Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	O=N(=O)c1ncn(c1N1CCOCC1)C	0.147	0.422	0.056	0.501	0.092	0.101	0.001	0.731	0.369	0.012	0.574
Compound_2	O=C(CC(CC(=O)O)(C)C)NNc1c(Cl)cncc1Cl	0.027	0.532	0.469	0.252	0.199	0.434	0.188	0.209	0.437	0.053	0.213
Compound_3	CC(=O)OCc1cc(nn1c1ccccc1)C=NN(c1ccccc1)C(=O)C	0.525	0.717	0.297	0.526	0.726	0.586	0.618	0.523	0.413	0.042	0.482
Compound_4	OC(=O)CN1c2ccc(cc2C2(C1=O)CC(=O)N(C2=O)Cc1cc(Cl)ccc1F)Cl	0.692	0.643	0.211	0.344	0.83	0.579	0.991	0.222	0.389	0.931	0.799
Compound_5	Clc1ccc2c(c1)sc(n2)N1CCCN(CC1)S(=O)(=O)CC12CCC(C2(C)C)CC1=O	0.429	0.749	0.338	0.378	0.681	0.662	0.772	0.932	0.403	0.596	0.346
Compound_6	COC(=O)c1cscc1NC(=O)c1nccnc1C(=O)O	0.189	0.598	0.761	0.37	0.338	0.478	0.017	0.034	0.733	0.053	0.436
Compound_7	OC(=O)C1CCCN1C(=O)C(C)(C)C	0.035	0.368	0.112	0.16	0.055	0.024	0.049	0.075	0.319	0.004	0.071
Compound_8	Cc1cc(C)c2c(n1)sn(c2=O)C(=O)c1cccs1	0.542	0.491	0.88	0.399	0.356	0.761	0.544	0.67	0.414	0.059	0.38
Compound_9	O=C(Nc1cc2c(s1)cccc2)NC1Cc2c(C1)cccc2	0.405	0.547	0.964	0.494	0.591	0.611	0.603	0.664	0.681	0.939	0.231
Compound_10	Cc1nn(c(c1)n1c(=S)[nH]c2c(c1=O)c(C)c(s2)C)c1ccccc1	0.494	0.652	0.253	0.352	0.529	0.743	0.322	0.084	0.862	0.669	0.194
Compound_11	OCC(C(C(C(C1SC(=NN1c1ccccc1)c1ccccc1)O)O)O)O	0.661	0.672	0.187	0.442	0.446	0.322	0.118	0.01	0.303	0.094	0.573
Compound_12	CN1CCN(CC1)CC(=O)Nc1c(C#N)cnn1c1ccccc1	0.114	0.707	0.058	0.161	0.333	0.473	0.009	0.081	0.451	0.036	0.283
Compound_13	Clc1ccc2c(c1)c(cs2)CNS(=O)(=O)c1ccc2c(c1)CCO2	0.447	0.478	0.5	0.318	0.583	0.675	0.333	0.53	0.342	0.419	0.436
Compound_14	Fc1ccc(cc1)N1C(=O)CC(C1=O)n1c(C)nc2c1cccc2	0.449	0.591	0.833	0.498	0.621	0.581	0.104	0.687	0.545	0.121	0.434
Compound_15	Clc1ccc(cc1)Oc1ncccc1C(=O)NCc1csc2c1cc(Cl)cc2	0.661	0.525	0.912	0.53	0.66	0.654	0.996	0.5	0.511	0.267	0.775
Compound_16	CC1=NN(C(=O)C1=c1sc(nn1c1ccccc1)C(=O)c1cccs1)c1ccccc1	0.649	0.706	0.212	0.499	0.58	0.724	0.867	0.278	0.404	0.469	0.216
Compound_17	COc1ccc(cc1)N1C(=O)CC(C1=O)N1CCSCC1	0.209	0.478	0.254	0.205	0.619	0.35	0.004	0.047	0.273	0.011	0.089
Compound_18	Cc1oc(c(c1)C(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C	0.127	0.652	0.078	0.533	0.14	0.461	0.114	0.925	0.358	0.021	0.092
Compound_19	C=CCn1c2c(nnn2c2c(c1=O)cccc2)C(=O)OCC	0.505	0.69	0.877	0.584	0.332	0.552	0.053	0.935	0.165	0.009	0.274
Compound_20	Oc1cc(C)c2c(n1)n(C)nc2c1cccs1	0.522	0.556	0.945	0.551	0.682	0.651	0.415	0.71	0.72	0.497	0.143
Compound_21	S=c1[nH]nc(n1c1cccnc1)c1cccc2c1cccc2	0.412	0.676	0.612	0.536	0.217	0.673	0.329	0.414	0.666	0.435	0.409
Compound_22	Cc1oc(c(c1)C(=O)Nc1ccc(c(c1)Cl)N1CCOCC1)C	0.414	0.703	0.979	0.73	0.348	0.602	0.194	0.965	0.65	0.333	0.239
Compound_23	N#Cc1cccnc1NNC(=O)c1nccnc1C(=O)O	0.181	0.719	0.616	0.39	0.283	0.584	0.029	0.041	0.57	0.022	0.318
Compound_24	CCOC(=O)C(C(=O)OCC)(Cc1cc(F)cc2c1OCOC2)NC(=O)C	0.429	0.64	0.859	0.369	0.097	0.412	0.761	0.213	0.412	0.969	0.587
Compound_25	CN(C=CC(=O)c1ccc(o1)c1cc(Cl)cc(c1)Cl)C	0.277	0.566	0.813	0.523	0.044	0.386	0.006	0.901	0.677	0.509	0.54
Compound_26	O=C(C(C)(C)C)CSc1nc2c(n1C(C)C)ccc(c2)C(F)(F)F	0.626	0.652	0.853	0.654	0.446	0.664	0.931	0.96	0.31	0.362	0.825
Compound_27	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(nc1)Oc1c(Cl)cccc1Cl	0.448	0.301	0.244	0.473	0.444	0.566	0.248	0.566	0.121	0.594	0.339
Compound_28	COc1ccc(cc1)OCC(CNC(=O)C1CCC1)O	0.02	0.382	0.01	0.269	0.295	0.604	0.028	0.298	0.377	0.013	0.057
Compound_29	O=C(c1ccccc1)CSc1nccc(n1)c1cccs1	0.577	0.585	0.868	0.576	0.364	0.834	0.569	0.063	0.653	0.032	0.519
Compound_30	N#Cc1ccc(cc1)CNC(=O)Nc1ccc(cc1)OCc1ccccc1	0.75	0.649	0.975	0.697	0.978	0.789	0.716	0.785	0.665	0.023	0.522
Compound_31	O=C(c1ccccc1C(=O)O)Nc1cc(sc1C(=O)C)C(C)(C)C	0.429	0.643	0.474	0.567	0.5	0.624	0.315	0.618	0.476	0.126	0.57
Compound_32	Oc1ccc2c(c1)c(co2)C(=O)c1ccco1	0.344	0.418	0.871	0.566	0.111	0.381	0.89	0.863	0.562	0.677	0.665
Compound_33	COc1ccc(cc1NC=Cc1nnnn1c1ccc2c(c1)cccc2)C(F)(F)F	0.521	0.669	0.966	0.53	0.768	0.745	0.979	0.573	0.746	0.62	0.758
Compound_34	O=C(c1nnsc1C)Oc1ccccc1c1ocnn1	0.307	0.602	0.625	0.685	0.555	0.632	0.664	0.696	0.649	0.119	0.478
Compound_35	O=C(Nc1c(=O)n(n(c1C)C)c1ccccc1)Nc1ccccc1	0.368	0.682	0.328	0.432	0.579	0.786	0.034	0.348	0.424	0.129	0.203
Compound_36	O=C(N1c2ccccc2Sc2c1cccc2)CSc1nc2c(s1)cccc2	0.623	0.57	0.994	0.652	0.666	0.746	0.933	0.668	0.556	0.226	0.452
Compound_37	NC(=S)NN=C1Cc2c(C1)cccc2	0.197	0.499	0.948	0.373	0.139	0.309	0.953	0.184	0.797	0.181	0.3
Compound_38	N#CCCN(C(=O)Nc1ccc2c(c1)CCO2)Cc1ccccc1	0.437	0.523	0.411	0.604	0.769	0.667	0.537	0.905	0.557	0.243	0.624
Compound_39	Cc1onc(c1)C(=O)Nc1cc(nn1C)c1ccccc1	0.28	0.448	0.455	0.561	0.541	0.686	0.218	0.677	0.866	0.18	0.305
Compound_40	O=C(c1nn2c(s1)nc(=O)c1c2cccc1)c1ccc(c(c1)Cl)Cl	0.595	0.545	0.638	0.483	0.596	0.649	0.989	0.925	0.467	0.481	0.385
Compound_41	O=C(CC(c1ccccc1)CC(=O)O)NCC(c1ccccc1)O	0.056	0.475	0.002	0.172	0.017	0.177	0.012	0.013	0.202	0.149	0.075
Compound_42	O=C1CCC(=NN1)C(=O)Nc1ccc(c(c1)Cl)N1CCOCC1	0.398	0.573	0.912	0.661	0.527	0.684	0.148	0.93	0.377	0.035	0.187
Compound_43	COc1cc(ccc1OC)CC(=O)Nc1ccc(cc1)c1cnco1	0.133	0.631	0.992	0.723	0.314	0.604	0.67	0.508	0.299	0.254	0.642
Compound_44	OC(=O)c1ccccc1C(=O)Nc1cc(ccc1N1CCCC1)C(F)(F)F	0.594	0.626	0.034	0.53	0.667	0.499	0.964	0.976	0.469	0.006	0.227
Compound_45	N#CC(=CN=S(=O)(c1ccc(cc1)Cl)C)C(=O)c1ccc(cc1)Cl	0.513	0.561	0.563	0.541	0.746	0.731	0.309	0.693	0.39	0.967	0.765
Compound_46	OC(=O)COCC(=O)Nc1cccc(c1C#N)F	0.71	0.617	0.498	0.426	0.495	0.125	0.518	0.866	0.35	0.188	0.5
Compound_47	O(Cc1nnc(o1)c1ccc2c(c1)cccc2)N=Cc1cccc2c1OCO2	0.452	0.725	0.915	0.593	0.613	0.651	0.987	0.973	0.517	0.897	0.797
Compound_48	CN(S(=O)(=O)c1ccc(s1)c1ccccn1)C1CCCCC1	0.476	0.522	0.423	0.522	0.515	0.704	0.244	0.765	0.347	0.048	0.121
Compound_49	CN(C(=S)SCC(=O)c1ccc(cc1)Cl)C	0.422	0.279	0.262	0.583	0.185	0.764	0.923	0.254	0.416	0.947	0.525
Compound_50	CCOC(=O)c1c(NC(=O)Nc2ccc(cc2)C)sc2c1CCC(C2)C	0.624	0.661	0.974	0.69	0.572	0.854	0.992	0.28	0.573	0.759	0.508
Compound_51	O=C1N(Cc2ccccc2)Cc2c1[nH]c1cc(nn1c2=O)C(C)(C)C	0.529	0.669	0.058	0.443	0.342	0.77	0.044	0.539	0.666	0.329	0.207
Compound_52	Cc1nc(Sc2nnc(n2C)c2ccccc2)c2c(n1)n(c1ccccc1)c(=S)s2	0.66	0.639	0.767	0.656	0.516	0.785	0.438	0.772	0.712	0.565	0.235
Compound_53	CC(N(C(=O)c1snnc1C)Cc1ccccc1)C	0.208	0.607	0.506	0.504	0.097	0.703	0.249	0.763	0.364	0.205	0.345
Compound_54	C=CCn1c(=S)sc2c1ncnc2NN=Cc1ccco1	0.351	0.51	0.99	0.519	0.181	0.648	0.023	0.993	0.41	0.339	0.371
Compound_55	CCOC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(s1)CNC(=O)c1ccc(cc1)Cl	0.505	0.556	0.171	0.397	0.514	0.698	0.64	0.664	0.398	0.07	0.334
Compound_56	CCOC(=O)c1c(C)nc2n1ccc(c2)C	0.173	0.597	0.546	0.453	0.126	0.452	0.004	0.016	0.54	0.276	0.655
Compound_57	Clc1ccc(cc1Cl)COc1cccn2c1nc(c2)C(C)(C)C	0.318	0.596	0.477	0.658	0.405	0.612	0.07	0.933	0.564	0.964	0.845
Compound_58	CC(=O)OCC(C(C(C(C(=O)Nc1ccccc1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C	0.56	0.355	0.903	0.67	0.218	0.068	0.601	0.376	0.411	0.086	0.39
Compound_59	S=C(N1CCCN(CC1)C(=O)OC(C)(C)C)Nc1cccnc1	0.172	0.47	0.007	0.357	0.169	0.411	0.007	0.443	0.475	0.822	0.243
Compound_60	CCC1(CC)C(=O)NC(=O)N(C1=O)C	0.107	0.331	0.128	0.247	0.038	0.048	0.002	0.051	0.337	0.075	0.173
Compound_61	OCCNc1ccc(c(c1C#N)NCCO)N(=O)=O	0.669	0.224	0.85	0.456	0.761	0.222	0.005	0.837	0.44	0.075	0.762
Compound_62	CCC(C(C(=O)NCC(=O)O)NC(=O)OCc1ccccc1)C	0.037	0.264	0.07	0.307	0.023	0.066	0.001	0.314	0.243	0.084	0.058
Compound_63	NC(=NOCc1noc(n1)c1cscc1)c1ccc(cc1)C(F)(F)F	0.531	0.541	0.403	0.543	0.5	0.811	0.401	0.468	0.498	0.015	0.614
Compound_64	OC(=O)CSCC(=O)N1CCCN(CC1)c1nccc(n1)C(F)(F)F	0.102	0.45	0.017	0.361	0.649	0.346	0.267	0.892	0.4	0.032	0.421
Compound_65	N#CC(=CN1CCCCC1)S(=O)(=O)c1ccc(cc1)Cl	0.498	0.409	0.107	0.199	0.483	0.642	0.007	0.586	0.378	0.239	0.488
Compound_66	CCC(NC(=S)NC1CC2CC1CC2)CO	0.036	0.273	0.036	0.429	0.165	0.287	0.001	0.123	0.317	0.975	0.229
Compound_67	O=C(CC1(CCCCC1)CC(=O)O)NCc1cccc(c1)C(F)(F)F	0.141	0.376	0.111	0.327	0.08	0.579	0.509	0.789	0.256	0.003	0.154
Compound_68	COc1ccc(c(c1)NC(=O)c1c(C)onc1c1ccccc1Cl)NC(=O)C	0.542	0.731	0.97	0.749	0.847	0.754	0.987	0.652	0.768	0.984	0.878
Compound_69	COc1cc(C=NNC2=NC(=O)CS2)cc(c1OC)OC	0.322	0.524	0.993	0.57	0.195	0.312	0.006	0.218	0.408	0.04	0.266
Compound_70	NC(=O)c1ccccc1OCCCN1CCN(CC1)c1ccccc1	0.082	0.518	0.242	0.149	0.305	0.742	0.027	0.029	0.457	0.022	0.313
Compound_71	O=C(Nc1nn(c2c1c(F)ccc2)C)COCC(=O)O	0.398	0.634	0.184	0.33	0.272	0.526	0.049	0.244	0.365	0.235	0.578
Compound_72	O=C(c1cccs1)Nc1nc(c(s1)c1ccccc1)C(F)(F)F	0.595	0.744	0.702	0.623	0.31	0.89	0.914	0.934	0.42	0.032	0.595
Compound_73	N#CC1CC2CC1N(C2)Cc1ccccc1	0.362	0.463	0.063	0.113	0.293	0.331	0.011	0.045	0.511	0.74	0.549
Compound_74	OC1CCC2(C34C1Oc1c4c(CC2N(CC3)C)ccc1O)O	0.558	0.753	0.003	0.265	0.538	0.133	0.009	0.031	0.032	0.199	0.582
Compound_75	N#Cc1c(=O)[nH]c(cc1c1ccc(cc1)OC)c1ccccc1	0.696	0.782	0.577	0.637	0.939	0.934	0.95	0.175	0.627	0.019	0.813
Compound_76	O=C(c1cccc(c1)C(F)(F)F)NNC(=O)c1nccnc1N	0.302	0.635	0.91	0.466	0.245	0.579	0.197	0.76	0.64	0.008	0.316
Compound_77	O=C(Nc1cccc(c1)C(F)(F)F)ON=C(c1csc(n1)C)N	0.596	0.648	0.9	0.683	0.291	0.801	0.568	0.961	0.505	0.03	0.668
Compound_78	CCN(S(=O)(=O)c1ccc(s1)c1ccc(s1)S(=O)(=O)N(CC)CC)CC	0.558	0.469	0.496	0.547	0.605	0.708	0.954	0.583	0.423	0.947	0.224
Compound_79	Cc1nc(NN=Cc2ccccn2)nc(n1)N	0.339	0.739	0.717	0.457	0.153	0.623	0.003	0.888	0.6	0.018	0.5
Compound_80	Clc1ccccc1Nc1scc(n1)c1c(C)onc1c1ccccc1	0.659	0.676	0.928	0.767	0.538	0.752	0.996	0.942	0.685	0.748	0.32
Compound_81	O=C(COc1c(C)cc(cc1C)c1nn(C)c(=O)c2c1cccc2)NNC(=O)Nc1ccccc1	0.493	0.649	0.988	0.653	0.405	0.705	0.527	0.827	0.452	0.205	0.433
Compound_82	CSc1nn(c(=S)s1)CSc1n[nH]c(n1)c1ccccc1F	0.351	0.541	0.936	0.562	0.647	0.678	0.086	0.481	0.728	0.284	0.407
Compound_83	N#CCC(=O)NNC(=S)NC1CCCCC1	0.152	0.254	0.159	0.36	0.155	0.424	0.0	0.272	0.433	0.921	0.549
Compound_84	O=C(c1ccccc1)CC(c1cccc2c1cccc2)CC(=O)c1ccccc1	0.839	0.617	0.796	0.567	0.26	0.493	0.979	0.971	0.764	0.733	0.991
Compound_85	O=C1N(CC2CCCCC2CN2CCN(CC2)c2nsc3c2cccc3)C(=O)C2C1C1CCC2C1	0.29	0.508	0.527	0.152	0.567	0.678	0.073	0.974	0.468	0.342	0.1
Compound_86	CSc1n[nH]c(c1)c1ccc(cc1)F	0.663	0.552	0.973	0.539	0.691	0.684	0.926	0.105	0.761	0.381	0.571
Compound_87	C=CCNC(=O)CSc1nnc(n1C)CSc1cccs1	0.321	0.481	0.198	0.373	0.425	0.63	0.034	0.894	0.395	0.097	0.335
Compound_88	O=C(Nc1cccnc1Oc1ccc(c2c1CCC2)C)CSc1ccc(cc1)Cl	0.582	0.582	0.905	0.525	0.677	0.767	0.134	0.933	0.309	0.671	0.611
Compound_89	COc1ccccc1N1CCN(CC1)CCCCNS(=O)(=O)c1ccc(c(c1)Cl)Cl	0.104	0.549	0.36	0.06	0.655	0.659	0.033	0.163	0.404	0.062	0.236
Compound_90	O=C(Nc1cccc(c1)C(F)(F)F)NNC(=O)c1oc(c(n1)c1ccccc1)C	0.505	0.614	0.987	0.808	0.615	0.616	0.975	0.983	0.474	0.019	0.484
Compound_91	O=C(Nc1cc(oc1C(F)(F)F)C)Nc1cccc(c1)S(=O)(=O)N	0.251	0.218	0.024	0.306	0.39	0.561	0.163	0.855	0.212	0.009	0.385
Compound_92	O=C1NCCCCC1Nc1n[nH]c(n1)N	0.119	0.326	0.17	0.317	0.241	0.489	0.001	0.048	0.447	0.002	0.266
Compound_93	COc1cccc(c1)N=C(NNc1ccc(cc1)N(=O)=O)S	0.653	0.763	0.974	0.436	0.482	0.756	0.281	0.174	0.393	0.969	0.654
Compound_94	OC(=O)CCn1c(CCC(=O)O)nc2c1cccc2	0.136	0.544	0.513	0.272	0.336	0.38	0.038	0.025	0.238	0.243	0.356
Compound_95	S=C(Nc1cc(ccc1C)NC(=O)C)Nc1ccc(c(c1)Cl)Cl	0.542	0.757	0.877	0.624	0.458	0.924	0.999	0.619	0.563	0.98	0.615
Compound_96	N#Cc1cccc(c1)C(=O)Cc1cccc(c1)Oc1ccccc1	0.793	0.732	0.888	0.635	0.966	0.845	0.995	0.82	0.349	0.226	0.936
Compound_97	NNC(=O)c1onc(n1)c1ccc(cc1)OC(F)(F)F	0.319	0.461	0.995	0.704	0.436	0.714	0.042	0.99	0.643	0.004	0.352
Compound_98	CCOC(=O)C1CCN(CC1)Cc1cccc(c1)NC(=O)c1cccs1	0.505	0.572	0.21	0.408	0.331	0.737	0.47	0.18	0.389	0.074	0.18
Compound_99	O=C(c1nccnc1C(=O)O)N1CCCN(CC1)C(=O)c1cccs1	0.279	0.673	0.05	0.351	0.508	0.49	0.008	0.34	0.413	0.181	0.143
Compound_100	CCOC(=O)CSc1nc2c(n1C)ncc(c2)C(F)(F)F	0.489	0.643	0.447	0.664	0.354	0.593	0.782	0.962	0.499	0.332	0.811
Compound_101	COc1cc(C=NNC(=O)C(n2nnc(n2)N2CCOCC2)C)cc(c1OC)OC	0.429	0.764	0.724	0.429	0.157	0.454	0.005	0.108	0.409	0.542	0.284
Compound_102	N#CC(=Cc1cc2c(o1)cccc2)S(=O)(=O)c1ccccn1	0.353	0.655	0.978	0.505	0.301	0.679	0.253	0.983	0.586	0.614	0.486
Compound_103	CCOC(=O)C1CC2CN(CC(C1)C2=O)S(=O)(=O)c1ccc(cc1)C	0.324	0.512	0.191	0.614	0.057	0.222	0.097	0.066	0.416	0.391	0.173
Compound_104	Cc1ccc(cc1)N1N=C(C(=C2SCCCS2)C1=O)C	0.492	0.567	0.555	0.6	0.577	0.685	0.945	0.444	0.396	0.028	0.091
Compound_105	S=C(NCc1ccccc1)NCCNC(=O)Cc1ccc(cc1)O	0.129	0.473	0.03	0.296	0.107	0.968	0.031	0.063	0.344	0.512	0.089
Compound_106	CCOC(=O)C=C(NN=C(c1ccccc1)c1ccccc1)C	0.51	0.78	0.937	0.717	0.737	0.935	0.986	0.972	0.666	0.662	0.699
Compound_107	OC(=O)C=CC(=O)Nc1ccc(c(c1)O)C(=O)O	0.274	0.503	0.523	0.447	0.5	0.043	0.319	0.892	0.461	0.622	0.232
Compound_108	CCOC(=O)c1cc(C)nc(c1C#N)Sc1ccccc1NC(=O)c1cccs1	0.54	0.58	0.973	0.591	0.71	0.766	0.925	0.689	0.409	0.017	0.745
Compound_109	COc1cc(OC)nc(n1)NC=C1N=C(OC1=O)c1ccccc1	0.518	0.76	0.991	0.543	0.348	0.478	0.181	0.269	0.525	0.034	0.647
Compound_110	COc1cc(CCNC2=NCCS2)ccc1OC	0.087	0.452	0.389	0.379	0.016	0.225	0.0	0.042	0.335	0.031	0.057
Compound_111	CCC(C1=CC(=Nc2c(C)n(n(c2=O)c2ccccc2)C)C=C(C1=O)C(CC)C)C	0.395	0.587	0.149	0.515	0.42	0.579	0.609	0.961	0.572	0.47	0.42
Compound_112	CCOC(=O)c1noc(c1)CSc1nnc(s1)SC	0.465	0.594	0.953	0.49	0.709	0.657	0.952	0.065	0.387	0.074	0.809
Compound_113	CC(=O)Nc1cccc(c1)OCCCN1C(=O)c2c(C1=O)cccc2	0.203	0.657	0.4	0.498	0.558	0.319	0.76	0.267	0.404	0.452	0.546
Compound_114	O=C(Nc1c(C)noc1c1ccc(cc1)Cl)NN1CCCCC1	0.358	0.714	0.821	0.599	0.585	0.58	0.006	0.868	0.487	0.099	0.207
Compound_115	CCOC(=O)c1nnn(c1N)Cc1ccccc1	0.452	0.486	0.871	0.547	0.079	0.406	0.003	0.062	0.433	0.004	0.433
Compound_116	COC(=O)c1sccc1NNC(=O)C(=CC(=O)O)C	0.299	0.534	0.536	0.285	0.435	0.626	0.813	0.164	0.446	0.951	0.357
Compound_117	COc1ccc(cc1)CC1CCC(=NOC(=O)c2cccc(c2)C(F)(F)F)CC1	0.653	0.65	0.849	0.711	0.944	0.994	0.969	0.501	0.452	0.318	0.805
Compound_118	COC(=O)C(NC(=O)CC(=O)OC)CSC(=O)Nc1ccc(cc1)SC(F)(F)F	0.161	0.345	0.923	0.666	0.794	0.433	0.109	0.793	0.362	0.125	0.534
Compound_119	Clc1ccc(c(c1)C(=O)c1ccccc1Cl)NC(=O)CN1C(=O)c2c(S1(=O)=O)cccc2	0.379	0.464	0.988	0.579	0.75	0.751	0.952	0.885	0.339	0.419	0.237
Compound_120	COC(=O)c1sccc1Oc1nccc(n1)C(F)(F)F	0.418	0.625	0.733	0.546	0.426	0.59	0.786	0.869	0.47	0.012	0.746
Compound_121	CN(C=NNS(=O)(=O)c1ccccc1)C	0.207	0.306	0.107	0.249	0.045	0.393	0.034	0.012	0.317	0.412	0.318
Compound_122	CSC(=NN=C(c1cc2c(o1)cccc2)C)N=CN(C)C	0.124	0.612	0.725	0.623	0.02	0.693	0.485	0.938	0.376	0.958	0.3
Compound_123	O=C(Nc1c(C)onc1c1ccccc1)Nc1cc(ccc1C)S(=O)(=O)N(C)C	0.372	0.515	0.538	0.562	0.594	0.605	0.957	0.421	0.387	0.435	0.395
Compound_124	O=C(Nc1csc2c1cccc2)Nc1cccc(c1)n1cccc1	0.572	0.706	0.963	0.746	0.698	0.725	0.972	0.811	0.852	0.682	0.388
Compound_125	O=S(=O)(c1ccc2c(c1)CCO2)NCC1COc2c(O1)cccc2	0.184	0.549	0.099	0.151	0.13	0.627	0.088	0.619	0.348	0.129	0.207
Compound_126	C=CCn1c(=S)[nH]nc1C(Oc1ccc(cc1)Cl)C	0.124	0.479	0.428	0.584	0.037	0.596	0.008	0.623	0.404	0.366	0.399
Compound_127	O=C(NC(=O)c1csnn1)Nc1noc(c1)C	0.26	0.402	0.522	0.32	0.452	0.662	0.01	0.058	0.604	0.405	0.482
Compound_128	O=C(C12CC3CC(C2)CC(C1)C3)Nc1ccc(cc1)F	0.916	0.592	0.916	0.686	0.782	0.865	0.589	0.842	0.382	0.987	0.757
Compound_129	C=CCn1c(nnc1c1ccccc1)Sc1ncnc2c1c1CCCCc1s2	0.562	0.645	1.0	0.725	0.556	0.692	0.954	0.966	0.651	0.266	0.189
Compound_130	N#Cc1c(C)cc(n2c1nc1c2cccc1)N=CN(C)C	0.241	0.653	0.077	0.505	0.457	0.645	0.106	0.45	0.453	0.487	0.375
Compound_131	N#CCCN(C(=S)Nc1ccc(cc1)F)Cc1ccncc1	0.403	0.498	0.019	0.425	0.257	0.719	0.045	0.567	0.56	0.852	0.465
Compound_132	O=c1[nH]nc(n1C1CCCCC1)Sc1ncccc1C(F)(F)F	0.422	0.447	0.11	0.418	0.228	0.519	0.274	0.769	0.398	0.003	0.269
Compound_133	CCCCc1ccc(c(c1)C)NC(=O)NC(=O)c1ccccc1Cl	0.859	0.511	0.842	0.476	0.871	0.944	0.988	0.556	0.533	0.882	0.575
Compound_134	Clc1cc(cnc1CSc1n[nH]c(=O)n1c1ccccc1)C(F)(F)F	0.399	0.601	0.091	0.552	0.489	0.608	0.827	0.425	0.457	0.014	0.479
Compound_135	O=C(c1ccno1)Nc1ccc2c(c1)C(=O)OC2	0.458	0.507	0.992	0.717	0.295	0.382	0.384	0.025	0.549	0.592	0.743
Compound_136	N#CCCN(C(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CC1CCCO1	0.436	0.443	0.117	0.595	0.544	0.351	0.968	0.941	0.489	0.963	0.705
Compound_137	Cn1c(=O)c(cn(c1=O)c1ccccc1)c1scc(n1)C(C)(C)C	0.541	0.644	0.106	0.531	0.182	0.863	0.163	0.646	0.623	0.323	0.407
Compound_138	CCCN(S(=O)(=O)c1ccc(c(c1)OC)OC)Cc1ccco1	0.154	0.547	0.329	0.481	0.087	0.595	0.127	0.437	0.366	0.216	0.264
Compound_139	S=C(Nc1n[nH]c(c1)c1cccs1)Nc1ccc(c(c1)Cl)Cl	0.388	0.623	0.86	0.416	0.626	0.675	0.693	0.711	0.56	0.505	0.192
Compound_140	Clc1ccc2c(c1)C(=CS2(=O)=O)CSc1cccs1	0.563	0.75	0.95	0.668	0.647	0.617	0.955	0.731	0.474	0.991	0.481
Compound_141	S=C(NCc1ccco1)NCC1ON=C(C1)c1ccccc1	0.238	0.536	0.012	0.371	0.068	0.665	0.101	0.162	0.342	0.472	0.586
Compound_142	O=C1NN=C(C1=C1SC=C(O1)c1ccccc1)c1ccccc1	0.632	0.729	0.962	0.483	0.274	0.757	0.972	0.563	0.391	0.431	0.506
Compound_143	O=C(c1ccc(cc1)n1cccn1)NCCN1CCOCC1	0.093	0.525	0.095	0.151	0.266	0.425	0.011	0.001	0.243	0.006	0.133
Compound_144	CC(Cc1ccc(cc1)C1=Nn2c(C)nnc2SC1C)C	0.44	0.582	0.268	0.399	0.292	0.666	0.772	0.611	0.776	0.374	0.333
Compound_145	NNC(=O)C(Cc1cnc[nH]1)NC(=O)OCc1ccccc1	0.253	0.489	0.881	0.283	0.25	0.696	0.013	0.484	0.441	0.011	0.255
Compound_146	O=c1[nH]nc2n1nc(c1ccccc1)c(c2c1ccccc1)c1ccccc1	0.482	0.642	0.823	0.713	0.653	0.755	0.237	0.148	0.831	0.006	0.378
Compound_147	CCCCCC=CC=C1C(CC=CCCCC(=O)O)C=CC1=O	0.645	0.458	0.395	0.221	0.612	0.081	0.931	0.472	0.34	0.953	0.378
Compound_148	CCCCCC(C=CC1C(O)CC2C1CC(O2)CCCCC(=O)O)O	0.958	0.652	0.014	0.195	0.928	0.726	0.817	0.347	0.091	0.99	0.103
Compound_149	CCCCCCCCCCCCCCCC(=O)NC(C(C=CCCCCCCCCCCCCC)O)COC1OC(CO)C(C(C1O)O)O	0.358	0.463	0.018	0.474	0.208	0.437	0.01	0.384	0.387	0.482	0.017
Compound_150	CC(=O)SCCN=C(CCN=C([C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O)O)O	0.655	0.729	0.743	0.553	0.39	0.63	0.017	0.158	0.413	0.714	0.464
Compound_151	CCCCCC(/C=C/[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC)O	0.865	0.622	0.754	0.725	0.762	0.251	0.919	0.832	0.09	0.937	0.519
Compound_152	CCCCCC(=O)C=CC1C(O)CC(C1CC=CCCCC(=O)O)O	0.947	0.749	0.04	0.247	0.844	0.713	0.726	0.245	0.224	0.939	0.159
Compound_153	CCCCCC(C=CC1C2OC(=O)CCCC=CCC1C(C2)O)O	0.95	0.581	0.156	0.63	0.894	0.72	0.61	0.828	0.282	0.987	0.118
Compound_154	CCCCCC(C=CC1CCC(C1CC=CCCCC(=O)O)O)O	0.937	0.661	0.242	0.117	0.845	0.316	0.722	0.501	0.22	0.978	0.05
Compound_155	OC(=Nc1ccccc1)N1CCCN(CC1)c1ccc(cc1N(=O)=O)C(F)(F)F	0.361	0.594	0.01	0.501	0.865	0.492	0.896	0.39	0.491	0.013	0.456
Compound_156	O=c1[nH]cnc2c1c(cs2)c1ccc2c(c1)cccc2	0.632	0.788	0.877	0.61	0.54	0.681	0.982	0.263	0.784	0.19	0.357
Compound_157	CCCCCC(=O)CCC1C(CC=CCCCC(=O)O)C=CC1=O	0.847	0.626	0.289	0.269	0.132	0.016	0.799	0.053	0.269	0.975	0.108
Compound_158	N#CCCN(C(=O)c1sc2c(c1Cl)cccc2)Cc1ccncc1	0.361	0.533	0.709	0.511	0.527	0.705	0.873	0.82	0.461	0.436	0.755
Compound_159	O=C1OC(=NC1=Cc1cccs1)c1ccc(c(c1)N(=O)=O)C	0.736	0.603	0.416	0.587	0.564	0.625	0.946	0.734	0.55	0.91	0.519
Compound_160	NNC(=O)CNC(=O)c1c(F)cccc1F	0.206	0.422	0.872	0.366	0.059	0.635	0.09	0.088	0.437	0.003	0.249
Compound_161	Cc1ccc(c(n1)N(=O)=O)OC(=O)c1sc2c(c1Cl)cccc2	0.685	0.631	0.938	0.571	0.748	0.674	0.987	0.955	0.569	0.959	0.816
Compound_162	Clc1ccc(cc1)OC(=O)C(S(=O)(=O)c1ccc(cn1)C(F)(F)F)(C)C	0.358	0.515	0.422	0.72	0.476	0.611	0.822	0.811	0.363	0.127	0.354
Compound_163	CCCCCC(=O)CCC1C=CC(=O)C1CC=CCCCC(=O)O	0.926	0.626	0.289	0.269	0.698	0.05	0.799	0.053	0.241	0.975	0.108
Compound_164	O=N(=O)c1ccc2c(c1)OCCOCCOCCO2	0.365	0.507	0.865	0.638	0.735	0.635	0.993	0.725	0.569	1.0	0.865
Compound_165	COC(=O)c1cnc(nc1C(F)(F)F)Sc1ccc(cc1)Cl	0.543	0.523	0.754	0.654	0.603	0.628	0.893	0.679	0.335	0.229	0.758
Compound_166	COC(=O)c1c(csc1C)NC(=O)c1ccccc1Cl	0.495	0.755	0.775	0.562	0.536	0.726	0.979	0.144	0.742	0.835	0.307
Compound_167	Clc1cccc(c1)C(=O)NC1CN2CCC1CC2	0.104	0.396	0.092	0.294	0.01	0.426	0.011	0.029	0.388	0.256	0.115
Compound_168	Cn1ncc2c1ncnc2N1CCCC1	0.204	0.676	0.365	0.387	0.132	0.551	0.001	0.634	0.874	0.005	0.071
Compound_169	Cc1ccc(cc1)Sc1ncnc2c1scc2	0.404	0.638	0.861	0.553	0.443	0.788	0.231	0.594	0.816	0.615	0.369
Compound_170	O=C(c1ccccc1C(=O)c1c(C)c(C)c(c(c1C)C)C)NCc1cccnc1	0.436	0.568	0.76	0.443	0.103	0.734	0.207	0.559	0.777	0.008	0.197
Compound_171	O=C(c1cc2c(o1)cccc2)CSc1nncn1c1ccc(cc1)C(F)(F)F	0.369	0.591	0.994	0.611	0.421	0.692	0.996	0.936	0.418	0.034	0.869
Compound_172	Clc1ccc(cc1)c1noc(n1)CSc1ccccc1N	0.425	0.531	0.999	0.819	0.809	0.796	0.767	0.984	0.61	0.432	0.32
Compound_173	Cn1nc(c(c1NCCCN1CCOCC1)N(=O)=O)C	0.171	0.428	0.068	0.147	0.235	0.433	0.001	0.727	0.413	0.007	0.472
Compound_174	O=S(=O)(c1cccc2c1nccc2)NCC1CCCO1	0.659	0.453	0.419	0.252	0.245	0.47	0.001	0.66	0.305	0.049	0.203
Compound_175	COc1ccc(cc1CSc1nsc(n1)SCc1cc(ccc1OC)C(=O)C)C(=O)C	0.445	0.704	0.708	0.518	0.546	0.845	0.983	0.116	0.785	0.683	0.749
Compound_176	O=C(c1cc2c(s1)cccc2)N(Cc1ccccn1)Cc1ccccn1	0.536	0.668	0.99	0.494	0.659	0.686	0.965	0.966	0.562	0.079	0.374
Compound_177	NC(=Nc1sc(c(n1)C(C)(C)C)Br)N	0.392	0.529	0.301	0.549	0.308	0.548	0.034	0.283	0.779	0.465	0.264
Compound_178	O=C(c1ccc(cc1)C)C=CC(=O)O	0.599	0.194	0.574	0.428	0.15	0.473	0.936	0.49	0.455	0.516	0.147
Compound_179	Nc1[nH]nc(n1)Nc1ccccc1	0.653	0.486	0.981	0.668	0.355	0.58	0.103	0.936	0.935	0.148	0.373
Compound_180	NC(=O)c1cccc(c1F)C(=O)N	0.815	0.369	0.159	0.317	0.005	0.222	0.627	0.006	0.8	0.293	0.331
Compound_181	Clc1ccc(cc1)CSc1n[nH]c(=O)n1C1CC2CC1C=C2	0.44	0.522	0.05	0.425	0.507	0.573	0.502	0.125	0.375	0.082	0.439
Compound_182	O=C(c1ccccc1N)NCc1ccccn1	0.374	0.629	0.584	0.382	0.022	0.131	0.001	0.191	0.784	0.006	0.696
Compound_183	COC(=O)c1cnc(c(c1)N(=O)=O)Nc1cccc(c1)C(F)(F)F	0.505	0.707	0.88	0.598	0.332	0.43	0.943	0.693	0.52	0.034	0.837
Compound_184	CSc1cccc(c1)NC(=O)CSc1nc(C)c(c(c1C#N)C)N=Nc1ccccc1	0.589	0.684	0.996	0.622	0.731	0.704	0.174	0.815	0.399	0.133	0.697
Compound_185	S=C(Nc1ccccc1C)NCc1cccnc1	0.505	0.536	0.396	0.414	0.058	0.65	0.003	0.043	0.681	0.105	0.226
Compound_186	CSc1cccc(c1)NC(=O)Cn1nc(c(c1C)Oc1ccccc1)C	0.351	0.624	0.895	0.595	0.562	0.66	0.086	0.586	0.597	0.166	0.428
Compound_187	O=C(c1cccc(c1)N(=O)=O)CSc1ccccc1C(=O)O	0.559	0.506	0.583	0.501	0.792	0.572	0.992	0.793	0.428	0.558	0.837
Compound_188	Clc1ccc(cc1)c1csc(n1)CCn1cccc(c1=O)C(F)(F)F	0.579	0.516	0.852	0.715	0.572	0.844	0.986	0.838	0.434	0.023	0.55
Compound_189	Clc1ccc(cc1)n1ncc(c1C)C(=O)NCCSCc1cccc(c1)C(F)(F)F	0.262	0.687	0.218	0.323	0.785	0.554	0.887	0.676	0.195	0.019	0.246
Compound_190	Fc1ccc(cc1)c1csc(n1)c1ccc2c(c1)OCO2	0.84	0.588	0.999	0.735	0.574	0.878	0.908	0.959	0.645	0.962	0.83
Compound_191	OC(=O)c1ccccc1C(=O)NCc1ccccc1OC(F)(F)F	0.188	0.51	0.205	0.384	0.329	0.577	0.885	0.751	0.413	0.031	0.57
Compound_192	CCCc1cnc(nc1)N1CCN(CC1)C(=S)NC	0.051	0.447	0.033	0.396	0.02	0.416	0.001	0.086	0.654	0.586	0.254
Compound_193	Cc1ccc(cc1)C(=O)CSc1nc(c(s1)C(=O)c1ccc(cc1)C)N	0.428	0.577	0.616	0.615	0.476	0.74	0.988	0.477	0.43	0.037	0.388
Compound_194	CCOC(=O)c1cnc(nc1NNC(=O)c1ccc(cc1)Cl)c1cccs1	0.362	0.657	1.0	0.542	0.518	0.68	0.95	0.537	0.511	0.08	0.272
Compound_195	Cc1onc(c1)C(=O)Nc1n(C)nc(c1c1ccccc1)C(F)(F)F	0.32	0.581	0.453	0.599	0.635	0.695	0.939	0.758	0.802	0.026	0.492
Compound_196	Clc1ccc(cc1)Oc1ccc(cn1)c1scc(n1)C	0.837	0.7	0.954	0.722	0.319	0.785	0.1	0.93	0.272	0.612	0.556
Compound_197	O=C(Nc1ccc2c(n1)cccc2)Nc1ccc(cc1)C(C)(C)C	0.708	0.652	0.997	0.665	0.895	0.967	0.639	0.846	0.735	0.211	0.279
Compound_198	NC(=Nc1ccc(cc1)Cl)N=C(N)N	0.588	0.39	0.623	0.602	0.395	0.691	0.838	0.368	0.629	0.13	0.095
Compound_199	CSc1nnc(s1)SC(=C(O)C)C(=O)C	0.587	0.484	0.847	0.512	0.5	0.444	0.981	0.081	0.433	0.618	0.759
Compound_200	N#CC(=Cc1cc(OC)c(c(c1)OC)OC)c1cccn1C	0.436	0.609	0.259	0.64	0.322	0.676	0.044	0.506	0.964	0.276	0.886
Compound_201	Clc1ccc(cc1)c1noc(c1c1ccnn1C(=O)c1ccc(cc1)Cl)C	0.52	0.557	0.715	0.719	0.756	0.6	0.986	0.179	0.533	0.468	0.574
Compound_202	COC(=O)c1cscc1NC(=O)CC(c1ccccc1)CC(=O)O	0.182	0.665	0.078	0.29	0.304	0.696	0.951	0.009	0.421	0.051	0.186
Compound_203	Fc1ccc(cc1)N=c1oc2ccccc2c(=O)n1CC(=O)c1ccccc1	0.531	0.592	0.913	0.631	0.812	0.874	0.937	0.944	0.689	0.181	0.586
Compound_204	CCOC(=O)c1sc(nc1CSc1nnc(s1)SCC1CC1)c1ccccc1	0.678	0.648	0.864	0.674	0.685	0.712	0.998	0.693	0.447	0.083	0.79
Compound_205	CCOC(=O)C1CCCN(C1)S(=O)(=O)c1ccc(c(c1)Cl)F	0.563	0.494	0.679	0.596	0.564	0.606	0.073	0.957	0.388	0.834	0.466
Compound_206	S=C(N1CCCCCC1)Nc1ccc(c(c1)C)Br	0.681	0.315	0.145	0.49	0.337	0.653	0.047	0.24	0.572	0.98	0.106
Compound_207	Cc1[nH]c(c2c1c(=O)n(C)nc2)C	0.374	0.425	0.508	0.412	0.255	0.623	0.012	0.041	0.471	0.063	0.167
Compound_208	CCOC(=O)c1c2c3cc(OC)c(cc3CCn2c(c1N=Nc1ccccc1)c1ccccc1)OC	0.512	0.774	0.998	0.803	0.81	0.782	0.939	0.987	0.641	0.055	0.664
Compound_209	CCOC(=O)c1cc(oc1C=NOC(=O)c1ccco1)c1ccc(cc1)Cl	0.382	0.509	0.994	0.664	0.235	0.475	0.835	0.64	0.459	0.954	0.87
Compound_210	O=C(c1ccccc1O)Nc1ccc(c(c1)N)Cl	0.854	0.67	0.996	0.77	0.519	0.777	0.911	0.842	0.496	0.839	0.926
Compound_211	Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)cc[nH]2	0.754	0.779	1.0	0.796	0.344	0.7	0.556	0.96	0.704	0.986	0.917
Compound_212	Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1c1cccnc1	0.445	0.628	0.107	0.518	0.374	0.711	0.003	0.152	0.577	0.433	0.229
Compound_213	CN(S(=O)(=O)Oc1ccc(cc1)c1noc(n1)c1ccc(cc1)OC(F)(F)F)C	0.324	0.519	0.861	0.773	0.788	0.863	0.704	0.972	0.31	0.484	0.517
Compound_214	C=CCSC(=Nc1ccccc1)C(c1nc2c([nH]1)cccc2)C#N	0.388	0.719	1.001	0.663	0.677	0.758	0.148	0.852	0.379	0.895	0.827
Compound_215	OC(=O)C1CN(C(=O)C1)c1ccc(cc1)OC(F)(F)F	0.408	0.504	0.207	0.429	0.67	0.254	0.836	0.837	0.339	0.004	0.375
Compound_216	N#CNC(=NCc1ccccn1)SC	0.09	0.388	0.195	0.411	0.045	0.281	0.001	0.237	0.49	0.012	0.34
Compound_217	Cc1nn(c(c1)C(=O)Nc1cc(ccc1N1CCCC1)C(F)(F)F)C	0.561	0.716	0.053	0.521	0.532	0.537	0.728	0.944	0.636	0.004	0.164
Compound_218	CCC(CNC(=S)Nc1ccc(nc1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C	0.172	0.543	0.059	0.4	0.193	0.714	0.546	0.761	0.384	0.84	0.304
Compound_219	COC(=O)Nc1nn(c(c1)C)c1ccccc1	0.282	0.547	0.51	0.444	0.362	0.658	0.154	0.282	0.905	0.036	0.467
Compound_220	CCOC(=O)N1CCN(CC1)c1ccccc1OC	0.136	0.575	0.215	0.542	0.061	0.078	0.017	0.184	0.408	0.017	0.258
Compound_221	Fc1ccc(c(c1)F)NC(=O)c1cnccc1N(C)C	0.409	0.703	0.965	0.55	0.124	0.101	0.095	0.792	0.522	0.107	0.185
Compound_222	O=C(c1csc2c1cccc2)CSc1n[nH]c(=O)n1C1Cc2c(C1)cccc2	0.434	0.527	0.978	0.456	0.614	0.651	0.193	0.265	0.391	0.054	0.39
Compound_223	COc1ccc(c(c1OCc1ccccc1)c1[nH]ncc1)OC	0.348	0.665	0.919	0.535	0.813	0.672	0.399	0.128	0.632	0.182	0.934
Compound_224	O=N(=O)c1ccc(nc1Sc1ccccc1NC(=O)c1cccs1)Sc1ccccc1NC(=O)c1cccs1	0.576	0.518	0.831	0.576	0.725	0.667	0.486	0.972	0.474	0.492	0.571
Compound_225	Cn1nc(cc1NC(=O)c1cccs1)c1ccccc1	0.633	0.574	0.538	0.592	0.415	0.755	0.093	0.931	0.524	0.085	0.144
Compound_226	COc1ccc(cc1)CN(C(=O)Nc1ccc(cc1)Cl)Cc1ccc(cc1)OC	0.858	0.726	0.971	0.734	0.846	0.982	0.34	0.393	0.464	0.064	0.232
Compound_227	CCOC(=O)N1CCN(CC1)CN1CCCCC1=O	0.073	0.335	0.3	0.24	0.019	0.128	0.001	0.109	0.258	0.257	0.266
Compound_228	Cc1noc(c1)c1ccccc1C(=O)Nc1ccccc1O	0.493	0.712	0.982	0.758	0.804	0.744	0.973	0.852	0.511	0.515	0.777
Compound_229	O=N(=O)c1c[nH]c2c(c1=O)cccc2	0.659	0.604	0.98	0.463	0.435	0.366	0.124	0.958	0.82	0.354	0.909
Compound_230	COC(=O)c1ccc(n1c1ccc(cc1)F)C=NNc1ccc(cc1)C(F)(F)F	0.558	0.556	0.083	0.535	0.78	0.635	0.973	0.929	0.585	0.245	0.482
Compound_231	Fc1ccc(cc1)S(=O)(=O)Nc1cccc2c1cc(C)nn2	0.43	0.331	0.82	0.407	0.613	0.67	0.183	0.968	0.397	0.447	0.495
Compound_232	COc1ccccc1c1nnc(n1c1ccccc1)Sc1sccc1N(=O)=O	0.736	0.655	0.69	0.665	0.643	0.691	0.505	0.936	0.77	0.669	0.841
Compound_233	COC(=O)c1c(C)nc(c(c1c1cccs1)C(=O)OC)C	0.579	0.652	0.948	0.561	0.297	0.729	0.903	0.551	0.627	0.082	0.806
Compound_234	Cn1nc(cc1NC(=O)c1nccnc1C(=O)O)c1ccccc1	0.357	0.639	0.15	0.406	0.344	0.552	0.24	0.418	0.776	0.014	0.171
Compound_235	C=CCn1c(COc2c(Br)cc(c3c2CCC3)C)n[nH]c1=S	0.376	0.619	0.345	0.555	0.666	0.656	0.167	0.468	0.447	0.915	0.422
Compound_236	CCOC(=O)c1csc(n1)NC=C(C(=O)OCC)C(=O)OCC	0.372	0.492	0.637	0.587	0.162	0.515	0.025	0.355	0.478	0.85	0.915
Compound_237	c1ccc(nc1)Oc1cccc2c1nccc2	0.75	0.803	0.955	0.597	0.149	0.513	0.559	0.961	0.152	0.997	0.958
Compound_238	O=C1Nc2ccccc2SC(C1C)C	0.303	0.512	0.913	0.514	0.709	0.185	0.791	0.433	0.445	0.764	0.319
Compound_239	CSc1ccc(s1)CNC(=O)c1c(C)noc1C	0.404	0.536	0.862	0.369	0.597	0.68	0.016	0.567	0.721	0.093	0.564
Compound_240	N#CC(=CC=C(c1ccccc1)Sc1nnnn1c1ccccc1)C#N	0.741	0.556	0.859	0.605	0.624	0.675	0.727	0.93	0.664	0.52	0.821
Compound_241	O=C(NC(=O)c1ccc(cc1)c1nnsc1)Oc1ccc(cc1)C(C)(C)C	0.58	0.538	0.908	0.596	0.787	0.949	0.963	0.933	0.846	0.253	0.636
Compound_242	Clc1ccccc1Cn1nnc2c1ncnc2Sc1nc2c(s1)cccc2	0.635	0.507	0.971	0.61	0.665	0.667	0.943	0.889	0.689	0.255	0.275
Compound_243	N#Cc1cc2c(n(c1=N)CC(C)C)nc1n(c2=O)cccc1	0.511	0.586	0.097	0.473	0.236	0.693	0.038	0.527	0.556	0.004	0.236
Compound_244	O=C(c1cccc2c1OCCCO2)Nc1ccc(cc1)c1nc2c(s1)cccc2	0.679	0.7	0.997	0.873	0.671	0.799	0.983	0.879	0.752	0.681	0.724
Compound_245	N#Cc1c2c3cc(OC)c(cc3CCn2c(c1N=Nc1ccccc1)c1cccs1)OC	0.657	0.659	0.996	0.654	0.706	0.77	0.927	0.886	0.89	0.08	0.628
Compound_246	O=C(N1CCCc2c1cccc2)c1ccc(cc1)N(C)C	0.577	0.763	0.825	0.488	0.175	0.902	0.115	0.856	0.832	0.015	0.067
Compound_247	S=C(NCC1CC1)NCCNC(=S)NCC1CC1	0.034	0.123	0.077	0.34	0.332	0.419	0.001	0.44	0.502	0.912	0.371
Compound_248	O=C(Nc1csc(n1)Cc1cscc1)Nc1cccc(c1)C(F)(F)F	0.642	0.631	0.935	0.689	0.365	0.88	0.935	0.986	0.532	0.029	0.422
Compound_249	CCCCc1c(COC)[nH]c(=S)[nH]c1=O	0.526	0.493	0.054	0.353	0.072	0.406	0.933	0.058	0.762	0.566	0.612
Compound_250	C#CCSc1nc(C)c(c(n1)OC(=O)N(C)C)Cc1c(F)cccc1Cl	0.772	0.568	0.699	0.639	0.704	0.733	0.137	0.778	0.428	0.642	0.57
Compound_251	O=C(CN1CCc2c1cccc2)NN1CC(=O)N(CC1=O)c1ccccc1	0.241	0.653	0.068	0.292	0.309	0.557	0.018	0.315	0.394	0.01	0.134
Compound_252	Clc1cc(cnc1N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(F)(F)F	0.219	0.64	0.044	0.534	0.647	0.726	0.99	0.85	0.717	0.612	0.154
Compound_253	N#CC(=CNc1ccc(c(c1)Cl)F)C(=O)NC(=O)C	0.637	0.746	0.349	0.323	0.791	0.25	0.053	0.879	0.47	0.917	0.945
Compound_254	O=C1CSc2c(N1Cc1nnc(n1C)SCc1ccccc1)cc(cc2)C(F)(F)F	0.542	0.663	0.567	0.624	0.675	0.654	0.403	0.87	0.443	0.015	0.436
Compound_255	O=C(c1ccccc1)Oc1cc(=O)n2c3c1cccc3CCC2	0.628	0.661	0.645	0.646	0.179	0.706	0.943	0.737	0.623	0.024	0.208
Compound_256	NNC(=NC12CC3CC(C2)CC(C1)C3)SC	0.482	0.377	0.356	0.381	0.254	0.656	0.118	0.534	0.395	0.093	0.319
Compound_257	Clc1ccc(cc1)NC(=C1C(=O)C(=O)N(C1=S)c1ccc(cc1)Cl)c1ccccc1	0.505	0.604	0.903	0.511	0.74	0.969	0.999	0.725	0.458	0.927	0.721
Compound_258	CCOC(=O)C(=NNc1cc([nH]n1)c1ccccc1)C#N	0.239	0.58	0.933	0.593	0.613	0.674	0.423	0.719	0.459	0.022	0.891
Compound_259	O=C(c1ccccc1)Nc1cc(nn1C(C)(C)C)C1CC1	0.613	0.596	0.429	0.59	0.252	0.777	0.251	0.878	0.823	0.253	0.368
Compound_260	Cc1nn2c(c1)ncc(c2C)C(=O)C	0.416	0.578	0.068	0.473	0.171	0.535	0.002	0.126	0.577	0.131	0.52
Compound_261	Clc1ccc(cc1)c1nc(=O)c2c([nH]1)CSC2	0.36	0.709	0.385	0.56	0.612	0.644	0.425	0.116	0.488	0.019	0.429
Compound_262	CCOC(=O)c1csc(n1)CS(=O)(=O)Cc1ccco1	0.425	0.603	0.715	0.49	0.292	0.719	0.939	0.691	0.346	0.099	0.33
Compound_263	Clc1ccc(cc1)C(=O)CSc1nnc(o1)Cn1nc(c(c1C)Br)C	0.449	0.566	0.774	0.607	0.678	0.635	0.963	0.585	0.427	0.31	0.513
Compound_264	N#CC(=CNc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(cc1)Cl	0.465	0.611	0.912	0.53	0.697	0.691	0.054	0.984	0.392	0.936	0.676
Compound_265	Fc1cc(Br)c(c(c1)Br)N=C1SCC(=O)N1Cc1cccs1	0.408	0.638	0.912	0.655	0.646	0.667	0.054	0.857	0.407	0.819	0.272
Compound_266	O=S1(=O)CC(c2c1cccc2)N1CCOCC1	0.203	0.513	0.124	0.151	0.148	0.309	0.003	0.188	0.327	0.097	0.177
Compound_267	FC(c1cc(NN=Cc2ccccc2)n2c(n1)cc(n2)C(C)(C)C)(F)F	0.47	0.743	0.26	0.535	0.717	0.754	0.377	0.97	0.291	0.746	0.427
Compound_268	O=C(Nc1ccccc1)OCC#Cc1ccc(s1)c1ccccn1	0.571	0.658	0.928	0.719	0.425	0.825	0.598	0.572	0.408	0.012	0.827
Compound_269	Cc1ccc(cc1)S(=NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C)(=O)C	0.435	0.741	0.4	0.619	0.434	0.517	0.975	0.255	0.259	0.601	0.235
Compound_270	N#CC(=CN=S(=O)(c1ccc(cn1)C(F)(F)F)C)C(=O)c1ccc(cc1)Cl	0.497	0.566	0.367	0.581	0.579	0.586	0.607	0.962	0.402	0.403	0.674
Compound_271	CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)(O)C	0.693	0.757	0.113	0.243	0.779	0.119	0.821	0.186	0.251	0.963	0.401
Compound_272	CCCCCCCCCCCCCCCCOCC(SC(=O)C)CO	0.764	0.167	0.028	0.599	0.4	0.442	0.983	0.275	0.419	0.898	0.738
Compound_273	CCCCCC(C=CC1C(O)CC(C1CCCCC(CC(=O)O)OC)O)O	0.935	0.691	0.029	0.177	0.907	0.709	0.391	0.923	0.083	0.82	0.432
Compound_274	CCC(CCC=CCC=CCC=CCC=CCCCC(=O)O)O	0.675	0.053	0.043	0.099	0.402	0.073	0.91	0.578	0.162	0.932	0.151
Compound_275	CCCCCC(C=CC1CCC(C1CCCCCCC(=O)O)O)O	0.926	0.661	0.187	0.134	0.835	0.328	0.515	0.582	0.054	0.978	0.05
Compound_276	CCCCCC=CC=C1C=CC(=O)C1CCCCCCC(=O)O	0.917	0.458	0.788	0.314	0.649	0.088	0.928	0.535	0.081	0.953	0.378
Compound_277	OC(=O)CCCC=CCC1C(O)CC(C1C=CC(C1Cc2c(C1)cccc2)O)F	0.633	0.481	0.423	0.377	0.701	0.266	0.648	0.128	0.214	0.972	0.055
Compound_278	CCCCCC(C=CC1C(O)CC2C1CC=CCCCC(=O)O2)O	0.965	0.647	0.123	0.581	0.825	0.675	0.61	0.717	0.282	0.99	0.088
Compound_279	CCCCCC(C=CC1C(O)CC2C1CC(=CCCCC(=O)O)C2)O	0.978	0.618	0.092	0.197	0.822	0.237	0.56	0.508	0.286	0.988	0.261
Compound_280	CCCCC(C(C=CC1C=CC(=O)C1CCCCCCC(=O)O)O)(C)C	0.873	0.71	0.093	0.254	0.814	0.282	0.749	0.376	0.112	0.992	0.656
Compound_281	CCCCC(C(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O)(C)C	0.716	0.71	0.104	0.243	0.781	0.276	0.756	0.293	0.301	0.992	0.656
Compound_282	CC(CCCC=CCC=CCC=CCC=CCCCC(=O)O)O	0.698	0.053	0.048	0.091	0.402	0.073	0.91	0.6	0.109	0.858	0.045
Compound_283	CCCCCC(C=CC1C2COC(C1CC=CCCCC(=O)O)C2)O	0.89	0.469	0.024	0.146	0.899	0.53	0.947	0.249	0.307	0.955	0.087
Compound_284	CCCC(CC=CCC=CCC=CCC=CCCCC(=O)O)O	0.765	0.065	0.043	0.098	0.4	0.07	0.9	0.613	0.365	0.941	0.071
Compound_285	OCC(NC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)C(F)(F)F)O)O)CO	0.397	0.531	0.056	0.446	0.746	0.711	0.234	0.595	0.177	0.384	0.155
Compound_286	CCCCCC(C=CC1C(O)CC2(C1CC(=CCCCC(=O)O)C2)C)O	0.978	0.837	0.095	0.298	0.88	0.35	0.452	0.59	0.29	0.99	0.634
Compound_287	CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)NCCO	0.427	0.353	0.011	0.306	0.339	0.565	0.074	0.403	0.243	0.103	0.077
Compound_288	CCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O	0.116	0.087	0.018	0.207	0.062	0.307	0.221	0.076	0.391	0.066	0.332
Compound_289	CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)CO	0.937	0.228	0.069	0.58	0.455	0.243	0.804	0.628	0.08	0.992	0.467
Compound_290	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO	0.821	0.228	0.069	0.58	0.467	0.26	0.624	0.628	0.166	0.992	0.467
Compound_291	COC(=O)CCCC=CCC1C(O)CC(C1C=CC(C1Cc2c(C1)cccc2)O)F	0.673	0.596	0.35	0.731	0.649	0.361	0.734	0.957	0.311	0.971	0.315
Compound_292	CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCN	0.356	0.127	0.086	0.594	0.216	0.034	0.159	0.174	0.156	0.875	0.163
Compound_293	Cc1cc(C)c(c(=O)n1NC(=S)NC1CC2CC1C=C2)C#N	0.394	0.448	0.094	0.463	0.556	0.593	0.049	0.701	0.448	0.009	0.312
Compound_294	COc1ccccc1c1nnc(n1c1ccccc1)SCC(=NN=C(Nc1ccc(c(c1)C)C)S)O	0.567	0.604	0.775	0.436	0.698	0.775	0.978	0.692	0.471	0.648	0.393
Compound_295	Cc1ccc(cc1)Sc1ncccc1NC(=O)c1ccccc1Cl	0.557	0.72	0.936	0.698	0.632	0.69	0.593	0.933	0.653	0.861	0.574
Compound_296	CCCCCC=CC=C1C(CC=CCCCC(=O)OC(CO)CO)C=CC1=O	0.742	0.52	0.22	0.492	0.571	0.403	0.82	0.624	0.271	0.984	0.663
Compound_297	Brc1cc2C=CC3(Oc2c(c1)N(=O)=O)N(C)c1c(C3(C)C)cccc1	0.682	0.742	0.294	0.635	0.647	0.652	0.946	0.941	0.607	0.994	0.663
Compound_298	CCOC(=O)C1=C(C)NC(=C(C1c1cccs1)C(=O)OCC)C	0.652	0.662	0.74	0.546	0.481	0.785	0.507	0.393	0.652	0.378	0.925
Compound_299	O=C1CSC(=N1)N1CCOCC1	0.169	0.352	0.744	0.584	0.02	0.063	0.009	0.703	0.358	0.494	0.12
Compound_300	Clc1sc(c(c1)C(=O)NCC1COc2c(O1)cccc2)Cl	0.142	0.49	0.643	0.254	0.308	0.709	0.134	0.746	0.435	0.237	0.547
Compound_301	COc1ccc(cc1)C1NC(c2ccc(cc2)OC)C(C(=O)C1C)C	0.194	0.723	0.304	0.482	0.052	0.783	0.037	0.014	0.48	0.019	0.749
Compound_302	CNC(=S)Nc1ccc(cc1)Oc1ccccc1	0.801	0.625	0.68	0.407	0.417	0.863	0.236	0.768	0.888	0.991	0.532
Compound_303	O=C(c1nn(nc1C)c1ccccc1)NCC1CC1	0.312	0.51	0.133	0.366	0.273	0.311	0.008	0.478	0.625	0.014	0.152
Compound_304	O=C(C=CC(=O)O)NCCc1ccc(cc1)Cl	0.049	0.212	0.135	0.257	0.148	0.486	0.005	0.078	0.549	0.044	0.081
Compound_305	COc1c(cccc1OC1CCCC1)C=C(C(=O)O)NC(=O)C	0.287	0.481	0.04	0.291	0.347	0.118	0.236	0.028	0.257	0.308	0.156
Compound_306	C=CCn1c(n[nH]c1=S)Cc1ccc(c(c1)OC)OC	0.153	0.492	0.603	0.569	0.006	0.551	0.008	0.549	0.413	0.879	0.221
Compound_307	OCCNC(=S)NCc1ccccc1OC	0.12	0.47	0.07	0.403	0.008	0.274	0.003	0.036	0.377	0.234	0.109
Compound_308	CCCCCC1OC1CC=CCC=CCC=CCCCC(=O)OC(CO)CO	0.908	0.362	0.033	0.551	0.826	0.344	0.808	0.628	0.154	0.972	0.447
Compound_309	Clc1ccc(cc1)Oc1c(C)nn(c1C)C(=O)c1ccccc1	0.505	0.607	0.682	0.655	0.445	0.77	0.607	0.754	0.713	0.671	0.653
Compound_310	Clc1ccc(cc1)c1scc(n1)c1c(C)onc1c1ccccc1	0.705	0.702	0.9	0.783	0.729	0.788	0.989	0.59	0.877	0.658	0.481
Compound_311	CNC(=O)NC(=S)NC(=O)c1ccc(cc1)C	0.429	0.256	0.545	0.348	0.009	0.771	0.026	0.527	0.463	0.286	0.274
Compound_312	CCOC(CC(=O)NNC(=O)c1ccc(cc1)C(F)(F)F)OCC	0.166	0.398	0.642	0.472	0.158	0.779	0.796	0.981	0.454	0.501	0.36
Compound_313	O=C(c1cnc2c(n1)cccc2)NCc1cccnc1	0.229	0.626	0.497	0.453	0.113	0.425	0.022	0.024	0.417	0.118	0.785
Compound_314	CCOC(=O)c1ccc2c(c1)CCC(=Cc1ccc(cc1Cl)Cl)C2=O	0.776	0.495	0.961	0.65	0.969	0.921	0.661	0.788	0.539	0.962	0.965
Compound_315	S=C(N1CCCC1)Nc1ccccc1C(F)(F)F	0.633	0.483	0.193	0.54	0.223	0.487	0.973	0.957	0.651	0.598	0.223
Compound_316	CCOC(=O)c1cc(C#N)c(nc1c1ccccc1)SC	0.616	0.599	0.999	0.758	0.681	0.614	0.983	0.863	0.349	0.007	0.916
Compound_317	COc1ccc(cc1)c1csc(n1)Nc1cccnc1	0.459	0.72	0.979	0.736	0.139	0.832	0.062	0.971	0.578	0.281	0.49
Compound_318	Clc1ccc(cc1)OCc1scc(n1)C(=NOC(=O)c1ccccc1)C	0.364	0.701	0.813	0.684	0.47	0.853	0.953	0.635	0.388	0.395	0.81
Compound_319	O=C(Nc1ccc(cc1)C(C)C)CSc1ncc(o1)c1ccc(cc1)Cl	0.323	0.459	0.978	0.799	0.553	0.609	0.971	0.472	0.489	0.184	0.565
Compound_320	NC(=NOC(=O)c1c(C)noc1C)COc1ccc(cc1)c1ocnn1	0.171	0.528	0.899	0.661	0.636	0.644	0.852	0.958	0.527	0.024	0.522
Compound_321	O=C(C12CCC(C2(C)C)(C(=O)O1)C)N1CCSCC1	0.137	0.681	0.051	0.532	0.139	0.464	0.041	0.38	0.397	0.601	0.227
Compound_322	CC(=NNC(=S)N)c1ccc(cc1)OCCCOc1ccc(cc1)C(=NNC(=S)N)C	0.286	0.591	0.919	0.532	0.557	0.838	0.733	0.179	0.707	0.333	0.288
Compound_323	CN1CCN(CC1)c1ccccc1C=NNC(=O)c1cccnc1	0.259	0.784	0.08	0.141	0.083	0.308	0.021	0.002	0.395	0.004	0.055
Compound_324	Fc1ccc(cc1)n1nc(cc1NS(=O)(=O)c1cccc(c1)F)c1cccs1	0.256	0.323	0.072	0.282	0.593	0.727	0.102	0.299	0.478	0.234	0.438
Compound_325	O=C(C(C)(C)C)C=C1C(=O)Nc2c1cc(Br)cc2	0.711	0.597	0.857	0.526	0.587	0.651	0.854	0.296	0.449	0.982	0.845
Compound_326	S=C(Nc1ccccc1C(F)(F)F)NNC(=O)c1csc(n1)C	0.718	0.552	0.603	0.518	0.425	0.619	0.757	0.972	0.574	0.084	0.393
Compound_327	CCOC(=O)Cc1csc2n1nc(n2)c1ccccc1	0.545	0.63	0.348	0.712	0.314	0.763	0.989	0.98	0.33	0.049	0.723
Compound_328	O=C(Nc1ccc(cc1)Cl)OCc1noc(c1)C	0.543	0.731	0.965	0.644	0.604	0.726	0.814	0.848	0.588	0.335	0.637
Compound_329	c1ccc(nc1)SCc1n[nH]nn1	0.348	0.527	0.616	0.405	0.193	0.602	0.058	0.098	0.91	0.051	0.436
Compound_330	N#CC(=CNc1ccc(cc1)OC(F)(F)F)C(=O)c1ccco1	0.517	0.603	0.72	0.561	0.296	0.493	0.1	0.933	0.441	0.081	0.958
Compound_331	CCOC(=O)c1cc(C)nc(c1C#N)N1CCC(CC1)C(=O)N	0.129	0.48	0.457	0.307	0.288	0.558	0.011	0.181	0.399	0.013	0.418
Compound_332	CC(=NNc1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)C=C(C)C	0.906	0.62	0.949	0.733	0.856	0.283	0.947	1.0	0.582	0.808	0.931
Compound_333	N#Cc1cnc(nc1N)c1cnccn1	0.446	0.76	0.248	0.474	0.408	0.408	0.018	0.076	0.949	0.492	0.603
Compound_334	COC(=O)c1sccc1NN1C(=O)c2c(C1=O)cccc2	0.348	0.526	0.643	0.505	0.5	0.635	0.848	0.785	0.469	0.646	0.333
Compound_335	N#CC(=CN1CCN(CC1)Cc1ccccc1)S(=O)(=O)c1ccc(cc1)Cl	0.185	0.491	0.13	0.208	0.559	0.708	0.007	0.775	0.366	0.161	0.479
Compound_336	N#CC(=Cc1ccc(cc1)Cl)c1nc2c(s1)cccc2	0.829	0.755	0.984	0.561	0.653	0.822	0.999	0.944	0.919	0.965	0.849
Compound_337	N#CC(=Cc1ccccn1)c1nnc(n1c1ccccc1)SCc1c(C)c(C)c(c(c1C)C)C	0.55	0.599	0.146	0.536	0.429	0.646	0.979	0.376	0.736	0.103	0.703
Compound_338	CN(CC1(CCCCC1)CC(c1cccc(c1)F)OC(=O)c1ccc(cc1)N(=O)=O)C	0.533	0.669	0.321	0.386	0.713	0.865	0.836	0.259	0.378	0.225	0.694
Compound_339	CCOC(=O)NC1=Nc2ccccc2NC=C1C#N	0.409	0.626	0.755	0.36	0.487	0.315	0.001	0.652	0.376	0.06	0.893
Compound_340	CCCSc1ncccc1C(=O)Nc1c(C)noc1C	0.264	0.625	0.555	0.545	0.439	0.46	0.006	0.212	0.6	0.249	0.449
Compound_341	CCOC(=O)c1sc2c(c1N)c(c(s2)C(=O)OCC)c1ccco1	0.357	0.604	0.978	0.688	0.67	0.657	0.999	0.927	0.419	0.296	0.97
Compound_342	N#Cc1c(=O)[nH]c2c(c1c1cccnc1)c(C)nn2c1ccccc1	0.585	0.676	0.415	0.533	0.527	0.513	0.313	0.228	0.559	0.011	0.53
Compound_343	Cc1cc(C)c2c(n1)sc1c2ncnc1Sc1nnc(o1)c1ccncc1	0.639	0.631	0.927	0.634	0.642	0.655	0.942	0.801	0.47	0.054	0.386
Compound_344	Fc1ccc(cc1)S(=O)(=O)CCSc1nccc(n1)c1cccs1	0.585	0.518	0.833	0.587	0.371	0.791	0.438	0.42	0.413	0.102	0.165
Compound_345	NCCOc1ccc(cc1)OC	0.201	0.236	0.326	0.579	0.18	0.304	0.017	0.025	0.247	0.002	0.01
Compound_346	O=C1OC(c2c1cccc2)(c1ccccc1)c1ccccc1	0.921	0.651	0.888	0.588	0.887	0.877	0.998	0.096	0.489	0.828	0.887
Compound_347	CC(=O)Nc1cccc(c1)OCCCNC(=O)C1CCCCC1	0.104	0.545	0.035	0.479	0.357	0.315	0.025	0.769	0.428	0.045	0.081
Compound_348	N#Cc1cnc(nc1N)N1CCN(CC1)C	0.092	0.483	0.047	0.194	0.069	0.17	0.001	0.011	0.776	0.045	0.467
Compound_349	Cc1onc(c1)NC(=O)C(=O)NC1CCCCNC1=O	0.068	0.404	0.215	0.262	0.509	0.363	0.002	0.049	0.377	0.102	0.279
Compound_350	O=C(Nc1ccccc1)CSCc1nnc(n1C)SCC(=O)Nc1cccc(c1)Cl	0.533	0.545	0.897	0.732	0.616	0.868	0.954	0.437	0.448	0.335	0.45
Compound_351	Cc1ccc(c(n1)N(=O)=O)OS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.731	0.509	0.933	0.682	0.688	0.674	0.159	0.988	0.424	0.427	0.535
Compound_352	c1ccc(cc1)C1=NC(C(N1)c1ccccc1)c1ccccc1	0.273	0.639	0.285	0.458	0.13	0.865	0.277	0.093	0.413	0.245	0.664
Compound_353	CCOC(=O)c1cc(C(=O)OC)c(nc1SCC(=O)OC)C	0.5	0.502	0.963	0.563	0.29	0.567	0.941	0.109	0.435	0.059	0.818
Compound_354	CSc1nc(nc(c1C#N)c1ccco1)N1CCCC1	0.314	0.567	0.216	0.585	0.419	0.638	0.045	0.614	0.511	0.155	0.53
Compound_355	O=C(N1CCCN(CC1)C(=O)c1cccs1)OC(C)(C)C	0.214	0.464	0.016	0.527	0.241	0.522	0.014	0.942	0.407	0.105	0.346
Compound_356	OC(CSc1ccc(cn1)C(F)(F)F)COc1ccc(cn1)C(F)(F)F	0.459	0.464	0.032	0.611	0.485	0.549	0.936	0.261	0.11	0.121	0.854
Compound_357	O=C(c1ccccc1)N1CCC2(CC1)OCCO2	0.117	0.588	0.298	0.471	0.01	0.839	0.174	0.212	0.388	0.037	0.128
Compound_358	COc1cc(nc2c1cc(C#CCOC(=O)c1cccs1)cc2)C(F)(F)F	0.603	0.661	0.961	0.566	0.864	0.876	0.998	0.882	0.404	0.106	0.861
Compound_359	NC(=S)SC(c1cscc1)CC(=O)c1ccccc1	0.437	0.494	0.165	0.46	0.223	0.775	0.972	0.03	0.567	0.276	0.18
Compound_360	O=C(c1cc(oc1C)c1cccs1)NCCNc1nccc(n1)C(F)(F)F	0.411	0.643	0.948	0.387	0.614	0.659	0.773	0.386	0.414	0.003	0.566
Compound_361	CCCCC1(C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)C1CC(=O)N(C1=O)c1cc(F)ccc1F	0.66	0.627	0.777	0.592	0.87	0.76	0.885	0.706	0.411	0.743	0.464
Compound_362	CCc1cccc(c1NC(=O)C(Cl)Cl)CC	0.784	0.435	0.728	0.612	0.877	0.343	0.998	0.971	0.567	0.974	0.534
Compound_363	O=C(c1ccc(nc1C)C(F)(F)F)NN1CCOCC1	0.178	0.559	0.897	0.475	0.267	0.477	0.17	0.951	0.38	0.046	0.173
Compound_364	O=C(NCc1sccc1C)CCC(=O)O	0.155	0.504	0.072	0.125	0.119	0.252	0.145	0.014	0.448	0.003	0.055
Compound_365	CC1=C(N2CCOCC2)C(=NCCN1)C	0.064	0.39	0.008	0.136	0.239	0.042	-0.0	0.026	0.273	0.011	0.211
Compound_366	Nc1sc(c(c1C(=O)c1cccs1)C)C	0.389	0.68	0.519	0.464	0.313	0.641	0.984	0.646	0.483	0.675	0.85
Compound_367	O=C(c1ccco1)NCCNc1nccc(n1)C(F)(F)F	0.107	0.495	0.647	0.296	0.136	0.358	0.06	0.746	0.373	0.007	0.535
Compound_368	CSc1sc(cc1S(=O)(=O)C(C)C)C(=O)NC(=S)Nc1ccccc1Cl	0.547	0.451	0.291	0.454	0.664	0.684	0.799	0.567	0.444	0.989	0.33
Compound_369	CC(Cn1c(SCC(=O)c2ccc(cc2)Br)nc2c(c1=O)cccc2)C	0.505	0.488	0.598	0.493	0.33	0.617	0.822	0.294	0.401	0.367	0.235
Compound_370	O=C(Nc1ccccc1)CSCc1nnc(n1C)SCc1ccc(cc1)OC(F)(F)F	0.463	0.554	0.82	0.66	0.615	0.835	0.363	0.329	0.355	0.025	0.54
Compound_371	O=S1(=O)CCN(CC1)CC1COc2c(O1)cccc2	0.053	0.615	0.077	0.115	0.137	0.24	0.069	0.249	0.371	0.815	0.206
Compound_372	CCOC(=O)Cn1cnc2c(c1=O)oc1c2c(cc(n1)c1ccccc1)c1ccccc1	0.552	0.676	0.975	0.764	0.514	0.592	0.995	0.946	0.369	0.388	0.578
Compound_373	FC(c1ccc(cc1)c1nnc2n1nc(cc2)NC1CC1)(F)F	0.326	0.652	0.448	0.674	0.523	0.77	0.496	0.952	0.684	0.017	0.351
Compound_374	COc1ccc(cc1)c1nc(N)nc(c1)C(F)(F)F	0.478	0.561	0.934	0.806	0.743	0.752	0.616	0.981	0.188	0.199	0.855
Compound_375	NNC(=O)CON=Cc1ccc(cc1Cl)Cl	0.368	0.45	0.927	0.459	0.377	0.709	0.17	0.747	0.428	0.061	0.391
Compound_376	CN(CC1COC(=O)C1=O)C	0.068	0.308	0.031	0.177	0.018	0.069	0.026	0.132	0.215	0.089	0.124
Compound_377	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc2c(c1)OCCO2	0.177	0.501	0.067	0.379	0.398	0.487	0.159	0.074	0.194	0.384	0.285
Compound_378	O=C(c1ccco1)Nc1ccc2c(c1)cccc2	0.536	0.695	0.988	0.718	0.145	0.631	0.994	0.995	0.468	0.928	0.824
Compound_379	ON=C1CCCCC1Cn1cncc1	0.756	0.451	0.562	0.522	0.597	0.882	0.061	0.129	0.473	0.209	0.351
Compound_380	c1ccc(cc1)c1cc(Sc2nnc(o2)c2ccncc2)n2c(n1)ncn2	0.443	0.565	0.165	0.734	0.65	0.655	0.946	0.046	0.478	0.511	0.714
Compound_381	COC(=O)c1cc(OC)c(cc1NC(=O)c1cnc(nc1C(F)(F)F)N(C)C)OC	0.343	0.538	0.808	0.512	0.355	0.499	0.645	0.566	0.403	0.085	0.534
Compound_382	OCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)CC	0.3	0.534	0.003	0.229	0.153	0.445	0.011	0.018	0.135	0.085	0.345
Compound_383	CCn1c(nnc1c1cccs1)Sc1ncnc2c1sc1c2c(C)cc(n1)C	0.617	0.65	0.925	0.559	0.604	0.671	0.935	0.767	0.582	0.656	0.233
Compound_384	CCOC(=O)C1CCN(CC1)C(=O)c1cccnc1Oc1ccccc1	0.513	0.556	0.385	0.617	0.056	0.211	0.266	0.661	0.362	0.384	0.398
Compound_385	Clc1ccc(cc1)c1nccc(n1)c1sc(nc1C)C	0.534	0.701	0.958	0.761	0.43	0.763	0.425	0.911	0.754	0.049	0.026
Compound_386	NNC(=O)c1csc(n1)c1ccc(cc1)C(F)(F)F	0.57	0.499	0.993	0.608	0.46	0.718	0.932	0.998	0.683	0.029	0.344
Compound_387	Clc1ccc(c(c1)Cl)OC(=O)C(Oc1nn(c(c1)C(F)(F)F)C)(C)C	0.499	0.649	0.059	0.736	0.519	0.4	0.741	0.885	0.497	0.819	0.538
Compound_388	Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C(=O)C	0.836	0.668	0.864	0.611	0.692	0.453	0.789	0.865	0.43	0.14	0.146
Compound_389	Clc1cc(ccc1Cl)C1Nc2ccccc2c2n1c1ccccc1n2	0.383	0.728	0.995	0.756	0.724	0.726	0.942	0.951	0.571	0.742	0.227
Compound_390	CC(=O)NCCc1ccc(cc1)OC(=O)C	0.035	0.385	0.148	0.341	0.037	0.235	0.01	0.05	0.411	0.001	0.0
Compound_391	Fc1cc(ccc1F)c1s/c(=N\c2ccccc2)/n(c1)c1ccccc1	0.492	0.718	0.944	0.759	0.835	0.814	0.994	0.6	0.795	0.907	0.219
Compound_392	O=C(NC1CCN(CC1)Cc1ccccc1)CSCC(=O)O	0.104	0.344	0.012	0.12	0.051	0.231	0.008	0.007	0.373	0.034	0.081
Compound_393	COc1cc2c(CC)[nH]c(=O)cc2cc1OC	0.62	0.755	0.528	0.494	0.246	0.375	0.508	0.064	0.886	0.002	0.357
Compound_394	S=c1scc(n1N(C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)N(=O)=O	0.689	0.59	0.945	0.804	0.672	0.941	0.988	0.984	0.433	0.86	0.553
Compound_395	COc1ccc(cc1)OCC(CNC(=O)c1nccnc1C(=O)O)O	0.108	0.514	0.008	0.333	0.287	0.266	0.001	0.202	0.336	0.028	0.312
Compound_396	O=C(C1COc2c(O1)cccc2)N1CCN(CC1)C(=O)c1snnc1C	0.161	0.62	0.277	0.493	0.21	0.633	0.148	0.832	0.157	0.575	0.32
Compound_397	COc1ccc(cc1CSC(=NS(=O)(=O)c1ccccc1)Nc1cccc(c1Cl)Cl)C(=O)C	0.482	0.542	0.913	0.524	0.672	0.832	0.894	0.833	0.429	0.755	0.285
Compound_398	N#CN=C(N=c1nc(n(n1C)C)SC)SC	0.161	0.313	0.19	0.467	0.245	0.218	0.005	0.092	0.428	0.883	0.716
Compound_399	Clc1cccc(c1)N(C(=O)c1ccc(cc1)N(=O)=O)c1nc2c(s1)cccc2	0.801	0.676	0.998	0.504	0.574	0.869	0.991	0.975	0.564	0.939	0.305
Compound_400	CC1CCc2c(C1)sc1c2c(=O)n(c(=S)[nH]1)c1ccccc1	0.554	0.6	0.164	0.372	0.543	0.761	0.988	0.229	0.795	0.6	0.084
Compound_401	CCOC(=O)C1=C(Nc2ccc(cc2)OC(=O)C)C(=O)N(C1)C(C)(C)C	0.341	0.564	0.836	0.662	0.298	0.457	0.011	0.716	0.425	0.772	0.701
Compound_402	CCOC(=O)NC(=O)C(=CNc1sc(c(c1C(=O)OCC)C)C)C#N	0.44	0.501	0.847	0.343	0.309	0.467	0.071	0.314	0.412	0.884	0.901
Compound_403	CCOC(=O)c1ccc(cc1)NC(=S)Nc1ncccc1C	0.184	0.689	0.905	0.54	0.058	0.82	0.321	0.018	0.511	0.041	0.356
Compound_404	COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)C1SCCS1	0.785	0.698	0.949	0.741	0.699	0.646	0.637	0.178	0.392	0.928	0.374
Compound_405	S=C1NCN(CN1)CCc1ccccn1	0.044	0.3	0.026	0.095	0.051	0.811	0.001	0.365	0.866	0.338	0.174
Compound_406	C=C1S/C(=N\c2cc(C)c(c(c2)C)C)/N(C1(C)C)C(=O)c1c(F)cccc1F	0.316	0.716	0.734	0.659	0.244	0.725	0.981	0.946	0.405	0.994	0.446
Compound_407	COC(=O)c1ccc(c(c1)NC(=O)c1ccncc1)C	0.171	0.765	0.686	0.541	0.023	0.335	0.01	0.007	0.418	0.021	0.237
Compound_408	CSc1cccc(c1)NC(=O)CC1(CCCC1)CC(=O)O	0.286	0.46	0.74	0.487	0.303	0.563	0.095	0.07	0.175	0.003	0.311
Compound_409	N#CCCON=Cc1ccco1	0.323	0.336	0.178	0.51	0.136	0.582	0.097	0.946	0.421	0.345	0.931
Compound_410	C#CCOC(=O)Nc1cnc(c(c1)C(F)(F)F)Sc1ccccc1	0.666	0.527	0.731	0.644	0.469	0.63	0.749	0.968	0.405	0.041	0.864
Compound_411	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(CO)CO	0.072	0.2	0.026	0.424	0.057	0.282	0.02	0.343	0.269	0.117	0.082
Compound_412	CCCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1	0.417	0.535	0.075	0.19	0.121	0.768	0.002	0.051	0.342	0.601	0.14
Compound_413	CCCCCC=CCC=CCC=CCCCCCCC(=O)OC	0.935	0.006	0.474	0.632	0.35	0.052	1.0	0.987	0.289	1.0	0.914
Compound_414	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(COP(=O)(O)O)C	0.169	0.13	0.016	0.347	0.126	0.143	0.067	0.464	0.306	0.201	0.159
Compound_415	CCCCCCCCCCCCCCCC(=N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)COP(=O)(OCC[N+](C)(C)C)[O-])O	0.535	0.274	0.019	0.472	0.461	0.141	0.035	0.743	0.286	0.061	0.397
Compound_416	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCOP(=O)(O)O	0.182	0.12	0.002	0.284	0.119	0.112	0.052	0.355	0.371	0.135	0.14
Compound_417	CCCCCCCCCCCCCC=CC(C(NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC)CO)O	0.29	0.196	0.019	0.443	0.131	0.384	0.012	0.348	0.306	0.05	0.059
Compound_418	CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O	0.116	0.087	0.018	0.207	0.062	0.307	0.221	0.076	0.391	0.066	0.332
Compound_419	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2	0.232	0.433	0.022	0.303	0.594	0.451	0.556	0.535	0.415	0.278	0.397
Compound_420	CCCC(=O)N(c1ccc(cc1)OC)C1CCN(CC1)CCc1ccccc1	0.26	0.607	0.143	0.266	0.394	0.979	0.048	0.11	0.544	0.184	0.097
Compound_421	Cc1ccc(cc1)CCN1CCC(CC1)N(c1ccccc1)C(=O)C	0.379	0.54	0.076	0.228	0.157	0.837	0.015	0.055	0.449	0.181	0.056
Compound_422	CC(=O)N(c1ccccc1)C1CCNCC1	0.294	0.372	0.029	0.352	0.024	0.094	0.0	0.005	0.231	0.015	0.033
Compound_423	O=C(N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)c1ccco1	0.239	0.645	0.027	0.179	0.126	0.689	0.323	0.409	0.356	0.314	0.08
Compound_424	CC(C(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1)C	0.389	0.558	0.076	0.151	0.133	0.821	0.003	0.037	0.227	0.167	0.046
Compound_425	COCC1(CCNCC1)N(c1ccccc1)C(=O)CC	0.58	0.529	0.099	0.301	0.037	0.173	0.001	0.019	0.246	0.002	0.127
Compound_426	CCCCC[C@@H](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)NCCCCCNC(=O)CCCC[C@H]1SC[C@H]2[C@@H]1NC(=O)N2)O	0.339	0.574	0.02	0.247	0.864	0.723	0.008	0.176	0.396	0.386	0.3
Compound_427	CCCC(=O)N(c1ccc(cc1)F)C1CCN(CC1)CCc1ccccc1	0.524	0.538	0.306	0.2	0.193	0.712	0.002	0.119	0.622	0.519	0.107
Compound_428	CCC(=O)N(c1ccccc1)C1CCN(CC1)CC(c1cccs1)O	0.594	0.456	0.042	0.23	0.305	0.705	0.003	0.246	0.287	0.142	0.054
Compound_429	Clc1ccc(cc1)S(=O)(=O)/N=C/1\CCCCN1CCc1ccc(cc1)N(=O)=O	0.278	0.345	0.708	0.662	0.582	0.799	0.163	0.873	0.405	0.603	0.475
Compound_430	CCCCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1	0.34	0.568	0.075	0.19	0.113	0.926	0.009	0.127	0.373	0.586	0.131
Compound_431	Clc1ccc(cc1)S(=O)(=O)N=C1CCCCN1CCc1ccccc1	0.11	0.35	0.65	0.666	0.309	0.833	0.006	0.504	0.397	0.222	0.212
Compound_432	O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)O)C)OC(=O)C)CC)COC1OC(C)C(C(C1OC)OC)O)C	0.098	0.86	0.017	0.147	0.862	0.886	0.006	0.167	0.362	0.476	0.837
Compound_433	CC[NH+]=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)c2c1cccc2	0.731	0.726	0.435	0.532	0.915	0.968	0.458	0.807	0.96	0.997	0.896
Compound_434	O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)OC(=O)CC(C)C)C)OC(=O)C)CC)COC1OC(C)C(C(C1OC)OC)O)C	0.108	0.85	0.037	0.147	0.862	0.886	0.006	0.199	0.384	0.667	0.845
Compound_435	COC(=O)Nc1nc2c([nH]1)cc(cc2)C(c1ccccc1)O	0.287	0.804	0.242	0.461	0.515	0.739	0.839	0.393	0.322	0.233	0.892
Compound_436	CCCNCC1(O)C(C)OC(CC1(C)OC)OC1C(C)C(=O)OC(CC)C(C)(O)C(O)C(NCC(CC(C(C1C)OC1OC(C)CC(C1O)N(C)C)(C)O)C)C	0.09	0.605	-0.0	0.193	0.215	0.265	0.005	0.134	0.223	0.239	0.187
Compound_437	CCCS(=O)(=O)c1ccc2c(c1)[nH]c(n2)N	0.388	0.411	0.351	0.465	0.487	0.668	0.036	0.018	0.366	0.19	0.337
Compound_438	CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC	0.952	0.747	0.912	0.751	0.829	0.994	0.865	0.997	0.95	0.994	0.879
Compound_439	CN1C(=O)C23CC4C1(CN2CCC3(C)O)CC1(C4(C)C)CNc2c1ccc1c2OC=CC(O1)(C)C	0.738	0.739	0.127	0.391	0.59	0.616	0.16	0.385	0.385	0.278	0.418
Compound_440	O=C(Cn1cnc2c(c1=O)cc(c(c2)Br)Cl)CC1NCCCC1O	0.407	0.421	0.755	0.413	0.341	0.652	0.015	0.554	0.392	0.039	0.195
Compound_441	CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC	0.955	0.747	0.92	0.775	0.829	0.994	0.865	0.997	0.943	0.994	0.879
Compound_442	COC(=O)Nc1nc2c([nH]1)cc(cc2)S(=O)(=O)c1ccccc1	0.294	0.516	0.511	0.469	0.551	0.669	0.064	0.204	0.539	0.153	0.643
Compound_443	Fc1ccc(cc1)C(=O)c1ccc2c(c1)[nH]c(n2)N	0.505	0.704	0.582	0.528	0.47	0.764	0.948	0.18	0.47	0.884	0.775
Compound_444	OCCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.836	0.544	0.062	0.587	0.77	0.848	0.195	0.223	0.237	0.567	0.348
Compound_445	O=C(c1ccc2c(c1)[nH]c(n2)N)c1ccccc1	0.424	0.726	0.645	0.528	0.413	0.774	0.95	0.107	0.501	0.856	0.867
Compound_446	CC(CCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2)O	0.708	0.495	0.215	0.612	0.552	0.621	0.993	0.737	0.486	0.007	0.125
Compound_447	Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O	0.898	0.738	0.83	0.81	0.801	0.736	0.968	0.995	0.499	0.968	0.967
Compound_448	CC(CCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2)O	0.665	0.558	0.405	0.645	0.561	0.605	0.993	0.751	0.492	0.005	0.118
Compound_449	COc1cc(Br)c(cc1CCNCc1ccccc1OC)OC	0.168	0.494	0.37	0.398	0.126	0.636	0.072	0.092	0.384	0.022	0.259
Compound_450	COc1cc(Cl)c(cc1CCNCc1ccccc1OC)OC	0.112	0.494	0.37	0.398	0.45	0.545	0.039	0.092	0.332	0.012	0.268
Compound_451	COc1cc(C)c(cc1CCNCc1ccccc1OC)OC	0.062	0.494	0.209	0.389	0.125	0.432	0.084	0.073	0.313	0.003	0.101
Compound_452	COc1cc(CC)c(cc1CCNCc1ccccc1OC)OC	0.071	0.508	0.209	0.404	0.125	0.432	0.084	0.043	0.313	0.01	0.211
Compound_453	COc1ccc(c(c1)CCNCc1ccccc1OC)OC	0.061	0.494	0.209	0.415	0.102	0.278	0.045	0.045	0.261	0.003	0.101
Compound_454	FCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.609	0.677	0.22	0.543	0.309	0.271	0.665	0.878	0.483	0.866	0.565
Compound_455	CNC(C(=O)c1cccc(c1)F)C	0.059	0.18	0.498	0.376	0.01	0.061	0.003	0.082	0.249	0.349	0.076
Compound_456	Cc1ccc(cc1)Nc1nc2ccc(cc2c(=O)o1)C	0.401	0.701	0.992	0.641	0.906	0.982	0.988	0.986	0.875	0.034	0.229
Compound_457	CNC(C(c1ccc(cc1)F)O)C	0.006	0.239	0.183	0.277	0.005	0.009	0.001	0.014	0.616	0.051	0.102
Compound_458	CCCCCn1cc(c2c1cccc2O)C(=O)c1cccc2c1cccc2	0.689	0.61	0.438	0.707	0.9	0.771	0.993	0.987	0.776	0.275	0.661
Compound_459	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.467	0.558	0.12	0.329	0.291	0.334	0.734	0.441	0.28	0.009	0.159
Compound_460	CCCCCn1cc(c2c1cccc2)C(=O)O	0.344	0.626	0.041	0.395	0.207	0.228	0.148	0.849	0.72	0.031	0.336
Compound_461	CCCCCn1c(O)c(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.791	0.655	0.334	0.645	0.898	0.6	0.994	0.958	0.542	0.255	0.26
Compound_462	FCCCCCn1cc(c2c1cccc2)C(=O)O	0.411	0.576	0.076	0.428	0.303	0.25	0.191	0.842	0.624	0.14	0.545
Compound_463	CCCCCn1cc(c2c1ccc(c2)O)C(=O)c1cccc2c1cccc2	0.779	0.61	0.537	0.667	0.87	0.873	0.992	0.976	0.785	0.275	0.661
Compound_464	CCCCCn1cc(c2c1cc(O)cc2)C(=O)c1cccc2c1cccc2	0.726	0.61	0.542	0.695	0.933	0.819	0.982	0.969	0.785	0.275	0.661
Compound_465	CCCCCn1cc(c2c1c(O)ccc2)C(=O)c1cccc2c1cccc2	0.802	0.573	0.445	0.68	0.585	0.729	0.991	0.993	0.776	0.328	0.438
Compound_466	CCNC(C(c1ccccc1)O)C	0.001	0.141	0.004	0.053	0.003	0.007	0.0	0.002	0.032	0.117	0.04
Compound_467	OCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.75	0.408	0.618	0.628	0.523	0.697	0.997	0.561	0.371	0.02	0.19
Compound_468	CCCCn1cc(c2c1cccc2O)C(=O)c1cccc2c1cccc2	0.672	0.649	0.438	0.704	0.9	0.771	0.993	0.974	0.783	0.108	0.554
Compound_469	CC(C(C(=O)N)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F)C	0.56	0.609	0.234	0.383	0.734	0.659	0.955	0.405	0.528	0.03	0.607
Compound_470	CCCCn1cc(c2c1ccc(c2)O)C(=O)c1cccc2c1cccc2	0.762	0.649	0.537	0.677	0.87	0.873	0.992	0.956	0.791	0.108	0.554
Compound_471	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.67	0.434	0.239	0.421	0.59	0.724	0.998	0.667	0.42	0.007	0.058
Compound_472	OC(=O)CCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)N)C(C)C	0.442	0.607	0.009	0.31	0.447	0.483	0.68	0.194	0.282	0.076	0.391
Compound_473	CCCCn1cc(c2c1cc(O)cc2)C(=O)c1cccc2c1cccc2	0.708	0.649	0.542	0.702	0.933	0.819	0.982	0.952	0.792	0.108	0.554
Compound_474	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.695	0.406	0.468	0.433	0.623	0.656	0.995	0.517	0.419	0.005	0.094
Compound_475	CCCCn1cc(c2c1c(O)ccc2)C(=O)c1cccc2c1cccc2	0.781	0.577	0.445	0.677	0.585	0.729	0.991	0.984	0.783	0.134	0.345
Compound_476	OC(=O)CCCCn1cc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.342	0.517	0.036	0.3	0.098	0.174	0.278	0.085	0.166	0.13	0.451
Compound_477	OCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.676	0.381	0.618	0.61	0.612	0.693	0.996	0.404	0.376	0.008	0.162
Compound_478	OC(=O)CCCCn1nc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.458	0.627	0.011	0.289	0.483	0.51	0.598	0.192	0.31	0.326	0.546
Compound_479	OC(=O)CCCCn1nc(c2c1cccc2)C(=O)NC12C[C@@H]3C[C@H](C2)C[C@H](C1)C3	0.572	0.681	0.198	0.406	0.651	0.655	0.921	0.911	0.365	0.02	0.467
Compound_480	CCCC(C(=O)c1ccccc1)N1CCCC1	0.109	0.41	0.061	0.11	0.012	0.083	0.011	0.25	0.408	0.875	0.099
Compound_481	OC(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.456	0.519	0.144	0.362	0.44	0.484	0.772	0.645	0.767	0.5	0.318
Compound_482	OCCCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.846	0.544	0.062	0.587	0.77	0.848	0.195	0.223	0.237	0.567	0.348
Compound_483	CCCCCCC(c1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)CO)(C)C)(C)C	0.701	0.618	0.082	0.563	0.853	0.883	0.188	0.738	0.629	0.839	0.922
Compound_484	O=C(c1cccc2c1cccc2)c1cn(c2c1c(O)ccc2)CCN1CCOCC1	0.693	0.658	0.762	0.507	0.875	0.664	0.977	0.446	0.424	0.469	0.639
Compound_485	Oc1ccc2c(c1)n(CCN1CCOCC1)cc2C(=O)c1cccc2c1cccc2	0.747	0.658	0.808	0.545	0.911	0.709	0.954	0.671	0.431	0.469	0.639
Compound_486	COc1cc(ccc1OC)C(=O)NCc1ccc(cc1)OCCN(C)C	0.047	0.434	0.013	0.662	0.039	0.621	0.004	0.013	0.245	0.002	0.021
Compound_487	C1CN=C(O1)NC(C1CC1)C1CC1	0.053	0.363	0.14	0.308	0.21	0.409	0.0	0.057	0.517	0.465	0.508
Compound_488	CN(CCC=C1c2ccsc2SCc2c1cccc2)C	0.212	0.565	0.001	0.202	0.55	0.652	0.629	0.007	0.451	0.139	0.897
Compound_489	OC(=O)c1ccc(c(c1)O)N	0.234	0.398	0.607	0.449	0.27	0.258	0.937	0.166	0.443	0.023	0.609
Compound_490	COc1ccccc1OCC1CNC(=O)O1	0.066	0.207	0.518	0.26	0.093	0.095	0.087	0.324	0.356	0.045	0.169
Compound_491	O=C(Oc1cccc(c1)c1cccc(c1)C(=O)N)NC1CCCCC1	0.188	0.606	0.669	0.533	0.204	0.966	0.822	0.452	0.234	0.094	0.127
Compound_492	CCCCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.694	0.559	0.559	0.632	0.825	0.762	0.996	0.828	0.494	0.332	0.588
Compound_493	O=C(Oc1ccc(c(c1)c1cccc(c1)C(=O)N)O)NC1CCCCC1	0.276	0.651	0.511	0.528	0.494	0.95	0.678	0.827	0.284	0.079	0.116
Compound_494	FCCCCCN1C(=O)C(=NNC(=O)C2C(C2(C)C)(C)C)c2c1cccc2	0.361	0.676	0.749	0.502	0.323	0.373	0.863	0.981	0.351	0.652	0.106
Compound_495	OC(CN1CCN(CC1)c1nccc(n1)C(F)(F)F)CSc1ccccc1	0.093	0.438	0.006	0.247	0.664	0.533	0.562	0.529	0.373	0.321	0.553
Compound_496	CCOC(=O)c1cc(C(=O)OC)c(nc1N1CCCN(CC1)Cc1ccc(cc1)F)C	0.313	0.752	0.244	0.205	0.5	0.451	0.012	0.071	0.403	0.634	0.439
Compound_497	O=N(=O)c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1	0.932	0.661	0.994	0.852	0.92	0.722	0.879	0.968	0.65	0.962	0.935
Compound_498	O=C(c1cc2ccccc2oc1=O)Nc1ccc2c(c1)COCO2	0.432	0.782	0.999	0.729	0.418	0.918	0.965	0.773	0.592	0.941	0.789
Compound_499	O=C(Nc1ccc(cc1)C(C)(C)C)CSc1nccn1C	0.682	0.628	0.78	0.538	0.263	0.817	0.793	0.153	0.554	0.106	0.444
Compound_500	Fc1ccc(cc1)n1c(=S)[nH]nc1C(c1ccccc1)(c1ccccc1)O	0.767	0.621	0.03	0.497	0.474	0.91	0.916	0.02	0.594	0.728	0.626
Compound_501	Fc1cccc(c1)S(=O)(=O)Oc1ncccc1C(F)(F)F	0.703	0.415	0.682	0.716	0.436	0.404	0.969	0.949	0.338	0.663	0.368
Compound_502	COc1cc(Cl)c(cc1n1c(CCc2onc(n2)c2ccc(cc2)Cl)n[nH]c1=S)OC	0.505	0.571	0.654	0.608	0.68	0.692	0.824	0.637	0.592	0.529	0.369
Compound_503	CSc1nnc(s1)SCC(=O)c1ccc2c(c1)OCCO2	0.483	0.578	0.938	0.588	0.614	0.739	0.805	0.8	0.381	0.087	0.722
Compound_504	O=C(Nc1c(C)cccc1C)CSC(=O)c1sc2c(c1Cl)cccc2	0.407	0.478	0.95	0.551	0.73	0.78	1.0	0.445	0.405	0.621	0.5
Compound_505	O/N=C(/c1cc2c(o1)ccc(c2)N(=O)=O)\C	0.351	0.579	0.995	0.453	0.235	0.775	0.908	0.978	0.432	0.994	0.683
Compound_506	CC(NC(=O)c1cc(nn1Cc1ccc(cc1Cl)Cl)C(C)(C)C)C	0.517	0.779	0.519	0.362	0.617	0.621	0.485	0.799	0.258	0.591	0.331
Compound_507	O=C(C(F)(F)F)NCCc1ccncc1	0.032	0.324	0.126	0.258	0.029	0.106	0.021	0.254	0.418	0.008	0.19
Compound_508	Cc1ccc(cc1)S(=O)(=O)CCNC(=O)c1c(C)onc1c1c(Cl)cccc1Cl	0.21	0.529	0.577	0.47	0.801	0.679	0.549	0.349	0.363	0.121	0.211
Compound_509	Clc1cc(cc(c1)Cl)NC(=O)c1nn(nc1C)c1ccccc1	0.61	0.62	0.933	0.837	0.742	0.553	0.978	0.971	0.811	0.329	0.34
Compound_510	S=C1NCN(CN1)CCCn1cncc1	0.146	0.306	0.017	0.289	0.286	0.641	0.001	0.15	0.801	0.201	0.161
Compound_511	Fc1ccc(cc1)Oc1nc(NCCSC(C)(C)C)nc(n1)Oc1ccc(cc1)F	0.519	0.568	0.402	0.508	0.685	0.597	0.727	0.258	0.599	0.295	0.414
Compound_512	Brc1csc(c1)c1nc(N)nc(c1)c1ccc(c(c1)C)Cl	0.487	0.679	0.961	0.673	0.629	0.756	0.915	0.317	0.622	0.564	0.124
Compound_513	Cc1nn(c(c1)C)c1ccc(cc1)S(=O)(=O)N	0.162	0.327	0.002	0.152	0.414	0.407	0.101	0.045	0.165	0.022	0.366
Compound_514	Cc1ccc(c(n1)N(=O)=O)Oc1ncccc1N(=O)=O	0.492	0.683	0.67	0.593	0.374	0.525	0.007	0.905	0.704	0.918	0.697
Compound_515	Cc1nn(C)c(=O)c(c1c1[nH]nc(c1)c1ccc(c(c1)Cl)Cl)N	0.474	0.704	0.941	0.548	0.64	0.654	0.843	0.412	0.567	0.06	0.25
Compound_516	CCOC1=NC(=Cc2[nH]c(c(c2C(=O)OC)CC(=O)OC)OCC)C(=C1CC(=O)OC)C(=O)OC	0.743	0.51	0.328	0.428	0.53	0.648	0.328	0.148	0.463	0.307	0.944
Compound_517	OC(=O)C(=CC(=O)O)Sc1ccc(cc1)C(C)(C)C	0.342	0.32	0.164	0.36	0.838	0.432	0.659	0.12	0.554	0.863	0.843
Compound_518	O=c1nc(N)[nH]c(c1Br)N	0.205	0.288	0.188	0.495	0.289	0.019	0.007	0.05	0.672	0.025	0.256
Compound_519	CC(N(c1ccccc1)C(=O)CCC(=O)O)C1CC1	0.696	0.483	0.111	0.283	0.306	0.156	0.177	0.039	0.362	0.005	0.073
Compound_520	CCOC(=O)N1CCC(=NNc2ccc(cc2N(=O)=O)N(=O)=O)CC1	0.612	0.453	0.746	0.592	0.602	0.433	0.013	0.525	0.445	0.694	0.397
Compound_521	O=C1NC(=O)NC(=O)C1=Cc1ccncc1	0.213	0.543	0.343	0.344	0.055	0.333	0.002	0.177	0.336	0.066	0.55
Compound_522	COc1ccc(cc1)OCCC(=O)NNC(=S)Nc1cc(Cl)ccc1Cl	0.46	0.612	0.376	0.502	0.596	0.659	0.982	0.263	0.449	0.795	0.367
Compound_523	COCCCNC(=S)NNC(=O)CSCc1c(C)c(C)c(c(c1C)C)C	0.228	0.47	0.195	0.316	0.15	0.505	0.047	0.01	0.452	0.294	0.275
Compound_524	NNC(=O)CS(=O)Cc1cccc(c1)C(F)(F)F	0.416	0.251	0.949	0.474	0.214	0.429	0.37	0.968	0.403	0.009	0.437
Compound_525	OC(=N)N/N=C/c1ccc(o1)c1ccc(cc1N(=O)=O)C(F)(F)F	0.38	0.629	0.946	0.572	0.621	0.739	0.918	0.987	0.414	0.052	0.87
Compound_526	Nc1ccccc1SCC=CCSc1ccccc1N	0.539	0.546	0.995	0.663	0.915	0.68	0.931	0.981	0.754	0.979	0.869
Compound_527	O=C(Nc1ccc(cc1)Cl)NCCc1c[nH]c2c1cccc2	0.366	0.477	1.0	0.629	0.68	0.754	0.949	0.937	0.617	0.068	0.349
Compound_528	ClC(C(=O)Nc1c(Br)cc(cc1Br)C)Cl	0.893	0.441	0.869	0.592	0.627	0.626	0.997	0.988	0.598	0.991	0.525
Compound_529	CCOC(=O)c1c(sc(c1C)C)NS(=O)(=O)c1cccc2c1nsn2	0.448	0.452	0.678	0.395	0.5	0.627	0.699	0.06	0.312	0.346	0.233
Compound_530	O=C(c1ccc(o1)N(=O)=O)Oc1ccccc1C(=O)C	0.242	0.545	0.588	0.525	0.281	0.528	0.966	0.892	0.722	0.99	0.478
Compound_531	N#CNC(=NC1CCCCNC1=O)SC	0.061	0.312	0.077	0.29	0.087	0.155	0.001	0.246	0.407	0.022	0.27
Compound_532	O=N(=O)c1c(nc[nH]c1=NCc1ccco1)NCc1ccco1	0.44	0.415	0.711	0.378	0.144	0.529	0.002	0.594	0.313	0.22	0.771
Compound_533	O=C(c1ccc(cc1)F)CC(=O)N	0.434	0.251	0.106	0.319	0.027	0.648	0.427	0.024	0.431	0.067	0.099
Compound_534	O=C1C2CCN(C1CSc1ccc(cc1)Cl)CC2	0.292	0.417	0.912	0.351	0.508	0.62	0.053	0.936	0.275	0.951	0.633
Compound_535	COc1cc(nc2c1cc(C#CCOC(=O)c1ccccc1)cc2)C(F)(F)F	0.57	0.6	0.992	0.649	0.979	0.929	0.998	0.811	0.398	0.094	0.862
Compound_536	N#CC(=Cc1ccc(s1)C#Cc1ccccc1)C(=O)c1cccs1	0.693	0.823	0.153	0.576	0.689	0.812	0.993	0.749	0.437	0.977	0.823
Compound_537	CC(C(=O)c1ccccc1)N1CCCC1	0.086	0.336	0.096	0.042	0.011	0.1	0.021	0.058	0.263	0.059	0.063
Compound_538	CCCCC(C(=O)c1ccc(cc1)C)N1CCCC1	0.109	0.488	0.063	0.115	0.018	0.17	0.6	0.49	0.212	0.881	0.088
Compound_539	CCCCCn1cc(c2c1cccc2)C(=O)Cc1cccc(c1)OC	0.434	0.745	0.651	0.616	0.525	0.701	0.927	0.533	0.273	0.136	0.754
Compound_540	CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)c1cc(ccc1I)N(=O)=O	0.783	0.68	0.882	0.433	0.493	0.438	0.626	0.513	0.385	0.105	0.619
Compound_541	CCCCCCc1ccc(cc1OCCCCCCCCCCC(=O)NC1CC1)O	0.218	0.653	0.181	0.485	0.312	0.615	0.058	0.223	0.517	0.379	0.287
Compound_542	CCCCCn1cc(cc1c1ccccc1)C(=O)c1cccc2c1cccc2	0.774	0.555	0.626	0.736	0.5	0.66	0.987	0.973	0.811	0.27	0.586
Compound_543	CCCCCc1cc(OCCCCCCCCCCC(=O)NC2CC2)cc(c1)O	0.238	0.575	0.297	0.479	0.245	0.295	0.355	0.43	0.482	0.316	0.215
Compound_544	CCCCCn1cc(cc1c1ccccc1Cl)C(=O)c1cccc2c1cccc2	0.761	0.54	0.894	0.797	0.795	0.661	0.998	0.957	0.791	0.473	0.827
Compound_545	CC(Cc1ccc2c(c1)occ2)N	0.042	0.473	0.479	0.426	0.003	0.616	0.137	0.098	0.478	0.223	0.238
Compound_546	COc1ccc(cc1)C(=O)c1c(C)n(c2c1ccc(c2)I)CCN1CCOCC1	0.912	0.688	0.954	0.451	0.833	0.735	0.186	0.06	0.348	0.042	0.843
Compound_547	CC(Cc1ccc2c(c1)cco2)N	0.05	0.473	0.479	0.439	0.005	0.825	0.063	0.068	0.478	0.223	0.238
Compound_548	COc1ccc(cc1)C1(CCCCC1)N1CCCCC1	0.171	0.413	0.387	0.295	0.035	0.882	0.001	0.013	0.399	0.008	0.198
Compound_549	COc1cccc(c1)C1(CCCCC1)N1CCCCC1	0.123	0.413	0.392	0.268	0.039	0.605	0.001	0.019	0.243	0.008	0.198
Compound_550	COc1cc(OC)c(cc1CC(N)C)OC	0.22	0.09	0.699	0.532	0.046	0.101	0.007	0.042	0.638	0.03	0.076
Compound_551	CCN(CCc1c[nH]c2c1c(O)ccc2)C	0.147	0.582	0.604	0.265	0.544	0.645	0.003	0.134	0.397	0.435	0.65
Compound_552	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1Br	0.449	0.527	0.787	0.536	0.308	0.682	0.855	0.899	0.705	0.733	0.655
Compound_553	CCNC(C(=O)c1ccccc1C)C	0.053	0.169	0.073	0.183	0.005	0.027	0.0	0.005	0.199	0.545	0.145
Compound_554	Cc1cccc(c1)C(=O)C(N1CCCC1)C	0.077	0.344	0.096	0.062	0.008	0.087	0.007	0.118	0.457	0.043	0.054
Compound_555	CCC(C(=O)c1ccc(cc1)C)NC	0.028	0.166	0.463	0.301	0.008	0.094	0.001	0.101	0.199	0.375	0.059
Compound_556	COC(=O)C1CC(O)C(=O)C2C1(C)CCC1C2(C)CC(OC1=O)c1cocc1	0.596	0.907	0.059	0.563	0.031	0.223	0.979	0.326	0.55	0.168	0.972
Compound_557	CC(N(C(C)C)CCc1c[nH]c2c1cccc2)C	0.076	0.539	0.562	0.169	0.241	0.667	0.315	0.096	0.495	0.082	0.163
Compound_558	FCCCCCn1cc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3	0.578	0.593	0.242	0.553	0.293	0.491	0.934	0.933	0.353	0.683	0.52
Compound_559	CC(=O)C(c1ccccc1F)N	0.266	0.158	0.509	0.553	0.009	0.074	0.05	0.235	0.547	0.547	0.182
Compound_560	C=CCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.516	0.571	0.255	0.559	0.254	0.28	0.638	0.926	0.328	0.278	0.412
Compound_561	O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)OC(C(F)(F)F)C(F)(F)F	0.107	0.547	0.229	0.261	0.669	0.571	0.415	0.704	0.298	0.017	0.376
Compound_562	O=C(N(Cc1cccc(c1)c1ccncc1)C)OC(C(F)(F)F)C(F)(F)F	0.166	0.662	0.532	0.756	0.289	0.299	0.406	0.839	0.216	0.003	0.492
Compound_563	BrCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.577	0.687	0.22	0.543	0.403	0.461	0.615	0.878	0.456	0.855	0.593
Compound_564	CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)Br	0.768	0.569	0.763	0.614	0.654	0.666	0.995	0.973	0.613	0.806	0.583
Compound_565	COc1ccc(c(c1)CC/N=C/c1ccccc1OC)OC	0.306	0.572	0.857	0.622	0.247	0.43	0.066	0.141	0.268	0.014	0.224
Compound_566	CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C	0.846	0.576	0.047	0.604	0.832	0.931	0.232	0.148	0.343	0.91	0.731
Compound_567	COCCn1/c(=N/C(=O)C2C(C2(C)C)(C)C)/sc(c1C)C	0.211	0.564	0.313	0.514	0.066	0.421	0.16	0.047	0.449	0.778	0.557
Compound_568	OCCC1(CO)CCC2(O1)C(C)CCC1C2(C)CCC(C1(C)CO)O	0.853	0.822	0.009	0.601	0.671	0.691	0.484	0.546	0.173	0.613	0.452
Compound_569	CCCC(C(=O)c1ccc(cc1)OC)N1CCCC1	0.124	0.456	0.119	0.25	0.098	0.785	0.038	0.127	0.428	0.284	0.128
Compound_570	CCCC(C(=O)c1ccc(c(c1)OC)OC)N1CCCC1	0.093	0.484	0.121	0.145	0.043	0.385	0.041	0.22	0.374	0.096	0.137
Compound_571	CNC(Cc1ccc2c(c1)occ2)C	0.018	0.498	0.516	0.349	0.002	0.499	0.075	0.044	0.183	0.311	0.227
Compound_572	CNC(Cc1ccc2c(c1)CCO2)C	0.065	0.489	0.474	0.305	0.026	0.674	0.01	0.141	0.277	0.401	0.379
Compound_573	COc1cc(ccc1O)CC(N)C	0.191	0.106	0.495	0.546	0.045	0.077	0.006	0.081	0.474	0.051	0.084
Compound_574	CCCCCCCn1cc(cc1c1ccccc1)C(=O)c1cccc2c1cccc2	0.823	0.559	0.626	0.736	0.5	0.66	0.987	0.973	0.832	0.906	0.644
Compound_575	COc1cc(SC)c(cc1CCNCc1ccccc1OC)OC	0.253	0.464	0.259	0.398	0.519	0.603	0.051	0.035	0.256	0.006	0.238
Compound_576	CCCCCCCC(C(=O)c1ccccc1)N1CCCC1	0.203	0.454	0.061	0.113	0.018	0.122	0.105	0.357	0.342	0.879	0.155
Compound_577	COC(=O)C(C(C)(C)C)OC(=O)c1nn(c2c1cccc2)CC1CCCCC1	0.565	0.794	0.63	0.547	0.465	0.528	0.063	0.527	0.602	0.543	0.591
Compound_578	CNCC1CCc2c(C1=O)cccc2	0.143	0.472	0.216	0.225	0.007	0.188	0.005	0.057	0.416	0.033	0.067
Compound_579	Cc1[nH]c2c(c1C(=O)c1cccc3c1cccc3)cccc2	0.607	0.612	0.984	0.58	0.856	0.714	0.998	0.955	0.809	0.558	0.975
Compound_580	CCCCCCC(C(=O)c1ccccc1)N1CCCC1	0.188	0.454	0.061	0.113	0.018	0.122	0.105	0.357	0.322	0.879	0.155
Compound_581	COC(=O)C(C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F	0.653	0.719	0.848	0.501	0.78	0.574	0.959	0.706	0.433	0.271	0.489
Compound_582	CCCCCCC(C(=O)c1ccc(cc1)F)N1CCCC1	0.272	0.499	0.192	0.13	0.031	0.111	0.117	0.342	0.333	0.86	0.125
Compound_583	COC(=O)[C@H](C(C)(C)C)NC(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.522	0.664	0.226	0.498	0.276	0.328	0.942	0.67	0.393	0.616	0.239
Compound_584	Fc1ccc(cc1)Cn1nc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2	0.708	0.653	0.978	0.579	0.716	0.586	0.996	0.514	0.252	0.029	0.626
Compound_585	O=C(OC1CCC2C1(C)CCC1C2CCC2=CC(=O)C=CC12C)CCC1CCCC1	0.96	1.0	0.364	0.905	0.965	0.777	0.109	0.94	0.185	0.998	0.097
Compound_586	FCCCCCn1nc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)OC	0.583	0.705	0.259	0.51	0.589	0.463	0.572	0.987	0.419	0.777	0.397
Compound_587	CCCC(C(=O)c1ccc2c(c1)CCO2)N1CCCC1	0.205	0.563	0.133	0.28	0.169	0.757	0.137	0.872	0.454	0.954	0.5
Compound_588	CC1N=C(OC1c1ccc(cc1)C)N	0.155	0.305	0.312	0.427	0.008	0.191	0.008	0.108	0.414	0.006	0.15
Compound_589	CNC(C(=O)c1ccc(cc1)Cl)C	0.065	0.177	0.367	0.369	0.053	0.157	0.004	0.044	0.346	0.706	0.142
Compound_590	CCNC(Cc1ccc2c(c1)cco2)C	0.016	0.443	0.162	0.315	0.005	0.775	0.042	0.035	0.14	0.727	0.31
Compound_591	CCCC(c1ccc2c(c1)OC(C1C2CC(=CC1)C)(C)C)(C)C	0.539	0.474	0.21	0.666	0.477	0.877	0.109	0.519	0.583	0.999	0.952
Compound_592	COc1cc(C(=O)CN)c(cc1Br)OC	0.48	0.246	0.418	0.534	0.144	0.639	0.033	0.018	0.393	0.02	0.139
Compound_593	CCCCCC1=CC(=O)C(=C(C1=O)O)C1C=C(C)CCC1C(=C)C	0.933	0.64	0.308	0.593	0.402	0.603	0.494	0.949	0.351	0.449	0.729
Compound_594	FCCCCCn1nc(c2c1cccc2)C(=O)Oc1cccc2c1cccc2	0.652	0.643	0.637	0.626	0.886	0.683	0.997	0.823	0.836	0.896	0.614
Compound_595	CCC(C(=O)c1ccc(cc1)OC)N1CCCC1	0.09	0.466	0.199	0.262	0.062	0.748	0.01	0.097	0.345	0.225	0.181
Compound_596	Brc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1F	0.79	0.752	0.748	0.794	0.681	0.653	0.884	0.238	0.541	0.071	0.372
Compound_597	CCCCCC(C(=O)c1ccc(cc1)F)N1CCCC1	0.233	0.499	0.192	0.13	0.031	0.111	0.117	0.342	0.296	0.86	0.125
Compound_598	CCCCC(C(=O)c1ccc2c(c1)OCO2)N1CCCC1	0.221	0.628	0.703	0.168	0.096	0.499	0.051	0.591	0.264	0.92	0.461
Compound_599	FCCCCCn1cc(c2c1cccc2)C(=O)NC(C(=O)OC)C(C)C	0.505	0.737	0.161	0.509	0.17	0.126	0.631	0.938	0.307	0.41	0.296
Compound_600	Fc1ccc(cc1)Cn1nc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3	0.713	0.685	0.852	0.492	0.833	0.71	0.986	0.964	0.403	0.185	0.469
Compound_601	NC(=O)C(C(C)(C)C)NC(=O)n1c2ccccc2n(c1=O)CCC(O)(C)C	0.587	0.527	0.049	0.361	0.282	0.428	0.004	0.092	0.376	0.012	0.252
Compound_602	CCCCCn1c2ccc(cc2c2c1cccc2)C(=O)c1cccc2c1cccc2	0.743	0.583	0.247	0.636	0.872	0.932	0.999	0.941	0.487	0.473	0.603
Compound_603	CCCC(C(=O)c1ccc(cc1)C)NCC	0.03	0.184	0.049	0.212	0.007	0.081	0.001	0.241	0.307	0.892	0.034
Compound_604	Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1Cl	0.878	0.772	0.947	0.789	0.695	0.888	0.915	0.272	0.914	0.128	0.797
Compound_605	FCCCCCn1nc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2	0.651	0.623	0.85	0.596	0.661	0.583	0.995	0.785	0.189	0.467	0.483
Compound_606	Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.609	0.618	0.906	0.523	0.595	0.397	0.891	0.417	0.489	0.588	0.686
Compound_607	CCCCCn1cc(c2c1cc(OC)cc2)C(=O)c1cccc2c1cccc2	0.662	0.75	0.632	0.703	0.831	0.808	0.993	0.624	0.808	0.208	0.733
Compound_608	COC(=O)C(C(C)C)NC(=O)c1nn(c2c1cccc2)CC1CCCCC1	0.576	0.79	0.418	0.545	0.569	0.528	0.846	0.904	0.428	0.877	0.244
Compound_609	FCCCCCn1ccc2c1cccc2	0.853	0.498	0.76	0.63	0.23	0.563	0.36	0.791	0.885	0.945	0.505
Compound_610	CCCCCn1ccc(c1)C(=O)c1cccc2c1cccc2	0.807	0.555	0.306	0.536	0.126	0.463	0.151	0.694	0.805	0.502	0.439
Compound_611	CC(CCCn1ccc2c1cccc2)F	0.832	0.607	0.625	0.601	0.195	0.474	0.606	0.861	0.789	0.069	0.535
Compound_612	CCCCn1cc(c2c1cccc2)C(=O)c1c(C)ccc2c1cccc2	0.632	0.572	0.394	0.618	0.551	0.681	0.997	0.965	0.784	0.132	0.56
Compound_613	CCCC(Cn1ccc2c1cccc2)F	0.82	0.563	0.893	0.664	0.195	0.474	0.606	0.888	0.815	0.944	0.582
Compound_614	CNCC(Cc1ccc2c(c1)OCO2)C	0.113	0.301	0.597	0.259	0.034	0.529	0.003	0.029	0.144	0.663	0.237
Compound_615	CCC(C(=O)c1cccs1)N1CCCC1	0.235	0.439	0.035	0.143	0.235	0.587	0.416	0.472	0.369	0.878	0.338
Compound_616	CCNC(C(=O)c1ccc(cc1)CC)C	0.033	0.137	0.063	0.289	0.007	0.081	0.001	0.117	0.201	0.693	0.09
Compound_617	FCCCCCn1cc(c2c1cccc2)C(=O)Oc1cccc2c1cccc2	0.653	0.65	0.643	0.591	0.886	0.74	0.993	0.849	0.854	0.951	0.679
Compound_618	FCCCCCn1c2ccccc2nc1C(=O)c1cccc2c1cccc2	0.319	0.689	0.555	0.607	0.657	0.762	0.993	0.977	0.673	0.956	0.464
Compound_619	Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)Oc1cccc2c1cccc2	0.701	0.574	0.934	0.584	0.921	0.692	0.994	0.65	0.809	0.687	0.78
Compound_620	FCCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1nccc2	0.599	0.7	0.923	0.596	0.152	0.492	0.993	0.945	0.538	0.674	0.459
Compound_621	FCCCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)N)C(C)C	0.479	0.541	0.021	0.435	0.518	0.553	0.58	0.924	0.524	0.258	0.539
Compound_622	COc1cc(Cl)c(cc1CCNCc1cc(OC)c(c(c1)OC)OC)OC	0.103	0.502	0.37	0.448	0.355	0.568	0.077	0.047	0.542	0.017	0.254
Compound_623	CCOC(=O)CNC(=O)C1CCCN1C(=O)Cc1ccccc1	0.092	0.426	0.108	0.296	0.017	0.022	0.074	0.312	0.34	0.181	0.105
Compound_624	NCCc1cc(OC)c(cc1OC)C(F)(F)F	0.313	0.288	0.253	0.632	0.101	0.091	0.152	0.068	0.272	0.001	0.145
Compound_625	FCCCCCn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3	0.673	0.552	0.606	0.565	0.655	0.477	0.763	0.878	0.225	0.736	0.834
Compound_626	CCCCCn1cc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.379	0.567	0.096	0.397	0.102	0.165	0.155	0.174	0.543	0.108	0.551
Compound_627	CCCC(C(=O)c1ccccc1)NCC	0.044	0.194	0.047	0.194	0.007	0.051	0.001	0.188	0.408	0.72	0.033
Compound_628	CN(C(Cc1ccc2c(c1)OCO2)C)C	0.146	0.459	0.78	0.193	0.015	0.494	0.01	0.703	0.136	0.849	0.573
Compound_629	CNC(Cc1ccc2c(c1)cco2)C	0.019	0.498	0.516	0.337	0.004	0.757	0.032	0.031	0.183	0.311	0.227
Compound_630	CCNC(C(=O)c1cccc(c1)C)C	0.05	0.137	0.08	0.2	0.004	0.06	0.001	0.08	0.396	0.693	0.09
Compound_631	CCNC1(CCCCC1=O)c1ccccc1	0.088	0.28	0.08	0.341	0.007	0.096	0.01	0.004	0.085	0.115	0.231
Compound_632	CNC(C(=O)c1ccccc1C)C	0.051	0.098	0.456	0.301	0.004	0.027	0.001	0.039	0.24	0.394	0.267
Compound_633	CCNC(C(=O)c1cc(C)c2c(c1)OCO2)C	0.088	0.367	0.558	0.262	0.012	0.447	0.007	0.044	0.257	0.125	0.555
Compound_634	CNC(C(=O)c1cccc(c1C)C)C	0.071	0.098	0.456	0.301	0.005	0.034	0.0	0.036	0.379	0.394	0.267
Compound_635	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1	0.421	0.531	0.335	0.538	0.346	0.37	0.867	0.836	0.59	0.359	0.606
Compound_636	CCCN(CCc1c[nH]c2c1cccc2)CCC	0.078	0.473	0.299	0.166	0.242	0.664	0.184	0.176	0.682	0.682	0.216
Compound_637	CCCC(=O)C(c1ccccc1)NC	0.12	0.104	0.23	0.366	0.008	0.039	0.006	0.019	0.259	0.036	0.057
Compound_638	O=C(c1c[nH]c2c1cccc2)c1cccc2c1cccc2	0.555	0.696	0.984	0.58	0.588	0.675	0.986	0.952	0.81	0.855	0.978
Compound_639	COc1cc2CC(Cc2cc1C)N	0.19	0.424	0.769	0.561	0.101	0.515	0.005	0.121	0.814	0.148	0.588
Compound_640	CCC(Cc1c[nH]c2c1c(C)ccc2)N	0.218	0.479	0.907	0.393	0.19	0.616	0.025	0.655	0.649	0.177	0.298
Compound_641	C1CCN(CC1)C1(CCCCC1)c1cc2c(s1)cccc2	0.494	0.443	0.912	0.173	0.299	0.511	0.009	0.298	0.584	0.146	0.133
Compound_642	COc1cc(OC)cc(c1CC(N)C)OC	0.125	0.107	0.757	0.56	0.056	0.136	0.012	0.02	0.697	0.04	0.094
Compound_643	COc1cc(I)c(cc1CC/N=C/c1ccccc1OC)OC	0.399	0.542	0.868	0.654	0.44	0.589	0.066	0.447	0.286	0.024	0.464
Compound_644	CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.544	0.782	0.088	0.276	0.185	0.351	0.071	0.033	0.381	0.242	0.295
Compound_645	Clc1cc2[nH]c(nc2cc1Oc1cccc(c1Cl)Cl)S(=O)(=O)C	0.564	0.435	0.996	0.6	0.677	0.663	0.561	0.825	0.444	0.756	0.365
Compound_646	Clc1cc2[nH]c(nc2cc1Oc1cccc(c1Cl)Cl)S(=O)C	0.556	0.472	0.995	0.567	0.679	0.664	0.561	0.895	0.489	0.986	0.576
Compound_647	CCN(c1ccc2c(c1)oc1c(n2)c2ccccc2c(=[NH2+])c1)CC	0.387	0.728	0.946	0.568	0.588	0.452	0.298	0.928	0.791	0.946	0.825
Compound_648	O=C(Nc1ccc(cc1)Cl)ONC(=N)c1csc(c1)N(=O)=O	0.64	0.489	0.988	0.718	0.538	0.746	0.785	0.635	0.638	0.997	0.531
Compound_649	CN(c1ccc(cc1)C(=C1C=CC(=[NH+]c2ccccc2)c2c1cccc2)c1ccc(cc1)N(C)C)C	0.601	0.701	0.879	0.507	0.975	0.983	0.982	0.797	0.992	0.997	0.983
Compound_650	O=C1C2CC=CCC2C(=O)N1c1cccc(n1)N1C(=O)C2C(C1=O)CC=CC2	0.424	0.518	0.453	0.626	0.554	0.752	0.048	0.663	0.74	0.712	0.427
Compound_651	CSC(=CC(=O)c1ccc(cc1)Cl)SC	0.942	0.453	0.844	0.711	0.594	0.719	0.989	0.531	0.511	0.993	0.404
Compound_652	O=N(=O)c1ccc(cc1)c1n[nH]nn1	0.889	0.431	0.992	0.748	0.341	0.655	0.853	0.856	0.691	0.569	0.896
Compound_653	COC(=O)c1ccccc1CSc1nccc(n1)C(F)(F)F	0.724	0.572	0.356	0.597	0.352	0.511	0.857	0.601	0.441	0.019	0.8
Compound_654	COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1Sc1ncnc2c1scc2C	0.549	0.587	0.287	0.349	0.633	0.675	0.755	0.236	0.484	0.03	0.18
Compound_655	C1CCN2C(C1)CSC2=Nc1ccc2c(c1)OCO2	0.278	0.518	0.944	0.566	0.333	0.588	0.016	0.234	0.384	0.893	0.256
Compound_656	CCCCNC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1	0.044	0.307	0.016	0.154	0.037	0.647	0.009	0.008	0.448	0.311	0.054
Compound_657	OC(CN1CCC(CC1)C(=N)O)COc1ccc(cc1N(=O)=O)C	0.145	0.411	0.076	0.348	0.647	0.669	0.01	0.451	0.384	0.55	0.209
Compound_658	O=C(c1cccs1)NNc1ccc(cc1)S(=O)(=O)N	0.231	0.191	0.024	0.165	0.417	0.615	0.078	0.054	0.406	0.007	0.333
Compound_659	COc1ccc(cc1)NNC(=O)c1c(C)onc1c1c(F)cccc1Cl	0.505	0.675	0.981	0.612	0.819	0.772	0.992	0.939	0.556	0.882	0.48
Compound_660	N#CCc1ccc(cc1)NC(=O)Nc1ccc(cc1)OC(F)(F)F	0.593	0.576	0.944	0.736	0.976	0.887	0.989	0.895	0.663	0.053	0.877
Compound_661	O=C(Nc1ccccc1)Nc1cccc(c1)S(=O)(=O)N	0.255	0.218	0.031	0.237	0.331	0.708	0.023	0.015	0.28	0.001	0.111
Compound_662	O=C(c1c(C)nc2n1cccc2)NNS(=O)(=O)c1ccc(s1)c1ccccn1	0.505	0.468	0.137	0.427	0.659	0.652	0.907	0.38	0.489	0.032	0.404
Compound_663	O=C(c1cccnc1Oc1ccccc1)Nc1cccc(c1)S(=O)(=O)N	0.568	0.178	0.033	0.364	0.232	0.566	0.348	0.027	0.261	0.001	0.173
Compound_664	CC(=O)Nc1ccc(cn1)NC(=O)c1nccnc1C(=O)O	0.154	0.686	0.221	0.397	0.152	0.443	0.092	0.057	0.335	0.123	0.127
Compound_665	O=C(c1nccnc1C(=O)O)Nc1ccccc1N1CCOCC1	0.264	0.625	0.319	0.485	0.225	0.298	0.023	0.597	0.443	0.442	0.605
Compound_666	COC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1)c1cn2c(n1)SCC2	0.547	0.478	0.633	0.552	0.432	0.73	0.806	0.713	0.445	0.037	0.168
Compound_667	COc1ccc(cc1NC(=O)Nc1ccc(cc1)N1CCCCC1)Cl	0.401	0.598	0.968	0.689	0.522	0.492	0.369	0.793	0.656	0.689	0.284
Compound_668	O=N(=O)c1ccc(cc1)N1CCC(CC1)n1cccc1	0.645	0.506	0.583	0.57	0.18	0.824	0.061	0.859	0.487	0.151	0.624
Compound_669	CCOC(=O)c1ccccc1c1c2cc(C)c(=NCC)cc2oc2c1cc(C)c(c2)NCC	0.819	0.95	0.999	0.876	0.512	0.632	0.102	0.967	0.401	0.948	0.918
Compound_670	Clc1ccc(cc1)CSc1ncnc2c1sc1c2c(c2ccccc2)c(nn1)c1ccccc1	0.489	0.638	0.985	0.695	0.668	0.69	0.973	0.822	0.795	0.02	0.388
Compound_671	COc1cc(ccc1OC)C(=O)NCc1ccco1	0.158	0.447	0.721	0.428	0.015	0.384	0.049	0.178	0.354	0.003	0.166
Compound_672	CCOC(=O)c1cnn(c1N)C(=O)c1snnc1C	0.373	0.417	0.972	0.519	0.296	0.608	0.038	0.168	0.575	0.015	0.433
Compound_673	O=C(c1ccc2c(c1)cccn2)NCc1ccccc1	0.459	0.555	0.966	0.525	0.189	0.702	0.923	0.774	0.635	0.204	0.745
Compound_674	O=C(CN1C(=O)c2c(S1(=O)=O)cccc2)NCc1ccccc1	0.15	0.468	0.187	0.264	0.095	0.621	0.123	0.025	0.275	0.021	0.103
Compound_675	O=C(NC1Cc2c(C1)cccc2)CSc1nnnn1c1ccccc1	0.214	0.535	0.359	0.285	0.49	0.744	0.619	0.015	0.345	0.378	0.383
Compound_676	Cc1scc(n1)c1ccc(s1)S(=O)(=O)Nc1ccc2c(c1)OCCO2	0.524	0.584	0.963	0.614	0.603	0.707	0.388	0.268	0.438	0.245	0.238
Compound_677	O=C(NC1Cc2c(C1)cccc2)CSc1nc2c([nH]1)cc(cc2)C	0.107	0.559	0.62	0.463	0.539	0.696	0.917	0.106	0.347	0.877	0.67
Compound_678	O=C(c1csc(n1)c1cccc2c1CCO2)Nc1ccc2c(c1)OCCO2	0.623	0.699	0.992	0.821	0.647	0.75	0.92	0.992	0.462	0.741	0.8
Compound_679	c1ccc(cc1)CN1CCC(=N1)C=Cc1ccco1	0.319	0.582	0.537	0.607	0.036	0.773	0.219	0.549	0.544	0.1	0.295
Compound_680	O=c1c2cc(ccc2oc2c1cccc2)NS(=O)(=O)C	0.515	0.758	0.961	0.682	0.283	0.942	0.973	0.807	0.477	0.712	0.695
Compound_681	CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(C(C2O)N(C)C)O)C(CCN2CCCCC2)CC(C(=O)C=CC(=CC1CN1CCCCC1)C)C	0.324	0.679	0.061	0.241	0.492	0.749	0.003	0.154	0.173	0.71	0.5
Compound_682	CCCNC(=CC(=S)Nc1cccc2c1cccc2)c1ccc(cc1)OC	0.414	0.54	0.274	0.388	0.228	0.965	0.138	0.426	0.61	0.968	0.752
Compound_683	CN(C=C1Cc2c(C1=O)cccc2)C	0.505	0.495	0.268	0.251	0.02	0.256	0.006	0.506	0.684	0.701	0.785
Compound_684	O=C(CN1c2ccccc2Sc2c1cccc2)NN=Cc1ccco1	0.248	0.575	0.872	0.431	0.702	0.626	0.173	0.601	0.392	0.011	0.228
Compound_685	Clc1ccc(cc1)OC(=O)c1sc2n(c1C)nc(n2)c1ccc(cc1)Cl	0.474	0.703	0.958	0.749	0.523	0.733	0.955	0.903	0.599	0.611	0.581
Compound_686	Fc1ccc(cc1)C(=O)NNC1=Nc2c(SC1)cccc2	0.461	0.682	0.86	0.467	0.734	0.676	0.86	0.451	0.517	0.018	0.327
Compound_687	CCOC(Cc1nnc(n1C)SCC(=O)c1ccc(cc1Cl)Cl)OCC	0.597	0.719	0.395	0.651	0.451	0.77	0.956	0.805	0.646	0.746	0.717
Compound_688	O=C1C2CCN(C1=Cc1cscc1)CC2	0.439	0.567	0.222	0.277	0.206	0.559	0.037	0.12	0.517	0.455	0.23
Compound_689	Clc1ccc(c(c1)Cl)C=NNC(=O)C(=Cc1cccs1)NC(=O)c1ccccc1	0.685	0.601	0.931	0.44	0.695	0.762	0.724	0.789	0.408	0.789	0.586
Compound_690	NNC(=O)c1noc(c1c1csc(n1)COc1ccc(cc1)Cl)C	0.387	0.576	0.99	0.569	0.607	0.685	0.791	0.905	0.577	0.032	0.402
Compound_691	COc1ccc(cc1)C=C1NC(=O)CN(C1=O)C(=O)C	0.305	0.577	0.087	0.474	0.079	0.521	0.004	0.167	0.413	0.208	0.305
Compound_692	COc1ccc(cc1OC)CCn1c(=O)c2cccc3c2c(c1=O)cc(c3)N(=O)=O	0.695	0.805	0.88	0.683	0.746	0.879	0.829	0.948	0.425	0.04	0.5
Compound_693	N#CC(=Cc1ccc(cc1)NC(=O)C)C(=O)N	0.701	0.458	0.143	0.459	0.481	0.25	0.807	0.225	0.511	0.686	0.893
Compound_694	O=C(Nc1cccc(c1)Cl)NNC(=O)c1noc(c1c1csc(n1)c1csc(n1)C)C	0.533	0.558	1.0	0.731	0.698	0.652	0.921	0.613	0.476	0.321	0.425
Compound_695	O=C(NN1CC(=O)N(CC1=O)c1cccc(c1)Cl)CSc1nnc(n1C)c1ccncc1	0.373	0.591	0.887	0.601	0.432	0.709	0.857	0.717	0.411	0.177	0.271
Compound_696	O=C(c1ccc(cc1)OC(F)(F)F)NNC(=O)c1ccc(cc1)Cl	0.533	0.69	0.805	0.592	0.611	0.927	0.693	0.582	0.46	0.595	0.431
Compound_697	CCn1nc(cc1c1nnc(o1)c1ccc(cc1)C)C	0.317	0.536	0.857	0.732	0.562	0.614	0.136	0.907	0.566	0.314	0.394
Compound_698	N=C(Cc1ccc(cc1)N(=O)=O)NOC(=O)c1ccc(cc1)C(C)(C)C	0.406	0.735	0.926	0.524	0.638	0.813	0.931	0.83	0.624	0.48	0.706
Compound_699	COc1cc(C=NNC(=S)Nc2cc(Cl)ccc2Cl)ccc1OS(=O)(=O)c1ccc(cc1)C	0.693	0.438	0.955	0.526	0.711	0.661	0.509	0.186	0.415	0.912	0.374
Compound_700	Cc1ccc(o1)C=c1sc2n(c1=O)nc(c(=O)n2)C	0.443	0.497	0.054	0.411	0.095	0.59	0.116	0.155	0.412	0.009	0.225
Compound_701	CCNC(=O)NNc1c(Cl)cccc1Cl	0.517	0.448	0.961	0.42	0.206	0.369	0.02	0.564	0.444	0.33	0.293
Compound_702	CSc1nc2ccccc2c(=O)n1c1cc(OC)c(cc1OC)Cl	0.475	0.708	0.88	0.614	0.657	0.646	0.909	0.118	0.45	0.643	0.388
Compound_703	Clc1ccc(cc1)CSCCNC(=O)c1ccco1	0.1	0.382	0.071	0.306	0.092	0.608	0.137	0.147	0.316	0.089	0.124
Compound_704	CCCCc1ccc(cc1)/N=N/c1c(O)ccc2c1cccc2	0.809	0.781	0.643	0.694	0.968	0.875	0.987	0.963	0.715	0.991	0.869
Compound_705	CC(N1CC(OC1=O)COc1ccc(cc1)Br)C	0.113	0.429	0.53	0.578	0.59	0.607	0.242	0.827	0.36	0.348	0.187
Compound_706	Cc1ccc2c(c1)c(=O)n(c(=S)[nH]2)c1cccnc1	0.408	0.603	0.831	0.473	0.052	0.35	0.147	0.198	0.879	0.207	0.586
Compound_707	O=N(=O)c1cc(ccc1N)c1ccc(c(c1)N(=O)=O)N	0.996	0.615	0.991	0.803	0.775	0.121	0.98	0.994	0.78	0.991	0.938
Compound_708	N#CC(=Cc1cccn1c1ccc(cc1)C(F)(F)F)C(=O)OC	0.75	0.684	0.082	0.641	0.707	0.559	0.969	0.985	0.609	0.048	0.947
Compound_709	NNC(=O)Cc1ccccc1	0.05	0.255	0.874	0.33	0.032	0.599	0.897	0.107	0.511	0.011	0.181
Compound_710	O/N=C/c1c(CO)cnc(c1O)C	0.153	0.328	0.099	0.268	0.044	0.315	0.004	0.012	0.435	0.002	0.616
Compound_711	O=C(CC12CC3CC(C2)CC(C1)C3)NCc1cccc(c1)Cl	0.308	0.408	0.492	0.364	0.288	0.815	0.917	0.362	0.257	0.348	0.581
Compound_712	N#CC(=Cc1cc(C(=O)OC)c(cc1OC)OC)C#N	0.662	0.564	0.887	0.619	0.632	0.317	0.147	0.393	0.688	0.573	0.825
Compound_713	CC(=O)Nc1ccc(cc1)c1ccccc1	0.815	0.783	0.846	0.705	0.229	0.897	0.99	0.898	0.867	0.934	0.776
Compound_714	COc1cc2OC(C)(C)C=Cc2c2c1C(=O)CC(O2)c1ccccc1	0.751	0.726	0.161	0.612	0.918	0.927	0.976	0.716	0.574	0.692	0.967
Compound_715	Fc1ccccc1CN1CCN(CC1)c1cccc2c1cc[nH]2	0.127	0.687	0.951	0.352	0.718	0.704	0.221	0.358	0.547	0.112	0.128
Compound_716	N#CC1=C(N)OC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C	0.658	0.771	0.216	0.437	0.916	0.821	0.876	0.722	0.45	0.136	0.294
Compound_717	Cn1c(=NN=c2oc3c(n2C)cccc3)oc2c1cccc2	0.541	0.656	0.754	0.525	0.198	0.676	0.144	0.605	0.669	0.546	0.249
Compound_718	N#Cc1c(NC(=O)C)sc2c1CCc1c2cccc1	0.631	0.704	0.782	0.647	0.391	0.529	0.955	0.94	0.788	0.974	0.458
Compound_719	CN(CCNc1ccc(c2c1nccc2)N(=O)=O)C	0.248	0.6	0.378	0.232	0.339	0.31	0.001	0.456	0.536	0.058	0.648
Compound_720	COc1cc(Nc2ncnc(n2)N)cc(c1OC)OC	0.686	0.502	0.98	0.6	0.269	0.374	0.065	0.729	0.834	0.026	0.869
Compound_721	Nc1n[nH]c(c1c1ccccc1)c1ccccc1	0.183	0.757	0.903	0.719	0.637	0.721	0.946	0.062	0.836	0.139	0.59
Compound_722	Clc1ccc(cc1)CSc1ccc(cc1C(F)(F)F)N(=O)=O	0.834	0.506	0.829	0.818	0.886	0.63	0.997	0.96	0.367	0.995	0.945
Compound_723	CCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)NNS(=O)(=O)c1cccc(c1)C(F)(F)F)C	0.397	0.575	0.185	0.508	0.507	0.714	0.942	0.652	0.392	0.419	0.49
Compound_724	Clc1ccc(cc1)S(=O)(=O)CCSCC(=O)N1CCCC1	0.155	0.402	0.825	0.613	0.44	0.822	0.395	0.353	0.383	0.534	0.208
Compound_725	CCOC(=O)NS(=O)(=O)c1ccccc1Cl	0.213	0.383	0.352	0.21	0.363	0.573	0.06	0.24	0.251	0.828	0.342
Compound_726	O=C(Cn1nnc(n1)c1cccc(c1Cl)Cl)NNS(=O)(=O)C	0.313	0.438	0.985	0.599	0.329	0.667	0.119	0.676	0.425	0.416	0.523
Compound_727	CC(=NOC(=O)c1scc(c1Cl)S(=O)(=O)C)C	0.356	0.5	0.515	0.542	0.295	0.69	0.966	0.457	0.483	0.927	0.5
Compound_728	N#CC(=NNc1cccc(c1)c1ccnc(n1)C)C(=O)c1ccc(cc1)Cl	0.485	0.674	0.753	0.701	0.645	0.732	0.794	0.867	0.424	0.009	0.581
Compound_729	S=C(N(C)C)Nc1cccc(c1)C(F)(F)F	0.872	0.386	0.296	0.524	0.145	0.452	0.878	0.952	0.683	0.883	0.569
Compound_730	COC(=C(C#N)C#N)c1c(C)onc1c1c(Cl)cccc1Cl	0.599	0.787	0.724	0.682	0.923	0.548	0.659	0.906	0.56	0.663	0.958
Compound_731	O=C(Nc1ccc(cc1)C)Nc1ccc(cc1)C	0.763	0.742	0.968	0.612	0.619	0.975	0.954	0.181	0.873	0.562	0.495
Compound_732	COCCCNC(=S)NN=Cc1ccc(s1)c1ccc(cc1)OC	0.481	0.623	0.976	0.566	0.293	0.63	0.133	0.856	0.498	0.433	0.229
Compound_733	NC(=O)CC(c1c(Cl)cccc1Cl)CC(=O)N	0.22	0.391	0.134	0.346	0.211	0.281	0.94	0.014	0.307	0.164	0.248
Compound_734	CCCS(=O)(=O)c1cscc1NC(=O)c1c(C)onc1c1c(F)cccc1Cl	0.593	0.486	0.907	0.725	0.708	0.723	0.938	0.675	0.556	0.743	0.333
Compound_735	O=C1N(c2ccc(cc2)OC(F)(F)F)C(=O)C2C1C(=C1C(=O)c3c(C1=O)cccc3)NC2c1ccccn1	0.721	0.637	0.259	0.528	0.802	0.693	0.98	0.569	0.544	0.086	0.941
Compound_736	OC(=O)C=Cc1ccc(cc1)OC(F)(F)F	0.835	0.279	0.51	0.468	0.784	0.703	0.872	0.547	0.541	0.502	0.568
Compound_737	CCOC(=O)c1ccc(cc1)n1c(=S)[nH]c2c1cccc2	0.669	0.705	0.782	0.493	0.145	0.939	0.971	0.035	0.678	0.944	0.761
Compound_738	O=C(c1c(C)noc1C)N=C(C12CC3CC(C2)CC(C1)C3)N	0.353	0.645	0.252	0.477	0.762	0.799	0.254	0.707	0.215	0.023	0.332
Compound_739	CC(=O)Cc1nsc(n1)Nc1ccccc1	0.754	0.617	0.916	0.522	0.139	0.748	0.316	0.698	0.685	0.136	0.208
Compound_740	Cc1c(C)c(C)c(c2c1nc([nH]2)c1ccc2c(c1)OCO2)C	0.382	0.608	0.978	0.555	0.648	0.696	0.974	0.807	0.497	0.72	0.888
Compound_741	CSc1nnc(n1C)c1csc(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F	0.663	0.408	0.767	0.641	0.554	0.668	0.293	0.97	0.358	0.249	0.512
Compound_742	COc1ccc(cc1)C(=O)C(N1CCCC1)C	0.076	0.421	0.179	0.211	0.062	0.748	0.01	0.052	0.355	0.013	0.075
Compound_743	COc1ccccc1CNCCn1c(=O)[nH]c2c(c1=O)cccc2	0.315	0.576	0.85	0.268	0.171	0.684	0.099	0.005	0.331	0.001	0.053
Compound_744	CCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2c1cc(OC)cc2	0.496	0.712	0.904	0.535	0.573	0.776	0.814	0.579	0.419	0.193	0.16
Compound_745	O=C(Nc1ccc(cc1)OC(F)(F)F)ON=C(c1cnccn1)N	0.422	0.734	0.926	0.656	0.667	0.676	0.135	0.523	0.467	0.001	0.666
Compound_746	NNC(=O)CNS(=O)(=O)c1cccc2c1nsn2	0.296	0.281	0.311	0.256	0.515	0.613	0.008	0.083	0.321	0.001	0.347
Compound_747	FCCCCCn1cc(c2c1cccc2)C(=O)OC	0.575	0.684	0.464	0.592	0.176	0.193	0.154	0.557	0.858	0.224	0.582
Compound_748	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccc(cc1)OC	0.43	0.745	0.571	0.607	0.558	0.812	0.776	0.401	0.717	0.136	0.754
Compound_749	CCCCCCn1cc(cc1c1ccccc1)C(=O)c1cccc2c1cccc2	0.803	0.559	0.626	0.736	0.5	0.66	0.987	0.973	0.831	0.906	0.644
Compound_750	CCCCCn1cc(cc1c1cccc2c1cccc2)C(=O)c1cccc2c1cccc2	0.774	0.555	0.626	0.744	0.634	0.628	0.991	0.973	0.805	0.27	0.586
Compound_751	FCCCCCn1nc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.497	0.618	0.028	0.449	0.554	0.579	0.492	0.926	0.614	0.775	0.593
Compound_752	O=C(C1COc2c(O1)cccc2)Nc1n[nH]c(c1)c1ccccc1	0.279	0.761	0.576	0.451	0.641	0.673	0.538	0.456	0.376	0.053	0.838
Compound_753	Brc1ccc2c(c1)C(=NCc1n2c(C)nn1)c1ccccn1	0.592	0.773	0.273	0.633	0.669	0.652	0.793	0.268	0.624	0.005	0.262
Compound_754	Fc1ccc(cc1)CN1CCNCC1	0.028	0.327	0.032	0.17	0.003	0.06	0.0	0.089	0.479	0.005	0.007
Compound_755	CC(Cc1ccc2c(c1)OCC2)N	0.095	0.309	0.654	0.472	0.012	0.162	0.011	0.151	0.589	0.092	0.271
Compound_756	NC(=NOC(=O)c1cccc(c1)C(F)(F)F)c1ccc2c(c1)C=CC(O2)(C)C	0.685	0.608	0.52	0.6	0.755	0.961	0.675	0.63	0.651	0.091	0.54
Compound_757	FCCCCCn1nc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.553	0.708	0.14	0.579	0.656	0.513	0.609	0.992	0.542	0.771	0.485
Compound_758	CCCCCn1cc(c2c1cccc2)C(=O)N1CCN(CC1)C	0.367	0.754	0.305	0.326	0.049	0.165	0.088	0.073	0.503	0.228	0.24
Compound_759	CCCCCn1cc(c2c1cccc2)Cc1cccc2c1cccc2	0.722	0.557	0.539	0.549	0.652	0.78	0.992	0.962	0.729	0.94	0.463
Compound_760	CCNC(C(=O)c1cccc(c1C)C)C	0.063	0.169	0.073	0.183	0.004	0.029	0.0	0.004	0.27	0.545	0.145
Compound_761	CCNC(C(=O)c1ccc(cc1)F)C	0.062	0.178	0.094	0.291	0.009	0.057	0.003	0.067	0.278	0.451	0.052
Compound_762	FCCCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)OC)C(C)C	0.563	0.712	0.208	0.521	0.523	0.444	0.656	0.988	0.395	0.796	0.337
Compound_763	c1ccc(cc1)CC(c1ccccc1)N1CCCCC1	0.052	0.359	0.052	0.167	0.075	0.883	0.002	0.113	0.422	0.367	0.047
Compound_764	NCCc1c2OCCc2c(c2c1CCO2)Br	0.397	0.335	0.604	0.524	0.675	0.649	0.013	0.087	0.416	0.19	0.384
Compound_765	CN(C(C)C)CCc1c[nH]c2c1c(O)ccc2	0.144	0.536	0.656	0.26	0.538	0.647	0.007	0.102	0.179	0.187	0.344
Compound_766	CCN(C(C(=O)c1ccccc1)C)C	0.093	0.306	0.07	0.034	0.009	0.109	0.002	0.022	0.21	0.175	0.049
Compound_767	COc1ccccc1C(N1CCCCC1)Cc1ccccc1	0.028	0.456	0.104	0.204	0.065	0.731	0.001	0.019	0.317	0.023	0.116
Compound_768	O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CCN1CCOCC1	0.505	0.629	0.491	0.283	0.262	0.245	0.045	0.19	0.32	0.866	0.479
Compound_769	Clc1ccc2c(c1)C(=NC(c1n2c(C)nn1)O)c1ccccc1	0.69	0.699	0.231	0.528	0.514	0.839	0.591	0.148	0.914	0.6	0.439
Compound_770	O=C(c1nn(c2c1cccc2)c1ccccc1F)Oc1ccc2c(c1)cccc2	0.695	0.65	0.826	0.6	0.97	0.747	0.986	0.577	0.665	0.587	0.859
Compound_771	CCCC(C(=O)c1ccc2c(c1)OCO2)NCC	0.108	0.435	0.615	0.201	0.024	0.418	0.003	0.342	0.347	0.188	0.2
Compound_772	COc1ccc(cc1)C(=O)C(N(C)C)C	0.126	0.301	0.152	0.32	0.059	0.78	0.003	0.05	0.357	0.049	0.102
Compound_773	CCCCCn1nc(c2c1cccc2)C(=O)NC(C(=O)OC)C(C)C	0.536	0.729	0.208	0.504	0.464	0.433	0.628	0.88	0.41	0.356	0.245
Compound_774	CCCCCn1cc(c2c1cccc2)C(=O)Nc1ccccc1	0.626	0.661	0.773	0.701	0.167	0.391	0.945	0.927	0.791	0.587	0.455
Compound_775	CCC(C(=O)c1ccc(cc1)C)N(C)C	0.065	0.298	0.068	0.232	0.01	0.153	0.001	0.236	0.196	0.107	0.11
Compound_776	FCCCCCn1c2ccccc2c(c1C)C(=O)C1C(C1(C)C)(C)C	0.417	0.702	0.242	0.58	0.584	0.38	0.722	0.927	0.339	0.703	0.662
Compound_777	FCCCCCn1cc(c2c1cccc2)C(=N[C@H](C(=N)O)Cc1ccccc1)O	0.53	0.563	0.527	0.424	0.567	0.734	0.763	0.188	0.396	0.823	0.298
Compound_778	CCCCCn1cc(C(=O)NC23CC4CC(C3)CC(C2)C4)c(=O)c2c1ccc(c2)C(C)C	0.645	0.714	0.266	0.543	0.381	0.815	0.275	0.9	0.407	0.671	0.27
Compound_779	FCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CC	0.786	0.522	0.382	0.633	0.604	0.641	0.997	0.947	0.761	0.944	0.71
Compound_780	CNC(C(=O)c1ccc2c(c1)OCCO2)C	0.032	0.556	0.58	0.388	0.026	0.233	0.005	0.218	0.257	0.152	0.487
Compound_781	CCCCCn1cc(c2c1cccc2)C(=O)CC(C(=C)C)(C)C	0.528	0.574	0.515	0.511	0.153	0.209	0.602	0.976	0.829	0.738	0.682
Compound_782	CCCCCn1nc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.584	0.673	0.309	0.613	0.819	0.666	0.992	0.924	0.765	0.211	0.585
Compound_783	FCCCCCn1nc(c2c1cccc2)C(=O)N[C@@H](C(=O)N)Cc1ccccc1	0.505	0.575	0.033	0.436	0.738	0.683	0.881	0.819	0.708	0.698	0.587
Compound_784	CCCC(C(=O)c1ccc(cc1)F)N1CCCC1	0.183	0.468	0.192	0.13	0.021	0.077	0.012	0.205	0.381	0.855	0.08
Compound_785	CCC(C(=O)c1cccc(c1)C)NC	0.083	0.166	0.5	0.295	0.005	0.067	0.001	0.147	0.531	0.375	0.059
Compound_786	CCCCCOc1ccc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.667	0.732	0.776	0.735	0.958	0.984	0.849	0.983	0.539	0.988	0.963
Compound_787	CCC(CCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)Cl	0.6	0.695	0.31	0.551	0.584	0.396	0.877	0.781	0.425	0.756	0.848
Compound_788	O=C1CN=C(c2c(N1)ccc(c2)Br)c1ccccc1F	0.827	0.729	0.985	0.71	0.647	0.651	0.63	0.825	0.511	0.32	0.534
Compound_789	CCCCCCC(c1cc(OCCCCCCCC(=O)NC2CC2)cc(c1)O)(C)C	0.225	0.607	0.261	0.458	0.311	0.387	0.226	0.566	0.485	0.125	0.331
Compound_790	CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CCC	0.732	0.584	0.38	0.6	0.551	0.681	0.997	0.929	0.789	0.362	0.528
Compound_791	CNC(Cc1cc(OC)ccc1OC)C	0.065	0.138	0.542	0.422	0.019	0.034	0.001	0.072	0.248	0.108	0.126
Compound_792	CCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC	0.771	0.779	0.599	0.678	0.602	0.827	0.724	0.159	0.924	0.065	0.664
Compound_793	CCCCCCn1ccc(c1)C(=O)c1cccc2c1cccc2	0.855	0.568	0.306	0.536	0.126	0.463	0.151	0.694	0.826	0.966	0.495
Compound_794	O=C(N1CCN(CC1)Cc1cccc(c1)Oc1ccccc1)Oc1ccc(cc1)N(=O)=O	0.319	0.61	0.407	0.411	0.932	0.93	0.292	0.813	0.292	0.848	0.373
Compound_795	FCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)Cl	0.804	0.509	0.857	0.65	0.831	0.499	0.996	0.838	0.669	0.97	0.763
Compound_796	CCCCCn1cc(cc1c1ccccc1C)C(=O)c1cccc2c1cccc2	0.731	0.576	0.626	0.735	0.5	0.66	0.987	0.987	0.714	0.207	0.547
Compound_797	CCCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.832	0.57	0.394	0.629	0.538	0.567	0.996	0.97	0.827	0.964	0.623
Compound_798	CC(=O)Cc1ccc2c(c1)OCO2	0.52	0.25	0.979	0.572	0.131	0.563	0.974	0.795	0.313	0.944	0.608
Compound_799	CCCOc1c(OC)cc(cc1OC)CC(N)C	0.124	0.234	0.583	0.473	0.057	0.162	0.01	0.15	0.71	0.019	0.172
Compound_800	COc1cc(I)c(cc1CCNCc1ccccc1O)OC	0.103	0.51	0.338	0.392	0.406	0.53	0.052	0.087	0.262	0.004	0.227
Compound_801	NCCc1cc(OC)c(cc1OC)SC	0.661	0.335	0.406	0.573	0.382	0.553	0.004	0.019	0.244	0.008	0.176
Compound_802	CNC(C(=O)c1cccc(c1)C)C	0.067	0.123	0.482	0.306	0.003	0.06	0.002	0.136	0.478	0.556	0.156
Compound_803	CCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.652	0.681	0.617	0.591	0.678	0.685	0.995	0.95	0.784	0.249	0.379
Compound_804	CCNC(C(=O)c1cccc(c1)F)C	0.06	0.178	0.132	0.293	0.009	0.057	0.003	0.093	0.215	0.451	0.052
Compound_805	FCCCCCn1cc(c2c1cccc2)C(=O)NC(C(C)(C)C)C(=O)N	0.44	0.566	0.096	0.378	0.142	0.17	0.172	0.515	0.483	0.672	0.649
Compound_806	CNC(C(=O)c1cccc(c1)Br)C	0.153	0.168	0.498	0.376	0.527	0.273	0.002	0.082	0.372	0.553	0.134
Compound_807	CCNC(C(=O)c1ccc(cc1C)C)C	0.032	0.169	0.106	0.215	0.004	0.045	0.0	0.004	0.299	0.545	0.145
Compound_808	CNC(Cc1ccccc1F)C	0.057	0.162	0.492	0.299	0.008	0.053	0.003	0.049	0.474	0.254	0.019
Compound_809	O=C(c1cn(c2c1cccc2)CC1CCCCC1)Oc1cccc2c1nccc2	0.752	0.627	0.864	0.513	0.609	0.561	0.996	0.304	0.12	0.978	0.486
Compound_810	FCCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.68	0.659	0.828	0.625	0.398	0.514	0.996	0.944	0.799	0.981	0.585
Compound_811	COc1ccc2c(c1)c(CCN(C(C)C)C)c[nH]2	0.102	0.606	0.445	0.222	0.315	0.674	0.004	0.016	0.331	0.125	0.333
Compound_812	CC(C(=O)c1ccccc1C)N1CCCC1	0.079	0.404	0.131	0.113	0.01	0.042	0.009	0.014	0.235	0.027	0.085
Compound_813	NC(=O)C(C(C)(C)C)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F	0.584	0.655	0.296	0.43	0.758	0.678	0.937	0.351	0.597	0.189	0.668
Compound_814	COC(=O)C1CC(OC(=O)C)C(=O)C2C1(C)CCC1C2(C)CC(OC1=O)c1cocc1	0.726	0.821	0.176	0.507	0.029	0.206	0.991	0.128	0.505	0.222	0.982
Compound_815	CCCC(C(=O)c1ccc2c(c1)cccc2)NC	0.088	0.562	0.435	0.41	0.026	0.327	0.557	0.663	0.58	0.163	0.162
Compound_816	FCCCCCn1cc(c2c1cccc2)C(=O)c1cccnc1	0.769	0.643	0.522	0.65	0.197	0.347	0.359	0.702	0.113	0.633	0.612
Compound_817	N#CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.804	0.497	0.546	0.647	0.734	0.551	0.995	0.969	0.631	0.558	0.89
Compound_818	CCN(CCc1c[nH]c2c1c(O)ccc2)CC	0.147	0.512	0.768	0.333	0.544	0.645	0.003	0.321	0.283	0.494	0.646
Compound_819	NCCc1cc(OC)c(c(c1OC)C)C	0.167	0.183	0.305	0.57	0.024	0.066	0.002	0.018	0.449	0.003	0.057
Compound_820	O=C(c1ccc(c2c1cccc2)C)c1cn(c2c1cccc2)CCN1CCOCC1	0.764	0.688	0.733	0.439	0.524	0.438	0.993	0.378	0.44	0.344	0.422
Compound_821	CC(Cc1cccc2c1OCO2)N	0.2	0.344	0.839	0.397	0.007	0.204	0.019	0.063	0.511	0.768	0.351
Compound_822	CC(Cc1c2OCCc2c(c2c1CCO2)Br)N	0.449	0.347	0.76	0.51	0.674	0.65	0.009	0.285	0.453	0.701	0.476
Compound_823	C=CCc1ccc2c(c1)OCO2	0.801	0.177	0.992	0.642	0.195	0.592	0.987	0.987	0.158	0.99	0.734
Compound_824	CC(CCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)Cl	0.585	0.61	0.293	0.538	0.58	0.416	0.877	0.814	0.423	0.131	0.779
Compound_825	COc1ccc2c(c1)c(c[nH]2)CC(N)C	0.133	0.576	0.94	0.527	0.349	0.676	0.004	0.18	0.669	0.272	0.506
Compound_826	CNC1(CCCCC1=O)c1ccccc1OC	0.132	0.47	0.28	0.462	0.021	0.319	0.092	0.027	0.082	0.003	0.444
Compound_827	CCCCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)CC	0.662	0.596	0.547	0.653	0.827	0.835	0.997	0.875	0.491	0.57	0.445
Compound_828	C=CCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.702	0.532	0.335	0.629	0.551	0.681	0.997	0.981	0.557	0.311	0.455
Compound_829	CNC(Cc1ccc(c(c1)O)O)C	0.103	0.176	0.214	0.304	0.068	0.034	0.001	0.272	0.085	0.12	0.025
Compound_830	CCCCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)OC	0.737	0.758	0.787	0.661	0.902	0.963	0.992	0.479	0.488	0.365	0.77
Compound_831	CCCCn1c(C)c(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.712	0.567	0.559	0.624	0.825	0.762	0.996	0.755	0.496	0.125	0.636
Compound_832	NC1Cc2c(C1)cc(cc2)I	0.101	0.388	0.626	0.473	0.231	0.427	0.002	0.036	0.492	0.855	0.327
Compound_833	O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CC1CCOCC1	0.61	0.624	0.215	0.429	0.329	0.407	0.103	0.09	0.42	0.983	0.549
Compound_834	CCNC(C(=O)c1cccc(c1)CC)C	0.072	0.137	0.072	0.277	0.004	0.06	0.001	0.126	0.224	0.693	0.09
Compound_835	CCc1ccc(cc1)C(=O)C(N(C)C)C	0.092	0.241	0.099	0.218	0.01	0.153	0.001	0.598	0.195	0.235	0.151
Compound_836	CCNC(C(=O)c1ccccc1F)C	0.104	0.228	0.11	0.295	0.009	0.057	0.003	0.15	0.301	0.56	0.089
Compound_837	CC(N(C(C)C)CCc1c[nH]c2c1c(O)ccc2)C	0.144	0.502	0.802	0.322	0.58	0.654	0.028	0.177	0.271	0.209	0.385
Compound_838	CC1(CCCCCCC1)N1CCC(CC1)n1c(nc2c1cccc2)C1CCCNC1	0.256	0.598	0.017	0.276	0.319	0.866	0.508	0.565	0.407	0.006	0.469
Compound_839	FCCCCCn1nc(c2c1cccc2)C(=O)NC12CC3CC(C2)CC(C1)C3	0.623	0.678	0.353	0.563	0.667	0.684	0.932	0.993	0.392	0.18	0.386
Compound_840	CCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.766	0.622	0.93	0.618	0.538	0.567	0.996	0.866	0.786	0.707	0.835
Compound_841	CCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.634	0.661	0.661	0.645	0.294	0.51	0.997	0.921	0.821	0.587	0.455
Compound_842	C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1	0.027	0.597	0.076	0.165	0.105	0.901	0.013	0.438	0.43	0.029	0.158
Compound_843	CC(Cc1ccc2c(c1)[nH]cc2)N	0.102	0.473	0.515	0.407	0.21	0.646	0.054	0.191	0.711	0.098	0.318
Compound_844	CCCCCn1c(C)c(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.669	0.596	0.449	0.652	0.827	0.835	0.997	0.885	0.491	0.57	0.445
Compound_845	COc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CCN1CCOCC1	0.802	0.706	0.862	0.391	0.664	0.738	0.979	0.048	0.45	0.121	0.69
Compound_846	CN(CCc1c[nH]c2c1c(ccc2)OC(=O)C)C	0.124	0.646	0.071	0.165	0.583	0.647	0.019	0.03	0.412	0.046	0.184
Compound_847	CCCCCn1cc(c2c1cccc2)C(=O)NCc1ccccc1	0.483	0.593	0.174	0.508	0.178	0.379	0.747	0.805	0.805	0.453	0.366
Compound_848	COc1cc(I)c(cc1CCNCc1ccccc1F)OC	0.124	0.419	0.445	0.439	0.312	0.563	0.018	0.102	0.334	0.008	0.374
Compound_849	CNC(Cc1ccc2c(c1)OCCO2)C	0.025	0.509	0.607	0.341	0.018	0.191	0.001	0.146	0.131	0.514	0.202
Compound_850	CCCCn1cc(c2c1cc(OC)cc2)C(=O)c1cccc2c1cccc2	0.631	0.779	0.632	0.699	0.831	0.808	0.993	0.487	0.816	0.065	0.664
Compound_851	CCC(C(=O)c1ccc(cc1)F)NC	0.067	0.251	0.64	0.372	0.01	0.061	0.003	0.076	0.316	0.225	0.037
Compound_852	CCC(Cc1c[nH]c2c1cc(OC)cc2)N	0.173	0.607	0.975	0.52	0.349	0.676	0.004	0.252	0.664	0.362	0.748
Compound_853	COc1cccc2c1n(CC1CCCCC1)cc2C(=O)N1CCN(C(C1)C)C	0.448	0.827	0.325	0.229	0.108	0.544	0.24	0.028	0.457	0.543	0.263
Compound_854	CCCC(C(=O)c1cccs1)N1CCCC1	0.313	0.49	0.021	0.15	0.235	0.587	0.416	0.502	0.408	0.902	0.308
Compound_855	CCCNC(Cc1ccccc1)C	0.014	0.188	0.061	0.174	0.005	0.081	0.001	0.013	0.383	0.878	0.067
Compound_856	CCCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.619	0.712	0.22	0.521	0.255	0.395	0.643	0.594	0.563	0.941	0.552
Compound_857	CCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1c(Br)ccc2	0.77	0.569	0.811	0.592	0.623	0.72	0.995	0.922	0.793	0.806	0.583
Compound_858	COc1cccc2c1n(CCN1CCOCC1)cc2C(=O)NC1C2(C)CCC(C1(C)C)C2	0.484	0.796	0.581	0.339	0.451	0.615	0.155	0.277	0.299	0.707	0.513
Compound_859	COc1cc(CCN(C(=O)C)C)c2c(c1)c1c(cc2)ccc(c1OC(=O)C)OC	0.045	0.832	0.647	0.671	0.349	0.694	0.305	0.916	0.511	0.004	0.055
Compound_860	CC(Cc1cccc2c1occ2)N	0.093	0.473	0.498	0.427	0.004	0.578	0.064	0.271	0.436	0.223	0.238
Compound_861	CCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.731	0.612	0.295	0.628	0.551	0.681	0.997	0.978	0.795	0.147	0.517
Compound_862	COc1cc(Br)c(cc1CCNCc1ccccc1F)OC	0.259	0.429	0.445	0.439	0.141	0.638	0.03	0.102	0.422	0.025	0.256
Compound_863	Fc1cccc(c1)C(=O)C(N1CCCC1)C	0.115	0.388	0.393	0.04	0.02	0.092	0.024	0.069	0.255	0.065	0.075
Compound_864	CNC(Cc1cc(OC)c(cc1OC)Br)C	0.221	0.169	0.648	0.469	0.101	0.634	0.002	0.096	0.384	0.359	0.297
Compound_865	COc1cc(Br)c(cc1CN1CCNCC1)OC	0.035	0.362	0.046	0.277	0.13	0.635	0.001	0.077	0.378	0.004	0.104
Compound_866	COc1cc(I)c(cc1CCNCc1ccccc1OC)OC	0.085	0.474	0.37	0.398	0.257	0.551	0.045	0.092	0.275	0.007	0.378
Compound_867	COc1cc(Cl)c(cc1CCNCc1ccccc1O)OC	0.153	0.53	0.338	0.392	0.531	0.509	0.046	0.087	0.301	0.007	0.188
Compound_868	Cc1ccc(cc1)C(=O)C(N)C	0.13	0.095	0.545	0.426	0.004	0.219	0.005	0.084	0.215	0.242	0.121
Compound_869	FCCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.683	0.632	0.82	0.63	0.741	0.693	0.993	0.997	0.768	0.792	0.379
Compound_870	ClCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.821	0.514	0.616	0.629	0.837	0.66	0.999	0.836	0.351	0.963	0.914
Compound_871	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1C	0.37	0.523	0.598	0.554	0.305	0.334	0.648	0.919	0.705	0.229	0.631
Compound_872	CCCCCn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3	0.633	0.654	0.412	0.511	0.556	0.476	0.88	0.832	0.23	0.675	0.843
Compound_873	CCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1nccc2	0.551	0.688	0.804	0.596	0.11	0.485	0.993	0.878	0.565	0.171	0.405
Compound_874	COc1ccc2c(c1)c(CCN(CC=C)CC=C)c[nH]2	0.139	0.598	0.81	0.356	0.361	0.678	0.011	0.409	0.146	0.637	0.283
Compound_875	CNC1Cc2c(C1)cccc2	0.023	0.401	0.735	0.265	0.081	0.198	0.001	0.044	0.565	0.637	0.207
Compound_876	CCN(CC(COC(=O)c1ccc(cc1)N(=O)=O)(C)C)CC	0.164	0.443	0.142	0.33	0.129	0.369	0.151	0.045	0.452	0.458	0.759
Compound_877	ClCCCCCn1cc(c2c1cccc2)C(=O)Nc1cccc2c1cccc2	0.667	0.644	0.828	0.625	0.657	0.611	0.999	0.944	0.346	0.985	0.828
Compound_878	O=C(C1C(C1(C)C)(C)C)c1cn(c2c1cccc2)CCCC(F)(F)F	0.57	0.603	0.22	0.557	0.5	0.3	0.972	0.741	0.428	0.061	0.572
Compound_879	Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2	0.76	0.626	0.971	0.564	0.648	0.537	0.997	0.711	0.158	0.699	0.764
Compound_880	CCCCCc1cc(OC)c2c(c1)oc(=O)c(c2)Cc1ccccc1OC	0.685	0.794	0.822	0.606	0.894	0.736	0.987	0.869	0.949	0.895	0.859
Compound_881	CCCCCn1cc(cc1c1cccc(c1)F)C(=O)c1cccc2c1cccc2	0.83	0.548	0.949	0.766	0.592	0.577	0.987	0.92	0.806	0.318	0.508
Compound_882	CCCCCn1nc(c2c1cccc2)C(=O)Oc1cccc2c1nccc2	0.627	0.648	0.667	0.527	0.616	0.574	0.994	0.587	0.2	0.107	0.482
Compound_883	BrCCCCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.797	0.521	0.616	0.629	0.61	0.653	0.995	0.836	0.696	0.957	0.689
Compound_884	CCC(C(=O)c1ccc(cc1)F)N1CCCC1	0.145	0.427	0.277	0.131	0.02	0.092	0.024	0.214	0.289	0.816	0.087
Compound_885	FCCCCCn1cc(c2c1cccc2)C(=O)NCc1ccccc1	0.545	0.598	0.342	0.46	0.27	0.402	0.682	0.805	0.742	0.128	0.45
Compound_886	CCC(CCn1ccc2c1cccc2)F	0.799	0.651	0.73	0.626	0.195	0.474	0.606	0.83	0.81	0.557	0.549
Compound_887	COc1ccc2c(c1)CN(CC2c1ccc(c(c1)Cl)Cl)C	0.184	0.584	0.852	0.155	0.332	0.83	0.017	0.227	0.523	0.786	0.705
Compound_888	O=C(c1cccc2c1cccc2)c1cn(c2c1cccc2)CCCC1CO1	0.788	0.585	0.396	0.622	0.782	0.695	0.993	0.759	0.748	0.802	0.781
Compound_889	CCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1nccc2	0.584	0.663	0.801	0.559	0.37	0.538	0.988	0.911	0.577	0.052	0.248
Compound_890	FCCCCCn1nc(c2c1cccc2)C(=O)Nc1cccc2c1nccc2	0.604	0.654	0.931	0.598	0.426	0.549	0.988	0.98	0.559	0.198	0.241
Compound_891	CN1CCCCC1Cn1cc(c2c1cccc2)C(=O)C12CC3CC(C2)CC(C1)C3	0.583	0.772	0.252	0.275	0.467	0.505	0.176	0.028	0.249	0.011	0.622
Compound_892	CCCCCn1cc(c2c1cccc2)C(=O)OC	0.519	0.743	0.26	0.517	0.131	0.203	0.125	0.414	0.913	0.051	0.409
Compound_893	COC(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.628	0.677	0.701	0.543	0.277	0.397	0.891	0.194	0.92	0.852	0.357
Compound_894	COc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CC1CCCCC1	0.813	0.66	0.791	0.597	0.822	0.888	0.996	0.25	0.737	0.967	0.614
Compound_895	C1CCC(NC1)C(c1ccccc1)c1ccccc1	0.035	0.238	0.039	0.222	0.052	0.396	0.052	0.009	0.631	0.019	0.021
Compound_896	COc1ccc2c(c1)[nH]c1c2CCNC1C	0.341	0.643	0.393	0.377	0.677	0.689	0.002	0.029	0.443	0.009	0.721
Compound_897	O=C(c1cn(c2c1cccc2)CC1CCOCC1)CC(C(=C)C)(C)C	0.589	0.756	0.416	0.473	0.215	0.373	0.103	0.702	0.572	0.989	0.578
Compound_898	CCNC(C(=O)c1ccc(cc1)C)CC	0.02	0.117	0.182	0.201	0.007	0.081	0.001	0.169	0.195	0.709	0.057
Compound_899	NCCc1cc(OC)c(c(c1)OC)OCC	0.098	0.232	0.316	0.576	0.063	0.147	0.011	0.035	0.474	0.005	0.066
Compound_900	COc1cc(I)c(cc1CCNCc1cccc2c1OCO2)OC	0.144	0.588	0.802	0.39	0.199	0.618	0.444	0.082	0.263	0.185	0.72
Compound_901	COc1ccccc1CNCCc1cc(OC)c(c(c1OC)C)C	0.062	0.494	0.209	0.395	0.115	0.333	0.066	0.069	0.397	0.003	0.101
Compound_902	CCCCCn1c(CC)c(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.589	0.589	0.58	0.611	0.825	0.762	0.996	0.974	0.494	0.933	0.65
Compound_903	CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)F	0.812	0.569	0.763	0.614	0.622	0.488	0.996	0.973	0.746	0.522	0.585
Compound_904	CCC(Cc1ccc(cc1)Cl)N	0.113	0.161	0.525	0.427	0.06	0.408	0.019	0.01	0.561	0.716	0.02
Compound_905	Clc1ccc(cc1)Cn1c(c2ccccc2)c(c(c1C)C(=O)c1ccccc1)N	0.56	0.641	0.959	0.72	0.906	0.701	0.991	0.78	0.698	0.28	0.636
Compound_906	ClCCCCCn1cc(c2c1cccc2)C(=O)c1ccc(c2c1cccc2)C	0.795	0.514	0.364	0.651	0.818	0.735	0.999	0.875	0.355	0.899	0.872
Compound_907	CCCCC(C(=O)OCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.093	0.086	0.992	0.515	0.536	0.991	0.881
Compound_908	OCC(OCC(OCC(OCC(O)C)C)C)C	0.558	0.098	0.034	0.465	0.158	0.194	0.344	0.294	0.163	0.642	0.433
Compound_909	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.209	0.191	0.992	0.515	0.536	0.991	0.881
Compound_910	OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C	0.558	0.098	0.034	0.465	0.151	0.371	0.322	0.294	0.163	0.642	0.433
Compound_911	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.209	0.191	0.992	0.515	0.536	0.991	0.881
Compound_912	OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.203	0.491	0.741	0.294	0.163	0.642	0.433
Compound_913	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.209	0.191	0.992	0.515	0.536	0.991	0.881
Compound_914	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.129	0.17	0.992	0.515	0.536	0.991	0.881
Compound_915	OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.264	0.682	0.741	0.294	0.163	0.642	0.433
Compound_916	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.264	0.682	0.741	0.294	0.163	0.642	0.433
Compound_917	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.264	0.682	0.741	0.294	0.163	0.642	0.433
Compound_918	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.264	0.682	0.741	0.294	0.163	0.642	0.433
Compound_919	OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C	0.558	0.098	0.034	0.465	0.385	0.684	0.756	0.294	0.163	0.642	0.433
Compound_920	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C	0.949	0.113	0.118	0.731	0.916	0.956	0.953	0.987	0.716	0.958	0.551
Compound_921	C=CC(=O)OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C	0.949	0.113	0.118	0.731	0.896	0.927	0.953	0.987	0.716	0.958	0.551
Compound_922	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C	0.949	0.113	0.118	0.731	0.916	0.956	0.953	0.987	0.716	0.958	0.551
Compound_923	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.129	0.17	0.992	0.515	0.536	0.991	0.881
Compound_924	CCCCC(C(=O)OCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.129	0.17	0.992	0.515	0.536	0.991	0.881
Compound_925	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C	0.949	0.113	0.118	0.731	0.916	0.956	0.953	0.987	0.716	0.958	0.551
Compound_926	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C	0.949	0.113	0.118	0.731	0.916	0.956	0.953	0.987	0.716	0.958	0.551
Compound_927	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCO	0.964	0.211	0.112	0.72	0.731	0.613	0.913	0.884	0.235	0.958	0.407
Compound_928	CCCCCCCCCCCC(=O)OCCOCCOCCO	0.883	0.07	0.09	0.727	0.157	0.336	0.907	0.625	0.184	0.842	0.332
Compound_929	CCCCCCCCCCCC(=O)OCCOCCOCCOCCO	0.883	0.07	0.09	0.727	0.157	0.336	0.907	0.625	0.184	0.842	0.332
Compound_930	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCO	0.883	0.07	0.09	0.727	0.157	0.336	0.907	0.625	0.184	0.842	0.332
Compound_931	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO	0.964	0.211	0.112	0.72	0.619	0.615	0.922	0.884	0.235	0.958	0.407
Compound_932	CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCO	0.883	0.07	0.09	0.727	0.21	0.531	0.907	0.625	0.184	0.842	0.332
Compound_933	OCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.112	0.306	0.195	0.133	0.131	0.623	0.595
Compound_934	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.146	0.616	0.474	0.133	0.131	0.623	0.595
Compound_935	OCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.146	0.616	0.474	0.133	0.131	0.623	0.595
Compound_936	OCCCCOCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.146	0.616	0.474	0.133	0.131	0.623	0.595
Compound_937	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.196	0.762	0.474	0.133	0.131	0.623	0.595
Compound_938	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.299	0.766	0.446	0.133	0.131	0.623	0.595
Compound_939	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.299	0.766	0.446	0.133	0.131	0.623	0.595
Compound_940	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.299	0.766	0.446	0.133	0.131	0.623	0.595
Compound_941	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.299	0.766	0.446	0.133	0.131	0.623	0.595
Compound_942	OCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO	0.636	0.124	0.064	0.517	0.299	0.766	0.446	0.133	0.131	0.623	0.595
Compound_943	CC1=CCC2C(C1)c1c(O)cc(cc1OC2(C)C)C(c1ccccc1)(C)C	0.602	0.632	0.423	0.64	0.969	0.922	0.42	0.954	0.549	0.984	0.945
Compound_944	CN(C(=O)n1nnnc1Cc1ccc(cc1)c1ccccc1)C	0.453	0.613	0.646	0.697	0.138	0.856	0.634	0.543	0.567	0.049	0.256
Compound_945	C#CCCCCCCCCCNC(=O)Oc1cccc(c1)c1cccc(c1)C(=O)N	0.4	0.55	0.616	0.464	0.111	0.864	0.291	0.372	0.443	0.007	0.365
Compound_946	CCc1ccccc1n1c(C)nc2c(c1=O)cccc2	0.499	0.618	0.677	0.569	0.653	0.546	0.698	0.64	0.794	0.074	0.145
Compound_947	CNC(C(c1ccccc1)Cl)C	0.061	0.145	0.569	0.352	0.122	0.22	0.007	0.492	0.291	0.83	0.107
Compound_948	CCNC(C(=O)c1ccccc1CC)C	0.049	0.169	0.322	0.231	0.005	0.027	0.0	0.009	0.22	0.545	0.145
Compound_949	CNC(Cc1ccc(cc1)Cl)C	0.041	0.14	0.325	0.302	0.045	0.272	0.007	0.007	0.273	0.305	0.013
Compound_950	CNC(Cc1ccccc1OC)C	0.024	0.108	0.525	0.314	0.005	0.113	0.003	0.03	0.282	0.101	0.145
Compound_951	CC(=O)Oc1cccc2c1c(CCN(C(C)C)C(C)C)c[nH]2	0.131	0.642	0.667	0.198	0.618	0.655	0.256	0.058	0.45	0.072	0.251
Compound_952	CCCC(C(=O)c1ccc(cc1)F)NC	0.09	0.204	0.313	0.357	0.014	0.06	0.001	0.09	0.41	0.105	0.026
Compound_953	CCCC(C(=O)c1ccc(cc1)C)NC	0.041	0.139	0.181	0.326	0.008	0.094	0.001	0.157	0.312	0.207	0.028
Compound_954	COc1ccccc1CC(=O)c1cn(c2c1cccc2)CC1CCCCN1C	0.469	0.734	0.403	0.276	0.385	0.642	0.779	0.009	0.372	0.095	0.785
Compound_955	CCCn1cc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.761	0.574	0.672	0.622	0.538	0.567	0.996	0.935	0.786	0.182	0.582
Compound_956	CCCc1cc(OC)c(cc1OC)CCN	0.191	0.176	0.174	0.539	0.025	0.103	0.003	0.026	0.366	0.023	0.096
Compound_957	ClCCCCCn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C	0.622	0.667	0.22	0.543	0.58	0.416	0.877	0.878	0.239	0.956	0.815
Compound_958	CCCC(Cn1cc(c2c1cccc2)C(=O)C1C(C1(C)C)(C)C)Cl	0.608	0.593	0.594	0.562	0.698	0.385	0.895	0.83	0.478	0.933	0.823
Compound_959	CC(=O)Nc1ccccc1C(=O)O	0.18	0.399	0.174	0.238	0.102	0.136	0.576	0.266	0.71	0.024	0.219
Compound_960	NCCc1cc(OC)c(cc1OC)C(C)C	0.173	0.203	0.232	0.594	0.026	0.078	0.001	0.019	0.408	0.003	0.035
Compound_961	COc1cc(C(C)C)c(cc1CCNCc1ccccc1OC)OC	0.069	0.438	0.155	0.415	0.125	0.368	0.085	0.036	0.385	0.002	0.058
Compound_962	CC(NC)Cc1cccc2c1OCO2	0.086	0.488	0.884	0.253	0.004	0.126	0.013	0.064	0.182	0.971	0.459
Compound_963	CCCCCc1cc(O)c2c(c1)OC(C1C2CC(=CC1)C)(C)C	0.623	0.622	0.42	0.602	0.845	0.677	0.544	0.916	0.739	0.993	0.936
Compound_964	COc1ccc(cc1)C(=O)N1CCCC1=O	0.053	0.4	0.228	0.624	0.023	0.873	0.026	0.015	0.43	0.007	0.028
Compound_965	COc1cc2OCOc2cc1CC(N)C	0.306	0.371	0.714	0.522	0.059	0.191	0.018	0.063	0.426	0.077	0.488
Compound_966	CCCCc1cc(OC)c(cc1OC)CC(N)C	0.155	0.186	0.395	0.52	0.024	0.098	0.002	0.069	0.633	0.137	0.258
Compound_967	COc1ccc(cc1)C=Cc1cc(OC)cc(=O)o1	0.759	0.796	0.672	0.755	0.332	0.898	0.913	0.909	0.95	0.523	0.696
Compound_968	NCCc1c[nH]c2c1cccc2F	0.192	0.351	0.613	0.44	0.267	0.647	0.024	0.105	0.448	0.007	0.127
Compound_969	CCCCCCC(C(=O)c1ccc(cc1)OC)N1CCCC1	0.191	0.486	0.119	0.233	0.098	0.785	0.038	0.194	0.384	0.359	0.241
Compound_970	CCCCCn1c2ccccc2nc1C(=O)c1cccc2c1cccc2	0.259	0.706	0.336	0.584	0.582	0.749	0.996	0.942	0.692	0.529	0.376
Compound_971	CCCC(C(=O)c1ccccc1)NCCC	0.044	0.185	0.047	0.186	0.007	0.051	0.001	0.258	0.417	0.733	0.027
Compound_972	C=CCc1cc(OC)c2c(c1)OCO2	0.672	0.244	0.945	0.633	0.398	0.272	0.918	0.972	0.433	0.967	0.636
Compound_973	CCCCCn1cc(c2c1cccc2)C(=O)Oc1cccc2c1cccc2	0.608	0.628	0.422	0.559	0.841	0.75	0.996	0.768	0.88	0.512	0.564
Compound_974	CCC(Cc1ccccc1)NC	0.02	0.159	0.403	0.251	0.006	0.092	0.001	0.018	0.575	0.519	0.036
Compound_975	COc1cc(CCNCC(Cn2ccc3c2cccc3)O)ccc1OC	0.139	0.553	0.717	0.303	0.229	0.647	0.003	0.069	0.181	0.046	0.337
Compound_976	CC(=O)Nc1cccc(c1)OCCCNc1ncnc2c1c(cs2)c1ccccc1	0.5	0.619	0.85	0.585	0.442	0.756	0.982	0.394	0.567	0.046	0.292
Compound_977	CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCCCC1	0.325	0.46	0.257	0.541	0.591	0.594	0.029	0.616	0.376	0.579	0.26
Compound_978	CCCCCCCc1ccc(cc1)C(=O)NC(=S)Nc1noc(c1)C	0.655	0.586	0.125	0.411	0.317	0.876	0.743	0.434	0.762	0.988	0.342
Compound_979	CCOC(=O)C(=C(Nc1ccc(cc1)F)C)C1CC(=O)N(C1=O)c1ccccc1	0.512	0.688	0.855	0.543	0.632	0.733	0.702	0.861	0.426	0.368	0.742
Compound_980	Clc1ccc(cc1)C=NN=C(C(=O)c1ccccc1)c1ccccc1	0.413	0.69	0.687	0.576	0.835	0.965	0.972	0.427	0.319	0.918	0.941
Compound_981	N#Cc1c(N)nc2c(c1c1ccccc1)cc(cc2)Cl	0.811	0.762	0.935	0.741	0.899	0.799	0.965	0.612	0.919	0.843	0.378
Compound_982	CC=C(C(=O)Nc1ccccc1CC1N(C)CCc2c1cccc2)C	0.234	0.644	0.441	0.25	0.149	0.42	0.022	0.255	0.386	0.427	0.059
Compound_983	OCc1c(CSCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)cnc(c1O)C	0.441	0.642	0.321	0.41	0.53	0.526	0.893	0.461	0.413	0.149	0.396
Compound_984	OC1=NC(Nc2c1cc(cc2)N(=O)=O)C1CCC=CC1	0.547	0.445	0.437	0.551	0.396	0.848	0.025	0.41	0.858	0.234	0.51
Compound_985	Oc1ccc(cc1)CCc1n[nH]c(=S)n1C(c1ccccc1)C	0.386	0.517	0.545	0.533	0.215	0.891	0.012	0.112	0.555	0.348	0.266
Compound_986	O=C(Nc1cccc2c1nccc2)CN1CCOCC1	0.158	0.487	0.615	0.249	0.074	0.428	0.007	0.649	0.372	0.88	0.456
Compound_987	Clc1ccc(cc1)SCCN=Cc1ccc(s1)N(=O)=O	0.461	0.447	0.822	0.62	0.642	0.809	0.965	0.992	0.348	0.98	0.734
Compound_988	CC(NC(=S)NCCc1ccncc1)C	0.038	0.147	0.074	0.338	0.017	0.543	0.0	0.027	0.337	0.035	0.065
Compound_989	Cc1ccc(cc1)SCCNC(=O)c1cccnc1Oc1ccccc1	0.378	0.411	0.172	0.44	0.584	0.494	0.169	0.761	0.392	0.004	0.131
Compound_990	Clc1ccc(c(c1)NC(=O)c1ccccc1CN1CCOCC1)O	0.505	0.592	0.868	0.405	0.683	0.634	0.192	0.304	0.486	0.755	0.619
Compound_991	CCCCCC(=O)c1cc(C)c(cc1NC(=O)C)C	0.668	0.365	0.176	0.458	0.112	0.499	0.603	0.143	0.754	0.362	0.314
Compound_992	Cc1ccc(c(c1)C)n1nnnc1c1ccc(c(c1)Cl)Cl	0.694	0.601	0.965	0.75	0.547	0.753	0.767	0.837	0.714	0.313	0.391
Compound_993	COc1cccc(c1)c1nnc(o1)c1ccccc1NS(=O)(=O)c1ccc(cc1)Cl	0.173	0.424	0.72	0.618	0.701	0.664	0.812	0.269	0.377	0.699	0.417
Compound_994	O=C(Nc1ccc2c(c1)COCO2)CCC(N1C(=O)c2c(C1=O)cccc2)C(=O)O	0.304	0.615	0.86	0.456	0.43	0.618	0.901	0.375	0.285	0.58	0.41
Compound_995	O=C(Nc1cccnc1Oc1ccc(cc1F)F)C=Cc1ccccc1	0.697	0.601	0.942	0.656	0.5	0.536	0.919	0.417	0.552	0.975	0.704
Compound_996	O=C(Nc1ccc(cc1)Cl)NNC(=O)c1ncc(cc1Cl)C(F)(F)F	0.54	0.605	0.971	0.724	0.4	0.66	0.775	0.985	0.467	0.401	0.453
Compound_997	O=C(c1cccnc1Oc1ccccc1)ON1C(=O)C2C(C1=O)C1OC2C=C1	0.678	0.668	0.878	0.607	0.373	0.252	0.234	0.395	0.48	0.229	0.824
Compound_998	CCOC(=O)C(C(=O)C(F)(F)F)C(c1ccco1)NC(=S)N	0.236	0.405	0.157	0.496	0.114	0.437	0.728	0.745	0.396	0.018	0.769
Compound_999	COc1c(OC)ccc(c1Cl)CSCC(=O)c1ccc(c(c1)Cl)Cl	0.655	0.424	0.985	0.615	0.817	0.792	0.931	0.404	0.424	0.82	0.907
Compound_1000	CCCc1c(cc(cc1N(=O)=O)C(=O)O)N(=O)=O	0.578	0.274	0.16	0.323	0.227	0.21	0.953	0.927	0.379	0.842	0.71