.33039743	-0.3795515	0.12501869	-0.561055	0.81096387	-0.3828466	0.75184536	-0.7162704	0.5173616	0.613383	-0.35238025	0.07072792	-0.04788873	-0.083686635	-0.031026252	0.53205234	0.55564296	0.3098359	0.04767925	0.11653139	-0.060060993	0.45422292	-0.07765712	0.38854894	0.60062313	0.14403366	-0.03168609	-0.07459389	0.14518662	0.19051331	-0.46352738	0.9325544	0.28681982	-0.9729317	0.2548212	0.9975457	-0.4607428	0.5322944	-0.9570639	-0.30870652	-0.4428451	0.16750804	0.33467668	0.31637722	0.8399209	0.39162764	-0.2880022	-0.009788475	0.024932116	-0.2810306	-0.45292854	0.6793829	0.543706	-0.99996334	0.9979069	-0.80449283	-0.45091328	0.5017543	-0.4861046	0.13113432	0.1791743	-0.61844575	-0.03157818	0.2870831	-0.7120042	-0.1314507	-0.28122798	0.2364608	-0.5211857	0.5632649	-0.31062907	-0.37977317	0.119984336	-0.99979496	0.4546	-0.23911655	0.37958524	0.3041991	0.16194473	-0.67541003	0.7585887	-0.3450448	-0.5828055	0.3926852	-0.5815691	-0.8484352	0.9930185	0.39670572	0.83692294	-0.6720811	0.006379895	-0.08767236	-0.5740955	0.7510874	-0.45908216	0.029218465	0.15433471	0.72274244	0.000674439	0.6680544	0.4394898	-0.3914603	0.02053765	0.061343934	0.63404876	-0.17399782	-0.21660608	0.6148309	0.98063934	-0.72580737	-0.6122441	-0.2429838	-0.0091824	-0.10824169	0.9999969	0.8402654	0.4058966	0.37597284	-0.2342441	0.6465457	0.509743	-0.99281174	-0.51029575	0.3711771	-0.12050345	0.013114183	-0.68592423
634	0	CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1	-0.7810634	0.14167972	0.12295179	-0.019024324	0.5170244	-0.078183	-0.54836804	0.24572328	-0.074755765	-0.41452125	-0.9052068	-0.35762182	-0.26224387	-0.80721116	0.34993237	0.22889143	-0.5945803	0.082300335	-0.15253074	-0.25552735	0.13378835	-0.5936775	0.50148684	0.004504821	-0.23462373	0.46909928	0.09866452	-0.21778665	0.7735606	-0.24530181	-0.4951803	-0.37607858	-0.4190391	0.08375048	-0.19287807	-0.54347795	0.41909578	0.18833247	0.9930129	-0.7608408	-0.70399225	-0.1067921	-0.57696617	0.3038631	0.16472794	-0.87864	0.7663836	-0.16587141	0.9015602	0.2823198	0.3818641	0.20573254	-0.57516146	0.61384994	-0.9082799	0.037778664	-0.5097559	0.48632464	0.30916354	0.65059334	-0.6280317	-0.15518647	0.2890388	-0.49233449	-0.26571825	0.22331417	-0.7860943	0.36318454	-0.18195531	0.031528067	0.109709546	-0.098163776	0.087118074	0.11085241	0.8719921	-0.08636791	-0.39203805	-0.28888875	-0.24513927	-0.99685663	-0.88155687	0.22071037	-0.87307495	-0.01530869	0.005607503	-0.9401549	-0.53126633	0.07513266	-0.23225088	-0.50081724	0.6744172	0.6071049	-0.26467836	0.06509217	0.6775155	-0.5430484	0.8257846	-0.08952445	0.20630826	0.121253125	-0.2111964	0.39524844	-0.3157616	0.8971263	-0.93765914	0.47517535	0.14665855	0.3243739	-0.99934024	-0.33593908	-0.6659529	-0.021004975	-0.23535427	0.045274287	-0.17799616	0.45735922	-0.08594014	0.49990368	0.99465406	0.43434873	-0.35343108	-0.053336322	-0.70694697	0.43909657	-0.6706976	-0.15238562	0.38595587	0.058498982	0.26998794	0.99995166	-0.11069925	0.3481966	-0.48574567	0.05229692	-0.48140258	-0.78509027	0.44091797	0.88464665	-0.7674618	-0.5791386	-0.99992126	0.38099512	0.9829915	-0.018958785	-0.007883325	-0.51832956	-0.18484014	-0.39967698	-0.26642978	0.16625826	0.22870658	-0.9112657	0.82249695	-0.025965223	0.3595653	0.45077512	-0.42665166	0.7463847	-0.7973465	0.046152286	-0.93496925	-0.08330102	-0.45777747	-0.29306665	0.035800356	0.49844062	0.85713506	-0.4520105	-0.40748453	-0.6546565	0.09939625	-0.032843295	0.43061528	0.27386597	-0.3326061	-0.9774812	-0.8883621	0.24848905	-0.40534896	-0.57544076	-0.10097878	0.2051568	-0.3099261	0.7829902	0.19453707	0.17205799	-0.035922065	0.26273268	-0.34644327	-0.241631	-0.08764999	-0.017894443	0.48231786	0.51391274	-0.26311377	-0.46644688	-0.19167031	0.66345	0.3741423	0.5972857	-0.37252536	-0.21793774	0.54434186	0.09014001	0.20614053	-0.25713047	0.57118946	-0.22539541	0.35897988	-0.9997893	0.07691105	0.66748655	0.62393165	-0.20850651	0.50140417	-0.26083583	-0.7276189	0.497832	-0.63695663	0.048898563	0.1646228	-0.026371233	-0.5376832	-0.38277522	0.9999116	-0.16582964	-0.26582202	0.20099239	0.4428022	-0.042355027	-0.6593023	-0.8229189	0.58927155	-0.08633707	0.56259584	-0.22196192	-0.09177364	-0.6274916	0.18870509	0.49997783	0.80796456	0.7503237	0.58288443	-0.53903675	0.082305714	0.56711024	0.5430831	-0.097463585	-0.7575407	0.16174936	-0.34781817	-0.9747987	-0.5303168	0.7070093	0.60613847	0.08439652	-0.5589894	-0.09616267	0.27712014	0.33451024	-0.46095765	0.49860728	-0.21429892	-0.29752165	0.17964567	0.10557818	0.31400508	0.42073685	-0.790866	0.33586508	-0.7163768	0.9803022	-0.11715987	0.10435116	0.53039736	-0.51256704	-0.13408795	-0.45768568	-0.22024837	0.3506868	0.63729775	0.9986576	0.21692966	0.34489542	-0.25618735	0.18470916	0.29910323	0.31029037	-0.1078199	0.08088477	0.15545799	0.98177946	-0.13059439	0.28037572	-0.47054124	-0.81872755	0.9999731	-0.99815726	-0.2128184	0.563909	0.4864186	-0.41991323	-0.57889795	0.37143025	-0.0909815	-0.98418266	-0.5755765	-0.11746844	0.55448556	0.2878656	-0.29630288	-0.58547515	0.5049236	-0.41773635	0.82752913	-0.7232044	-0.7140437	-0.06252254	0.97608924	0.4271873	-0.2978975	0.11355213	0.5240692	-0.80939704	-0.5165601	-0.5277316	0.42357457	-0.9375944	0.055313073	0.261972	0.276981	-0.15528865	-0.124644876	-0.12267268	-0.32846668	0.91783905	0.040767044	-0.34857407	0.060390614	0.05687555	-0.60587937	0.58941865	0.3832244	0.33968118	0.076024175	-0.099080205	-0.5704693	-0.7055463	-0.268086	-0.27014762	-0.9768232	0.26069126	-0.54444784	0.4632858	0.065301426	0.12999097	0.27545616	0.99988335	-0.25781256	0.23328446	0.023520298	-0.32996967	-0.09754817	0.5188994	-0.93749917	-0.30270728	-0.36019433	0.07222424	0.028872794	0.8408688	0.31459546	0.28708842	0.041749563	0.67315125	0.68032986	0.9940808	0.6818783	0.1420456	0.44940406	0.29917896	-0.58828413	0.44083357	-0.47039706	-0.71803486	-0.35902232	-0.23599379	0.36288187	0.40803954	0.2669258	0.21657617	-0.38356054	0.6613509	0.1540874	-0.28147623	0.12191361	-0.5113204	-0.72930557	-0.9271424	0.5801554	-0.4206536	-0.8597323	0.45843023	-0.22181877	0.14056084	-0.21479098	0.10057917	0.063305005	-0.6725608	-0.3868355	-0.15930645	0.2625682	0.47493905	-0.579546	-0.045498062	0.39791813	-0.48390606	0.8679044	0.21484925	-0.9620921	0.1686606	0.99925166	-0.036036946	-0.21870731	-0.9830412	0.29944688	0.12661533	0.5512696	0.031446923	-0.45094955	0.7273289	-0.85424775	-0.88381976	-0.06177435	-0.08623679	-0.26452294	0.26422626	0.51604044	-0.055092458	-0.9999584	0.9940246	-0.72037584	0.2911966	0.20786084	0.50281227	0.28231093	-0.8149483	-0.2083719	-0.4710412	-0.12329174	-0.37333682	-0.75035673	-0.32173374	-0.4340602	-0.44009894	-0.04269755	-0.49648395	-0.008607911	-0.17061782	-0.99988276	-0.6798458	-0.5233739	-0.46807432	0.6782203	-0.330295	-0.9913765	0.007859433	-0.75513333	-0.100700386	-0.65905225	0.12441545	-0.64471626	0.94892263	0.099002406	-0.6352616	0.30588388	0.75502205	0.003985995	-0.91568327	-0.5442911	-0.40464765	-0.4737252	-0.517995	-0.9332671	-0.19236363	-0.08519485	-0.22154117	-0.13054858	-0.7240219	0.035042197	0.5448305	-0.52187353	-0.026603024	0.38270193	0.9703307	-0.119673125	-0.5173922	0.33204374	0.10643091	0.19501263	0.9998977	0.5096575	-0.5966535	-0.2593798	0.5004236	0.5682719	-0.37362215	-0.98451453	-0.2616166	0.8453789	-0.17990203	0.47009328	-0.2964121
635	1	Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1	-0.7718247	-0.5460632	0.10536828	0.4813564	-0.39776176	-0.68801045	-0.7802542	-0.1999925	0.74556255	-0.8534353	-0.6901413	0.14226764	0.24313758	0.024014609	0.74058723	-0.70710564	-0.65872276	0.3097465	0.027667468	0.04266684	0.55245197	-0.21767841	0.41031218	-0.034090597	0.21666607	0.31165817	0.362488	0.009365896	0.7936459	-0.53901774	0.27119032	-0.031719208	-0.28854537	0.76280224	0.22816163	0.24063145	-0.117529415	0.87449735	0.98981744	-0.9334817	-0.93239814	-0.08024537	-0.0000892	0.056325916	0.059281163	-0.91732687	-0.32977837	0.055636104	0.99280447	-0.008528708	-0.6662224	0.24672274	-0.31263933	-0.3676622	-0.96361893	0.11984644	-0.6751639	0.2370162	-0.013540166	0.33333802	-0.08813145	-0.19298042	0.35635138	-0.019139878	0.32545695	0.66811323	-0.7124381	0.05930985	0.5378391	0.30694437	0.53605694	0.74600494	0.35434267	0.012868214	0.96621335	-0.83955455	0.21741308	-0.16542405	0.15509826	-0.993019	-0.31127983	0.1252756	-0.7625749	-0.55339766	0.19636606	-0.97543335	0.3690967	-0.34631857	-0.80080485	0.19762783	-0.04093612	0.16550717	0.6946982	0.45004752	-0.35004652	-0.35540882	0.9585963	0.329406	0.56247616	-0.5218504	0.48836443	-0.40888464	0.18586875	0.6785233	-0.91566026	0.57778037	-0.3492104	0.41968125	0.9833427	-0.44041407	-0.15113145	0.18548268	-0.54532796	-0.5863925	-0.5169178	0.58398986	0.15532397	0.7586249	0.997046	-0.3638754	0.1953254	0.43206784	0.3620305	-0.18744373	-0.24019022	0.69063973	0.5106681	-0.34964788	0.10696398	0.9999957	-0.2534302	0.26075205	0.6372194	-0.30358854	0.6665399	-0.92581326	0.35433495	0.82463855	-0.56955945	-0.09758524	-0.9999312	-0.2871577	0.99657327	0.05689821	0.6017592	-0.2398465	-0.15055636	0.07991926	0.038460616	-0.12021647	-0.6376305	-0.69214475	0.48604208	0.07376842	-0.20287162	-0.0982493	-0.20790884	0.8851491	-0.8357495	-0.57792217	-0.8845254	-0.20458458	0.10265393	-0.36526772	0.63754404	0.44880912	0.27764344	0.2402369	-0.09403008	0.26137713	-0.8093937	0.1512217	-0.5435669	-0.037844617	0.26445627	-0.97711724	-0.85859823	0.50858337	0.23466288	-0.029200308	-0.001437695	0.8922101	-0.50556767	0.39161924	-0.58257884	-0.13005461	0.8513294	0.34885553	0.12418877	-0.41211116	-0.2827031	0.26611823	-0.055224765	0.49264696	-0.15991215	-0.056429382	0.6581394	-0.54175603	0.80015063	0.6046133	-0.167619	-0.5524652	-0.66749245	0.21178806	0.3719421	-0.4529496	0.38010466	-0.35792986	0.59566903	-0.99962807	0.009306588	0.5197318	0.032695275	0.1867026	-0.28669566	-0.35773492	-0.6151601	-0.013497209	0.032743473	-0.38086727	0.32249653	0.43640924	-0.6625867	-0.6917656	-0.97190696	0.3427675	0.64642864	0.29065603	0.11559766	0.5565303	-0.39353305	-0.10981615	0.2688899	-0.319132	0.44211817	-0.36077964	-0.57493585	0.45862854	-0.48572594	-0.11057539	0.81917596	-0.55498266	0.54822314	0.002371167	0.37119853	-0.20094857	0.37485373	-0.20793313	0.23006327	-0.5216282	-0.13518187	-0.97814316	-0.77037907	0.7278595	-0.012237081	-0.28325292	0.6978211	-0.052242428	0.41507512	-0.09298586	-0.40237057	0.1920163	0.49813735	-0.4939149	-0.20944071	-0.36266	-0.40647686	-0.60278285	0.3069755	0.8342056	-0.6926233	0.93898666	0.11852066	-0.4893643	-0.5777429	0.9331999	-0.07197429	-0.6162391	-0.48716027	-0.64142376	0.5888304	0.9983305	0.51148176	0.6677219	0.19724433	0.24152441	-0.63243496	0.95980525	0.9572121	-0.27680764	-0.12093678	0.9867001	0.38579285	0.62965816	-0.23534548	-0.8672084	0.99990565	-0.9997031	0.29062605	0.76279145	-0.123650014	-0.7172233	-0.48393703	0.38213167	-0.23653391	-0.91648424	0.057142057	0.52257764	0.5734562	0.16895704	0.21034735	-0.053641185	-0.5791726	-0.032717984	0.961389	-0.7740496	-0.14960498	0.048116144	-0.9997749	0.3103792	-0.49672043	-0.20885898	-0.027697893	-0.5462252	-0.60442287	-0.6694255	0.83926564	-0.97787994	0.64967173	0.30509785	-0.2477578	-0.44657287	-0.37436178	0.054919988	-0.000185067	0.9912639	0.3894398	0.18435146	-0.46697277	0.68984026	0.16829416	-0.85404754	0.13475734	-0.22026853	0.036865145	0.63648695	-0.40121815	-0.4580049	-0.8209094	-0.16590106	-0.9834655	-0.122417524	-0.54124546	0.06173832	0.31996217	-0.1394418	-0.2930273	0.9998098	-0.21972288	-0.055713087	-0.27059403	-0.76709193	0.5524492	-0.018544693	-0.9486792	-0.25240293	0.7981943	-0.247419	-0.46584216	0.003245859	-0.42609876	0.009093553	0.47469738	0.64951414	0.038727786	0.9944803	-0.2088046	-0.3362783	-0.1562021	0.583292	-0.7594785	0.6799099	-0.6098185	-0.7068089	-0.8462241	-0.23639107	0.31267112	0.5398248	-0.025577826	0.39068955	-0.22832562	0.32806522	0.041289486	0.50377953	0.32654643	-0.27910006	-0.7414288	-0.88727754	0.77635187	-0.9137667	-0.96001816	0.14222984	-0.034420203	0.3210896	-0.39930972	-0.5579133	-0.5964816	-0.4923805	0.599168	0.74421513	0.77508783	0.3832712	0.46001256	0.77486753	0.2664349	0.3069017	0.9999986	0.32020974	-0.9812329	0.8630369	0.99867404	-0.7281527	-0.68982965	-0.9998314	0.23810904	0.17971571	0.64544547	-0.57816315	0.26599452	-0.1487663	0.23768152	-0.9047457	-0.16835609	-0.45305142	0.25930092	-0.08971345	0.38713214	0.075995594	-0.9999901	0.99442667	-0.9117546	0.4504028	-0.5883327	-0.19465934	0.48587498	-0.84916925	-0.81967676	0.6970447	-0.4480342	0.07618194	-0.8177293	-0.30408815	0.14842932	-0.71331495	0.06781132	0.30519086	-0.18057925	-0.04421279	-0.99988556	-0.22868848	0.019950386	-0.420858	-0.022013355	0.5261068	-0.9992668	-0.44295594	-0.62723166	0.060887326	-0.10481237	0.12356332	-0.36527482	0.9285842	-0.483792	-0.29017058	0.3073762	0.44171217	0.32777637	-0.8669327	-0.8052518	0.77070254	-0.13717766	-0.9343266	-0.94887596	0.034313593	0.37556204	-0.19324973	0.09525345	-0.3484334	-0.25055373	0.7468417	-0.5334556	-0.23477222	-0.23417136	0.9283498	0.070418425	0.5288413	-0.45216358	-0.31846234	0.25427818	0.99852633	0.8363775	-0.3487873	-0.1899215	0.006125935	0.5528093	-0.11802896	-0.95945984	-0.3284291	0.84835196	0.39967	0.28741384	0.061157648
636	1	Cc1cc(N=Nc2ccccc2C)ccc1N	-0.21375498	-0.122199945	0.67194027	0.45845821	0.07998928	0.06827907	-0.14978348	0.2993342	0.057461884	-0.12211553	-0.9118906	0.41260865	0.13604873	0.13031213	-0.55010265	0.033422127	-0.16405782	-0.34212974	0.057088625	0.15378438	0.6229592	-0.5708122	0.36535934	0.7440427	0.1560511	-0.20127648	0.30712324	0.17116806	-0.39570245	0.014228092	-0.24301997	0.4256131	-0.35265586	-0.016421366	-0.5421466	0.12339808	0.30461287	0.592535	0.95684314	-0.92851037	-0.9651833	-0.4237873	-0.4754944	0.008358993	0.4774735	-0.9703666	0.089126974	-0.15090467	0.9588209	-0.11253943	-0.47624645	0.24508364	0.43854478	-0.38414598	-0.8730489	-0.052963417	-0.8355498	0.82100815	0.6725484	0.22855937	-0.122351944	0.21074377	0.41661823	-0.2226764	-0.13281523	0.5935423	-0.15453471	0.40290117	0.43202028	0.49761713	-0.28985628	-0.65985775	-0.03491925	-0.66422725	0.42926586	-0.5371554	-0.41232374	-0.5169528	-0.13936855	-0.989705	-0.48845336	0.35248017	-0.84431815	0.45730603	0.68960166	-0.88218874	0.08699579	-0.16882534	0.029882755	0.14926268	0.278225	0.3261321	0.1860044	0.52080035	0.98378825	-0.13317564	0.14384593	0.4724542	0.43383658	-0.38923284	-0.25728676	-0.78069896	0.27031425	0.85868305	-0.2369683	-0.5813207	-0.27622837	-0.23864408	-0.91311496	-0.4878729	-0.4661801	0.24538891	0.12570672	0.54724383	-0.39458612	-0.5049143	0.69449836	0.31849512	0.99631774	-0.7064614	-0.17567973	-0.45869556	-0.24226663	-0.36402845	-0.5662016	-0.10417187	0.17857781	-0.06652462	-0.08000762	0.999924	0.12806475	0.006246626	0.21351917	0.08910925	0.20231	-0.55706954	0.3303593	0.526639	-0.4250766	-0.3716438	-0.9997362	0.6201738	0.9766154	-0.31215087	-0.41962007	0.063733846	-0.43366998	-0.016401429	0.74360913	-0.28537494	-0.26637954	-0.33459422	-0.42212626	-0.028418755	-0.2471175	0.41470596	-0.13752042	0.9780625	-0.45854264	-0.6699402	-0.9578375	0.07483056	0.07912671	-0.251819	-0.2771139	0.22350737	0.41362014	-0.68152976	0.20300502	0.530609	0.07912592	-0.34926707	0.45315763	-0.46094114	-0.36507717	-0.87378144	-0.79624766	0.30992144	-0.37985954	-0.34800622	0.718244	-0.56515545	-0.37990394	0.15280285	-0.5225642	-0.24236107	0.37065035	-0.42746338	0.35641226	-0.16420737	0.11564898	0.19851767	-0.41697237	-0.33843556	0.071271904	-0.36794952	0.30963826	-0.16623034	0.071947984	-0.09468903	0.48928326	-0.84936005	-0.78068	0.01578221	0.06695998	0.10084889	-0.50658613	-0.37901524	0.60229105	-0.9992247	0.40631807	-0.3513303	0.2880406	0.17340544	0.6125084	-0.1827865	0.14285944	0.14667316	-0.17826359	-0.45574182	0.6771361	0.3004939	-0.4104813	0.62230164	0.97678703	-0.38283116	-0.48670968	0.21760415	0.66502476	0.49164432	0.07459073	-0.45932516	0.43200338	-0.67877656	-0.08923924	0.34902886	-0.13103145	0.24694034	0.31395704	-0.19311579	0.95286006	-0.6135148	0.070890985	-0.63405246	0.77492267	-0.4932385	0.19126771	0.34655845	-0.3797738	0.20810176	0.14823145	-0.9733624	0.5338124	0.7577183	-0.1828027	0.64907426	0.13168973	0.28676116	-0.09217031	0.03091226	-0.15991709	0.725223	0.30221346	0.10641349	0.36886972	0.45946276	0.29326606	-0.5148605	-0.95718014	-0.3000898	0.15981205	0.9474566	-0.5625774	0.027000932	-0.14852706	0.07168535	-0.3540736	0.03310097	0.015068123	0.67953426	0.42448428	0.9989672	-0.122221656	0.45385742	-0.032850172	0.39789847	0.21789764	0.72896725	-0.002744846	0.44058883	-0.79473466	0.99602044	0.060411077	0.19717033	0.07899028	-0.008819195	0.9999052	-0.9867024	0.09622578	-0.33464792	-0.17043352	0.5575498	-0.7485695	-0.6080459	0.6493415	-0.65201837	0.73184466	0.5709476	0.6316137	-0.5105934	0.26013607	-0.64143634	0.40063044	-0.46778294	0.83337265	-0.50251585	0.61041015	0.0158549	-0.99026847	-0.008868738	-0.4123337	0.57219994	-0.33404067	-0.884735	-0.5038675	0.121617325	0.82120544	-0.93267864	0.5783487	-0.53114814	0.6186093	-0.2968691	0.11375063	0.50057566	0.30363894	0.7032098	0.47695535	0.093792036	-0.13883273	0.21992818	0.26189545	0.10305999	-0.51333034	0.50784284	0.060958616	0.5464395	0.40585297	-0.47515842	-0.16158375	0.51080215	-0.9934528	0.06409616	0.013472969	0.59696037	0.4731897	0.7365555	0.28180683	0.9996199	0.16476597	-0.5131221	-0.08457826	-0.59025675	0.47411224	-0.44255817	-0.87222624	0.5846971	0.38367093	-0.48011363	-0.4436271	0.34113428	-0.22414729	0.101019695	0.40203157	0.5952398	-0.33162037	0.99884653	-0.32986927	0.12388252	-0.3327248	0.028114254	-0.18909565	0.12768662	0.3305213	-0.15260479	-0.092725694	-0.29958284	-0.44686633	0.41051993	0.17033643	0.76549244	-0.1980312	-0.5227452	0.55834794	0.42836973	0.061863612	-0.09502889	-0.038387932	-0.50964135	-0.20919546	0.11726712	-0.65950066	0.002658776	0.2696257	-0.2910378	0.4766037	-0.6306337	-0.10026239	0.6587275	0.3331947	-0.16769083	0.69160044	0.1609103	-0.29236916	-0.48359206	0.22183877	0.102783285	0.99997747	0.23481384	-0.9748317	-0.71584207	0.9987704	0.32032612	-0.49554598	-0.9996486	0.04869022	-0.11658829	0.39923808	-0.2643901	0.11360444	-0.5875375	-0.36553305	-0.23929021	-0.49100792	-0.44935203	-0.26213467	0.18382712	0.16402222	-0.34468275	-0.99987644	0.9912727	-0.9476238	0.16863887	0.2667576	0.75847894	-0.876083	-0.75340974	-0.61551577	0.68398935	0.19049372	-0.1908719	-0.9062963	-0.101221375	0.42830032	-0.3607463	0.36691612	0.3544823	0.39111453	-0.7510904	-0.99981874	0.1292134	0.14837003	-0.33740216	-0.49265876	0.08018846	-0.96523106	0.23148233	0.35274005	-0.5032198	0.2781674	0.175379	-0.58194065	0.977461	-0.17785785	0.08531824	-0.30647972	0.3250431	0.44894272	-0.45378762	-0.10071438	-0.28154916	0.4593323	-0.013454531	-0.6457013	0.36453578	-0.08299471	0.5363683	-0.20155215	-0.43348694	-0.07347797	0.7366823	0.2505587	0.7231668	-0.6597914	0.7618077	0.17435768	0.44577348	-0.34041193	-0.6137079	0.4087444	0.9996669	0.5112678	0.5896565	0.027331155	0.12853512	0.28852788	-0.23650935	-0.8863873	0.54033905	-0.77330995	-0.18282339	-0.029450307	-0.30599242
637	0	Cc1ccccc1O	-0.45768106	-0.12128942	-0.15886797	0.6541596	-0.070321634	0.13046297	-0.5723991	-0.15316573	-0.21787383	0.17851828	-0.6718587	-0.5589683	0.20978871	-0.6856681	0.090987116	0.3088101	-0.4692504	0.11725297	0.2148083	0.18137467	0.32851192	-0.9095209	0.44527036	0.38270435	0.12811446	0.25261673	0.24267839	-0.3217103	0.11791188	-0.16082035	-0.531468	0.62571883	0.031030407	0.05436039	-0.47561878	0.018376358	-0.032105036	0.7196339	-0.87649435	-0.93386793	-0.9916432	-0.5522535	-0.08668898	-0.3517302	0.3073368	-0.99195397	0.34564906	-0.20076682	0.96549	-0.5410088	0.07151079	-0.09612231	0.31959024	0.4489629	-0.945619	-0.24694076	-0.4901401	0.9653688	0.33115026	0.2347591	-0.6129062	-0.06168343	0.5469896	-0.12916721	0.56625205	0.37819	0.21436271	0.33965063	-0.11684054	-0.026620613	0.90251267	-0.988147	-0.063357845	0.4340262	0.3403331	0.45069456	-0.5824701	0.15525746	0.19112058	-0.987428	-0.7911836	0.16133279	-0.8601249	-0.27495214	0.41559285	0.73516226	0.32459623	-0.20372538	0.01719852	-0.023165535	0.4382207	0.1595503	-0.14622074	-0.5177649	0.15199913	-0.26718923	-0.0683465	0.21721302	0.6804924	-0.18973644	0.11265059	-0.2951365	0.17958716	-0.83531237	0.98897755	0.2864975	0.5793846	-0.04807613	-0.6990039	0.25973967	-0.28781852	-0.001864618	0.33029336	0.09960752	-0.03680518	0.5208723	0.6834827	0.3266101	0.9909128	-0.28366143	-0.004288032	-0.33223283	-0.12581934	-0.37266827	0.17825072	0.0902085	-0.38782343	-0.053005986	0.02254847	0.9972496	-0.32447767	0.033109922	0.068930246	-0.23978409	0.16828673	0.50634474	0.5811722	0.32388765	-0.50672364	-0.0441856	-0.99643546	0.16813947	0.98545337	0.47518277	-0.08244005	0.18398125	0.5031205	-0.22955966	0.99643034	0.3663658	-0.07955326	-0.32671866	0.03991321	0.096964896	0.091749586	-0.54494387	-0.09919689	0.99736863	0.08814962	-0.8401267	-0.9788273	-0.30637276	0.29437307	0.43178782	-0.0365903	0.03823822	0.54771626	0.44958538	-0.040252328	0.3953017	-0.75109476	-0.24444701	-0.07188124	-0.19614285	-0.13545576	-0.97802013	-0.8364713	0.08191233	-0.28088307	-0.46402916	0.44604695	0.32090622	0.025752498	0.28610805	-0.92942333	-0.30381352	0.19331709	0.3393488	-0.3234192	-0.11794494	0.7163681	0.62838143	0.07396096	0.47238782	0.1511198	-0.4375154	0.33008337	-0.58107895	-0.095792435	-0.3197604	0.08347383	0.15049802	-0.58816385	-0.026034407	0.44133806	0.078242555	0.6899709	0.38828957	-0.44415507	0.52811474	-0.14698228	0.021068677	0.34560493	-0.31999958	0.25382024	-0.18966238	-0.107712306	0.45622027	0.18342721	0.34376162	-0.2261737	-0.24499726	-0.04388586	-0.077396914	0.98800784	-0.46114692	0.02315987	0.18103947	0.087358035	-0.48358065	-0.17751811	-0.66457254	0.707942	-0.58103746	0.16692686	-0.58093864	-0.5669973	0.37496442	-0.013405668	-0.2628661	0.8746898	-0.45232353	-0.3927533	-0.44363856	0.67530584	-0.48390213	0.22897077	0.6431101	-0.27319962	-0.0386982	0.012076546	-0.99035645	-0.31240642	-0.16017687	0.28455272	-0.16363724	-0.033129215	0.26887494	0.49815333	-0.012013896	-0.41884086	0.548566	-0.096470006	-0.21784438	-0.054165706	-0.025567988	0.061260726	0.000647485	-0.6665071	0.54280186	-0.19249143	-0.97507435	0.08845579	0.073260136	0.45881772	0.4166182	0.19853637	0.04704634	0.007033697	0.7292724	-0.044875436	0.99548817	-0.033868033	0.80442065	-0.30947924	0.42156455	-0.4471091	-0.43163034	0.3320189	-0.32667735	-0.50584906	0.99651724	0.3437933	0.7624238	0.05992526	0.10571256	0.99872386	-0.71254325	0.095947154	-0.24050958	0.2019702	-0.014018871	0.21131396	0.09756448	0.2804066	-0.36743298	0.9987452	0.18748823	-0.3648989	-0.33805317	-0.4515042	-0.59524304	0.48168406	-0.11543081	0.908306	-0.4676105	-0.013073789	-0.20373765	-0.9729735	-0.008721398	-0.20826377	0.7753918	0.053640924	-0.36806828	-0.65150774	-0.31200564	0.4185489	-0.9140309	-0.34489155	0.34984133	0.29373068	-0.26259196	0.55727446	-0.018371733	0.3061116	0.21253186	0.2525822	0.15748581	-0.60620016	-0.523879	0.2609446	-0.16487786	0.2777617	0.60030675	0.40363246	0.617688	0.25450397	-0.14476623	0.27008986	0.94941485	-0.98552924	0.38337862	-0.65926343	-0.026006345	0.10798811	-0.006041	0.17291959	0.7394465	-0.25722852	-0.5059568	0.29989186	-0.03216003	0.15834484	-0.054486424	-0.73653704	0.29929328	-0.008741766	-0.7964948	-0.14226799	-0.20312029	0.5291243	-0.4644846	0.39291975	0.970923	-0.23630491	0.99999976	-0.07040199	-0.023734933	-0.3260141	-0.2540715	-0.9404772	-0.1976339	0.21303256	-0.3977484	-0.44480893	-0.49705806	-0.0968638	0.031792838	0.12744465	0.5892555	-0.15580986	-0.059298627	-0.34074157	-0.2002142	-0.4149404	-0.07587201	0.12982544	0.575594	0.83830744	0.45234838	-0.9547918	0.46094936	-0.48119026	-0.31828353	0.13467152	-0.4829223	-0.339126	-0.11936579	0.29442596	-0.37052712	0.6120978	0.27449122	-0.14741008	-0.09311099	0.40223756	-0.57061994	0.99977666	0.21639955	-0.9970671	-0.24611254	0.9487938	-0.069819465	-0.001509308	-0.9948348	-0.2679912	0.75189775	0.47809908	0.106118545	-0.5557323	0.3310026	0.1748987	0.6697156	-0.27035815	-0.5068675	-0.037229583	0.11638534	0.19776538	-0.27954283	-0.9987416	-0.9981172	-0.98490417	-0.09235242	-0.09621709	0.6282154	0.17317647	-0.5295662	-0.6843756	0.6035852	0.49943206	-0.5371236	-0.71292025	-0.7051635	0.1803911	-0.075339265	0.082205996	0.399814	-0.4528734	-0.98856556	-0.9990056	-0.55932146	-0.095545605	-0.4601715	-0.15679596	0.05911365	-0.987362	-0.5158886	-0.70971835	0.21247758	0.11395564	-0.4091327	-0.34905204	0.9295	0.54620117	0.85766125	0.26680347	0.59520406	0.27099863	-0.86343193	-0.022612613	0.49970317	-0.5190312	0.57601464	-0.6175242	-0.11565437	-0.45163652	0.39020193	-0.10498294	-0.6062732	0.101036966	0.5519058	0.17192484	0.28152525	-0.003024505	-0.98292935	0.3491856	-0.08784398	0.03917573	0.08944085	0.33855462	0.96254337	-0.008001737	0.17889278	0.14073676	0.626191	0.64464384	-0.028462736	0.961681	0.11141571	-0.27980617	-0.10257269	0.8024361	0.15765856
638	1	Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1	-0.8203277	-0.54033357	0.08631563	0.727318	0.09133382	-0.72789747	-0.55495805	-0.35538995	0.38905925	-0.6262115	-0.70429736	-0.15090697	-0.27742395	-0.35455638	0.7972388	-0.6073436	-0.6135812	0.123889446	0.06709044	0.003865297	0.5833873	-0.49084744	0.67885166	-0.26145235	-0.09671858	0.2537874	0.081220366	0.05685432	0.75303006	-0.6139642	0.3266495	-0.02205359	-0.06713899	0.63830477	0.4841187	0.4305646	-0.5767075	0.80106306	0.97899526	-0.9526282	-0.9294181	-0.1686237	-0.32240048	-0.13287492	0.2457765	-0.94629824	-0.23654404	-0.40127218	0.99686956	-0.35916087	-0.48425627	0.17839134	-0.0750378	0.107294574	-0.9648381	-0.2024934	-0.5604944	0.4602239	-0.27486607	0.16454196	0.11863397	-0.39236817	0.4699337	-0.061590075	0.15812914	0.6376582	-0.49829754	0.32311508	0.010436963	0.19737132	0.47269902	0.5278025	0.18548839	0.015527525	0.96767193	-0.6979636	0.104245655	-0.51661056	0.041787084	-0.9942455	-0.47091436	0.06503102	-0.82060194	-0.38842008	0.083715595	-0.96403795	0.3989013	-0.16343951	-0.7930539	-0.4287228	0.34167713	0.22287352	0.47005108	0.36445755	-0.4927838	-0.22096585	0.9179623	0.306935	0.36262363	-0.4026019	0.3910573	0.08763434	-0.003816283	0.76443595	-0.8047137	0.54446393	-0.42615068	0.7120913	0.98726565	-0.43078998	-0.09368647	-0.1916987	-0.18082684	-0.29410684	-0.27990082	0.2997708	0.11753539	0.6812177	0.9981045	-0.07714081	-0.12431648	0.50787014	0.0756766	0.05319366	-0.19157395	0.783078	0.55068356	-0.32981822	-0.24688318	0.9999939	-0.085488714	-0.26906678	0.541961	-0.1669163	0.57479054	-0.9291484	0.51325655	0.52671736	-0.49946257	-0.17206515	-0.9999396	0.1313073	0.9968439	-0.20131332	0.5792428	-0.021466613	-0.37310037	-0.30447295	0.37069762	-0.3886972	-0.36786237	-0.70525885	0.5184307	0.09179491	0.016619895	-0.037897687	-0.1588767	0.95185304	-0.7177668	-0.7341601	-0.918255	0.34521097	0.13788535	-0.14314651	0.71551555	-0.01824601	0.22194752	-0.20992456	-0.4984532	-0.118980765	-0.597034	0.2915671	-0.51698923	-0.19721499	0.1512839	-0.9782764	-0.7556837	0.09593261	0.39083004	0.16471888	-0.37907	0.9134245	-0.34776443	0.6293298	-0.6722151	-0.21273522	0.71049875	0.18951626	0.120578356	-0.109944455	-0.45577082	-0.10367274	-0.1749518	0.43415314	-0.21201533	0.28527442	0.4515394	-0.47769517	0.79939896	0.5796388	-0.0936902	-0.5726307	-0.7255248	0.2748551	0.05426528	-0.17002648	0.24492827	-0.17947955	0.18013166	-0.9992929	-0.117979996	0.45099348	0.18174732	-0.19703147	-0.2934374	-0.6047572	-0.20288688	0.11866043	0.22103986	-0.18666519	0.25972015	0.56760293	-0.641707	-0.62197256	-0.99130064	0.13846396	0.5091012	0.32094717	0.32221395	0.49811685	-0.32992887	-0.12449119	0.35726425	-0.21650061	0.41780373	-0.29681537	-0.5878922	0.08315407	-0.1997551	0.3046659	0.8100472	-0.53340906	0.38015515	-0.25566015	0.39230967	-0.17335919	0.46599618	-0.38620937	0.06310541	-0.80407107	-0.14923562	-0.974281	-0.31209803	0.6303171	-0.016986772	0.2333069	0.59309256	-0.031095728	0.63111776	-0.40279058	-0.06071428	0.033316843	0.3625659	-0.68096834	-0.20954433	-0.51429886	-0.17391545	-0.4018437	0.7943438	0.546654	-0.6421292	0.94961244	0.2943353	-0.16073151	-0.56337	0.86690664	0.29166594	-0.65511805	-0.2429116	-0.21776633	0.5820409	0.9990912	0.5646442	0.6385655	0.4749007	0.21320587	-0.5873017	0.9585422	0.9529009	-0.3311344	0.48690405	0.9939422	0.06847353	0.5531861	-0.2145523	-0.80499953	0.99993	-0.9994142	0.52831936	0.5020557	-0.34285808	-0.694541	-0.29686543	0.1610267	0.020100735	-0.91498315	0.35061216	0.60748935	0.72537726	0.026663113	-0.094162375	-0.09544322	-0.20542338	-0.17383908	0.9629129	-0.7007504	-0.26926067	0.036163006	-0.99992704	0.22674139	-0.5970384	-0.30275345	0.1417049	-0.48914114	-0.606512	-0.7285955	0.7792691	-0.9718966	0.5059426	0.27291676	-0.49767348	-0.25127712	-0.17653388	-0.21422707	-0.15934657	0.98168117	-0.022205573	0.27544045	-0.36149636	0.63947964	-0.003797254	-0.7427997	0.004917153	-0.31922787	-0.109164774	0.2737046	-0.5820211	-0.15747297	-0.81017345	0.27813017	-0.98811555	0.10315159	-0.63588405	0.0700699	0.22482623	0.19305466	-0.07061514	0.9996393	-0.20804374	0.13215275	-0.34241593	-0.5402228	0.3919962	-0.17909475	-0.95327896	-0.5596248	0.60733134	-0.033126034	-0.41207287	0.20205522	-0.4386195	0.4383502	0.27538502	0.70320344	0.61932766	0.99072874	-0.14430961	-0.49595287	-0.24480242	0.39361945	-0.7541777	0.69857836	-0.36718526	-0.7067401	-0.84960544	0.13599892	0.45030567	0.1318952	0.18925029	0.30414212	0.13238807	0.41074264	-0.015776219	0.6650003	0.4547712	-0.13673663	-0.7666294	-0.89545965	0.6754724	-0.91732097	-0.97448236	0.3397919	-0.066698015	0.54105103	-0.067810416	-0.59462637	-0.518133	-0.6929015	-0.1775539	0.61386865	0.83515286	0.061018202	0.5378712	0.536486	0.04997393	-0.10501392	0.9999995	0.5021393	-0.97826433	0.7541914	0.9989105	-0.63659143	-0.6370923	-0.999763	0.272012	0.30130085	0.5482701	-0.27151874	-0.05391024	0.1836123	-0.2461676	-0.89363056	0.32053134	-0.5195692	0.012264602	-0.043447938	0.45494834	0.23009817	-0.9999939	0.9968696	-0.94196254	0.24353242	-0.7904966	-0.43555412	0.21185556	-0.8699352	-0.7469956	0.45150658	-0.33419162	-0.122116536	-0.8682822	-0.053580195	0.06301489	-0.85996175	-0.07541778	0.28246224	0.28232098	-0.35808572	-0.99992526	-0.23695756	0.02863424	-0.28263497	0.08222283	0.1415707	-0.9993174	-0.33138296	-0.6166194	-0.2395487	0.008312484	-0.06936255	-0.5189882	0.92221993	-0.5623861	0.043791197	0.015528856	0.6225126	0.4876997	-0.77142155	-0.81586194	0.49090138	-0.105043605	-0.91730773	-0.8270258	0.003055977	0.31980804	-0.2189354	0.06390505	-0.3058243	0.09024767	0.7289943	-0.49630308	-0.44706106	-0.014600717	0.8726096	-0.12139872	-0.07796336	-0.19438991	0.05377963	0.34617314	0.99951017	0.7967908	-0.3372268	0.0537286	-0.067788176	0.3371227	0.1471061	-0.937892	-0.49571028	0.8484185	0.32052752	0.4276797	0.13844624
639	1	ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	-0.7681789	-0.00504318	-0.1834199	0.635496	0.36288533	-0.6370503	-0.12551163	-0.28082407	0.46439448	-0.7690035	-0.8524981	0.040178046	-0.31447908	-0.58282644	0.71028876	-0.5613463	-0.17060204	0.2044622	0.03890724	0.12575045	0.3585685	-0.4430557	0.5878831	-0.6272823	0.05890788	0.4535397	0.24970523	0.19906946	0.84721714	-0.5319537	0.4632534	0.21886247	-0.18537605	0.43061894	-0.07790657	0.29786757	0.3333399	0.842727	0.9898008	-0.9684042	-0.88732255	-0.31857258	0.17670353	-0.08813593	0.31225598	-0.9347946	-0.4729224	-0.46489805	0.9988802	0.03941452	-0.025202334	0.22382993	0.2667628	-0.2362361	-0.9670407	0.15517141	-0.7476329	0.5264155	-0.5993033	0.486642	0.05879863	-0.26278305	0.38238052	-0.35271874	-0.6209197	0.45355448	-0.015963627	0.52805716	0.21195954	-0.27806848	0.8340599	0.76423013	0.4366643	-0.08409674	0.96549374	-0.6300052	-0.055215865	-0.8184336	-0.4096335	-0.9945009	-0.16118158	-0.36888394	-0.7079666	-0.23751026	0.6018888	-0.97054434	0.23717564	0.009599513	-0.8780121	-0.4269859	0.45840538	-0.079149045	0.45155126	0.37991813	-0.28231403	0.1622489	0.91019803	0.1199907	0.46856752	-0.39490432	0.47096178	-0.40573913	0.28123435	0.76476246	-0.89429903	0.5488955	0.05286154	0.39097428	0.98269755	-0.34154204	-0.28799793	-0.027575772	-0.16145152	-0.3245672	0.18144642	0.13779648	-0.3018676	0.66141546	0.9980943	-0.2500008	-0.2909556	0.3064401	0.057242524	0.15349434	-0.27866387	0.032998066	0.29854247	-0.087385274	-0.64104784	0.99999225	0.20632948	-0.34951168	0.6954542	0.33789155	0.76577914	-0.9544029	0.7384913	0.62751573	-0.69294673	-0.4508309	-0.99992985	0.32328415	0.9974327	-0.61111134	0.6989548	0.24873574	-0.5199563	0.27890205	0.053105395	-0.4734225	-0.35000086	-0.7580262	0.47697344	0.48807088	-0.44101027	-0.45996007	0.33631983	0.9446361	-0.74154705	-0.9169386	-0.9311567	0.027730584	0.14411817	0.5418398	0.26112872	0.17005403	0.41276723	-0.06977626	-0.03592123	-0.57572263	-0.54771703	0.16020301	-0.031758383	0.21568188	0.26450002	-0.93252593	-0.8187883	-0.15746197	0.5044106	0.016868562	0.009641543	0.91357905	0.131765	0.59923667	-0.7373617	-0.2566609	0.18911175	0.1402239	-0.13461798	-0.17702463	-0.32812133	-0.32345372	-0.16295433	0.5206304	0.13804108	0.15146227	0.47408584	-0.5615389	0.894232	0.6441611	0.18484905	0.20766976	-0.53525114	0.36980814	0.61140966	-0.14851624	0.39320463	-0.14997365	0.46723855	-0.9991755	-0.1594849	0.06928666	0.33899918	0.29237702	-0.47090274	-0.14310332	0.43418863	-0.2773755	-0.40252474	-0.3094777	0.554675	-0.34080613	-0.7279139	-0.64194924	-0.9839991	0.14759117	0.29695448	0.67350835	0.54294753	0.58272904	-0.65128505	-0.17968537	0.050361615	-0.46113685	0.6133844	-0.18867797	0.5862662	-0.1607885	-0.42259327	0.17167673	0.7509313	-0.005768503	0.33790818	-0.47722244	0.5729594	-0.15656568	0.48081127	-0.52455896	0.18641229	-0.6532553	0.041528344	-0.9720504	-0.37231192	0.63262707	0.4038262	-0.047814876	-0.056646634	-0.28733313	0.6616341	-0.74343944	-0.35576838	-0.34177518	0.05537544	-0.6392329	0.13663729	-0.21631332	0.3293933	0.0735434	0.86336964	0.30220187	-0.38638583	0.9726224	-0.033967726	0.23078683	-0.13824059	0.88727033	-0.097409725	-0.80531484	-0.18098494	-0.35534173	0.61696464	0.9993628	0.20650992	0.3885225	0.7706703	-0.2933629	-0.52340484	0.9568201	0.94600445	-0.2783324	0.091025025	0.99410933	0.064929985	0.6541889	-0.20037913	-0.6189005	0.9999705	-0.9996813	0.46903285	0.25462604	-0.3517036	-0.46823123	-0.31526166	0.0932658	0.23275818	-0.8749372	0.4500138	0.771167	0.5623173	0.016935965	0.025646813	-0.5471542	-0.19679433	0.030110696	0.96685493	-0.6950028	0.12596175	0.539174	-0.99993676	0.14430955	-0.6351568	0.21610518	0.70438373	-0.746645	-0.7059118	-0.65786314	0.6333162	-0.9758948	0.7235922	0.2516077	-0.30957305	-0.000222564	-0.3177725	-0.2812608	0.04580097	0.99287444	-0.23419057	0.7340356	-0.36868137	0.7812865	-0.24649468	-0.67719007	-0.29631472	0.2333657	-0.01036949	0.23476975	-0.46267003	-0.25362805	-0.45408878	0.1731134	-0.9908924	0.19713175	0.019891964	-0.42694753	0.19086361	0.48071867	0.24059899	0.9993847	-0.07696378	0.10989077	-0.21156651	-0.4589514	-0.20863634	0.44146103	-0.9775815	-0.20772022	0.37338656	-0.13436793	-0.1896956	0.5109125	-0.47002876	0.7349972	0.6126497	0.7147234	0.7518775	0.99345076	-0.21211919	-0.46239334	-0.22062339	0.375315	-0.9230486	0.19165125	-0.48151696	-0.7219882	-0.40424246	0.31949395	0.21768138	0.06858188	0.101468585	0.59228593	-0.14982635	0.32266885	-0.3662839	0.2678065	0.52836823	-0.53173965	-0.640015	-0.90324897	0.7337995	-0.9308887	-0.973917	0.14137854	-0.20461485	0.17640409	-0.18320386	-0.44682497	-0.65681964	-0.67661095	-0.3082284	0.04562996	0.8541713	0.818132	0.3279088	0.4145405	-0.01255444	0.16964032	0.9999997	0.34814152	-0.98005444	0.5839217	0.9988114	-0.76386946	-0.696399	-0.9999019	0.4037174	0.31884244	0.60689193	-0.23959956	-0.30439103	0.10642493	0.0532514	-0.9185419	-0.27141058	0.2038424	-0.6746729	-0.07593767	0.38596264	0.27312925	-0.9999949	0.9904578	-0.9391239	0.07932788	0.21764469	-0.5360464	0.16921432	-0.8604193	-0.7472682	0.5243273	-0.40254977	-0.084105894	-0.92400724	0.40386188	-0.34370947	-0.58561486	0.13511936	0.06043844	-0.07446489	-0.30995256	-0.99994355	0.000615745	0.50054693	-0.11717634	0.3265762	0.15247567	-0.99924356	-0.50633633	-0.12309794	-0.22497292	-0.4421307	-0.036250867	0.46342152	0.9208296	-0.34060743	-0.08943476	0.053631186	0.4033811	0.457881	-0.864367	-0.71281695	0.06497416	-0.19818501	-0.92651814	-0.97261125	0.32875586	0.14141646	-0.6146906	-0.438477	-0.6079034	-0.22779106	0.74763167	-0.010818259	-0.4596409	-0.06422212	0.8826103	-0.019354343	-0.1410221	0.32939884	0.06685392	0.08705221	0.995903	0.7939258	-0.21795267	0.6470176	0.36022028	0.30111372	0.5323994	-0.91803473	0.17338385	0.8068339	0.6123081	0.17082305	-0.10990418
640	0	Brc1ccc(Oc2ccccc2)cc1	-0.4550078	0.21630085	-0.21544436	0.686682	-0.070241354	-0.4593911	-0.8035601	0.26092735	0.18401569	-0.10546972	-0.6311292	-0.16769393	-0.30310273	-0.49769983	0.35223946	0.33550665	-0.26167834	0.39562273	-0.03358871	0.0244235	0.6064026	-0.7831874	0.493691	-0.3238778	0.36723393	0.43384266	-0.30038497	0.26383635	0.40384737	-0.23742554	-0.2785552	0.292524	-0.50121176	0.07709784	0.43474	-0.07545233	-0.4400898	0.72633237	0.44723418	-0.9798709	-0.9977655	-0.36033687	-0.011741753	-0.16263306	0.2666103	-0.9918313	-0.2636093	0.13340881	0.9903988	-0.5010255	0.33012936	-0.036872424	-0.04800494	0.07486893	-0.9395923	0.15832043	-0.48497316	0.9361252	0.07725463	0.33133897	-0.26194486	-0.30266517	0.7407916	0.018522386	-0.3633864	0.27455857	0.3139721	0.6525972	-0.4398417	0.496022	0.9127246	-0.65808314	0.4242297	-0.41577077	0.75888777	-0.4964844	-0.16886824	0.2700548	-0.12198473	-0.99153733	-0.12675627	0.1377771	-0.71052873	-0.33843037	0.07675191	-0.8361463	-0.10208409	0.05885115	-0.3113318	-0.23723532	0.14750445	0.33409795	-0.06218886	-0.082600616	-0.3100659	0.1011076	0.75731057	-0.41774103	-0.00524338	-0.16253953	0.15030694	-0.37572098	-0.13778518	0.878216	0.7407884	-0.13830265	0.061459377	0.2755107	0.99011034	0.24131891	-0.3278397	-0.40632904	0.47782207	-0.1686007	-0.1266061	0.59215325	0.42233425	0.43663812	0.9987915	-0.08223619	-0.0849356	-0.12367068	-0.16058253	0.1506352	-0.43180105	0.30878553	0.21545543	-0.32365155	-0.22144616	0.99996036	-0.064335905	-0.20133899	0.48731127	-0.7040187	0.18577243	-0.9425446	0.18137814	0.63472885	-0.3139801	0.4866501	-0.9998402	-0.38132042	0.9966418	-0.5919279	0.49538064	0.031495247	-0.5539961	0.05251493	0.9883561	0.08722648	0.22317947	-0.4628568	0.30556157	0.15864399	0.13010757	0.21298024	-0.11240188	0.9982737	-0.32034463	-0.8913061	-0.98843884	-0.069439575	0.14518264	0.43605846	0.12844966	0.043145686	-0.31745714	0.014718779	-0.10158366	-0.13310292	-0.4557906	-0.22163092	0.081322946	-0.05960431	0.12608767	-0.97627044	-0.67491776	0.06993807	-0.65797013	-0.5421289	0.46707255	0.76165676	-0.34682915	0.50858706	-0.960546	-0.26973876	0.5818598	0.09628548	0.16577503	-0.038560208	0.106189474	-0.1569902	0.14861411	0.40754786	-0.13066685	-0.18378481	0.3771348	-0.78321093	0.6444744	-0.14977098	0.17100188	-0.24726675	-0.56708723	0.1285354	0.5193966	0.08650189	0.26582888	-0.72635806	0.4795922	-0.9720237	-0.4791572	0.21058245	-0.12095913	-0.461981	0.12808451	-0.20157532	-0.4568046	0.04634047	-0.028198622	0.4688066	-0.21185331	0.39480954	-0.5454958	-0.2725965	-0.97782505	0.54982454	0.22022319	0.43988255	0.6658893	0.14195381	-0.42834893	0.2969801	0.618253	-0.53950614	0.21229765	-0.39190647	-0.24845007	0.2333216	0.38814393	-0.002898301	0.9104352	-0.36247998	-0.47878817	-0.47625262	0.7452449	-0.1799338	0.6420684	0.1878978	0.123653434	-0.13541631	-0.062474176	-0.96309215	-0.2837142	0.68702704	0.28615087	0.40095186	-0.14665522	0.71128625	0.28116253	-0.1021722	-0.1571113	0.367623	0.23007216	-0.6478853	0.5285212	0.097917706	-0.055507295	-0.09712461	0.23614626	0.73292816	-0.29328945	-0.8193103	0.25896272	0.21244837	-0.0904378	0.9007169	0.18007699	0.057428744	-0.35034877	0.4414556	-0.13175763	0.9997556	-0.007398335	0.840777	-0.36567998	0.15025681	-0.06548719	0.6834729	0.973177	0.13710237	0.27499354	0.99940705	0.22334808	0.033100344	-0.05568725	0.52818465	0.9999211	-0.99588567	0.31295878	0.17344531	-0.4454699	-0.11657286	-0.47295153	-0.14114411	0.3913351	-0.52959776	0.98812085	0.46764562	0.6385109	-0.40649793	-0.17897664	0.22294417	0.3429608	0.14629306	0.9660814	-0.22015052	0.3670177	-0.35153705	-0.99995667	0.31214836	-0.07419039	0.23492552	0.38906762	-0.75595397	-0.4388979	-0.44023877	0.4631719	-0.9595264	0.007315035	0.3411393	0.117957845	-0.41108936	0.2365969	0.13140343	0.20039842	0.8752741	-0.45333505	-0.17949505	-0.23742554	0.10269345	0.068226136	0.3318751	-0.13223426	0.7388906	0.44397023	0.31688756	-0.15598045	0.29153723	-0.7094343	0.8474561	-0.99791694	0.22600174	-0.6135226	-0.028064812	0.1839132	0.10450314	0.41995832	0.99837846	0.061537944	-0.22888064	-0.01785193	-0.053340197	0.6643713	-0.07320478	-0.93964344	-0.07552133	-0.18482764	-0.8234007	-0.12493621	0.28333527	-0.33083752	-0.018183816	0.2906044	0.9411373	-0.17434394	0.99814427	-0.23049435	-0.5123377	-0.6715836	-0.29388463	-0.819083	-0.40301767	0.14626043	-0.67047167	-0.45268688	0.06959457	0.13925482	0.1658552	0.14567192	0.5871786	-0.5280134	0.12757683	0.1687284	0.16330117	0.3397703	0.5021345	-0.004244182	0.001729971	0.24838167	-0.30166486	-0.9777813	0.11922845	0.29253757	0.23398833	-0.5357377	-0.45850554	-0.31851503	-0.54524225	0.18003409	0.15565963	0.3025745	0.09454017	-0.4554007	-0.38485697	0.29408434	-0.28196108	0.9999999	0.30169398	-0.9875028	0.1060072	0.9992938	-0.5490827	-0.12994805	-0.9998912	0.049700394	-0.24737155	0.3190727	0.5303797	-0.49644005	0.2680197	-0.068949915	-0.31770784	-0.18688875	-0.2887843	-0.11839588	0.083729625	0.4959481	-0.037589025	-0.9999862	0.9881537	-0.9797992	-0.00510617	-0.2858756	-0.34354034	-0.37822044	-0.33781433	-0.5167418	0.43943173	0.029413536	0.009038336	-0.91079456	-0.2866536	0.4278337	-0.45303375	0.4474737	0.6412983	-0.3833826	-0.9671281	-0.9999504	-0.22936542	-0.035500143	0.1043776	-0.2836868	-0.14331825	-0.99873954	0.049575977	-0.31846142	0.22430079	-0.36702228	-0.53620905	-0.2544828	0.952623	0.113645464	0.73389703	0.05493388	0.33707207	0.0253582	-0.8837886	-0.5067368	-0.21924718	-0.35567296	-0.6546557	-0.043342117	-0.6248782	-0.05306839	-0.09262576	-0.009656903	-0.35374865	-0.027414741	0.53816587	-0.07626016	0.16649146	-0.032686464	-0.6442902	0.16917184	-0.04397506	0.019190965	-0.37545633	0.32728934	0.9991373	0.65672493	0.013528777	-0.22914575	-0.4413458	0.11520769	-0.6658922	0.25107768	-0.10908418	0.48349077	-0.20294984	0.5558165	0.28942785