Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	ClCc1c(C)c(C)cc(c1C)C	0.816	0.209	0.911	0.657	0.184	0.189	0.994	0.898	1.007	0.972	0.59
Compound_2	ClCc1cc(cc(c1)N(=O)=O)N(=O)=O	0.959	0.348	0.884	0.734	0.239	0.272	0.998	0.997	0.724	0.995	0.901
Compound_3	Oc1ccc2c(c1)c1nc[nH]c1cc2	0.338	0.771	0.975	0.546	0.464	0.744	0.18	0.701	0.374	0.873	0.992
Compound_4	CCCCOP(=O)(C(=O)N(CC)CC)OCCCC	0.215	0.135	0.154	0.598	0.142	0.114	0.28	0.081	0.279	0.715	0.388
Compound_5	CCN(CCOc1ccccc1)CC	0.154	0.273	0.23	0.401	0.081	0.094	0.011	0.138	0.12	0.119	0.049
Compound_6	NC(=O)c1cncs1	0.128	0.429	0.064	0.227	0.07	0.385	0.01	0.002	0.698	0.096	0.357
Compound_7	CCCCCCCCCCCCCCCCCC(=O)N(CO)CO	0.77	0.125	0.044	0.529	0.026	0.679	0.71	0.084	0.187	0.022	0.368
Compound_8	NCCNC(=O)C(C(C(C(CO)O)O)O)O	0.009	0.096	0.001	0.216	0.023	0.059	0.0	0.001	0.075	0.005	0.046
Compound_9	O=C1CCC(=O)OCC(CO1)(C)C	0.864	0.247	0.303	0.655	0.078	0.418	0.906	0.663	0.702	0.857	0.429
Compound_10	CCCCCCCCCCCC(c1ccc(cc1)O)c1ccc(cc1)O	0.972	0.573	0.453	0.622	0.944	0.986	0.963	0.986	0.768	0.993	0.937
Compound_11	CCN(c1ccccc1)O	0.901	0.265	0.87	0.593	0.253	0.788	0.478	0.219	0.239	0.622	0.754
Compound_12	CCNc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O	0.812	0.267	0.937	0.454	0.593	0.133	0.022	0.5	0.595	0.804	0.838
Compound_13	OP(=O)(CCCCCCCCCCCCP(=O)(O)O)O	0.89	0.105	0.038	0.284	0.701	0.286	0.744	0.016	0.768	0.714	0.191
Compound_14	CCCCCCCCOC(=O)Cl	0.938	0.032	0.26	0.723	0.192	0.109	0.998	0.998	0.91	1.0	0.964
Compound_15	COCCOC(=O)CO	0.729	0.062	0.093	0.584	0.046	0.085	0.26	0.344	0.557	0.489	0.441
Compound_16	Oc1c2cccc1Cc1cccc(c1O)Cc1c(c(Cc3c(c(C2)ccc3)O)ccc1)O	0.606	0.699	0.359	0.591	0.977	0.968	0.803	0.963	0.799	0.985	0.949
Compound_17	O=CCOCC=O	0.807	0.126	0.171	0.418	0.017	0.566	0.934	0.768	0.77	0.941	0.922
Compound_18	CCOC(=O)CC(C(=O)OCC)C(=O)OCC	0.837	0.014	0.399	0.663	0.146	0.076	0.965	0.776	0.453	0.984	0.944
Compound_19	O=c1[nH]c(=O)[nH]c(n1)c1ccccc1	0.484	0.451	0.363	0.635	0.044	0.41	0.598	0.301	0.852	0.034	0.272
Compound_20	CCOC(=O)C(C(=O)OCC)(CC(=O)OCC)CC(=O)OCC	0.715	0.001	0.311	0.594	0.246	0.172	0.956	0.725	0.489	0.975	0.947
Compound_21	CCCNC(=O)c1ccccc1O	0.106	0.443	0.262	0.437	0.012	0.246	0.048	0.175	0.302	0.003	0.015
Compound_22	CN(S(=O)(=O)c1ccc(cc1)Cl)C	0.55	0.405	0.487	0.483	0.315	0.715	0.711	0.033	0.365	0.951	0.465
Compound_23	CC(=O)Nc1ccc(cc1)N(C)C	0.658	0.285	0.917	0.516	0.032	0.304	0.246	0.132	0.927	0.442	0.371
Compound_24	Cc1c(NC(=O)C)cccc1Cl	0.653	0.439	0.874	0.581	0.458	0.251	0.997	0.657	0.845	0.957	0.399
Compound_25	Oc1cc(C)c(c(c1)C)Br	0.886	0.116	0.417	0.641	0.552	0.656	0.74	0.115	0.706	0.983	0.792
Compound_26	Cn1c(=O)c2[nH]c(=O)n(c2n(c1=O)C)C	0.387	0.467	0.07	0.288	0.15	0.088	0.001	0.007	0.412	0.007	0.366
Compound_27	CC1(C)COCCOCCOCCOCCO1	0.745	0.192	0.024	0.507	0.133	0.14	0.978	0.077	0.794	0.977	0.835
Compound_28	CC1(C)COCCOCCOCCO1	0.745	0.192	0.024	0.507	0.133	0.14	0.978	0.077	0.794	0.977	0.439
Compound_29	O=C1c2cc(cc(c2c2c1cc(cc2N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.952	0.805	0.966	0.758	0.375	0.608	0.939	0.975	0.45	0.998	0.947
Compound_30	NNC(=O)c1ccccc1OC	0.397	0.391	0.917	0.461	0.064	0.725	0.373	0.011	0.665	0.109	0.111
Compound_31	N#Cc1ccc(cc1)OCCCCCOc1ccc(cc1)C#N	0.893	0.633	0.509	0.713	0.94	0.726	0.986	0.978	0.695	0.98	0.974
Compound_32	CCCCCCCSc1ncn[nH]1	0.569	0.433	0.48	0.62	0.242	0.479	0.149	0.613	0.657	0.756	0.549
Compound_33	CCCCCCSc1ncn[nH]1	0.547	0.433	0.48	0.62	0.222	0.467	0.195	0.613	0.649	0.756	0.549
Compound_34	COc1ccc(cc1)C1(CCCCC1)C(=O)O	0.252	0.475	0.412	0.335	0.701	0.885	0.738	0.011	0.116	0.378	0.117
Compound_35	CCC(=O)Nc1cccc(c1)N(=O)=O	0.72	0.236	0.579	0.558	0.076	0.193	0.826	0.834	0.259	0.824	0.125
Compound_36	Nc1sc2c(n1)c(O)ccc2	0.851	0.773	0.916	0.671	0.329	0.732	0.11	0.948	0.877	0.832	0.711
Compound_37	OC(=O)C(c1ccc2c(c1)CC(=O)c1c(S2)cccc1)C	0.145	0.528	0.022	0.292	0.778	0.49	0.81	0.023	0.061	0.221	0.302
Compound_38	O=N(=O)c1c(C)ccc2c1nccc2	0.64	0.661	0.953	0.531	0.36	0.166	0.043	0.87	0.693	0.972	0.956
Compound_39	Cc1cc(CC(c2cc(C)cc(c2O)C)(C)C)c(c(c1)C)OC(=O)c1ccccc1	0.464	0.572	0.369	0.598	0.985	0.996	0.534	0.486	0.703	0.72	0.177
Compound_40	O=C(C(Cl)(C)C)c1ccccc1	0.97	0.161	0.762	0.727	0.309	0.566	0.976	0.943	0.787	0.981	0.79
Compound_41	N#CC(=O)c1ccncc1	0.541	0.209	0.565	0.556	0.046	0.084	0.006	0.144	0.57	0.856	0.862
Compound_42	ClCC(=O)OCCc1ccccc1	0.65	0.129	0.596	0.764	0.473	0.152	0.998	0.873	0.944	0.997	0.914
Compound_43	CCOC(=O)C(C(=O)c1cc(OC)c(c(c1)OC)OC)C(=O)OCC	0.725	0.21	0.787	0.651	0.759	0.593	0.985	0.103	0.669	0.411	0.607
Compound_44	CN(c1ccc(cc1)C(=C)c1ccc(cc1)N(C)C)C	0.992	0.673	0.903	0.574	0.616	0.963	0.984	0.644	0.978	0.979	0.907
Compound_45	CCCCC1COC(OC1)c1ccc(cc1)C#N	0.695	0.523	0.527	0.569	0.355	0.385	0.944	0.83	0.703	0.787	0.83
Compound_46	COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)N	0.137	0.573	0.961	0.593	0.367	0.91	0.002	0.96	0.618	0.018	0.409
Compound_47	COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)n1cn[nH]c1=O	0.195	0.627	0.407	0.585	0.354	0.931	0.021	0.034	0.525	0.006	0.054
Compound_48	CCOC(=O)c1cc(Cl)c(c(c1)Cl)N	0.433	0.299	0.995	0.645	0.284	0.689	0.995	0.038	0.478	0.651	0.513
Compound_49	CCCCCCCCCCCCCCCCNC(=O)c1cc(Cl)c2c(c1O)cccc2	0.583	0.624	0.337	0.449	0.262	0.878	0.756	0.915	0.557	0.392	0.365
Compound_50	CC(Oc1ccc(cc1)O)C	0.833	0.103	0.806	0.688	0.653	0.461	0.892	0.184	0.927	0.201	0.153
Compound_51	OC(=O)C1CCC(=O)N1C(=O)C1CCCN1	0.013	0.224	0.029	0.145	0.126	0.074	0.004	0.028	0.177	0.01	0.115
Compound_52	N#CCc1ccc2c(c1)cccc2	0.897	0.633	0.902	0.631	0.478	0.157	0.985	0.992	0.958	0.957	0.983
Compound_53	OC(=O)CCC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1	0.682	0.537	0.62	0.325	0.877	0.878	0.986	0.427	0.527	0.023	0.105
Compound_54	CCCCCCCC(=O)OCc1c(CO)cnc(c1OC(=O)CCCCCCC)C	0.557	0.483	0.328	0.472	0.049	0.217	0.003	0.219	0.357	0.272	0.746
Compound_55	CCCCCCN1CCOCCOCCOCCOCC1	0.199	0.334	0.052	0.093	0.086	0.645	0.944	0.432	0.708	0.923	0.457
Compound_56	CCCCCCCCN1CCOCCOCCOCCOCC1	0.45	0.334	0.052	0.093	0.113	0.77	0.957	0.432	0.812	0.923	0.457
Compound_57	CCCCCCCCCCN1CCOCCOCCOCCOCC1	0.482	0.334	0.052	0.093	0.113	0.77	0.957	0.432	0.812	0.923	0.457
Compound_58	CCCCCCCCCCCCN1CCOCCOCCOCCOCC1	0.482	0.334	0.052	0.093	0.113	0.77	0.957	0.432	0.812	0.923	0.457
Compound_59	COc1ccc(cc1)C(c1ccc(cc1)OC)c1ccccc1	0.791	0.64	0.784	0.697	0.959	0.989	0.946	0.008	0.468	0.797	0.825
Compound_60	CC(C1=NN=C(C=C(C1)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)(C)C	0.733	0.702	0.309	0.463	0.94	0.983	0.847	0.639	0.65	0.36	0.616
Compound_61	CCCCOCN1COCN(C1=O)COCCCC	0.439	0.34	0.048	0.547	0.033	0.034	0.107	0.059	0.596	0.871	0.565
Compound_62	O=C(C(NS(=O)(=O)c1ccc(cc1)C)C)Oc1c[nH]c2c1cccc2	0.384	0.442	0.697	0.2	0.613	0.63	0.97	0.864	0.372	0.032	0.255
Compound_63	CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)c1ccc(cc1)F)c1ccc(cc1)Br	0.277	0.535	0.12	0.093	0.202	0.648	0.031	0.492	0.336	0.025	0.363
Compound_64	CC(=O)Oc1ccc(c(c1)C(C)(C)C)OC(=O)C	0.365	0.166	0.731	0.644	0.642	0.096	0.313	0.799	0.765	0.732	0.344
Compound_65	ClCc1ccccc1Cc1ccccc1	0.806	0.404	0.828	0.655	0.626	0.541	0.985	0.983	0.984	0.999	0.98
Compound_66	N#CC1=C(C)/C(=N\Nc2ccc(cc2N(=O)=O)OC)/C(=O)NC1=O	0.632	0.712	0.761	0.452	0.783	0.574	0.097	0.961	0.435	0.171	0.881
Compound_67	C=CCN(c1ccc(c(c1)NC(=O)C)N=Nc1ccc(cc1Cl)N(=O)=O)CCC#N	0.771	0.561	0.326	0.571	0.675	0.653	0.899	0.982	0.483	0.977	0.645
Compound_68	ClC(=O)c1ccc(cc1)S(=O)(=O)Cl	0.882	0.371	0.771	0.684	0.295	0.279	0.988	0.887	0.496	0.983	0.491
Compound_69	COC(=O)C(CC(C)C)N	0.028	0.041	0.182	0.346	0.008	0.001	0.003	0.02	0.162	0.043	0.104
Compound_70	ON=C	0.777	0.239	0.604	0.491	0.5	0.239	0.072	0.834	0.776	0.984	0.823
Compound_71	C1CC1	0.862	0.189	0.313	0.516	0.097	0.035	0.943	0.863	0.888	0.999	0.87
Compound_72	CN([C@@H]1C(=O)/C(=C(\NCN2CCCC2)/O)/C(=O)[C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)C	0.619	0.789	0.007	0.213	0.301	0.456	0.066	0.057	0.359	0.065	0.208
Compound_73	CCN(c1ccc(c(c1)C)N=Nc1c(C#N)cc(cc1C#N)C)CC	0.689	0.811	0.973	0.651	0.749	0.633	0.987	0.96	0.86	0.971	0.694
Compound_74	CCN(P(=O)(N(CC)CC)OCC=C)CC	0.31	0.075	0.644	0.645	0.469	0.11	0.08	0.973	0.181	0.959	0.653
Compound_75	OCc1c(C)c(C)c(c(c1C)C)CO	0.425	0.176	0.209	0.476	0.049	0.079	0.671	0.153	0.815	0.455	0.584
Compound_76	COc1cc(OC)ccc1C(=O)c1ccc(cc1)OCC(=O)O	0.338	0.574	0.181	0.359	0.86	0.481	0.975	0.071	0.411	0.066	0.515
Compound_77	CC(c1cc(CN(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C	0.52	0.549	0.127	0.369	0.519	0.982	0.029	0.944	0.688	0.163	0.284
Compound_78	CC(OOC1(OOC(C)(C)C)CC(C)(C)NC(C1)(C)C)(C)C	0.182	0.33	0.045	0.395	0.025	0.167	0.077	0.043	0.238	0.329	0.108
Compound_79	C=CCOCCOCC=C	0.958	0.159	0.504	0.621	0.703	0.61	1.0	0.952	0.377	0.995	0.888
Compound_80	Brc1cc(C)c(c(c1)Cl)O	0.873	0.122	0.654	0.63	0.649	0.617	0.965	0.949	0.691	0.995	0.916
Compound_81	CC(I)C	0.869	0.224	0.523	0.623	0.124	0.164	0.991	0.99	0.625	0.997	0.695
Compound_82	COc1ccc(cc1)C(=O)Nc1cccc2c1C(=O)c1c(C2=O)c(ccc1)NC(=O)c1ccc(cc1)OC	0.744	0.798	0.982	0.771	0.913	0.938	0.976	0.418	0.681	0.634	0.903
Compound_83	N#CSCc1c(Cl)cccc1Cl	0.88	0.187	0.513	0.622	0.627	0.251	0.997	0.839	0.495	0.994	0.946
Compound_84	O=C([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Oc1ccc(cc1)N(=O)=O	0.515	0.793	0.086	0.485	0.876	0.834	0.269	0.855	0.294	0.325	0.551
Compound_85	CCCC(=O)NC(C(=O)O)CCCCN	0.014	0.067	0.003	0.161	0.025	0.002	0.0	0.001	0.115	0.003	0.02
Compound_86	CCCCCCCCCC(=O)NC(C(=O)O)CCCCN	0.073	0.078	0.003	0.161	0.044	0.025	0.074	0.001	0.238	0.006	0.028
Compound_87	ClCC(C)(C)C	0.938	0.067	0.428	0.626	0.194	0.062	0.994	0.99	0.918	0.992	0.828
Compound_88	CCC(CC#N)N	0.288	0.115	0.188	0.412	0.106	0.027	0.001	0.163	0.653	0.862	0.44
Compound_89	NC(=O)C(C)(C)C	0.186	0.061	0.045	0.255	0.009	0.004	0.187	0.024	0.366	0.082	0.273
Compound_90	Oc1ccc(cc1N)S(=O)(=O)c1ccc(c(c1)N)O	0.505	0.315	0.813	0.561	0.432	0.602	0.498	0.344	0.634	0.126	0.425
Compound_91	Oc1cc2ccc(cc2c(c1)S(=O)(=O)O)N1N=C(CC1=O)C	0.492	0.493	0.466	0.437	0.629	0.674	0.804	0.613	0.406	0.056	0.379
Compound_92	CC(=O)Nc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)NC(=O)C	0.533	0.76	0.904	0.647	0.903	0.507	0.972	0.883	0.722	0.717	0.944
Compound_93	COC(=O)C(C(OC)(F)F)(F)F	0.907	0.035	0.872	0.678	0.338	0.02	0.957	0.977	0.479	0.485	0.861
Compound_94	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)Oc1c(O)ccc(c1O)C(=O)c1ccccc1	0.659	0.577	0.741	0.81	0.816	0.798	0.685	0.902	0.439	0.188	0.182
Compound_95	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)Oc1c(ccc(c1O)O)C(=O)c1ccccc1	0.739	0.577	0.77	0.791	0.816	0.798	0.685	0.902	0.439	0.188	0.211
Compound_96	Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1cccc2c1cccc2	0.883	0.308	0.996	0.564	0.895	0.686	0.945	0.929	0.518	0.118	0.271
Compound_97	OCCC(CCO)(O)C	0.582	0.156	0.089	0.496	0.029	0.017	0.494	0.107	0.163	0.421	0.174
Compound_98	NS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)N	0.411	0.312	0.007	0.175	0.235	0.558	0.11	0.005	0.218	0.003	0.191
Compound_99	CCn1/c(=C\2/SC(=S)N(C2=O)CC(=O)O)/sc2c1cccc2	0.673	0.414	0.027	0.327	0.533	0.283	0.435	0.134	0.578	0.358	0.389
Compound_100	O=Cc1ccc2c(c1)c1ccccc1n2CC	0.737	0.63	0.76	0.609	0.462	0.93	0.682	0.583	0.445	0.806	0.855
Compound_101	N#N=Nc1cccc(c1)S(=O)(=O)c1cccc(c1)N=N#N	0.801	0.38	0.763	0.653	0.456	0.704	0.707	0.169	0.704	0.592	0.405
Compound_102	O=N(=O)c1cc(ccc1OCCCOc1ccc(cc1N(=O)=O)N(=O)=O)N(=O)=O	0.741	0.663	0.717	0.619	0.892	0.917	0.949	0.972	0.795	0.991	0.911
Compound_103	Nc1ccc(cc1)Cc1ccc(c(c1)N)C	0.667	0.682	0.956	0.519	0.442	0.731	0.995	0.925	0.849	0.934	0.877
Compound_104	O=C=Nc1ccc(cc1)Cc1ccc(c(c1)N=C=O)C	0.74	0.689	0.934	0.602	0.731	0.838	1.0	0.77	0.827	0.948	0.783
Compound_105	O=C=Nc1ccc(cc1)Sc1ccccc1N=C=O	0.323	0.601	0.891	0.64	0.876	0.394	0.971	0.587	0.661	0.989	0.914
Compound_106	O=C(C(=O)OCc1ccccc1)OCc1ccccc1	0.519	0.51	0.688	0.56	0.13	0.36	0.998	0.871	0.27	0.849	0.945
Compound_107	OCCn1n(CCO)c(=O)n(c1=O)CCO	0.446	0.212	0.017	0.442	0.016	0.208	0.008	0.053	0.187	0.01	0.5
Compound_108	CCCCCCCCc1ccc(c(c1)O)O	0.978	0.282	0.37	0.603	0.815	0.141	0.836	0.98	0.332	0.991	0.763
Compound_109	O=C(C(=O)C(=O)O)C(=O)O	0.485	0.086	0.047	0.221	0.136	0.094	0.485	0.439	0.341	0.02	0.621
Compound_110	BrCC(Br)(Cl)Cl	0.947	0.073	0.433	0.635	0.196	0.295	0.932	0.891	0.482	1.0	0.96
Compound_111	O=C(c1ccc(c(c1)S(=O)(=O)N)Cl)NN1Cc2c(C1C)cccc2	0.083	0.533	0.124	0.188	0.435	0.667	0.516	0.035	0.378	0.052	0.269
Compound_112	O=C([C@H]1[C@@H](C1(C)C)C=C(Cl)Cl)OCc1c(F)c(F)c(c(c1F)F)F	0.781	0.434	0.561	0.648	0.77	0.305	0.946	0.997	0.084	0.991	0.467
Compound_113	Oc1cc(Cl)c(cc1Cl)I	0.909	0.175	0.429	0.637	0.731	0.591	0.954	0.995	0.679	0.994	0.841
Compound_114	CCCCCCCCCCCCNC(=O)c1cc(Cl)c2c(c1O)cccc2	0.583	0.624	0.337	0.449	0.262	0.878	0.756	0.915	0.557	0.392	0.365
Compound_115	COC(=O)Cc1c(C)[nH]c2c1cc(OC)cc2	0.161	0.595	0.961	0.578	0.608	0.691	0.876	0.257	0.67	0.061	0.769
Compound_116	O=CNc1scc(n1)CC(=O)O	0.156	0.467	0.192	0.315	0.057	0.499	0.009	0.684	0.381	0.001	0.252
Compound_117	CCC(=O)N(C)C	0.223	0.089	0.186	0.474	0.007	0.011	0.032	0.074	0.262	0.182	0.425
Compound_118	CCOC(=O)C(C(C)(C)C)C(=O)OCC	0.815	0.016	0.507	0.583	0.182	0.045	0.91	0.25	0.442	0.542	0.879
Compound_119	CCCCNS(=O)(=O)c1cccc2c1c(O)cc(c2)S(=O)(=O)Nc1ccc(cc1)Cl	0.323	0.428	0.651	0.398	0.694	0.732	0.053	0.983	0.382	0.167	0.241
Compound_120	CCCCNS(=O)(=O)c1cccc2c1c(O)cc(c2)S(=O)(=O)Nc1ccccc1	0.306	0.423	0.35	0.349	0.635	0.736	0.073	0.99	0.381	0.049	0.117
Compound_121	CCOC(=O)C(C(=O)OCC)C(C)C	0.809	0.029	0.507	0.604	0.122	0.028	0.931	0.217	0.296	0.586	0.899
Compound_122	BrC(C(Br)(Br)Br)Br	0.917	0.075	0.433	0.583	0.108	0.418	0.888	0.883	0.926	1.0	0.927
Compound_123	CC(=O)C(C)(C)C	0.891	0.064	0.435	0.501	0.028	0.008	0.807	0.252	0.402	0.994	0.858
Compound_124	CC(c1ccc(c(c1)C(C)(C)C)O)C	0.699	0.051	0.7	0.625	0.514	0.955	0.132	0.9	0.776	0.988	0.5
Compound_125	CCOC(CP(=O)(OCC)OCC)OCC	0.796	0.107	0.313	0.503	0.384	0.432	0.904	0.706	0.385	0.993	0.534
Compound_126	Cc1c(C(=O)OCC)c2c([nH]1)ccc(c2)O	0.464	0.519	0.991	0.606	0.882	0.695	0.908	0.152	0.42	0.018	0.963
Compound_127	CCOC(=O)c1cc(Br)ccc1Cl	0.786	0.151	0.99	0.664	0.641	0.494	0.987	0.064	0.442	0.991	0.658
Compound_128	CCC(=C)CC	0.925	0.198	0.214	0.542	0.058	0.001	0.961	0.979	0.891	0.999	0.966
Compound_129	Nc1snc(n1)C(=NOC(C(=O)OC(C)(C)C)(C)C)C(=O)O	0.225	0.446	0.012	0.193	0.09	0.458	0.044	0.006	0.218	0.074	0.598
Compound_130	C1CC2=C(C1)CC=CC2	0.988	0.487	0.815	0.606	0.5	0.087	0.994	0.788	0.934	0.999	0.525
Compound_131	N#CCS(=O)(=O)c1ccccc1	0.854	0.389	0.223	0.548	0.241	0.349	0.988	0.223	0.495	0.28	0.402
Compound_132	CCOC(=O)CS(=O)(=O)c1ccccc1	0.465	0.366	0.609	0.635	0.24	0.378	0.979	0.658	0.433	0.911	0.12
Compound_133	COC(=O)[C@@H]1CCCC[C@H]1C	0.904	0.11	0.243	0.524	0.073	0.006	0.972	0.929	0.414	0.961	0.183
Compound_134	CCOC(=O)CN(Cc1ccccc1)C=O	0.115	0.299	0.374	0.651	0.028	0.104	0.116	0.883	0.265	0.356	0.079
Compound_135	COC(=O)c1c[nH]c(=S)n1Cc1ccccc1	0.127	0.402	0.061	0.438	0.021	0.479	0.006	0.031	0.791	0.153	0.371
Compound_136	COCCCN(CCO)CCO	0.026	0.066	0.119	0.112	0.043	0.047	0.005	0.205	0.721	0.007	0.22
Compound_137	Cc1[nH]n(c(=O)c1C)c1ccc(cc1)S(=O)(=O)O	0.157	0.385	0.356	0.331	0.473	0.557	0.029	0.02	0.382	0.021	0.25
Compound_138	CCN1CC(=O)N=C1N	0.049	0.32	0.822	0.685	0.004	0.012	0.0	0.811	0.244	0.003	0.275
Compound_139	ICc1ccc(o1)C=O	0.475	0.2	0.662	0.623	0.02	0.257	0.96	1.0	0.656	0.867	0.884
Compound_140	CCCCCCCCCCCCCCCCCCOCCCN	0.356	0.127	0.029	0.421	0.037	0.202	0.461	0.025	0.511	0.95	0.263
Compound_141	CCCCCCCCCCCCCCOCCCN	0.356	0.127	0.029	0.421	0.037	0.202	0.461	0.025	0.511	0.95	0.263
Compound_142	CCC(S(=O)(=O)CC)(S(=O)(=O)CC)C	0.633	0.121	0.223	0.531	0.489	0.295	0.964	0.909	0.383	0.997	0.087
Compound_143	CCCCCCCCC(=O)OOC(=O)CCCCCCCC	0.945	0.039	0.203	0.583	0.099	0.064	0.996	0.953	0.107	0.986	0.868
Compound_144	Nc1ccc(cc1)c1[nH]c2c(n1)ccc(c2)N	0.584	0.8	0.918	0.751	0.749	0.761	0.38	0.713	0.619	0.906	0.855
Compound_145	CCOC(=O)C#CC(=O)OCC	0.724	0.14	0.826	0.604	0.127	0.542	0.995	0.241	0.527	0.894	0.732
Compound_146	O=C1NC(=O)NC(=O)C1(O)C1(O)C(=O)NC(=O)NC1=O	0.092	0.436	0.152	0.208	0.265	0.151	0.005	0.046	0.281	0.109	0.328
Compound_147	ICOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C	0.229	0.388	0.429	0.59	0.876	0.26	0.87	0.998	0.236	0.286	0.594
Compound_148	ClCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C	0.287	0.388	0.429	0.59	0.922	0.145	0.904	0.998	0.191	0.563	0.582
Compound_149	Clc1cc2c(O)csc2c(c1Cl)Cl	0.788	0.633	0.983	0.553	0.711	0.677	0.983	0.966	0.925	0.996	0.89
Compound_150	C=CCC(C)(C)C	0.888	0.028	0.308	0.665	0.201	0.005	0.967	0.981	0.517	0.998	0.751
Compound_151	O=COC(C)(C)C	0.804	0.036	0.057	0.508	0.035	0.066	0.87	0.759	0.773	0.931	0.779
Compound_152	C=CCC(=C)C	0.843	0.186	0.553	0.63	0.109	0.002	0.977	0.996	0.355	0.999	0.929
Compound_153	CC(=O)CC(=O)NC(=O)N	0.085	0.065	0.016	0.174	0.025	0.045	0.047	0.017	0.488	0.025	0.09
Compound_154	Oc1cc2c(cc1O)oc1c(c2c2cccnc2)cc(c(=O)c1)O	0.754	0.877	0.972	0.761	0.48	0.508	0.43	0.974	0.634	0.039	0.893
Compound_155	OCC(N(=O)=O)(C)C	0.474	0.097	0.125	0.439	0.025	0.1	0.729	0.951	0.396	0.001	0.574
Compound_156	O=C1c2c(ccc(c2C(=O)c2c1cccc2)Nc1c(C)cccc1C)Nc1c(C)cccc1C	0.565	0.825	0.967	0.671	0.928	0.486	0.991	0.919	0.79	0.887	0.995
Compound_157	CC#CCO	0.831	0.212	0.271	0.484	0.026	0.294	0.954	0.498	0.479	0.279	0.679
Compound_158	Brc1cc(Cl)c2c(c1O)nccc2	0.632	0.662	0.818	0.274	0.636	0.657	0.115	0.561	0.8	0.999	0.998
Compound_159	O=C1c2c(cccc2C(=O)c2c1cccc2Sc1ccccc1C(=O)O)Sc1ccccc1C(=O)O	0.297	0.53	0.575	0.378	0.924	0.86	0.773	0.619	0.597	0.451	0.892
Compound_160	CC(=CC=C(C)C)C	0.908	0.078	0.867	0.632	0.123	0.006	0.984	0.99	0.917	0.999	0.959
Compound_161	CC1=C(C)C2(C1(C)C(=C2C)C)C	0.911	0.351	0.466	0.518	0.433	0.04	0.885	0.931	0.678	1.0	0.765
Compound_162	O=C(O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)CCc1ccco1	0.84	0.987	0.364	0.717	0.423	0.829	0.971	0.975	0.29	0.997	0.442
Compound_163	CSc1ccc2c(c1)Nc1c(S2)cccc1	0.355	0.626	0.626	0.533	0.714	0.29	0.937	0.065	0.551	0.865	0.648
Compound_164	CCCC#CC	0.882	0.147	0.287	0.547	0.055	0.614	0.992	0.897	0.791	0.998	0.704
Compound_165	N#C/C=C/C#N	0.965	0.325	0.395	0.6	0.365	0.031	0.995	0.99	0.971	0.994	0.905
Compound_166	CCCOC=C	0.784	0.081	0.241	0.491	0.08	0.03	0.997	0.647	0.662	0.996	0.872
Compound_167	C=CCCCC=O	0.869	0.169	0.272	0.601	0.141	0.165	0.999	0.984	0.259	0.996	0.897
Compound_168	CCCC#CCO	0.849	0.126	0.251	0.509	0.042	0.751	0.943	0.234	0.487	0.932	0.634
Compound_169	O=C1C=CC(=O)N1c1ccc(cc1)S(=O)(=O)N=N#N	0.451	0.36	0.871	0.603	0.216	0.318	0.126	0.197	0.342	0.136	0.183
Compound_170	O=C(c1ccccc1)N1CC1	0.244	0.374	0.382	0.524	0.25	0.735	0.11	0.219	0.61	0.913	0.286
Compound_171	CCCCCCP(=O)(CCCCCC)O	0.679	0.144	0.025	0.317	0.821	0.459	0.984	0.07	0.901	0.946	0.664
Compound_172	CCN(CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)CC	0.66	0.99	0.009	0.638	0.397	0.799	0.014	0.015	0.258	0.178	0.076
Compound_173	CCN(CCC(=O)c1ccc(cc1)F)CC	0.323	0.278	0.095	0.082	0.009	0.1	0.003	0.245	0.192	0.158	0.104
Compound_174	C=COCCOC=C	0.674	0.143	0.269	0.462	0.166	0.104	0.984	0.718	0.765	0.99	0.9
Compound_175	CCN1C(=S)SCC1=O	0.122	0.394	0.223	0.624	0.021	0.279	0.363	0.132	0.423	0.996	0.5
Compound_176	CCCCCCCCCCC#C	0.996	0.125	0.309	0.5	0.157	0.266	0.996	0.989	0.925	1.0	0.721
Compound_177	CCCCCCCCCCCCC#C	0.996	0.125	0.309	0.5	0.157	0.266	0.996	0.989	0.925	1.0	0.721
Compound_178	CCCCCCCCCCCCCC#C	0.996	0.125	0.309	0.5	0.157	0.266	0.996	0.989	0.925	1.0	0.721
Compound_179	CCCCCCCCCCCCOC=C	0.948	0.033	0.147	0.545	0.187	0.094	0.997	0.971	0.861	1.0	0.896
Compound_180	CC(C1OCC(CO1)(C)C)C	0.767	0.11	0.247	0.523	0.049	0.07	0.984	0.788	0.56	0.951	0.363
Compound_181	CC1CN1C(=O)c1cccc(c1)C(=O)N1CC1C	0.185	0.427	0.368	0.535	0.683	0.738	0.008	0.182	0.533	0.527	0.418
Compound_182	C1OC1C=O	0.738	0.156	0.397	0.516	0.164	0.551	0.986	0.909	0.864	0.881	0.927
Compound_183	O=C1OC2(c3c1cccc3)c1cc(Cl)c(cc1Oc1c2cc(Cl)c(c1)O)O	0.545	0.374	0.885	0.627	0.873	0.756	0.985	0.321	0.458	0.976	0.98
Compound_184	CC1=C(C)CCC1	0.961	0.285	0.702	0.532	0.106	0.01	0.989	0.977	0.884	0.994	0.895
Compound_185	ClCc1cccs1	0.797	0.479	0.553	0.557	0.322	0.647	0.998	0.903	0.832	0.994	0.662
Compound_186	Cc1ccc(s1)Br	0.879	0.507	0.573	0.57	0.364	0.499	0.999	0.974	0.883	0.998	0.291
Compound_187	ClC12CCC(C2)CC1	0.987	0.391	0.238	0.587	0.327	0.608	0.99	0.832	0.722	0.999	0.5
Compound_188	NNC(=O)c1ccccc1C	0.505	0.227	0.95	0.387	0.045	0.666	0.841	0.076	0.535	0.045	0.127
Compound_189	OCCC1CCCC1	0.844	0.152	0.176	0.507	0.041	0.072	0.901	0.264	0.138	0.453	0.593
Compound_190	OOC1CCCCC1	0.912	0.188	0.165	0.504	0.083	0.1	0.977	0.885	0.458	0.832	0.319
Compound_191	Cc1cccc2c1cccn2	0.693	0.563	0.904	0.535	0.065	0.048	0.131	0.75	0.925	0.926	0.905
Compound_192	O=C1OC(c2c1cccc2)(c1cc(Br)c(c(c1)Br)O)c1cc(Br)c(c(c1)Br)O	0.951	0.56	0.86	0.597	0.701	0.697	0.996	0.32	0.423	0.99	0.984
Compound_193	O=c1n(C)c(nnc1C(C)(C)C)N(C)C	0.244	0.492	0.081	0.373	0.124	0.2	0.003	0.012	0.53	0.123	0.148
Compound_194	NCCCN1CCCC1=O	0.051	0.29	0.047	0.363	0.004	0.011	0.004	0.011	0.197	0.006	0.132
Compound_195	O=C1OC(=O)C(=C1C)C	0.77	0.331	0.531	0.543	0.072	0.01	0.975	0.963	0.913	0.923	0.87
Compound_196	CC(Cc1cc(N)c2c(c1O)C(=O)c1c(C2=O)c(N)cc(c1O)CC(C)C)C	0.63	0.746	0.874	0.656	0.848	0.939	0.904	0.914	0.871	0.224	0.649
Compound_197	CC(Oc1ccc(cc1)N)C	0.667	0.235	0.93	0.666	0.43	0.787	0.854	0.963	0.868	0.699	0.5
Compound_198	CCCCCCCCOC(=O)CS	0.876	0.051	0.06	0.709	0.225	0.332	0.998	0.465	0.83	0.983	0.872
Compound_199	CCCCC(=O)C1=C(C)CCCC1(C)C	0.991	0.201	0.61	0.615	0.146	0.1	0.823	0.948	0.54	1.0	0.919
Compound_200	COc1ccccc1Cl	0.893	0.172	0.863	0.688	0.288	0.108	0.883	0.153	0.773	0.99	0.752
Compound_201	Cn1c(Cl)cnc1c1ccccc1	0.575	0.647	0.92	0.751	0.392	0.751	0.057	0.967	0.951	0.447	0.186
Compound_202	CCC(c1ccccc1)(C(=O)OCC)C(=O)OCC	0.551	0.125	0.417	0.674	0.154	0.137	0.834	0.267	0.294	0.805	0.789
Compound_203	BrCc1cccc(c1)Cl	0.805	0.138	0.879	0.692	0.302	0.336	0.999	0.97	0.562	0.997	0.377
Compound_204	N#Cc1cccc(c1)Cl	0.963	0.196	0.757	0.68	0.575	0.104	0.998	0.748	0.656	0.988	0.73
Compound_205	COc1cccc(c1)I	0.911	0.125	0.843	0.708	0.121	0.106	0.98	0.071	0.379	0.967	0.5
Compound_206	ClSc1ccccc1N(=O)=O	0.964	0.164	0.895	0.671	0.591	0.24	0.999	0.998	0.65	0.999	0.736
Compound_207	C#Cc1ccc(cc1)C	0.822	0.226	0.798	0.509	0.051	0.346	0.997	0.761	0.811	0.998	0.256
Compound_208	N#Cc1ccc(cc1)O	0.933	0.166	0.625	0.678	0.657	0.253	0.858	0.647	0.875	0.65	0.762
Compound_209	CC(=O)CC1OCCO1	0.772	0.182	0.177	0.508	0.065	0.119	0.998	0.388	0.375	0.993	0.367
Compound_210	CCCCN1CCCC1	0.299	0.471	0.049	0.105	0.033	0.079	0.025	0.405	0.654	0.946	0.298
Compound_211	O=c1cc(N)[nH]c(n1)C	0.116	0.404	0.42	0.439	0.167	0.012	0.006	0.134	0.825	0.006	0.103
Compound_212	CCOC(=O)C1CCCCC1C(=O)O	0.434	0.12	0.106	0.288	0.154	0.045	0.78	0.462	0.631	0.523	0.198
Compound_213	Nc1cccc2c1nsn2	0.72	0.547	0.972	0.7	0.402	0.143	0.892	0.983	0.925	0.94	0.373
Compound_214	Brc1ncnc2c1[nH]cn2	0.428	0.597	0.947	0.398	0.43	0.694	0.007	0.729	0.717	0.746	0.233
Compound_215	Cc1n(C)c(c(c1C)C)C	0.402	0.295	0.245	0.446	0.05	0.527	0.197	0.167	0.933	0.725	0.436
Compound_216	O=C(C1CCC(=O)N1)OC(c1ccccc1)c1ccccc1	0.052	0.516	0.188	0.315	0.085	0.19	0.242	0.075	0.304	0.015	0.034
Compound_217	C=CC(=O)c1ccccc1	0.965	0.242	0.892	0.718	0.035	0.303	0.959	0.986	0.915	0.999	0.67
Compound_218	O=C(CC(C)(C)C)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C	0.977	1.0	0.072	0.987	0.602	0.937	0.078	0.051	0.339	0.219	0.102
Compound_219	CCCOC(=O)c1cccnc1	0.122	0.234	0.869	0.561	0.02	0.032	0.075	0.004	0.125	0.01	0.293
Compound_220	ClC(c1ccccc1)(c1ccccc1)c1ccccc1	0.908	0.573	0.763	0.676	0.897	0.951	0.999	0.964	0.686	0.999	0.969
Compound_221	Cc1ccc(cc1N1CC[NH2+]CC1)Cl	0.096	0.443	0.054	0.346	0.276	0.141	0.003	0.259	0.525	0.035	0.074
Compound_222	OC(c1ccccc1)(c1ccccc1)c1ccccc1	0.635	0.63	0.12	0.527	0.888	0.927	0.95	0.282	0.498	0.935	0.969
Compound_223	CC(=Cc1ccccc1)C	0.912	0.472	0.579	0.576	0.039	0.041	0.995	0.96	0.929	0.992	0.706
Compound_224	CC(=O)CC1=CCCCC1	0.979	0.224	0.756	0.6	0.079	0.024	0.94	0.854	0.597	1.0	0.725
Compound_225	CCC1OCC(CO1)(C)C	0.767	0.164	0.224	0.525	0.045	0.077	0.982	0.825	0.626	0.986	0.5
Compound_226	CCc1ccc(cc1)CO	0.402	0.097	0.514	0.512	0.062	0.155	0.829	0.67	0.585	0.465	0.353
Compound_227	C(CP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1	0.374	0.49	0.55	0.511	0.984	0.602	0.999	0.866	0.889	0.999	0.819
Compound_228	OC12CC3CC(C2)CC(C1)C3	0.917	0.464	0.143	0.483	0.55	0.352	0.664	0.328	0.314	0.973	0.62
Compound_229	N#CC(=Cc1ccc(cc1C)N(CCCCCCN(c1ccc(c(c1)C)C=C(C#N)C#N)C)C)C#N	0.607	0.6	0.285	0.579	0.779	0.566	0.552	0.985	0.738	0.032	0.605
Compound_230	O=N(=O)c1cccc(c1N)Cl	0.971	0.197	0.962	0.665	0.609	0.106	0.989	0.992	0.745	0.999	0.814
Compound_231	C=Cc1c(C)cc(cc1C)C	0.92	0.191	0.821	0.619	0.042	0.02	0.967	0.935	0.894	0.997	0.429
Compound_232	O=C1OCc2c(N1)c(Br)cc(c2)Br	0.674	0.436	0.836	0.632	0.592	0.652	0.496	0.977	0.437	0.69	0.329
Compound_233	Cc1cc(C)[nH]c(=O)c1C#N	0.427	0.436	0.206	0.494	0.618	0.085	0.685	0.032	0.634	0.042	0.747
Compound_234	O=C1CCC2=C1CCCCC2	0.989	0.63	0.587	0.508	0.211	0.061	0.981	0.96	0.483	1.0	0.757
Compound_235	Brc1ccc(c(c1)N(=O)=O)O	0.968	0.147	0.67	0.651	0.667	0.653	0.998	0.975	0.554	0.988	0.915
Compound_236	OC(=O)C(c1ccccc1)(c1ccccc1)O	0.074	0.581	0.085	0.252	0.217	0.152	0.962	0.057	0.23	0.23	0.842
Compound_237	CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC	0.869	0.011	0.221	0.719	0.148	0.181	0.985	0.738	0.183	0.943	0.921
Compound_238	CN1C(=O)CC(=O)N(C1=O)C	0.282	0.234	0.137	0.451	0.025	0.042	0.006	0.043	0.39	0.006	0.145
Compound_239	O=C1NC(=O)NC(=O)C1(C)c1ccccc1	0.193	0.409	0.458	0.269	0.051	0.09	0.003	0.053	0.091	0.001	0.19
Compound_240	OC(=O)c1ccc(c(c1)Br)C	0.669	0.062	0.095	0.364	0.552	0.749	0.975	0.233	0.465	0.91	0.263
Compound_241	[O-]C(=O)c1ccc(c(c1)C)Br	0.879	0.133	0.784	0.494	0.303	0.656	0.971	0.117	0.614	0.987	0.457
Compound_242	CC(c1ccc(cc1)N)(C)C	0.899	0.267	0.907	0.53	0.261	0.674	0.918	0.318	0.856	0.712	0.427
Compound_243	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.235	0.175	0.367	0.51	0.882	0.926	0.26	0.997	0.605	0.069	0.597
Compound_244	ClP(=O)(Oc1ccccc1)Cl	0.903	0.353	0.784	0.758	0.216	0.013	0.896	0.761	0.974	0.985	0.607
Compound_245	CC(COC(=O)[C@@H](O)C)C	0.559	0.052	0.02	0.598	0.039	0.039	0.869	0.13	0.365	0.053	0.382
Compound_246	CCC1(CC)C(=O)CCNC1=O	0.061	0.457	0.079	0.254	0.008	0.069	0.0	0.038	0.409	0.027	0.215
Compound_247	CC(Nc1ccc(cc1)Cl)C	0.698	0.218	0.908	0.475	0.248	0.314	0.084	0.585	0.135	0.918	0.209
Compound_248	O=C1c2ccccc2C(=O)c2c1c(N)c(Br)c1c2[nH]c2c(c1=O)cccc2	0.671	0.606	0.995	0.579	0.693	0.652	0.996	0.843	0.465	0.313	0.917
Compound_249	COc1cc(OC)ccc1C(=CC(=O)O)C	0.663	0.544	0.253	0.324	0.698	0.127	0.79	0.01	0.844	0.886	0.868
Compound_250	OCC12CC3CC(C2)CC(C1)C3	0.948	0.299	0.108	0.388	0.528	0.714	0.745	0.482	0.178	0.896	0.757
Compound_251	BrCCn1c(=O)[nH]c2c(c1=O)cccc2	0.484	0.396	0.958	0.55	0.218	0.363	0.045	0.833	0.645	0.037	0.338
Compound_252	CC(N(C(C)C)CCC(c1ccccc1)(c1ccccc1)C#N)C	0.297	0.575	0.048	0.122	0.434	0.352	0.072	0.069	0.511	0.013	0.548
Compound_253	Fc1[n-]c(=O)c(c(c1Cl)N)Cl	0.425	0.435	0.922	0.516	0.686	0.073	0.728	0.354	0.865	0.113	0.378
Compound_254	CCOC(=O)C1(CCCN(CC1)C)c1ccccc1	0.222	0.504	0.014	0.171	0.126	0.121	0.014	0.024	0.195	0.004	0.328
Compound_255	Cc1ccc(cc1C)Oc1ccc(c(c1)C)C	0.818	0.566	0.841	0.616	0.742	0.711	0.963	0.365	0.741	0.997	0.938
Compound_256	Nc1cc2ccccc2cc1N	0.959	0.846	0.99	0.658	0.391	0.084	0.988	0.979	0.946	0.999	0.996
Compound_257	N1CCC(CC1)c1ccccc1	0.036	0.205	0.048	0.269	0.005	0.042	0.0	0.017	0.312	0.026	0.01
Compound_258	C1COC(OC1)c1ccccc1	0.258	0.46	0.555	0.556	0.026	0.523	0.944	0.222	0.542	0.332	0.548
Compound_259	C=Cc1ccc2c(n1)cccc2	0.933	0.648	0.956	0.549	0.549	0.584	0.714	0.916	0.951	0.979	0.885
Compound_260	Nc1ncc[nH]1	0.429	0.24	0.222	0.431	0.327	0.759	0.0	0.014	0.838	0.75	0.458
Compound_261	CCOC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.938	0.838	0.997	0.793	0.967	0.802	0.994	0.953	0.415	0.949	0.946
Compound_262	SCC(=O)OCC(COC(=O)CS)(C)C	0.756	0.084	0.083	0.602	0.265	0.251	0.989	0.228	0.859	0.54	0.81
Compound_263	COc1cc(C=O)c(cc1OC)C	0.699	0.165	0.483	0.617	0.16	0.23	0.959	0.01	0.814	0.618	0.526
Compound_264	CCC1CN1C(=O)c1cc(cc(c1)C(=O)N1CC1CC)C(=O)N1CC1CC	0.308	0.572	0.206	0.506	0.683	0.738	0.181	0.083	0.678	0.295	0.38
Compound_265	BrCc1cc(ccc1O)N(=O)=O	0.865	0.208	0.908	0.764	0.639	0.647	0.992	0.998	0.565	0.734	0.886
Compound_266	Cc1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)[O-]	0.831	0.354	0.965	0.501	0.866	0.74	0.986	0.988	0.458	0.961	0.416
Compound_267	OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCC=C(C)C	0.386	0.571	0.312	0.528	0.071	0.198	0.014	0.963	0.511	0.648	0.573
Compound_268	CSCc1ncc(c(n1)OC(=O)N(C)C)OC	0.417	0.471	0.282	0.503	0.127	0.255	0.114	0.143	0.517	0.013	0.084
Compound_269	CCN(Cc1ccccc1)CC	0.084	0.363	0.123	0.071	0.006	0.299	0.005	0.035	0.601	0.923	0.043
Compound_270	CCC(C(=O)OCC)(C(=O)OCC)CC	0.815	0.005	0.231	0.572	0.177	0.082	0.953	0.434	0.339	0.918	0.935
Compound_271	CC(=O)c1sc(=S)[nH]c1C	0.324	0.467	0.192	0.375	0.063	0.166	0.469	0.01	0.649	0.799	0.884
Compound_272	CC(=O)OC1CCCCCCC1	0.937	0.133	0.072	0.498	0.138	0.045	0.997	0.561	0.581	0.995	0.443
Compound_273	CC(CCS(=O)CCC(C)C)C	0.617	0.142	0.78	0.468	0.136	0.019	0.858	0.063	0.28	0.999	0.548
Compound_274	CN(S(=O)(=O)Oc1ccc(cc1)N)C	0.367	0.467	0.842	0.673	0.316	0.546	0.027	0.826	0.386	0.012	0.524
Compound_275	COC(=O)C1CCC(=O)N1CN1C(=O)CCC1C(=O)OC	0.14	0.451	0.2	0.438	0.136	0.109	0.023	0.836	0.35	0.328	0.348
Compound_276	Oc1ccc(cc1)C(C(c1ccc(cc1)O)c1ccc(cc1)O)c1ccc(cc1)O	0.833	0.78	0.686	0.635	1.0	0.991	0.96	0.812	0.287	0.694	0.899
Compound_277	Clc1ccc(cc1)OP(=O)(Cl)Cl	0.854	0.394	0.823	0.746	0.301	0.055	0.42	0.738	0.676	0.986	0.573
Compound_278	CSC[C@@H](C(=O)O)N	0.018	0.07	0.019	0.204	0.096	0.005	0.001	0.007	0.058	0.002	0.064
Compound_279	CCC1(CC)C(=O)NC(=S)NC1=O	0.176	0.313	0.108	0.234	0.03	0.213	0.01	0.035	0.412	0.166	0.312
Compound_280	COc1cc(ccc1Br)N(=O)=O	0.963	0.279	0.928	0.699	0.596	0.652	0.998	0.921	0.688	0.996	0.919
Compound_281	OCCCCCCCCCCCCCCCCO	0.928	0.166	0.115	0.517	0.171	0.461	0.977	0.319	0.086	0.333	0.612
Compound_282	Cc1cc(C)cc(c1S(=O)(=O)Cl)C	0.682	0.508	0.963	0.672	0.229	0.164	0.975	0.884	0.71	0.995	0.467
Compound_283	CC(=O)NCC(=O)C	0.03	0.03	0.2	0.228	0.013	0.004	0.001	0.024	0.434	0.022	0.26
Compound_284	CCCC(C(=O)OCOC(=O)C(C)(C)C)CCC	0.89	0.002	0.063	0.497	0.058	0.033	0.986	0.942	0.358	0.785	0.853
Compound_285	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2C(=O)C[C@]2([C@H]1CCC2=O)C)C	0.974	1.0	0.465	0.879	0.93	0.939	0.016	0.615	0.232	0.997	0.327
Compound_286	OCCc1cccc2c1cccc2	0.183	0.453	0.975	0.559	0.097	0.263	0.983	0.659	0.424	0.726	0.78
Compound_287	BrCC(=O)OCCCOC(=O)CBr	0.813	0.051	0.204	0.708	0.585	0.161	0.854	0.974	0.735	0.991	0.977
Compound_288	Nc1nc(CCCCCCCCCCc2nc(N)nc(n2)N)nc(n1)N	0.642	0.533	0.693	0.488	0.22	0.625	0.039	0.132	0.85	0.339	0.39
Compound_289	Nc1ccc(c(c1)Br)C	0.863	0.176	0.828	0.544	0.135	0.653	0.997	0.881	0.775	0.985	0.165
Compound_290	O=N(=O)c1ccc(c(c1)I)C	0.959	0.109	0.486	0.662	0.312	0.083	1.0	0.446	0.524	0.999	0.814
Compound_291	O=N(=O)c1ccc(c(c1)Br)C	0.988	0.108	0.486	0.662	0.194	0.652	1.0	0.446	0.68	1.0	0.84
Compound_292	O=C(c1ccccc1)OC(C)(C)C	0.686	0.113	0.3	0.614	0.058	0.112	0.772	0.126	0.746	0.832	0.328
Compound_293	COC(=O)c1cc(N)c(cc1OC)NC(=O)C	0.199	0.41	0.879	0.485	0.286	0.222	0.247	0.006	0.511	0.145	0.257
Compound_294	OC(=O)c1cnc([nH]1)c1ccccc1	0.199	0.441	0.374	0.464	0.298	0.695	0.002	0.093	0.613	0.001	0.493
Compound_295	O=C1CC[NH+](C1)Cc1ccccc1	0.066	0.25	0.371	0.425	0.004	0.018	0.009	0.064	0.283	0.066	0.044
Compound_296	CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC=C1[C@H]2CCC2=CC(=O)CC[C@]12C	0.909	1.0	0.034	0.827	0.683	0.847	0.078	0.165	0.058	0.099	0.063
Compound_297	O1C(OC(OC1Cc1ccccc1)Cc1ccccc1)Cc1ccccc1	0.39	0.532	0.922	0.668	0.599	0.929	0.991	0.906	0.628	0.288	0.52
Compound_298	O=CN1CC[NH2+]CC1	0.023	0.12	0.687	0.371	0.004	0.025	0.0	0.228	0.291	0.014	0.08
Compound_299	OCCOCCOCCOCCOCCOCCOC(=O)C=C	0.953	0.284	0.125	0.69	0.924	0.966	0.807	0.97	0.632	0.941	0.669
Compound_300	N#CC1(CCCC1)c1ccccc1	0.942	0.318	0.531	0.65	0.531	0.218	0.818	0.778	0.691	0.665	0.849
Compound_301	CC(=O)Oc1ccc(cc1)N=C1C=CC(=O)C=C1	0.229	0.646	0.931	0.792	0.904	0.852	0.393	0.659	0.937	0.8	0.428
Compound_302	ClN1C(=O)N(C2C1N(Cl)C(=O)N2Cl)Cl	0.112	0.391	0.53	0.639	0.202	0.355	0.001	0.999	0.596	0.764	0.625
Compound_303	O=C([C@@H](NC(=O)OCc1ccccc1)CCC(=O)N)Oc1ccc(cc1)N(=O)=O	0.426	0.681	0.335	0.316	0.773	0.781	0.064	0.464	0.309	0.125	0.203
Compound_304	O=N(=O)c1ccc(c2c1cccc2)N	0.993	0.655	0.994	0.568	0.18	0.903	0.987	1.0	0.795	0.999	0.895
Compound_305	c1ccc2c(c1)c1ccccc1CC2	0.747	0.647	0.926	0.755	0.374	0.482	0.997	0.971	0.632	0.999	0.914
Compound_306	CCCC(C(=O)OCC(COC(=O)C(CCC)CCC)O)CCC	0.843	0.027	0.032	0.642	0.113	0.141	0.84	0.177	0.42	0.889	0.631
Compound_307	COc1ccc(cc1)NC(=O)C=C	0.381	0.449	0.982	0.724	0.303	0.631	0.098	0.985	0.772	0.783	0.233
Compound_308	C=CC(=O)Nc1ccc(cc1)N(=O)=O	0.903	0.28	0.983	0.698	0.105	0.829	0.882	0.995	0.133	0.995	0.317
Compound_309	CC(CCCOC(=O)C(=C)C)C	0.965	0.001	0.504	0.677	0.398	0.03	0.985	0.932	0.623	0.966	0.926
Compound_310	O=C(c1ccccc1)N1CCCCC1	0.256	0.264	0.382	0.531	0.0	0.481	0.013	0.186	0.625	0.754	0.036
Compound_311	COc1cc2oc(=O)ccc2cc1O	0.872	0.554	0.788	0.543	0.84	0.039	0.129	0.369	0.872	0.11	0.535
Compound_312	CC1(C)COC(OC1)c1ccccc1	0.362	0.446	0.758	0.565	0.039	0.553	0.971	0.389	0.511	0.435	0.415
Compound_313	OCc1cc(Cl)cc(c1O)N(=O)=O	0.433	0.305	0.569	0.66	0.69	0.532	0.395	0.946	0.612	0.325	0.856
Compound_314	CC=CC=CCN1CC(O)C(C(C1CO)O)O	0.302	0.269	0.164	0.171	0.074	0.056	0.002	0.47	0.18	0.061	0.011
Compound_315	CC/C(=C(\c1ccc(cc1)OC)/CC)/c1ccc(cc1)OC	0.683	0.774	0.425	0.663	0.683	0.962	0.936	0.12	0.85	0.997	0.997
Compound_316	OCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1	0.395	0.328	0.043	0.397	0.312	0.261	0.173	0.04	0.224	0.05	0.646
Compound_317	O=N(=O)c1ccc(cc1)OP(=O)(Cl)Cl	0.972	0.532	0.88	0.779	0.879	0.083	0.981	0.982	0.188	0.818	0.705
Compound_318	C=COC(=O)OCCOCCOC(=O)OC=C	0.889	0.137	0.366	0.546	0.37	0.302	0.981	0.843	0.81	1.0	0.513
Compound_319	O=C1CCC(N1)C(=O)Oc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O	0.231	0.333	0.245	0.385	0.613	0.713	0.003	0.955	0.399	0.231	0.167
Compound_320	CCOC(=O)c1cccc(c1)O	0.608	0.148	0.976	0.718	0.516	0.227	0.822	0.321	0.118	0.031	0.128
Compound_321	CCCCOS(=O)(=O)c1ccc(cc1)C	0.67	0.335	0.464	0.61	0.634	0.113	0.99	0.412	0.352	0.636	0.162
Compound_322	C=CCOCCOC(=O)C=C	0.982	0.196	0.472	0.707	0.87	0.748	1.0	0.998	0.745	0.995	0.878
Compound_323	CCC(CO)(CO)C	0.701	0.053	0.103	0.5	0.04	0.031	0.889	0.422	0.25	0.317	0.5
Compound_324	O=Cc1c(OCCCCC(=O)O)cccc1O	0.326	0.283	0.139	0.489	0.583	0.206	0.371	0.238	0.235	0.025	0.147
Compound_325	CCOC(=O)Cc1c[nH]c2c1cccc2	0.251	0.457	0.972	0.571	0.189	0.632	0.095	0.643	0.337	0.158	0.834
Compound_326	ClCCCCCCNC(=O)P(=O)(OCC)OCC	0.3	0.176	0.237	0.398	0.373	0.197	0.004	0.908	0.242	0.156	0.256
Compound_327	N#CC(OC(=O)C)(C#N)C	0.784	0.183	0.032	0.579	0.139	0.018	0.339	0.982	0.723	0.046	0.729
Compound_328	CCOc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)NC1CCCCC1	0.457	0.662	0.939	0.604	0.92	0.666	0.515	0.989	0.264	0.72	0.9
Compound_329	CNC1=CC(=O)c2c(OC1)cccc2	0.217	0.646	0.84	0.523	0.196	0.183	0.11	0.883	0.666	0.659	0.587
Compound_330	CCOC(=O)CC(C=C)(C)C	0.776	0.017	0.689	0.733	0.5	0.046	0.988	1.0	0.304	0.998	0.872
Compound_331	On1c(=O)c2cccc3c2c(c1=O)ccc3	0.46	0.739	0.68	0.566	0.328	0.874	0.898	0.328	0.53	0.307	0.801
Compound_332	O=Cc1cccc2c1OCO2	0.517	0.33	0.873	0.534	0.081	0.382	0.844	0.323	0.654	0.897	0.829
Compound_333	CC(=O)c1cc(cc(c1)C(=O)C)C(=O)C	0.919	0.149	0.738	0.54	-0.0	0.03	0.768	0.394	0.878	0.838	0.708
Compound_334	O=c1[nH]c2c(o1)nc(nc2)Nc1ccc(cc1)S(=O)(=O)N	0.211	0.302	0.001	0.16	0.125	0.401	0.002	0.003	0.14	0.025	0.401
Compound_335	COC(COCC(OC)OC)OC	0.793	0.032	0.14	0.439	0.069	0.098	0.907	0.205	0.732	0.889	0.775
Compound_336	O=N(=O)c1c(N(=O)=O)c(Cl)c(c(c1Cl)Cl)Cl	0.97	0.325	0.883	0.582	0.313	0.493	0.989	0.995	0.925	1.0	0.93
Compound_337	CC(=O)C(c1ccccc1)c1ccccc1	0.684	0.65	0.865	0.478	0.081	0.145	0.691	0.09	0.383	0.992	0.903
Compound_338	CCSc1nc(=O)n(c(=O)n1N)CC(C)(C)C	0.167	0.443	0.187	0.448	0.152	0.315	0.004	0.146	0.365	0.047	0.313
Compound_339	CC(=O)c1ccc2c(c1)Cc1c2cccc1	0.885	0.803	0.929	0.8	0.108	0.814	0.415	0.977	0.644	0.994	0.963
Compound_340	O=C1c2ccccc2c2n1c1cccc3c1c(n2)c(cc3)S(=O)(=O)Nc1ccccc1	0.61	0.356	0.936	0.441	0.688	0.723	0.322	0.766	0.444	0.02	0.127
Compound_341	O=C1c2ccccc2c2n1c1cccc3c1c(n2)ccc3S(=O)(=O)Nc1ccccc1	0.595	0.356	0.937	0.453	0.51	0.685	0.322	0.685	0.375	0.02	0.127
Compound_342	ClC(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.867	0.482	0.687	0.634	0.852	0.917	0.975	0.952	0.647	0.998	0.737
Compound_343	Cc1ccc2c(c1)cc1c(c2)ccc(c1)C	0.954	0.549	0.958	0.643	0.614	0.678	0.997	0.986	0.951	0.998	0.918
Compound_344	O=C(Nc1cccc(c1C)NC(=O)OCCOC(=O)C(=C)C)OC1CCC(CC1)C(C1CCC(CC1)OC(=O)Nc1cccc(c1C)NC(=O)OCCOC(=O)C(=C)C)(C)C	0.904	0.747	0.145	0.623	0.959	0.953	0.978	0.925	0.526	0.406	0.753
Compound_345	O=C1C=C/C(=N\Nc2ccc(cc2)Nc2ccc(cc2S(=O)(=O)O)N(=O)=O)/C(=O)C1=NNc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.634	0.419	0.757	0.457	0.748	0.663	0.035	0.795	0.435	0.179	0.371
Compound_346	OC(=O)CN(CC(=O)Nc1c(C)cc(c(c1C)Br)C)CC(=O)O	0.144	0.384	0.062	0.142	0.35	0.653	0.005	0.021	0.459	0.088	0.069
Compound_347	Clc1ccccc1NNc1ccccc1Cl	0.679	0.794	0.701	0.594	0.506	0.757	0.999	0.846	0.647	0.988	0.527
Compound_348	CCC(OC(=O)N)(CC)C	0.358	0.091	0.007	0.269	0.036	0.027	0.012	0.011	0.128	0.021	0.193
Compound_349	Nc1cc2c(cc1)sc1=NCCn21	0.214	0.445	0.811	0.625	0.46	0.599	0.012	0.753	0.504	0.328	0.169
Compound_350	O=C1c2cc3n[nH]nc3cc2C(=O)c2c1cccc2	0.699	0.734	0.8	0.505	0.684	0.646	0.996	0.616	0.778	0.275	0.919
Compound_351	Nc1nc(NCCNc2nc(N)nc(n2)N)nc(n1)NCCNc1nc(N)nc(n1)N	0.343	0.58	0.638	0.36	0.379	0.51	0.005	0.117	0.635	0.036	0.684
Compound_352	CCN(CCOc1ccc(cc1)C(c1ccc(cc1)C)(Cc1ccc(cc1)Cl)O)CC	0.058	0.593	0.81	0.304	0.985	0.973	0.017	0.875	0.081	0.036	0.5
Compound_353	OC(=O)c1ccc2c(c1)C(=O)c1c2cccc1	0.553	0.684	0.801	0.45	0.04	0.357	0.906	0.916	0.552	0.223	0.769
Compound_354	CCCCP(=O)(OCCCC)OCCCC	0.447	0.04	0.254	0.605	0.468	0.358	0.999	0.852	0.723	0.997	0.681
Compound_355	N#Cc1cc(Cl)c(c(c1)Cl)N	0.931	0.264	0.91	0.62	0.663	0.27	0.998	0.618	0.912	0.992	0.852
Compound_356	COc1ccc2c3c1cccc3c(=O)n(c2=O)CC(CN(C)C)(C)C	0.615	0.834	0.016	0.13	0.157	0.896	0.409	0.051	0.572	0.182	0.237
Compound_357	O=c1sc(=S)[nH]c(=O)[nH]1	0.447	0.257	0.184	0.423	0.388	0.262	0.063	0.021	0.818	0.575	0.616
Compound_358	Cc1cc(O)c(cc1Cc1cc(c(cc1C)O)S(=O)(=O)O)S(=O)(=O)O	0.562	0.585	0.724	0.298	0.646	0.593	0.421	0.293	0.331	0.793	0.126
Compound_359	CCOC(=O)C(=O)Cc1ccccc1N(=O)=O	0.646	0.34	0.785	0.653	0.024	0.181	0.999	0.851	0.306	0.956	0.767
Compound_360	OC(=O)CCC(=O)c1ccc2c(c1)CCCC2	0.621	0.305	0.335	0.174	0.234	0.474	0.55	0.209	0.535	0.189	0.106
Compound_361	Nc1ccc(cc1)NC(=O)c1ccc(cc1)N	0.924	0.722	0.97	0.766	0.112	0.968	0.974	0.042	0.918	0.875	0.943
Compound_362	Nc1nc(NC2CCCCC2)nc(n1)Cl	0.229	0.419	0.563	0.462	0.068	0.533	0.0	0.096	0.68	0.316	0.05
Compound_363	CC(=O)c1ccc(cc1)CCc1ccccc1	0.673	0.635	0.676	0.533	0.184	0.835	0.812	0.77	0.392	0.979	0.745
Compound_364	O=CNc1ccc(cc1)S(=O)(=O)Nc1nccs1	0.07	0.207	0.12	0.353	0.153	0.593	0.002	0.043	0.103	0.005	0.077
Compound_365	ClCC(=O)N1c2ccccc2Sc2c1cccc2	0.554	0.448	0.868	0.673	0.985	0.24	0.99	0.927	0.446	0.598	0.901
Compound_366	OC(=O)/C=C/c1ccc(cc1)Cn1ccnc1	0.735	0.444	0.449	0.249	0.277	0.859	0.009	0.056	0.694	0.01	0.233
Compound_367	ClCC1(CCl)COC1	0.891	0.192	0.314	0.606	0.356	0.361	0.995	0.968	0.807	0.998	0.911
Compound_368	BrCC(Br)Br	0.904	0.088	0.433	0.593	0.107	0.074	0.888	0.983	0.757	0.999	0.933
Compound_369	OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)O	0.715	0.472	0.602	0.51	0.316	0.652	0.973	0.847	0.437	0.037	0.705
Compound_370	O=C(c1ccccc1)NNC(=O)c1ccccc1	0.625	0.729	0.711	0.405	0.102	0.902	0.908	0.073	0.777	0.884	0.32
Compound_371	O=C1C=C[C@]2(C(=C1)CCC1[C@@H]2C(O)C[C@]2([C@H]1C[C@@H]1[C@]2(OC(O1)(C)C)C(=O)COC(=O)C(C)(C)C)C)C	0.943	1.0	0.051	0.976	0.896	0.917	0.763	0.797	0.37	0.444	0.271
Compound_372	CC(=C)C#C	0.945	0.33	0.53	0.482	0.064	0.047	0.974	0.977	0.819	1.0	0.825
Compound_373	CC(C#N)C	0.889	0.177	0.217	0.493	0.091	0.016	0.9	0.7	0.711	0.969	0.875
Compound_374	ClCCCCCC(=O)C(=O)OCC	0.865	0.062	0.483	0.754	0.073	0.155	0.999	0.989	0.031	0.999	0.959
Compound_375	OCC(C(C(C(C(=O)NCCCCCCNC(=O)C(C(C(C(CO)O)O)O)O)O)O)O)O	0.018	0.083	0.007	0.29	0.046	0.198	0.002	0.006	0.371	0.026	0.097
Compound_376	NNS(=O)(=O)c1ccc(c(c1)C)Oc1ccc(cc1C)S(=O)(=O)NN	0.207	0.33	0.368	0.267	0.233	0.702	0.095	0.083	0.356	0.017	0.432
Compound_377	N#CN1c2ccccc2C=C(c2c1cccc2)N(=O)=O	0.615	0.602	0.799	0.569	0.587	0.786	0.994	0.845	0.919	0.995	0.907
Compound_378	N#CN1c2ccccc2CC(=O)c2c1cccc2	0.271	0.519	0.848	0.537	0.73	0.119	0.98	0.758	0.569	0.944	0.913
Compound_379	Clc1c2=Nc3ccc(c(c3Oc2c(c2=Nc3c(Oc12)c(c(cc3)Nc1cc(c(cc1S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)Cl)S(=O)(=O)O)Nc1cc(c(cc1S(=O)(=O)O)N)S(=O)(=O)O	0.533	0.416	0.969	0.519	0.711	0.652	0.592	0.297	0.469	0.743	0.5
Compound_380	CC1OCCOCCOCCOCCOC(CNC1)C	0.024	0.248	0.021	0.323	0.058	0.007	0.004	0.01	0.216	0.677	0.173
Compound_381	CC1CNCC(C)OCCOCCOCCO1	0.024	0.248	0.021	0.323	0.058	0.007	0.004	0.01	0.215	0.677	0.173
Compound_382	S=c1sc(=S)[nH]c(=O)[nH]1	0.471	0.269	0.184	0.423	0.348	0.251	0.061	0.021	0.95	0.731	0.415
Compound_383	O=c1nc(Sc2ccccc2)sc(=S)[nH]1	0.316	0.437	0.333	0.445	0.432	0.709	0.711	0.33	0.796	0.397	0.361
Compound_384	COc1nc(=O)[nH]c(=S)s1	0.53	0.247	0.346	0.332	0.17	0.338	0.13	0.027	0.942	0.248	0.334
Compound_385	O=C=NCCCCCCCCCCCN=C=O	0.947	0.127	0.504	0.507	0.105	0.531	0.341	0.92	0.804	0.961	0.78
Compound_386	O=C(c1ccc(cc1)Cl)OC(=O)c1ccc(cc1)Cl	0.795	0.437	0.943	0.637	0.749	0.885	0.983	0.065	0.56	0.411	0.889
Compound_387	CCC(=O)N	0.127	0.017	0.009	0.217	0.008	0.004	0.522	0.017	0.141	0.178	0.191
Compound_388	OCCNC(=O)c1cc2ccc(cc2oc1=O)O	0.35	0.693	0.802	0.427	0.109	0.41	0.027	0.254	0.42	0.639	0.2
Compound_389	O=C(NC1CCC(CC1)CC1CCC(CC1)NC(=O)OOC(C)(C)C)OOC(C)(C)C	0.159	0.513	0.112	0.374	0.173	0.456	0.058	0.402	0.573	0.308	0.294
Compound_390	O=Cc1cccc(c1)Oc1ccc(c(c1)Cl)Cl	0.854	0.659	0.771	0.664	0.812	0.855	0.945	0.952	0.537	0.994	0.994
Compound_391	COc1cc(NC(=O)c2ccccc2)c2c(c1NC(=O)c1ccccc1)C(=O)c1c(C2=O)cccc1	0.715	0.815	0.932	0.725	0.865	0.553	0.986	0.502	0.511	0.766	0.897
Compound_392	OCC1OC(Oc2ccc3c(c2)oc(=O)c(c3)C(=O)NCCCCC2(C(=O)NCNC2=O)c2ccccc2)C(C(C1O)O)O	0.537	0.739	0.401	0.43	0.372	0.774	0.137	0.435	0.403	0.105	0.447
Compound_393	OCC1OC(Oc2ccc3c(c2)oc(=O)c(c3)C(=O)NCCCCC2(C(=O)NC(=O)NC2=O)c2ccccc2)C(C(C1O)O)O	0.543	0.662	0.401	0.419	0.565	0.69	0.085	0.295	0.378	0.09	0.335
Compound_394	CC(CC(=O)OC1CCCC(C1)C)C	0.825	0.195	0.28	0.436	0.113	0.015	0.933	0.533	0.458	0.993	0.168
Compound_395	OCCN(C(=O)c1c(I)c(C(=O)N(CCO)CCO)c(c(c1I)C(=O)N(CCO)CCO)I)CCO	0.053	0.367	0.138	0.565	0.064	0.369	0.276	0.08	0.34	0.039	0.335
Compound_396	ClC(=O)c1c(I)c(C(=O)Cl)c(c(c1I)C(=O)Cl)I	0.788	0.173	0.601	0.651	0.427	0.399	0.998	0.997	0.511	0.978	0.705
Compound_397	OC(=O)c1c(I)c(C(=O)O)c(c(c1I)C(=O)O)I	0.528	0.129	0.339	0.364	0.378	0.182	0.574	0.667	0.463	0.345	0.371
Compound_398	COC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)OC	0.888	0.541	0.944	0.76	0.185	0.588	0.998	0.24	0.61	0.099	0.701
Compound_399	BrC(C(Br)Br)Br	0.904	0.096	0.433	0.578	0.108	0.418	0.888	0.984	0.896	1.0	0.91
Compound_400	BrC(=C(Br)Br)Br	0.934	0.421	0.433	0.535	0.25	0.393	0.906	0.991	0.946	1.0	0.91
Compound_401	COC(=O)CCN(Cc1ccccc1)CCC(=O)OC	0.038	0.386	0.103	0.083	0.011	0.057	0.006	0.121	0.3	0.059	0.211
Compound_402	NC(=S)C(=S)N	0.334	0.093	0.276	0.363	0.104	0.025	0.129	0.825	0.951	0.998	0.847
Compound_403	NCCCCNC1CCCCC1	0.082	0.15	0.011	0.253	0.029	0.099	0.0	0.011	0.293	0.033	0.071
Compound_404	COc1cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@H](C2)O)ccc1OC	0.144	0.428	0.024	0.164	0.206	0.132	0.007	0.031	0.208	0.17	0.128
Compound_405	Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2	0.434	0.258	0.649	0.297	0.359	0.098	0.1	0.874	0.445	0.897	0.178
Compound_406	Cc1nc2scc(n2c(=O)c1CCN1CCC(CC1)c1c[nH]c2c1cccc2)C	0.383	0.529	0.081	0.148	0.472	0.694	0.042	0.453	0.368	0.022	0.169
Compound_407	COc1ccc(cc1)C(=O)OC(=O)c1ccc(cc1)OC	0.74	0.746	0.97	0.708	0.819	0.873	0.995	0.006	0.915	0.019	0.655
Compound_408	CCOC(=O)CCN(Cc1ccccc1)CC(=O)OCC	0.03	0.364	0.227	0.204	0.062	0.022	0.558	0.126	0.186	0.535	0.192
Compound_409	OC(=O)C(CCCOc1ccc(c(c1)c1ccccc1)OCCCC(C(=O)O)(C)C)(C)C	0.365	0.591	0.63	0.431	0.913	0.656	0.862	0.868	0.189	0.594	0.469
Compound_410	Oc1ccc(cc1)P(=O)(c1ccc(cc1)O)c1ccccc1	0.563	0.666	0.639	0.609	0.981	0.163	0.997	0.308	0.955	0.752	0.734
Compound_411	OCc1ccc(c(c1)N(=O)=O)N(=O)=O	0.696	0.24	0.692	0.586	0.449	0.05	0.96	0.767	0.691	0.271	0.863
Compound_412	CN=C1CCC(c2c1cccc2)c1ccc(c(c1)Cl)Cl	0.623	0.479	0.917	0.504	0.557	0.743	0.981	0.932	0.56	0.318	0.798
Compound_413	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H](C2=CC(=O)CC[C@]12C)C	0.985	1.0	0.012	0.762	0.931	0.986	0.102	0.893	0.549	0.996	0.113
Compound_414	Cc1ccc(cc1Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	0.522	0.756	0.964	0.691	0.965	0.779	0.996	0.977	0.711	0.666	0.976
Compound_415	Cc1ccc(c(c1)N)S(=O)(=O)N(C)C	0.186	0.337	0.815	0.427	0.422	0.137	0.074	0.095	0.314	0.388	0.363
Compound_416	CCN(CCOc1ccc(cc1)C(=O)c1ccccc1)CC	0.229	0.549	0.147	0.507	0.479	0.932	0.009	0.173	0.21	0.048	0.11
Compound_417	Nc1ccc(c(c1)S(=O)(=O)Nc1ccccc1)C	0.194	0.243	0.561	0.432	0.282	0.729	0.837	0.048	0.428	0.068	0.191
Compound_418	OCCOc1ccc(cc1)/C=C/c1nc(nc(n1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl	0.59	0.539	0.797	0.668	0.766	0.727	0.235	0.761	0.183	0.173	0.738
Compound_419	O=C(c1cccnc1)Oc1ccc(cc1C(C)(C)C)C1CCCCC1	0.563	0.58	0.376	0.452	0.489	0.644	0.084	0.224	0.264	0.898	0.253
Compound_420	O=N(=O)c1ccc(c(c1)S(=O)(=O)Nc1ccccc1)C	0.449	0.345	0.885	0.493	0.281	0.65	0.694	0.892	0.474	0.802	0.505
Compound_421	OCN(C(P(=O)(O)O)(P(=O)(O)O)C)CO	0.151	0.146	0.01	0.132	0.112	0.149	0.021	0.005	0.316	0.017	0.211
Compound_422	CC(C(O)(C)C)(c1ccc(cc1)Cl)O	0.107	0.194	0.74	0.66	0.589	0.221	0.739	0.142	0.329	0.22	0.652
Compound_423	c1ccc(cc1)CN1CCN(CC1)c1coc2c1cccc2	0.061	0.688	0.9	0.187	0.316	0.499	0.065	0.102	0.341	0.312	0.315
Compound_424	Oc1ccc(cc1Cl)C(c1ccc(c(c1)Cl)O)(C)C	0.956	0.517	0.684	0.675	0.968	0.854	0.955	0.987	0.664	0.99	0.99
Compound_425	CC(=O)Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O	0.443	0.462	0.9	0.508	0.763	0.6	0.336	0.667	0.438	0.8	0.61
Compound_426	C[C@H]1[C@H](N)C(=O)N1S(=O)(=O)O	0.04	0.364	0.01	0.196	0.11	0.312	0.001	0.022	0.267	0.005	0.455
Compound_427	COS(=O)(=O)c1ccccc1	0.876	0.303	0.743	0.58	0.14	0.156	0.996	0.352	0.41	0.922	0.085
Compound_428	CC(NS(=O)(=O)c1ccc(c(c1)N)O)C	0.168	0.319	0.071	0.181	0.271	0.533	0.0	0.03	0.073	0.004	0.221
Compound_429	Nc1cccc(c1)S(=O)(=O)Nc1ccccc1	0.171	0.116	0.2	0.295	0.227	0.7	0.237	0.023	0.225	0.029	0.15
Compound_430	CNS(=O)(=O)c1ccc(c(c1)N)O	0.289	0.229	0.021	0.191	0.246	0.518	0.003	0.032	0.125	0.006	0.227
Compound_431	c1ccc2c(c1)cc(cc2)c1nnc(o1)c1ccc2c(c1)cccc2	0.386	0.701	0.954	0.833	0.665	0.662	0.995	0.959	0.706	0.744	0.853
Compound_432	ClCCCC(=O)c1ccc(cc1OC)OC	0.698	0.235	0.592	0.731	0.81	0.755	0.425	0.289	0.137	0.212	0.742
Compound_433	Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1C	0.194	0.313	0.111	0.277	0.412	0.298	0.816	0.429	0.367	0.598	0.278
Compound_434	OS(=O)(=O)c1cc(NN=C2C(=O)c3cc(NN=C4C=CC(=O)C(=NNc5ccc(cc5)N(=O)=O)C4=O)ccc3C=C2S(=O)(=O)O)c(c(c1)N(=O)=O)O	0.648	0.51	0.779	0.478	0.743	0.656	0.925	0.795	0.409	0.28	0.469
Compound_435	Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1	0.311	0.239	0.126	0.121	0.162	0.205	0.026	0.036	0.557	0.171	0.096
Compound_436	O=N(=O)c1cccc(c1)NS(=O)(=O)c1ccccc1	0.364	0.313	0.462	0.375	0.192	0.726	0.114	0.897	0.42	0.688	0.485
Compound_437	NC(=NN=C(/C=C/c1ccc(o1)N(=O)=O)/C=C/c1ccc(o1)N(=O)=O)N	0.183	0.714	0.861	0.473	0.721	0.605	0.144	0.646	0.787	0.963	0.872
Compound_438	CC(C1(CCc2ccc(cc2)Cl)OC1)(C)C	0.878	0.298	0.104	0.622	0.823	0.666	0.878	0.388	0.588	0.973	0.853
Compound_439	CCOC(=O)C(O)(C)C	0.427	0.039	0.238	0.604	0.057	0.055	0.836	0.04	0.178	0.05	0.578
Compound_440	OC(=O)CCNC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O	0.246	0.652	0.408	0.269	0.535	0.659	0.221	0.19	0.478	0.022	0.053
Compound_441	CCC(=O)c1ccc2c(c1)N(C(=O)C)c1c(S2)cccc1	0.309	0.554	0.764	0.533	0.858	0.385	0.73	0.714	0.341	0.112	0.508
Compound_442	COC(=O)C(=C)Cl	0.983	0.169	0.318	0.678	0.315	0.029	1.0	1.0	0.987	0.997	0.933
Compound_443	OC(C(=O)O)C(=O)O	0.405	0.112	0.026	0.168	0.085	0.13	0.034	0.708	0.117	0.028	0.5
Compound_444	CC(OC(C)(C)C)COC(C)(C)C	0.76	0.039	0.055	0.534	0.121	0.079	0.93	0.566	0.768	0.767	0.805
Compound_445	CNC1CCCCCCCCC1	0.312	0.1	0.054	0.302	0.222	0.46	0.001	0.045	0.657	0.249	0.416
Compound_446	OC(=O)C1(CCCC1)c1ccc(cc1)Cl	0.128	0.208	0.506	0.325	0.62	0.37	0.946	0.059	0.039	0.07	0.204
Compound_447	Nc1ccc2c(c1)c(=O)cc([nH]2)c1ccccc1	0.505	0.712	0.988	0.712	0.578	0.227	0.988	0.721	0.871	0.436	0.935
Compound_448	Nc1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccccc1	0.095	0.193	0.02	0.105	0.299	0.436	0.134	0.004	0.235	0.025	0.175
Compound_449	CCc1ccc2c(c1)C(C)(C)CCC2(C)C	0.791	0.405	0.345	0.59	0.285	0.28	0.752	0.797	0.99	0.997	0.683
Compound_450	COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4CC[C@@H]1OC(=O)c1cccnc1)C	0.694	0.817	0.045	0.166	0.24	0.663	0.74	0.04	0.092	0.016	0.821
Compound_451	OCc1ccc(c(c1)C)N(=O)=O	0.6	0.164	0.813	0.52	0.204	0.295	0.987	0.707	0.61	0.087	0.79
Compound_452	OCc1cccc(c1N(=O)=O)C	0.772	0.14	0.407	0.535	0.138	0.212	0.946	0.588	0.436	0.078	0.828
Compound_453	OCc1cc(ccc1Cl)N(=O)=O	0.807	0.151	0.816	0.687	0.472	0.278	0.981	0.728	0.586	0.363	0.852
Compound_454	OCC1(CC1)c1ccc(cc1)Cl	0.234	0.295	0.627	0.665	0.527	0.554	0.96	0.086	0.251	0.533	0.688
Compound_455	O=C1C=C(OC(C1)(C)C)C(=O)[O-]	0.83	0.341	0.014	0.339	0.205	0.161	0.976	0.879	0.559	0.285	0.442
Compound_456	c1ccc(cn1)Cn1cccc1	0.526	0.43	0.562	0.565	0.017	0.584	0.005	0.02	0.736	0.467	0.235
Compound_457	OC(=O)[C@@H]1C[C@H]2[C@@H](N1)CCCC2	0.059	0.262	0.027	0.162	0.04	0.009	0.01	0.071	0.2	0.055	0.033
Compound_458	O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](O)C)C)C	0.928	0.97	0.029	0.537	0.875	0.915	0.034	0.602	0.193	0.996	0.632
Compound_459	CCCc1cc(ccn1)C(=O)N	0.065	0.176	0.064	0.258	0.012	0.195	0.0	0.025	0.423	0.004	0.068
Compound_460	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.747	0.29	0.983	0.427	0.718	0.668	0.195	0.978	0.492	0.178	0.339
Compound_461	CCCCCCC(=O)C#N	0.981	0.085	0.201	0.484	0.196	0.079	0.984	0.906	0.596	0.997	0.928
Compound_462	O=C(ON1C(=O)CCC1=O)COc1ccc2c(c1)cccc2	0.173	0.561	0.911	0.644	0.407	0.544	0.981	0.953	0.428	0.612	0.734
Compound_463	CC(=O)NC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.357	0.625	0.255	0.47	0.55	0.93	0.966	0.525	0.222	0.955	0.828
Compound_464	CN(c1c(C)n(n(c1=O)c1ccccc1)C)CN(c1c(C)n(n(c1=O)c1ccccc1)C)C	0.126	0.575	0.055	0.257	0.475	0.709	0.18	0.018	0.566	0.588	0.183
Compound_465	CN(Cc1cc2c(C)cc(=O)oc2cc1O)CC(=O)O	0.659	0.538	0.273	0.415	0.223	0.271	0.167	0.817	0.278	0.126	0.034
Compound_466	COc1ccc(c(c1C)C)N(=O)=O	0.874	0.292	0.849	0.645	0.587	0.661	0.966	0.391	0.647	0.975	0.941
Compound_467	Nc1ccc2c(c1)cccc2S(=O)(=O)O	0.775	0.268	0.978	0.531	0.584	0.647	0.938	0.874	0.467	0.14	0.561
Compound_468	O=C1OS(=O)(=O)c2c1cccc2	0.492	0.393	0.748	0.629	0.153	0.274	0.674	0.023	0.362	0.249	0.216
Compound_469	CCN(S(=O)(=O)c1ccccc1N(=O)=O)c1ccccc1	0.571	0.387	0.379	0.527	0.5	0.513	0.915	0.34	0.209	0.853	0.541
Compound_470	CCN(S(=O)(=O)c1ccccc1N)c1ccccc1	0.237	0.344	0.611	0.507	0.468	0.373	0.04	0.619	0.171	0.164	0.191
Compound_471	Nc1ccc2c(c1S(=O)(=O)O)cccc2	0.72	0.386	0.98	0.427	0.671	0.617	0.98	0.931	0.479	0.152	0.31
Compound_472	NCC(N)(C)C	0.129	0.047	0.058	0.362	0.003	0.004	0.0	0.003	0.614	0.008	0.168
Compound_473	O=N(=O)c1c(C)cccc1C	0.95	0.14	0.787	0.55	0.132	0.171	0.998	0.981	0.706	0.997	0.92
Compound_474	O1C2C1C1C(C2)C2CC1C1C2O1	0.963	0.489	0.148	0.475	0.891	0.608	0.728	0.42	0.472	0.973	0.712
Compound_475	Cc1ccc2c(c1c1c(C)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1c(C2=O)cccc1	0.914	0.768	0.917	0.704	0.921	0.959	0.912	0.969	0.955	0.275	0.969
Compound_476	Clc1cc(Cl)c2c3c1ccc1c3c(cc2)c(cc1Cl)Cl	0.993	0.571	0.979	0.645	0.978	0.818	0.993	0.931	0.98	0.999	0.918
Compound_477	O=C1OC(=O)c2c3c1ccc1c3c(cc2)C(=O)OC1=O	0.825	0.509	0.994	0.546	0.116	0.464	0.983	0.127	0.758	0.097	0.888
Compound_478	OC(=O)c1ccc2c3c1c(ccc3c1c3c2ccc(c3c(cc1)C(=O)O)C(=O)O)C(=O)O	0.655	0.452	0.685	0.426	0.945	0.946	0.962	0.762	0.476	0.18	0.926
Compound_479	O([2H])C(=O)C(C(=O)O[2H])([2H])[2H]	0.458	0.053	0.264	0.269	0.117	0.048	0.023	0.396	0.583	0.006	0.242
Compound_480	CC(=O)OC1CC(=C2C1C(C)CCC2C=C(C(=O)O)C)C	0.903	0.716	0.092	0.358	0.908	0.232	0.769	0.992	0.737	0.885	0.211
Compound_481	N#Cc1c(N)c2C(=O)c3ccccc3C(=O)c2c(c1C#N)N	0.764	0.639	0.957	0.739	0.849	0.284	0.989	0.854	0.887	0.646	0.997
Compound_482	CCOP(=O)(CC(=O)C(C)(C)C)OCC	0.804	0.124	0.521	0.543	0.509	0.41	0.987	0.337	0.205	0.975	0.668
Compound_483	O=C(c1ccccc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Br	0.754	0.658	0.988	0.76	0.609	0.653	0.994	0.976	0.46	0.981	0.91
Compound_484	CCOP(=O)(OCC)Cl	0.91	0.386	0.741	0.657	0.048	0.025	0.991	0.987	0.487	0.985	0.631
Compound_485	O=C(c1ccccc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Cl	0.772	0.686	0.988	0.76	0.827	0.867	1.0	0.976	0.642	0.956	0.987
Compound_486	O=C(c1ccccc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N	0.828	0.66	0.98	0.711	0.706	0.257	0.99	0.849	0.774	0.526	0.974
Compound_487	Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N	0.746	0.602	0.974	0.688	0.683	0.652	0.994	0.984	0.433	0.973	0.943
Compound_488	OC1OC2OC3(C)CCC4C2(C(C1C)CCC4C)OO3	0.952	0.952	0.011	0.34	0.905	0.098	0.954	0.572	0.601	0.975	0.73
Compound_489	Brc1cc(C)c(c2c1C(=O)c1ccccc1C2=O)N	0.722	0.668	0.983	0.727	0.589	0.654	0.995	0.961	0.511	0.958	0.901
Compound_490	Oc1cc(O)c(c2c1C(=O)c1ccccc1C2=O)N	0.831	0.812	0.999	0.701	0.903	0.909	0.997	0.979	0.716	0.738	0.987
Compound_491	O=C(C(C)(C)C)C(=O)O	0.458	0.043	0.064	0.224	0.029	0.009	0.812	0.27	0.111	0.039	0.627
Compound_492	O=C(C(C)(C)C)C(C)(C)C	0.918	0.064	0.435	0.501	0.059	0.018	0.772	0.252	0.371	0.994	0.858
Compound_493	Oc1c(Br)cc(c2c1C(=O)c1ccccc1C2=O)O	0.933	0.643	0.899	0.69	0.591	0.646	0.964	0.984	0.457	0.797	0.999
Compound_494	Oc1c(Cl)cc(c2c1C(=O)c1ccccc1C2=O)O	0.892	0.665	0.899	0.69	0.901	0.708	0.789	0.984	0.52	0.669	0.999
Compound_495	O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)N(=O)=O)O)N(=O)=O	0.858	0.847	0.95	0.798	0.915	0.899	0.992	0.998	0.505	0.996	0.989
Compound_496	CC(C(=O)C)C(=O)C	0.89	0.106	0.349	0.49	0.031	0.022	0.929	0.101	0.534	0.802	0.941
Compound_497	ClC(=C(Cl)Cl)C(=O)Cl	0.922	0.304	0.407	0.637	0.784	0.25	0.999	1.0	0.695	1.0	0.972
Compound_498	Brc1cc(Br)c(c2c1C(=O)c1c(C2=O)c(Br)cc(c1N)Br)N	0.738	0.564	0.963	0.718	0.683	0.652	0.993	0.932	0.444	0.959	0.973
Compound_499	CC(=O)C(C(=O)C)C(=O)C	0.902	0.106	0.349	0.49	0.031	0.022	0.929	0.101	0.569	0.745	0.931
Compound_500	O=C1c2c(Cl)ccc(c2C(=O)c2c1c(Cl)ccc2Cl)Cl	0.86	0.693	0.856	0.7	0.847	0.849	0.967	0.949	0.747	0.939	1.002
Compound_501	O=C1CCC(=O)c2c1c(O)c1c(c2O)c(O)ccc1O	0.932	0.763	0.763	0.637	0.805	0.973	0.975	0.943	0.66	0.129	0.896
Compound_502	O=C1c2c(O)ccc(c2C(=O)c2c1c(O)ccc2O)O	0.914	0.811	0.934	0.795	0.831	0.923	0.951	0.986	0.78	0.212	0.991
Compound_503	CCC(C(=O)OC)CC	0.743	0.011	0.19	0.516	0.027	0.003	0.989	0.854	0.46	0.846	0.844
Compound_504	BrCC(=O)CBr	0.884	0.089	0.44	0.648	0.59	0.12	0.976	0.999	0.715	0.998	0.983
Compound_505	CCC(=O)CBr	0.872	0.094	0.104	0.669	0.527	0.076	0.991	0.995	0.239	0.997	0.966
Compound_506	CC(=C)COC(=O)C(C)C	0.922	0.022	0.111	0.596	0.297	0.018	0.99	0.908	0.171	0.993	0.944
Compound_507	CCC(=CC)CC	0.917	0.148	0.553	0.624	0.062	0.002	0.966	0.982	0.891	0.999	0.965
Compound_508	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1ccc(c(c1)S(=O)(=O)O)N	0.535	0.353	0.934	0.45	0.736	0.644	0.953	0.845	0.373	0.052	0.42
Compound_509	Oc1c(Nc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)Nc1ccccc1	0.679	0.816	0.975	0.702	0.939	0.729	0.981	0.988	0.741	0.808	0.979
Compound_510	Clc1ccccc1C(c1cc(C)c(cc1C)N)c1cc(C)c(cc1C)N	0.726	0.648	0.973	0.55	0.951	0.925	0.995	0.922	0.733	0.994	0.841
Compound_511	COc1cc(N(CC)CC)c(cc1N=Nc1c(Cl)cc(cc1N(=O)=O)N(=O)=O)OC	0.767	0.805	0.855	0.654	0.732	0.528	0.411	0.849	0.571	0.988	0.939
Compound_512	Nc1cc2c(c3c1C(=O)c1ccccc1C3=O)[nH]c1c(c2=O)cccc1	0.726	0.654	0.992	0.607	0.453	0.224	0.994	0.887	0.88	0.058	0.993
Compound_513	O=C1c2c(cccc2C(=O)c2c1cccc2Nc1ccccc1C(=O)O)Nc1ccccc1C(=O)O	0.519	0.737	0.422	0.275	0.971	0.83	0.977	0.494	0.683	0.41	0.896
Compound_514	Clc1c2[nH]c3c([nH]c2c2c(c1N)c(=O)c1c(c2=O)cccc1)c(Cl)c(c1c3c(=O)c2c(c1=O)cccc2)N	0.636	0.673	0.944	0.511	0.863	0.612	0.982	0.499	0.62	0.686	0.978
Compound_515	CC(=O)OC1C2CC(C1=C)C1C2CC=C1C	0.967	0.614	0.397	0.554	0.862	0.163	0.353	0.991	0.624	1.0	0.885
Compound_516	CCCCCCCC(=O)OC=C	0.888	0.008	0.341	0.615	0.203	0.028	0.997	0.979	0.265	1.0	0.905
Compound_517	Brc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C	0.625	0.683	0.888	0.767	0.587	0.654	0.976	0.639	0.473	0.613	0.493
Compound_518	O=C1OC(=O)c2c3c1cccc3c(cc2)Br	0.9	0.38	0.978	0.629	0.621	0.681	0.996	0.661	0.617	0.227	0.879
Compound_519	CCCCCC(C#C)O	0.887	0.115	0.059	0.486	0.059	0.276	0.963	0.563	0.408	0.851	0.39
Compound_520	O=C1c2ccccc2c2c3c1cccc3c(cc2)Sc1ccc2c3c1cccc3C(=O)c1c2cccc1	0.794	0.653	0.99	0.774	0.886	0.82	0.981	0.975	0.702	0.88	0.978
Compound_521	O=C1c2ccccc2c2c3c1cccc3c(cc2)Br	0.978	0.724	0.983	0.777	0.624	0.698	0.994	0.89	0.76	0.999	0.988
Compound_522	Brc1ccc2c(c1)C(=O)c1c3c2ccc(c3ccc1)Br	0.962	0.724	0.989	0.741	0.624	0.684	0.994	0.79	0.511	0.999	0.988
Compound_523	CCCCCC(=O)CCCC	0.98	0.019	0.315	0.548	0.052	0.023	0.991	0.667	0.511	1.0	0.929
Compound_524	CC(=O)OCC(=C)C	0.926	0.088	0.172	0.595	0.209	0.017	0.99	0.929	0.902	0.994	0.948
Compound_525	OC(=O)C1c2ccccc2Oc2c1cccc2	0.058	0.562	0.184	0.26	0.533	0.274	0.94	0.06	0.189	0.923	0.715
Compound_526	ClCC#CCCl	0.905	0.174	0.433	0.611	0.232	0.4	0.995	0.973	0.897	1.0	0.856
Compound_527	Cc1ccc(cc1)S(=O)(=O)Nc1cccc2c1C(=O)c1cccc(c1C2=O)Cl	0.497	0.416	0.552	0.429	0.823	0.676	0.904	0.962	0.387	0.951	0.413
Compound_528	O=C1c2cccc(c2C(=O)c2c1cccc2Oc1ccccc1)Oc1ccccc1	0.771	0.792	0.913	0.681	0.974	0.876	0.975	0.933	0.876	0.256	0.994
Compound_529	CCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.457	0.023	0.996	0.987	0.703	1.0	0.856
Compound_530	O=C(C(=O)O)Nc1cccc2c1C(=O)c1c(C2=O)c(ccc1)NC(=O)C(=O)O	0.578	0.7	0.683	0.417	0.621	0.511	0.986	0.667	0.223	0.763	0.732
Compound_531	NCCCCCCCCCCCN	0.321	0.035	0.057	0.386	0.04	0.087	0.002	0.004	0.486	0.103	0.259
Compound_532	O=C1c2cccc(c2C(=O)c2c1c(ccc2)Oc1ccccc1)Oc1ccccc1	0.751	0.792	0.913	0.681	0.961	0.881	0.968	0.933	0.876	0.256	0.994
Compound_533	CCCCCCCCCCCCCCl	1.001	0.043	0.309	0.704	0.469	0.269	0.998	0.997	0.178	1.0	0.907
Compound_534	CCCCCCCCCCCCCCCCCOC(=O)C	0.943	0.003	0.182	0.706	0.179	0.199	1.0	0.861	0.94	0.998	0.912
Compound_535	O=C1c2c(cccc2C(=O)c2c1cccc2)Nc1cccc2c1C(=O)c1ccccc1C2=O	0.626	0.719	0.929	0.664	0.963	0.827	0.997	0.893	0.728	0.904	0.996
Compound_536	C1CC=C1	0.895	0.141	0.312	0.601	0.191	0.012	0.997	0.882	0.68	0.997	0.754
Compound_537	S=C1SCCS1	0.759	0.422	0.403	0.535	0.349	0.375	0.799	0.762	0.639	0.999	0.81
Compound_538	CC(=O)Nc1ccc(cc1)OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C	0.314	0.705	0.422	0.535	0.795	0.852	0.961	0.117	0.402	0.363	0.544
Compound_539	ClP1OCCO1	0.74	0.32	0.403	0.614	0.096	0.041	0.957	0.967	0.742	0.98	0.65
Compound_540	O=C1c2ccccc2C(=O)c2c1c(N)c(cc2)C(=O)O	0.485	0.715	0.713	0.361	0.154	0.623	0.998	0.538	0.664	0.279	0.894
Compound_541	O=C1c2ccccc2C(=O)c2c1ccc(c2Cl)N	0.764	0.603	0.929	0.676	0.712	0.76	0.997	0.98	0.661	0.947	0.996
Compound_542	O=N(=O)c1cscc1	0.885	0.296	0.687	0.526	0.312	0.511	0.995	0.379	0.938	0.998	0.764
Compound_543	ClC1CCCCC1Cl	0.971	0.152	0.401	0.638	0.455	0.523	0.994	0.968	0.623	1.0	0.137
Compound_544	Cc1[nH]c(c(n1)C)C	0.683	0.336	0.606	0.437	0.256	0.771	0.032	0.783	0.599	0.48	0.624
Compound_545	C=C(C1CC1)C1CC1	0.972	0.289	0.535	0.532	0.555	0.13	0.99	0.939	0.773	0.999	0.973
Compound_546	Oc1ccc(cc1)Nc1ccc(c2c1cccc2S(=O)(=O)O)Nc1ccccc1	0.742	0.24	0.955	0.5	0.763	0.699	0.55	0.882	0.566	0.403	0.794
Compound_547	Brc1cc(c(c2c1C(=O)c1cccc(c1C2=O)S(=O)(=O)O)N)S(=O)(=O)O	0.494	0.324	0.959	0.46	0.695	0.652	0.924	0.902	0.408	0.631	0.571
Compound_548	O/C=C\1/CCCCC1=O	0.935	0.344	0.41	0.533	0.123	0.092	0.933	0.863	0.385	0.828	0.45
Compound_549	O=C1c2ccccc2C(=O)c2c1cccc2N(=O)=O	0.946	0.764	0.868	0.653	0.599	0.793	0.994	0.993	0.503	0.998	0.977
Compound_550	CC1CCC(=O)C(C1)C	0.943	0.154	0.221	0.395	0.028	0.017	0.767	0.081	0.374	0.996	0.474
Compound_551	O=C1c2cccc(c2C(=O)c2c1c(ccc2)N(=O)=O)N(=O)=O	0.943	0.777	0.868	0.653	0.571	0.771	0.993	0.993	0.555	0.999	0.973
Compound_552	CC(=O)Nc1cccc2c1C(=O)c1c(C2=O)cccc1NC(=O)C	0.505	0.76	0.909	0.52	0.421	0.726	0.944	0.882	0.904	0.717	0.944
Compound_553	CC(=O)C1CCCCC1	0.976	0.116	0.311	0.537	0.038	0.023	0.984	0.165	0.615	0.998	0.5
Compound_554	BrCc1cccc(c1)Br	0.909	0.145	0.879	0.692	0.543	0.385	0.999	0.97	0.713	0.996	0.297
Compound_555	N#Cc1ccc(cc1F)O	0.974	0.151	0.721	0.691	0.706	0.243	0.858	0.867	0.835	0.911	0.94
Compound_556	COc1cccc2c1C(=O)c1c(C2=O)cccc1	0.67	0.791	0.897	0.708	0.399	0.741	0.935	0.165	0.718	0.133	0.975
Compound_557	Cc1cccc2c1CCC2	0.522	0.381	0.751	0.552	0.085	0.069	0.883	0.755	0.87	0.987	0.636
Compound_558	Clc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.859	0.7	0.944	0.792	0.857	0.793	0.817	0.987	0.533	0.419	0.998
Compound_559	Clc1cccc2c1C(=O)c1c(C2=O)cccc1Cl	0.834	0.693	0.883	0.685	0.788	0.858	0.961	0.967	0.731	0.939	1.002
Compound_560	Clc1cccc2c1C(=O)c1ccccc1C2=O	0.847	0.693	0.883	0.685	0.743	0.827	0.961	0.967	0.622	0.939	1.002
Compound_561	ClCc1cc(C)ccc1C	0.819	0.218	0.929	0.686	0.244	0.25	0.989	0.942	0.933	0.955	0.663
Compound_562	ClCc1ccc(cc1C)C	0.822	0.194	0.929	0.686	0.244	0.25	0.989	0.942	1.0	0.971	0.593
Compound_563	Clc1cccc2c1C(=O)c1cccc(c1C2=O)Cl	0.85	0.693	0.883	0.685	0.788	0.858	0.961	0.967	0.731	0.939	1.002
Compound_564	Oc1cc(Cl)c(cc1Cl)O	0.914	0.168	0.486	0.574	0.761	0.447	0.925	0.974	0.898	0.976	0.94
Compound_565	Oc1cccc2c1c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O	0.569	0.305	0.986	0.513	0.692	0.681	0.597	0.737	0.458	0.207	0.73
Compound_566	O=C1c2cccc(c2C(=O)c2c1cccc2S(=O)(=O)O)S(=O)(=O)O	0.474	0.465	0.821	0.351	0.631	0.731	0.616	0.735	0.367	0.816	0.17
Compound_567	ClCc1ccc(cc1)OC	0.809	0.139	0.862	0.79	0.39	0.78	0.561	0.065	0.887	0.947	0.66
Compound_568	O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)O	0.525	0.524	0.821	0.351	0.571	0.712	0.616	0.735	0.357	0.851	0.175
Compound_569	ClCc1cccc(c1)OC	0.625	0.139	0.865	0.79	0.295	0.179	0.75	0.152	0.65	0.947	0.66
Compound_570	O=N(=O)c1cccc2c1C(=O)c1c(C2=O)c(ccc1)S(=O)(=O)O	0.61	0.418	0.795	0.44	0.634	0.67	0.952	0.961	0.394	0.585	0.532
Compound_571	CCCCCCCCCCCCN1C(=O)NC2(C1=O)CC(C)(C)N(C(C2)(C)C)C(=O)C	0.213	0.534	0.694	0.378	0.046	0.24	0.045	0.199	0.427	0.812	0.26
Compound_572	O=S1(=O)C=Cc2c1cccc2	0.749	0.546	0.796	0.638	0.098	0.263	0.983	0.305	0.483	0.994	0.208
Compound_573	COc1c2c(=O)cc(oc2cc2c1cco2)C	0.149	0.763	0.962	0.425	0.026	0.465	0.069	0.071	0.702	0.105	0.993
Compound_574	C=C(c1ccccc1)C1CC1	0.905	0.573	0.322	0.525	0.173	0.111	0.995	0.869	0.868	0.999	0.882
Compound_575	OS(=O)(=O)c1cc(NN=C2C(=O)C=CC(=NNc3ccc4c(c3)C(=O)C(=NNc3ccc(cc3)N(=O)=O)C(=C4)S(=O)(=O)O)C2=O)c(c(c1)N(=O)=O)O	0.647	0.51	0.779	0.478	0.743	0.656	0.925	0.795	0.409	0.28	0.469
Compound_576	OS(=O)(=O)c1cc(c2c3c1NS(=O)(=O)c3ccc2)S(=O)(=O)O	0.253	0.346	0.402	0.4	0.595	0.664	0.193	0.336	0.35	0.242	0.453
Compound_577	O=C1OC(=O)C2C1C1C=CC2C1	0.716	0.182	0.213	0.578	0.729	0.077	0.969	0.997	0.557	0.829	0.527
Compound_578	O=C1CCCCc2c1cccc2	0.797	0.436	0.8	0.482	0.139	0.092	0.851	0.696	0.529	0.999	0.786
Compound_579	Cc1ccc2c(c1)c(C)ccn2	0.632	0.588	0.942	0.544	0.144	0.103	0.17	0.575	0.967	0.788	0.901
Compound_580	Nc1ccnn1c1ccccc1	0.233	0.492	0.889	0.49	0.316	0.465	0.063	0.029	0.765	0.087	0.233
Compound_581	Nc1cccc2c1c(ccc2)S(=O)(=O)O	0.771	0.268	0.98	0.466	0.388	0.626	0.885	0.9	0.481	0.14	0.561
Compound_582	OCCN(c1ccc(c(c1)C)N=Nc1c(Br)cc(cc1N(=O)=O)C(=O)OCC)CCO	0.731	0.541	0.929	0.653	0.662	0.652	0.226	0.513	0.404	0.785	0.61
Compound_583	Cc1cc(C)c(c(c1)C(C)(C)C)C(=O)C	0.631	0.089	0.784	0.575	0.028	0.098	0.181	0.463	0.923	0.99	0.705
Compound_584	Cc1cc(ccc1N)C(c1ccc(c(c1)C)N)c1ccccc1	0.672	0.667	0.984	0.561	0.891	0.987	0.997	0.968	0.681	0.944	0.928
Compound_585	CN1CCC2=C(C1)C(c1ccccc1)c1c2cccc1	0.21	0.646	0.042	0.116	0.368	0.445	0.067	0.009	0.415	0.003	0.029
Compound_586	Cc1ccc2c(c1)cc(c(c2)C)C	0.95	0.41	0.958	0.632	0.109	0.095	0.968	0.986	0.983	0.999	0.935
Compound_587	CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(C(C1O)O)O	0.591	0.359	0.047	0.621	0.096	0.111	0.748	0.142	0.349	0.486	0.195
Compound_588	C1CCC(CC1)PC1CCCCC1	0.872	0.19	0.299	0.46	0.924	0.787	0.94	0.771	0.904	0.996	0.164
Compound_589	ClC(=O)N(c1ccccc1)c1ccccc1	0.956	0.672	0.591	0.678	0.71	0.595	0.999	0.986	0.375	0.997	0.977
Compound_590	CCCCCCCCCCCCCCN1C(=O)NC2(C1=O)CC(C)(C)N(C(C2)(C)C)C(=O)C	0.213	0.534	0.694	0.378	0.046	0.24	0.045	0.199	0.427	0.812	0.26
Compound_591	ClCC(COP1(=O)OCC(CO1)(C)C)(COP1(=O)OCC(CO1)(C)C)CCl	0.805	0.557	0.585	0.708	0.415	0.363	0.984	0.996	0.671	0.788	0.51
Compound_592	CCC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.96	0.091	0.42	0.773	0.817	0.819	0.999	1.0	0.33	1.0	0.963
Compound_593	CCC(=O)OCC(COC(=O)C=C)(COC(=O)CC)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.96	0.087	0.42	0.773	0.817	0.819	0.999	1.0	0.33	0.999	0.961
Compound_594	CCC(=O)OCC(COC(=O)CC)(COC(=O)CC)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.96	0.055	0.42	0.773	0.817	0.819	0.999	1.0	0.33	1.0	0.96
Compound_595	COc1cc(OC)cc(c1C=O)OC	0.694	0.195	0.494	0.666	0.327	0.397	0.764	0.018	0.905	0.416	0.577
Compound_596	OC(=O)CCc1c[nH]c2c1cccc2	0.188	0.364	0.701	0.265	0.26	0.62	0.049	0.219	0.258	0.003	0.144
Compound_597	CCC(=O)c1ccc(cc1OC)OC	0.658	0.216	0.662	0.64	0.509	0.52	0.514	0.132	0.263	0.357	0.668
Compound_598	CCOC(=O)C(c1ccccc1)C(=O)OCC	0.401	0.134	0.793	0.607	0.104	0.073	0.838	0.09	0.197	0.337	0.533
Compound_599	OC(=O)c1cc(cc(c1O)N)N(=O)=O	0.347	0.14	0.256	0.359	0.275	0.38	0.038	0.86	0.494	0.62	0.843
Compound_600	O=Cc1cc(n(c1C)c1ccccc1)C	0.442	0.505	0.073	0.507	0.387	0.554	0.974	0.421	0.925	0.082	0.818
Compound_601	O=C1CCCCCCCCCCCC1	0.979	0.1	0.32	0.482	0.063	0.055	0.963	0.683	0.401	0.999	0.49
Compound_602	Cc1ccc(n1c1ccccc1)C	0.809	0.485	0.291	0.476	0.5	0.674	0.997	0.92	0.942	0.556	0.635
Compound_603	Cc1ccc2c(c1)c1ccccc1cc2	0.95	0.562	0.963	0.632	0.507	0.551	0.995	0.99	0.949	0.999	0.918
Compound_604	CCCCCCCSc1ncnc2c1[nH]cn2	0.52	0.475	0.637	0.402	0.466	0.71	0.008	0.679	0.497	0.888	0.5
Compound_605	CC(CC(=O)C1C(=O)c2c(C1=O)cccc2)C	0.888	0.295	0.907	0.465	0.148	0.761	0.059	0.071	0.547	0.077	0.612
Compound_606	Oc1cc(O)c(c(c1)O)C(=O)O	0.449	0.173	0.189	0.381	0.455	0.511	0.23	0.198	0.602	0.527	0.058
Compound_607	O=S1(=O)Oc2c3c1cccc3ccc2	0.95	0.594	0.973	0.659	0.298	0.56	0.489	0.963	0.477	0.943	0.381
Compound_608	O=C1CCc2c1cccc2	0.752	0.547	0.8	0.468	0.073	0.34	0.691	0.654	0.727	0.948	0.883
Compound_609	c1ccc2c(c1)CCc1c(C2)cccc1	0.549	0.468	0.887	0.508	0.27	0.116	0.987	0.942	0.607	1.0	0.845
Compound_610	O=Cc1c(Cl)cccc1Cl	0.953	0.088	0.221	0.642	0.339	0.472	0.999	0.773	0.599	0.999	0.791
Compound_611	O=C(c1ccc(cc1)C)CCCC(=O)O	0.505	0.11	0.306	0.199	0.004	0.038	0.944	0.066	0.295	0.005	-0.001
Compound_612	Cc1cccc(c1)OCc1ccccc1	0.599	0.736	0.839	0.695	0.369	0.199	0.942	0.749	0.536	0.975	0.826
Compound_613	Cc1ccc(cc1)OCc1ccccc1	0.767	0.736	0.805	0.695	0.489	0.89	0.877	0.782	0.683	0.975	0.826
Compound_614	ClCCOC(=O)c1ccc(c(c1)N)C	0.26	0.398	0.99	0.58	0.278	0.425	0.973	0.301	0.653	0.12	0.816
Compound_615	CCC(=O)c1c(OC)cc(cc1OC)OC	0.609	0.221	0.662	0.642	0.452	0.473	0.982	0.108	0.354	0.484	0.672
Compound_616	O[C@@H]1CC[C@]2([C@@H](C1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C	0.787	0.915	0.042	0.182	0.751	0.833	0.02	0.873	0.028	0.992	0.087
Compound_617	Oc1ccccc1C(=O)c1ccccc1O	0.925	0.788	0.949	0.805	0.65	0.802	0.975	0.969	0.511	0.735	0.9
Compound_618	Brc1ccc(c2c1cccc2)Br	0.996	0.567	0.976	0.61	0.522	0.653	0.995	0.838	0.954	1.0	0.918
Compound_619	Clc1cc(Cl)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Cl)N(S(=O)(=O)C)C	0.86	0.565	0.945	0.715	0.439	0.79	0.995	0.95	0.424	0.941	0.704
Compound_620	OC(=O)C(c1ccccc1)(O)O	0.047	0.123	0.079	0.254	0.054	0.037	0.939	0.057	0.25	0.064	0.522
Compound_621	Cc1ccc(cc1)c1nc2c(o1)cccc2	0.153	0.618	0.987	0.807	0.596	0.607	0.552	0.978	0.839	0.911	0.911
Compound_622	OCc1ccccc1CCc1ccccc1	0.298	0.341	0.515	0.512	0.264	0.376	0.855	0.789	0.229	0.859	0.849
Compound_623	COc1ccccc1OCc1ccccc1	0.559	0.486	0.746	0.62	0.342	0.253	0.94	0.023	0.578	0.904	0.888
Compound_624	ClCc1ccc(cc1)OCc1ccccc1	0.776	0.725	0.814	0.79	0.843	0.964	0.966	0.68	0.823	0.997	0.991
Compound_625	OCc1ccc(cc1)OCc1ccccc1	0.56	0.709	0.635	0.608	0.825	0.84	0.963	0.272	0.457	0.278	0.866
Compound_626	Nc1ccc(c2c1c(O)ccc2)S(=O)(=O)O	0.595	0.218	0.97	0.535	0.603	0.621	0.633	0.884	0.459	0.135	0.872
Compound_627	Oc1ccc(c2c1c(O)ccc2)S(=O)(=O)O	0.801	0.472	0.949	0.503	0.43	0.584	0.808	0.867	0.483	0.521	0.295
Compound_628	Cc1cc(O)c2c(c1N)cccc2	0.623	0.816	0.992	0.575	0.666	0.766	0.957	0.997	0.769	0.981	0.998
Compound_629	O=N(=O)c1cc(C)c(cc1Cl)I	0.968	0.109	0.414	0.709	0.472	0.193	1.0	0.811	0.459	0.999	0.846
Compound_630	CCCCCCCCCCCCCCCCN(S(=O)(=O)c1cc(OC)c(cc1OC)NC(=O)CC(=O)c1ccccc1)C	0.362	0.587	0.555	0.42	0.5	0.639	0.255	0.148	0.407	0.648	0.179
Compound_631	Clc1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)NC(=O)c1cccc(c1)Cl)O	0.848	0.714	0.997	0.785	0.956	0.825	0.857	0.98	0.443	0.975	0.986
Compound_632	Nc1ccccc1NC1CCNCC1	0.176	0.396	0.308	0.303	0.121	0.073	0.0	0.636	0.576	0.017	0.096
Compound_633	O=N(=O)c1cc(cc(c1O)Cl)S(=O)(=O)O	0.791	0.384	0.985	0.446	0.714	0.65	0.931	0.99	0.48	0.712	0.484
Compound_634	Clc1ccc(cc1)Oc1ccc(cc1N(C)C)Cl	0.918	0.66	0.81	0.559	0.539	0.373	0.423	0.798	0.694	0.978	0.916
Compound_635	COc1ccc(c(n1)Cl)Cl	0.807	0.218	0.946	0.633	0.212	0.243	0.975	0.363	0.929	0.956	0.422
Compound_636	OC(=O)c1cc(ccc1O)S(=O)(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)O	0.523	0.417	0.577	0.53	0.616	0.636	0.787	0.917	0.499	0.226	0.494
Compound_637	CC(=O)C(C(=O)Cl)(Cl)Cl	0.947	0.073	0.46	0.659	0.233	0.252	0.999	0.983	0.492	0.908	0.988
Compound_638	COC(=O)c1c[nH]c(=S)n1c1ccccc1	0.246	0.532	0.021	0.418	0.082	0.355	0.003	0.087	0.851	0.334	0.548
Compound_639	N1CCC(CC1)n1cnc2c1cccc2	0.132	0.364	0.125	0.408	0.157	0.556	0.001	0.163	0.312	0.022	0.051
Compound_640	CCCC(c1ccccc1)(CCO)CCO	0.652	0.194	0.469	0.502	0.137	0.188	0.783	0.059	0.189	0.47	0.601
Compound_641	CCOC(=O)N1CCC(=CC1)n1c(=O)[nH]c2c1cccc2	0.505	0.546	0.689	0.542	0.082	0.524	0.005	0.666	0.31	0.011	0.489
Compound_642	CCCCCCCCCCCCCC(=O)OCCI	0.925	0.056	0.417	0.782	0.282	0.242	0.999	0.983	0.231	1.0	0.932
Compound_643	CC(=O)NCC1(CCNCC1)c1ccccc1	0.066	0.307	0.004	0.166	0.002	0.056	-0.0	0.02	0.454	0.001	0.057
Compound_644	CNS(=O)(=O)c1ccc(c(c1)NC(=O)C)O	0.35	0.367	0.003	0.305	0.285	0.514	0.001	0.154	0.247	0.063	0.176
Compound_645	Nc1ccc(cc1)Nc1ccc(cc1N(=O)=O)S(=O)(=O)NS(=O)(=O)C	0.492	0.268	0.045	0.212	0.551	0.589	0.061	0.816	0.382	0.462	0.483
Compound_646	CC(NC1(CCNCC1)C(=O)N)C	0.019	0.269	0.003	0.158	0.004	0.005	0.0	0.004	0.092	0.0	0.04
Compound_647	Clc1ccc(c(c1)Cl)C1(CC1)C(=O)Cl	0.857	0.365	0.753	0.774	0.762	0.306	0.972	0.99	0.436	0.995	0.951
Compound_648	CCCOC(=O)C1(CCNCC1)c1ccccc1	0.112	0.458	0.035	0.455	0.015	0.023	0.0	0.01	0.263	0.006	0.071
Compound_649	N#CCCNC1CCN(CC1)Cc1ccccc1	0.172	0.303	0.006	0.131	0.028	0.141	0.0	0.374	0.486	0.054	0.293
Compound_650	CCOC(=O)N1CCC(CC1)(Nc1ccccc1)C(=O)N	0.073	0.428	0.088	0.392	0.037	0.117	0.001	0.02	0.216	0.058	0.479
Compound_651	CCC(=O)NCC1(CCNCC1)c1ccccc1	0.077	0.343	0.0	0.182	0.001	0.043	-0.0	0.018	0.212	0.032	0.158
Compound_652	CCOC(=O)NCC1(CCNCC1)c1ccccc1	0.109	0.325	0.089	0.234	0.017	0.249	0.001	0.034	0.219	0.005	0.246
Compound_653	OC1(CCCCc2ccccc2)CCNCC1	0.041	0.322	0.013	0.298	0.008	0.042	0.0	0.041	0.168	0.008	0.046
Compound_654	CCCCc1oc2c(c1C(=O)c1ccc(cc1)OC)cccc2	0.092	0.732	0.458	0.539	0.395	0.861	0.99	0.258	0.768	0.463	0.932
Compound_655	Nc1ccc(cc1)S(=O)(=O)N(c1nccc(n1)C)C(=O)C	0.068	0.289	0.523	0.562	0.12	0.321	0.0	0.096	0.321	0.001	0.183
Compound_656	COc1cc(ccc1OC)Cc1n(C)ccc2c1cc(O)c(=O)c2	0.487	0.689	0.334	0.652	0.23	0.9	0.005	0.516	0.335	0.028	0.764
Compound_657	COc1c(Br)ccc(c1C)Cl	0.853	0.17	0.876	0.71	0.682	0.643	0.822	0.032	0.745	0.981	0.892
Compound_658	O=CCCCSCC	0.709	0.058	0.409	0.51	0.135	0.263	0.997	0.241	0.331	1.0	0.904
Compound_659	ClCc1ccc(cc1)C(=O)NC(C)C	0.183	0.153	0.704	0.38	0.023	0.726	0.099	0.978	0.315	0.818	0.438
Compound_660	N#N=C1C=Cc2c(C1=O)cccc2S(=O)(=O)Oc1ccccc1C	0.767	0.58	0.771	0.704	0.426	0.837	0.686	0.913	0.381	0.461	0.178
Compound_661	COc1ccc(c(c1C)O)C(=O)c1ccccc1	0.815	0.76	0.819	0.78	0.892	0.963	0.934	0.071	0.888	0.081	0.829
Compound_662	CN(CCCOc1ccc(c(c1)O)C(=O)c1ccccc1)C	0.256	0.376	0.043	0.411	0.875	0.938	0.156	0.419	0.396	0.001	0.084
Compound_663	O=C(c1ccc2c(c1)cccc2)NNC(=O)c1ccccc1C	0.575	0.71	0.948	0.521	0.31	0.937	0.989	0.941	0.516	0.913	0.328
Compound_664	Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2c(c1)cccc2	0.658	0.741	0.963	0.522	0.31	0.937	0.989	0.943	0.483	0.941	0.301
Compound_665	Cc1cccc(c1)C(=O)NNC(=O)c1ccc2c(c1)cccc2	0.603	0.741	0.983	0.527	0.31	0.937	0.989	0.945	0.523	0.941	0.301
Compound_666	Cc1ccc(cc1)C(=O)NNC(=O)c1cccc2c1cccc2	0.658	0.741	0.95	0.504	0.31	0.937	0.989	0.9	0.464	0.941	0.301
Compound_667	O=C(c1cccc2c1cccc2C(=O)c1ccccc1)c1ccccc1	0.976	0.725	0.905	0.597	0.848	0.94	0.98	0.856	0.773	0.874	0.998
Compound_668	Brc1ccccc1c1nnc(o1)c1ccccc1	0.517	0.552	0.936	0.817	0.487	0.661	0.803	0.348	0.587	0.236	0.616
Compound_669	Brc1cccc(c1)c1nnc(o1)c1ccccc1	0.384	0.598	0.942	0.816	0.661	0.634	0.803	0.108	0.657	0.426	0.623
Compound_670	Fc1cccc(c1c1noc(c1C(=O)[O-])C)Cl	0.592	0.523	0.913	0.551	0.84	0.499	0.553	0.59	0.863	0.348	0.742
Compound_671	CCOC(=O)c1c(C)onc1c1ccccc1Cl	0.535	0.587	0.988	0.768	0.856	0.629	0.543	0.56	0.632	0.188	0.86
Compound_672	CCOC(=O)c1c(C)onc1c1c(F)cccc1Cl	0.542	0.567	0.988	0.69	0.878	0.642	0.529	0.574	0.618	0.188	0.842
Compound_673	OC(=O)c1c(C)onc1c1cccs1	0.438	0.581	0.631	0.398	0.606	0.688	0.426	0.014	0.861	0.057	0.629
Compound_674	Clc1cc(Cc2cc(Cl)cc(c2O)S(=O)(=O)O)c(c(c1)S(=O)(=O)O)O	0.381	0.598	0.821	0.412	0.709	0.653	0.188	0.275	0.415	0.862	0.191
Compound_675	Clc1cc(Cc2cc(Cl)ccc2O)c(c(c1)S(=O)(=O)O)O	0.464	0.598	0.892	0.417	0.708	0.651	0.064	0.283	0.596	0.862	0.191
Compound_676	Cc1cc2sc3ccccc3c(=O)c2cc1Cl	0.748	0.729	0.925	0.597	0.664	0.711	0.975	0.871	0.78	0.996	0.903
Compound_677	CCOC(=O)c1ccc2c(c1)c(=O)c1c(s2)cccc1	0.744	0.7	0.995	0.66	0.601	0.801	0.979	0.524	0.616	0.866	0.85
Compound_678	CCN(C(=O)c1ccccc1C(=O)N(CC)CC)CC	0.367	0.348	0.451	0.493	0.008	0.301	0.229	0.028	0.259	0.267	0.119
Compound_679	Cc1cc(c2cc(C)c(cc2S(=O)(=O)O)N)c(cc1N)S(=O)(=O)O	0.429	0.35	0.957	0.368	0.748	0.647	0.718	0.688	0.353	0.068	0.11
Compound_680	COc1ccc(cc1)C(=O)NNC(=O)c1cccc2c1cccc2	0.653	0.785	0.949	0.608	0.487	0.97	0.984	0.356	0.477	0.746	0.233
Compound_681	O=CNCC1(CCNCC1)c1ccccc1	0.061	0.267	0.012	0.226	0.007	0.311	0.0	0.044	0.451	0.002	0.061
Compound_682	Ic1ccc(c(c1)Cl)C	0.885	0.123	0.733	0.684	0.304	0.176	0.995	0.504	0.611	0.999	0.298
Compound_683	COC(=O)c1cncn1c1ccccc1	0.168	0.521	0.112	0.526	0.219	0.317	0.02	0.188	0.927	0.023	0.657
Compound_684	OC(=O)C1(CC1)c1ccc(cc1)C	0.037	0.294	0.28	0.228	0.165	0.068	0.562	0.036	0.341	0.099	0.069
Compound_685	CCOC(=O)Nc1ccccc1C(=O)OC	0.596	0.419	0.967	0.554	0.11	0.52	0.617	0.047	0.351	0.026	0.402
Compound_686	Nc1ccc(cc1N)C(=O)c1cccs1	0.573	0.689	0.475	0.557	0.423	0.639	0.978	0.406	0.531	0.917	0.81
Compound_687	O=C(NC(c1ccccc1)C(=O)O)OCC(Cl)(Cl)Cl	0.027	0.222	0.152	0.391	0.067	0.305	0.194	0.714	0.295	0.066	0.57
Compound_688	CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)CCC	0.927	0.684	0.537	0.661	0.852	0.953	0.957	0.744	0.778	0.996	0.729
Compound_689	CCCc1ccc(cc1)C(=O)Oc1ccc(cc1)CC	0.801	0.732	0.537	0.707	0.852	0.953	0.957	0.412	0.703	0.723	0.322
Compound_690	CCOC(=O)CC(=O)c1ccc(cc1)N(=O)=O	0.956	0.363	0.776	0.608	0.299	0.518	0.999	0.64	0.454	0.917	0.667
Compound_691	Ic1ccc(c(c1)N)C	0.688	0.198	0.954	0.533	0.142	0.146	0.984	0.944	0.592	0.979	0.277
Compound_692	Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(O)c1ccccc1	0.076	0.428	0.064	0.529	0.316	0.291	0.005	0.044	0.419	0.006	0.138
Compound_693	Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C	0.073	0.409	0.085	0.473	0.52	0.527	0.034	0.105	0.41	0.015	0.14
Compound_694	COc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C	0.078	0.505	0.032	0.455	0.313	0.317	0.063	0.026	0.403	0.005	0.173
Compound_695	Cc1cccc(c1)C1(CCNCC1)C(=O)N1CCCC1	0.063	0.361	0.111	0.355	0.001	0.049	0.005	0.013	0.43	0.001	0.048
Compound_696	O=c1ccocc1c1ccccc1c1ccccc1	0.769	0.743	0.676	0.792	0.429	0.91	0.999	0.141	0.94	0.113	0.934
Compound_697	CCOC(=O)N1CCC(C(C1)OC)N	0.059	0.443	0.055	0.468	0.011	0.02	0.003	0.026	0.136	0.066	0.182
Compound_698	OC(=O)Cc1n(C)ccc1C(=O)O	0.081	0.32	0.039	0.207	0.075	0.248	0.022	0.024	0.383	0.002	0.246
Compound_699	Oc1cc(c(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	0.906	0.051	0.854	0.606	0.545	0.95	0.129	0.995	0.782	0.988	0.5
Compound_700	O=C1CCCC(C1(O)O)(Cl)Cl	0.866	0.24	0.386	0.619	0.062	0.371	0.924	0.94	0.232	0.734	0.239
Compound_701	COC(=O)C1(CCNCC1)c1ccccc1	0.063	0.388	0.016	0.331	0.009	0.013	0.0	0.015	0.224	0.0	0.056
Compound_702	O=C(N(C)C)Nc1ccccc1O	0.762	0.464	0.751	0.505	0.392	0.075	0.016	0.758	0.478	0.035	0.058
Compound_703	O=C(N(C)C)Nc1cccc(c1O)C	0.528	0.46	0.78	0.48	0.211	0.097	0.043	0.204	0.553	0.031	0.094
Compound_704	CN(C(=O)Nc1cccc(c1O)Cl)C	0.817	0.52	0.749	0.608	0.706	0.235	0.176	0.637	0.544	0.344	0.179
Compound_705	OC(=O)c1nccc(c1)CCCc1ccccc1	0.129	0.507	0.097	0.287	0.161	0.279	0.006	0.006	0.466	0.036	0.281
Compound_706	CCOC(=O)N1CCC(CC1)Nc1nc2c(n1Cc1ccccc1)cccc2	0.157	0.609	0.696	0.523	0.315	0.848	0.427	0.049	0.446	0.743	0.596
Compound_707	CCOC(=O)NCC1(CCN(CC1)Cc1ccccc1)c1ccccc1	0.148	0.543	0.203	0.153	0.09	0.781	0.13	0.264	0.239	0.003	0.344
Compound_708	CN(C(=O)Nc1cccc(c1O)N(=O)=O)C	0.612	0.376	0.692	0.457	0.686	0.648	0.058	0.966	0.497	0.662	0.56
Compound_709	COC(=O)N1CCC(=O)[C-](C1)C(=O)OC	0.081	0.419	0.2	0.438	0.011	0.097	0.17	0.829	0.347	0.059	0.369
Compound_710	NC(=O)OCCCn1c(=O)[nH]c2c1ccc(c2)Cl	0.561	0.448	0.08	0.325	0.274	0.56	0.031	0.023	0.463	0.003	0.432
Compound_711	COC(=O)[C-]1CN(CCC1=O)C(C)C	0.082	0.437	0.091	0.092	0.018	0.075	0.004	0.092	0.239	0.071	0.329
Compound_712	Oc1c(c2ccccc2cc1C(C)(C)C)C(C)(C)C	0.807	0.555	0.224	0.585	0.789	0.986	0.283	0.948	0.72	0.999	0.955
Compound_713	Cc1c(Br)c(Cl)c(c(c1O)Br)Br	0.844	0.122	0.604	0.692	0.686	0.652	0.868	0.986	0.5	0.995	0.916
Compound_714	CC(=O)OC1(CCN(CC1)CCCC(c1ccc(cc1)F)c1ccc(cc1)F)c1ccc(c(c1)C(F)(F)F)Cl	0.314	0.429	0.102	0.242	0.962	0.477	0.772	0.839	0.954	0.234	0.369
Compound_715	Clc1ccc(cc1)C1(CCCO1)c1ccc(cc1)Cl	0.559	0.605	0.194	0.591	0.87	0.934	0.537	0.272	0.557	0.923	0.979
Compound_716	CCCCOC(=O)C1(CCNCC1)c1ccccc1	0.116	0.489	0.013	0.453	0.024	0.033	0.002	0.014	0.5	0.016	0.076
Compound_717	Brc1cc(Nc2ccccc2C(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.603	0.584	0.508	0.337	0.663	0.652	0.998	0.881	0.459	0.788	0.827
Compound_718	CCOC(=O)C1=NN(C(=O)C1)c1ccc(cc1S(=O)(=O)O)C	0.454	0.351	0.939	0.306	0.567	0.611	0.51	0.156	0.406	0.015	0.294
Compound_719	C=CCOc1c(C)c(Br)c(c(c1Br)Br)Br	0.844	0.372	0.863	0.705	0.702	0.65	0.779	0.989	0.336	0.995	0.701
Compound_720	Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)c1c(Br)c(Br)cc(c1Br)Br)Br	0.961	0.715	0.937	0.726	0.689	0.651	0.998	0.957	0.675	0.994	0.989
Compound_721	CCCC(=O)Oc1c(Br)c(Br)c(c(c1Br)Br)Br	0.767	0.176	0.374	0.66	0.648	0.652	0.988	0.792	0.235	0.982	0.487
Compound_722	BrCc1c(COc2c(Br)cc(cc2Br)Br)c(Br)c(c(c1CBr)CBr)CBr	0.653	0.619	0.69	0.777	0.702	0.654	0.991	0.927	0.396	1.0	0.993
Compound_723	Clc1cccc(c1)C1(CCNCC1)C(=O)N1CCCC1	0.069	0.372	0.313	0.421	0.032	0.164	0.024	0.087	0.332	0.007	0.092
Compound_724	CCOC(=O)CN(c1ccccc1)C(=O)C	0.722	0.513	0.659	0.601	0.265	0.038	0.675	0.709	0.247	0.396	0.201
Compound_725	NCC1(CCNCC1)Nc1ccccc1	0.079	0.42	0.243	0.29	0.037	0.238	0.0	0.19	0.318	0.003	0.157
Compound_726	Brc1ccc2c(c1)c(=O)c1c([nH]2)c2C(=O)c3ccccc3C(=O)c2c(c1)Nc1nc(nc(n1)Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	0.775	0.555	0.997	0.547	0.683	0.652	0.944	0.859	0.478	0.504	0.911
Compound_727	C=CC(=O)Nc1ccc(c2c1cccc2)O	0.669	0.769	0.961	0.67	0.746	0.668	0.931	0.999	0.757	0.973	0.852
Compound_728	C=CCOC(=O)Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)OCC=C)(C)C	0.852	0.597	0.936	0.795	0.891	0.958	0.991	0.974	0.3	0.978	0.347
Compound_729	O=CCCC(O)O	0.443	0.041	0.109	0.464	0.047	0.492	0.95	0.365	0.314	0.002	0.105
Compound_730	ClCC(=O)N(c1ccc(cc1)Cl)C(C)C	0.939	0.368	0.614	0.64	0.86	0.428	0.976	0.966	0.567	0.535	0.739
Compound_731	CC(CCCC(=O)CCCC(C)C)C	0.98	0.026	0.754	0.478	0.045	0.012	0.963	0.098	0.134	0.998	0.821
Compound_732	CCCCOc1ccc(cc1OC)CC=C	0.543	0.379	0.747	0.65	0.341	0.291	0.691	0.978	0.167	0.979	0.576
Compound_733	Cc1ccc2c(c1C(C)(C)C)cccc2	0.868	0.446	0.874	0.626	0.225	0.23	0.882	0.941	0.937	0.999	0.937
Compound_734	Cc1cc2ccccc2cc1C(C)(C)C	0.874	0.446	0.903	0.633	0.225	0.23	0.882	0.975	0.955	0.999	0.937
Compound_735	Cc1cc2ccccc2c(c1)C(C)(C)C	0.802	0.521	0.924	0.642	0.225	0.23	0.882	0.973	0.98	0.999	0.911
Compound_736	Cc1ccc2c(c1)cccc2C(C)(C)C	0.828	0.521	0.907	0.638	0.225	0.23	0.882	0.966	0.962	0.999	0.911
Compound_737	Cc1ccc2c(c1)ccc(c2)C(C)(C)C	0.872	0.521	0.92	0.633	0.225	0.23	0.882	0.824	0.837	0.999	0.911
Compound_738	Cc1ccc2c(c1)cc(cc2)C(C)(C)C	0.828	0.521	0.92	0.633	0.225	0.23	0.882	0.824	0.973	0.999	0.911
Compound_739	Cc1ccc2c(c1)c(ccc2)C(C)(C)C	0.831	0.521	0.907	0.638	0.225	0.23	0.882	0.966	0.962	0.999	0.911
Compound_740	O=C1OC(=O)c2c1cc(C(C)C)c(c2)C	0.785	0.129	0.935	0.536	0.049	0.054	0.937	0.06	0.593	0.132	0.453
Compound_741	OC(=O)c1cc(C(C)C)c(cc1C(=O)O)C	0.376	0.107	0.102	0.261	0.063	0.049	0.769	0.02	0.712	0.202	0.284
Compound_742	C=CC(=O)OCc1c(Cl)cccc1N(=O)=O	0.864	0.398	0.867	0.691	0.867	0.547	0.989	0.987	0.643	0.998	0.796
Compound_743	Cc1ccc(c2c1cccc2)C(C)(C)C	0.836	0.521	0.893	0.615	0.225	0.23	0.882	0.975	0.97	0.999	0.911
Compound_744	Cc1cccc2c1ccc(c2)C(C)(C)C	0.828	0.521	0.893	0.647	0.225	0.23	0.882	0.933	0.962	0.999	0.911
Compound_745	Cc1cccc2c1c(ccc2)C(C)(C)C	0.863	0.521	0.903	0.601	0.222	0.208	0.91	0.981	0.964	0.999	0.911
Compound_746	CCC1(C(=O)NC(=S)NC1=O)c1ccc(cc1)C	0.082	0.416	0.182	0.226	0.026	0.531	0.026	0.037	0.417	0.018	0.265
Compound_747	ClCC(=O)CC(=O)Nc1ccccc1C	0.695	0.393	0.726	0.613	0.708	0.327	0.984	0.986	0.524	0.688	0.668
Compound_748	CCCCCCCCCCCCc1ccc(cc1)NC(=O)CC(=O)C	0.893	0.303	0.93	0.529	0.235	0.879	0.929	0.636	0.558	0.931	0.358
Compound_749	CN(c1ccc(cc1)O)C(=O)CC(=O)C	0.796	0.411	0.355	0.561	0.433	0.305	0.056	0.25	0.511	0.004	0.079
Compound_750	CN1CCCN2C1=NCCC2	0.151	0.587	0.071	0.566	0.038	0.232	0.002	0.77	0.431	0.047	0.148
Compound_751	CCCCCCCCNCCNCCN(CCCCCCCC)CCCCCCCC	0.131	0.19	0.005	0.2	0.027	0.256	0.051	0.576	0.458	0.746	0.174
Compound_752	CNc1nc(NC2CCCC2)nc(n1)Cl	0.207	0.363	0.615	0.451	0.047	0.31	0.0	0.08	0.674	0.23	0.044
Compound_753	Clc1ccc2c(c1)N(CCCN1CCC(CC1)C(=O)N)c1c(S2)cccc1	0.036	0.423	0.327	0.242	0.776	0.717	0.323	0.119	0.594	0.188	0.208
Compound_754	O=C(c1cc(O)c(c(c1)O)Br)Nc1ccccc1N1CCCC1	0.803	0.576	0.577	0.659	0.554	0.657	0.059	0.991	0.532	0.393	0.209
Compound_755	CCCCNS(=O)(=O)c1cccc2c1c(O)ccc2CC	0.251	0.523	0.059	0.39	0.188	0.823	0.061	0.955	0.381	0.019	0.11
Compound_756	NCCN(CCN(CCO)CCO)CCO	0.007	0.058	0.033	0.104	0.024	0.005	0.0	0.272	0.62	0.013	0.226
Compound_757	CC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccc(cc1)Cl	0.804	0.664	0.992	0.86	0.861	0.986	0.986	0.954	0.54	0.964	0.693
Compound_758	OCC(=C)C#C	0.904	0.282	0.164	0.443	0.106	0.139	0.891	0.944	0.475	0.574	0.863
Compound_759	C=CNC(=O)ON=C1CCCCC1	0.322	0.438	0.079	0.344	0.389	0.278	0.008	0.718	0.493	0.936	0.737
Compound_760	Fc1nc(Nc2cc(cc(c2C)N)S(=O)(=O)[O-])c(c(n1)F)Cl	0.639	0.414	0.943	0.52	0.708	0.633	0.689	0.9	0.454	0.278	0.386
Compound_761	OCCC(c1ccccc1)(CCO)C	0.667	0.205	0.481	0.529	0.137	0.188	0.783	0.041	0.195	0.174	0.357
Compound_762	CNC1(CCNCC1)C(=O)N	0.019	0.25	0.003	0.156	0.001	0.002	0.0	0.006	0.186	0.001	0.088
Compound_763	CCOC(=O)N1CCC(C(C1)O)N	0.03	0.37	0.02	0.449	0.009	0.028	0.002	0.045	0.093	0.058	0.152
Compound_764	CCNC1(CCNCC1)C(=O)N	0.019	0.216	0.005	0.152	0.004	0.003	-0.0	0.002	0.164	0.023	0.111
Compound_765	O=N(=O)c1ccc2c(c1)n1CCN=c1s2	0.406	0.44	0.819	0.716	0.35	0.647	0.195	0.943	0.801	0.911	0.58
Compound_766	Clc1ccc2c(c1)nc(n2c1ccccc1)C	0.635	0.633	0.315	0.562	0.725	0.817	0.52	0.941	0.974	0.875	0.563
Compound_767	CCN(c1ccc(cc1)NCCCCS(=O)(=O)O)CC	0.195	0.368	0.551	0.325	0.137	0.46	0.002	0.274	0.266	0.011	0.398
Compound_768	CCCCCCCCCCCCCCCCN(S(=O)(=O)c1cc(OC)c(cc1OC)NC(=O)CC(=O)c1ccc(cc1)OC)C	0.373	0.587	0.486	0.452	0.538	0.646	0.23	0.114	0.405	0.648	0.179
Compound_769	Cc1cc(CNc2nc(F)nc(c2Cl)F)c(c(c1)S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.559	0.376	0.978	0.539	0.738	0.665	0.613	0.986	0.458	0.036	0.539
Compound_770	Fc1nc(NCc2cc(C)c(cc2Nc2cc(c(c3c2C(=O)c2ccccc2C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])c(c(n1)F)Cl	0.581	0.376	0.973	0.552	0.735	0.673	0.613	0.988	0.434	0.036	0.539
Compound_771	OCCN(c1ccc(c(c1)C)C(c1ccc(cc1)N(C)C)(c1ccc(cc1)N(C)C)O)CCO	0.334	0.514	0.19	0.462	0.795	0.867	0.161	0.388	0.472	0.003	0.447
Compound_772	CC1=Nc2c(C1(C)C)cc(cc2)C(=O)O	0.35	0.425	0.4	0.406	0.333	0.599	0.945	0.736	0.734	0.082	0.547
Compound_773	Oc1cc(c2ccc(c(c2)O)O)c(c2c1C(=O)c1c(C2=O)c(O)ccc1N)N	0.743	0.818	0.987	0.845	0.932	0.887	0.964	0.995	0.401	0.591	0.973
Compound_774	Oc1ccc(cc1)Nc1ccc(cc1N(=O)=O)S(=O)(=O)Nc1ccc(cc1)O	0.452	0.267	0.26	0.378	0.731	0.598	0.019	0.933	0.384	0.322	0.622
Compound_775	Oc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.532	0.39	0.829	0.445	0.882	0.729	0.817	0.86	0.47	0.018	0.269
Compound_776	CCCC(c1ccccc1)(c1ccccc1)C(=O)O	0.097	0.566	0.165	0.257	0.442	0.316	0.967	0.029	0.099	0.206	0.19
Compound_777	[O-]c1ccc(cc1)c1ccc(cc1F)F	0.962	0.6	0.925	0.793	0.641	0.571	0.997	0.846	0.773	0.958	0.931
Compound_778	CCCCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCCCC	0.883	0.01	0.131	0.752	0.759	0.489	0.999	0.914	0.504	0.996	0.915
Compound_779	CCCCCCCCCCCCSCC(=O)OCC(COC(=O)CSCCCCCCCCCCCC)(COC(=O)CSCCCCCCCCCCCC)CC	0.852	0.01	0.096	0.638	0.767	0.484	0.997	0.928	0.468	0.948	0.946
Compound_780	CCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCC	0.883	0.01	0.131	0.752	0.759	0.489	0.999	0.914	0.504	0.996	0.915
Compound_781	CCCCCCCCCCSCC(=O)OCC(COC(=O)CSCCCCCCCCCC)(COC(=O)CSCCCCCCCCCC)CC	0.852	0.01	0.096	0.638	0.767	0.484	0.997	0.928	0.468	0.948	0.946
Compound_782	C=CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.954	0.054	0.831	0.78	0.865	0.164	1.0	0.995	0.183	0.995	0.956
Compound_783	C=COC(=O)C(C(Cl)(F)F)(F)F	0.925	0.043	0.665	0.699	0.653	0.117	0.999	0.974	0.503	0.998	0.958
Compound_784	C=CCOC(=O)C(C(Cl)(F)F)(F)F	0.966	0.044	0.817	0.764	0.902	0.201	0.997	0.997	0.335	0.996	0.967
Compound_785	CCOC(=O)N1CCC(CC1)(C#N)Nc1ccccc1	0.172	0.557	0.571	0.598	0.168	0.301	0.003	0.935	0.374	0.161	0.742
Compound_786	CC(OC(=O)C1(CCNCC1)c1ccccc1)C	0.129	0.447	0.011	0.298	0.015	0.017	0.0	0.017	0.405	0.0	0.018
Compound_787	Clc1ccc(c(c1)Cl)C1(OCC(O1)COS(=O)(=O)C)Cn1cncc1	0.321	0.625	0.883	0.844	0.59	0.815	0.079	0.836	0.385	0.985	0.454
Compound_788	CCNCCc1ccc(nc1)C	0.034	0.238	0.091	0.337	0.019	0.334	0.0	0.128	0.085	0.225	0.042
Compound_789	COC(CCc1ccc(cc1)C(C)(C)C)OC	0.538	0.144	0.371	0.526	0.061	0.438	0.848	0.376	0.773	0.352	0.257
Compound_790	CCOC(CCc1ccccc1C(C)(C)C)OCC	0.651	0.254	0.749	0.531	0.139	0.41	0.977	0.806	0.486	0.998	0.785
Compound_791	CCC(=O)c1cc(ccc1C)C(C)C	0.736	0.117	0.51	0.476	0.029	0.12	0.089	0.195	0.519	0.959	0.738
Compound_792	Fc1nc(Nc2cc3c(c(c2)S(=O)(=O)[O-])c(O)ccc3S(=O)(=O)[O-])c(c(n1)F)Cl	0.607	0.339	0.994	0.566	0.688	0.684	0.923	0.982	0.527	0.752	0.63
Compound_793	OCCCNc1ccc(cc1N(=O)=O)Cl	0.719	0.294	0.959	0.547	0.605	0.131	0.003	0.548	0.368	0.023	0.599
Compound_794	COC(=O)Cc1cc(cn1C)C	0.189	0.428	0.202	0.52	0.022	0.148	0.016	0.046	0.648	0.004	0.574
Compound_795	OCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCO)OCO	0.729	0.594	0.123	0.675	0.929	0.822	0.183	0.301	0.431	0.497	0.479
Compound_796	CCCCCOC(=O)COc1ccc(cc1C)Cl	0.196	0.253	0.872	0.786	0.087	0.105	0.131	0.982	0.555	0.999	0.616
Compound_797	CCCCC1C(=O)NC(=O)N(C1=O)C1CCCCC1	0.138	0.323	0.05	0.3	0.027	0.144	0.0	0.104	0.348	0.156	0.276
Compound_798	C=CCc1cc(ccc1O)NC(=O)C	0.514	0.469	0.791	0.592	0.353	0.269	0.675	0.995	0.48	0.182	0.127
Compound_799	CCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1F)CCCCC	0.888	0.543	0.696	0.792	0.956	0.98	0.991	0.883	0.544	0.995	0.538
Compound_800	OCC(C(=O)C(CO)(CO)CO)(CO)CO	0.653	0.064	0.118	0.436	0.164	0.13	0.364	0.172	0.223	0.352	0.534
Compound_801	COCCNCCCN(C)C	0.032	0.102	0.0	0.154	0.014	0.002	0.0	0.505	0.314	0.012	0.129
Compound_802	Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(c1ccc(cc1)Cl)C(=O)N(C)C	0.142	0.613	0.17	0.586	0.433	0.469	0.016	0.165	0.425	0.361	0.304
Compound_803	c1ccc(cc1)CN1CCC(CC1)n1cnc2c1cccc2	0.16	0.601	0.246	0.263	0.401	0.846	0.215	0.1	0.442	0.181	0.092
Compound_804	NC(=O)C1(CCN(CC1)Cc1ccccc1)c1ccccc1	0.042	0.45	0.013	0.138	0.033	0.446	0.008	0.029	0.391	0.004	0.114
Compound_805	c1ccc(cc1)CNCC1(CCNCC1)c1ccccc1	0.047	0.357	0.074	0.344	0.07	0.675	0.015	0.018	0.425	0.003	0.07
Compound_806	COc1cc(NC(=O)CC(=O)C)c(cc1NC(=O)C)Cl	0.505	0.436	0.87	0.576	0.216	0.395	0.897	0.209	0.424	0.852	0.21
Compound_807	N1CC[NH+](CC1)C(c1ccccc1)c1ccccc1	0.034	0.317	0.03	0.271	0.03	0.572	0.006	0.004	0.192	0.004	0.287
Compound_808	CC=C(/C(=C\C)/c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C	0.892	0.678	0.831	0.685	0.905	0.723	0.984	0.91	0.666	0.986	0.975
Compound_809	C=COCC(COC=C)(C)C	0.823	0.064	0.292	0.502	0.202	0.09	0.995	0.761	0.684	0.989	0.891
Compound_810	C=COC(=O)C(CCC(C)(C)C)(C)C	0.737	0.019	0.236	0.507	0.239	0.037	0.959	0.987	0.256	0.99	0.679
Compound_811	CCN(c1cc(Cl)c(cc1Oc1ccc(cc1)Cl)[N+]#N)CC	0.736	0.75	0.782	0.603	0.489	0.437	0.119	0.714	0.625	0.988	0.902
Compound_812	N#[N+]c1cc(Oc2ccc(cc2)Cl)c(cc1Cl)N(C)C	0.911	0.735	0.832	0.595	0.441	0.412	0.466	0.534	0.668	0.986	0.931
Compound_813	CCCCCCCCCCCNCC(=O)O	0.049	0.07	0.019	0.147	0.097	0.003	0.0	0.008	0.317	0.032	0.035
Compound_814	Brc1cccc(c1)C(=O)NNC(=O)c1cccc(c1)Br	0.755	0.647	0.783	0.489	0.618	0.629	0.892	0.366	0.488	0.969	0.36
Compound_815	COc1ccc2c(c1Br)cccc2CC(=O)O	0.137	0.46	0.439	0.441	0.674	0.724	0.995	0.051	0.431	0.908	0.817
Compound_816	N#CC1(CC[NH+](CC1)Cc1ccccc1)[NH+]1CCCCC1	0.156	0.364	0.145	0.435	0.049	0.332	0.012	0.856	0.411	0.001	0.677
Compound_817	Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(C(=O)O)c1ccc(cc1)Cl	0.068	0.529	0.154	0.304	0.59	0.429	0.055	0.069	0.407	0.211	0.299
Compound_818	N#CC1(CCN(CC1)Cc1ccccc1)Nc1cccc(c1)Cl	0.302	0.568	0.288	0.124	0.798	0.716	0.545	0.787	0.484	0.221	0.667
Compound_819	N#CC1(CCN(CC1)Cc1ccccc1)Nc1ccccc1Cl	0.297	0.587	0.582	0.122	0.57	0.621	0.489	0.374	0.552	0.393	0.668
Compound_820	Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(C(=O)O)c1ccccc1	0.062	0.534	0.064	0.263	0.333	0.26	0.041	0.019	0.409	0.078	0.152
Compound_821	COc1ccc(cc1N(=O)=O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1	0.231	0.654	0.301	0.268	0.864	0.853	0.01	0.841	0.581	0.065	0.654
Compound_822	CCCCCCCCCCCc1nc(c([nH]1)C)C(=S)S	0.654	0.491	0.05	0.356	0.485	0.81	0.777	0.136	0.736	0.918	0.535
Compound_823	SC(=S)c1nc([nH]c1C)c1ccccc1	0.589	0.593	0.188	0.417	0.494	0.829	0.893	0.706	0.886	0.278	0.804
Compound_824	CCc1ncc([nH]1)C(=O)O	0.24	0.285	0.249	0.231	0.261	0.624	0.0	0.01	0.415	0.003	0.275
Compound_825	CCCCCCCCCCCc1ncc([nH]1)C(=O)O	0.396	0.457	0.2	0.279	0.353	0.655	0.005	0.03	0.582	0.214	0.195
Compound_826	CCCCCCCCCCCCCCCCCc1ncc([nH]1)C(=O)O	0.396	0.457	0.2	0.279	0.386	0.664	0.049	0.03	0.582	0.214	0.195
Compound_827	OC(=O)c1nc([nH]c1C)C	0.478	0.29	0.379	0.277	0.27	0.621	0.024	0.111	0.456	0.003	0.382
Compound_828	CCCCCCCCCCCc1nc(c([nH]1)C)C(=O)O	0.542	0.52	0.299	0.308	0.395	0.652	0.209	0.082	0.581	0.289	0.196
Compound_829	COc1ccc2c(c1)ccc(c2)C(=O)c1ccccc1	0.858	0.772	0.941	0.721	0.822	0.995	0.979	0.295	0.615	0.925	0.931
Compound_830	CCCCCCCCCCCCCCCCCc1ncc([nH]1)C(=S)S	0.6	0.462	0.046	0.365	0.5	0.816	0.743	0.044	0.737	0.946	0.549
Compound_831	SC(=S)c1cnc([nH]1)c1ccccc1	0.505	0.61	0.362	0.425	0.408	0.825	0.035	0.093	0.888	0.608	0.855
Compound_832	Cc1c(nc[nH]1)C(=S)S	0.55	0.388	0.053	0.293	0.249	0.795	0.004	0.116	0.631	0.687	0.926
Compound_833	SC(=S)c1nc([nH]c1C)C	0.562	0.389	0.076	0.271	0.357	0.777	0.085	0.078	0.668	0.541	0.836
Compound_834	CCc1nc(c([nH]1)C)C(=S)S	0.413	0.41	0.082	0.272	0.357	0.777	0.085	0.059	0.635	0.533	0.764
Compound_835	COc1ccc2c(c1)sc(n2)c1cc2ccc(cc2oc1=O)NS(=O)(=O)c1ccccc1	0.599	0.689	0.987	0.55	0.601	0.771	0.835	0.723	0.531	0.101	0.388
Compound_836	COc1ccc(cc1)c1nnc(o1)c1ccccc1	0.26	0.681	0.869	0.816	0.548	0.654	0.78	0.909	0.627	0.574	0.731
Compound_837	Clc1ccc(cc1Cl)c1ncc(o1)c1ccccc1	0.342	0.545	0.995	0.824	0.443	0.589	0.264	0.55	0.829	0.814	0.908
Compound_838	Clc1ccc(c(c1)Cl)C(=O)NNC(=O)c1cccc2c1cccc2	0.804	0.635	0.917	0.571	0.685	0.869	0.991	0.976	0.431	0.972	0.492
Compound_839	Cc1c(O)c(Cl)c(c(c1Br)Br)Br	0.865	0.122	0.604	0.692	0.706	0.652	0.97	0.986	0.479	0.995	0.916
Compound_840	OCCOCCOCC#CCOCCO	0.626	0.127	0.086	0.479	0.222	0.896	0.169	0.168	0.342	0.68	0.579
Compound_841	Cc1cc(c(c(c1N)C)N)C(C)(C)C	0.595	0.312	0.954	0.54	0.191	0.275	0.498	0.645	0.97	0.554	0.52
Compound_842	Brc1ccc(cc1)C(=O)NNC(=O)c1cccc2c1cccc2	0.822	0.668	0.917	0.508	0.405	0.68	0.993	0.901	0.447	0.982	0.413
Compound_843	Brc1cccc(c1)C(=O)NNC(=O)c1ccc2c(c1)cccc2	0.808	0.668	0.957	0.53	0.645	0.681	0.993	0.938	0.451	0.982	0.413
Compound_844	COc1ccc(cc1Oc1ccc(cc1)N(=O)=O)Br	0.971	0.789	0.916	0.74	0.692	0.602	0.998	0.865	0.329	0.998	0.945
Compound_845	CCCCc1ccc(cc1)OCCO	0.36	0.126	0.274	0.545	0.434	0.635	0.458	0.955	0.181	0.405	0.191
Compound_846	CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O[C@@H]1C[C@@H]2CN3CCc4c([C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)[nH]c1c4ccc(c1)OC	0.667	0.772	0.49	0.36	0.871	0.695	0.988	0.247	0.82	0.394	0.6
Compound_847	OCCCOC(=O)c1ccccc1O	0.35	0.238	0.053	0.605	0.259	0.142	0.119	0.023	0.105	0.442	0.055
Compound_848	O=C(c1ccccc1O)OCCCOC(=O)c1ccccc1O	0.347	0.595	0.154	0.653	0.786	0.639	0.963	0.062	0.198	0.467	0.859
Compound_849	O=C1NN=CC(N1)(c1ccccc1)c1ccccc1	0.422	0.647	0.914	0.338	0.119	0.551	0.277	0.068	0.41	0.003	0.444
Compound_850	O=C=Nc1ccc(cc1OC)OC	0.549	0.376	0.895	0.702	0.533	0.122	0.899	0.015	0.963	0.116	0.156
Compound_851	O=C(CC(c1ccccc1)c1ccccc1)Oc1ccccc1	0.432	0.735	0.471	0.591	0.957	0.687	1.0	0.491	0.446	0.451	0.528
Compound_852	CCc1cccc(c1Nc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)Nc1c(C)cccc1CC)C	0.268	0.67	0.946	0.482	0.902	0.717	0.996	0.722	0.511	0.541	0.906
Compound_853	Nc1nsc2c1cc(cc2)N(=O)=O	0.742	0.482	0.992	0.577	0.251	0.529	0.809	0.93	0.872	0.951	0.58
Compound_854	CN(CCOC(=O)c1ccc(cc1)N=N#N)C	0.181	0.628	0.017	0.263	0.115	0.499	0.082	0.005	0.393	0.016	0.181
Compound_855	OCCN1CCC(=O)CC1	0.104	0.189	0.087	0.134	0.011	0.056	0.005	0.056	0.102	0.031	0.011
Compound_856	CC(=O)Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Cl	0.564	0.715	0.704	0.613	0.651	0.842	0.998	0.869	0.566	0.941	0.926
Compound_857	Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O	0.582	0.554	0.857	0.693	0.889	0.875	0.93	0.988	0.884	0.999	0.918
Compound_858	OC(=O)COc1ccc2c(c1)c(=O)c1c(s2)cccc1	0.526	0.562	0.721	0.449	0.493	0.674	0.968	0.851	0.126	0.672	0.683
Compound_859	OC(=O)CSCc1ccc2c(c1)c(=O)c1c(s2)cccc1	0.652	0.558	0.729	0.408	0.827	0.893	0.999	0.929	0.461	0.931	0.383
Compound_860	COc1cccc(c1C(=O)O)Sc1ccccc1	0.232	0.649	0.243	0.302	0.619	0.568	0.805	0.027	0.53	0.147	0.553
Compound_861	CC(c1c(N(=O)=O)c(C)cc(c1N(=O)=O)C)(C)C	0.865	0.419	0.758	0.59	0.276	0.216	0.725	0.978	0.748	0.923	0.908
Compound_862	O=C1c2c(ccc(c2C(=O)c2c1c(ccc2Sc1ccccc1)Sc1ccc(cc1)C(C)(C)C)Sc1ccccc1)Sc1ccc(cc1)C(C)(C)C	0.526	0.619	0.908	0.668	0.83	0.647	0.781	0.914	0.622	0.921	0.978
Compound_863	O=C1c2c(ccc(c2C(=O)c2c1c(ccc2Sc1ccc(cc1)C(C)(C)C)Sc1ccccc1)Sc1ccc(cc1)C(C)(C)C)Sc1ccc(cc1)C(C)(C)C	0.526	0.619	0.908	0.668	0.83	0.647	0.781	0.914	0.622	0.921	0.978
Compound_864	CC(c1ccc(cc1)Sc1ccc(c2c1C(=O)c1c(ccc(c1C2=O)Sc1ccc(cc1)C(C)(C)C)Sc1ccc(cc1)C(C)(C)C)Sc1ccc(cc1)C(C)(C)C)(C)C	0.583	0.619	0.908	0.695	0.83	0.647	0.781	0.889	0.687	0.921	0.978
Compound_865	CCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2C	0.875	0.773	0.567	0.699	0.652	0.438	0.996	0.869	0.212	0.988	0.844
Compound_866	OC(=O)c1cc2ccc3c(c2cc1O)[nH]c1c3cccc1	0.367	0.67	0.821	0.39	0.956	0.778	0.97	0.832	0.697	0.174	0.83
Compound_867	O=C1C=C(C(=O)C=C1c1ccccc1)c1ccccc1	0.792	0.637	0.347	0.495	0.437	0.964	0.99	0.748	0.921	0.919	0.992
Compound_868	Cc1cc(C)c(c(c1)C)C(=O)P(=O)(c1ccccc1C)c1ccccc1C	0.66	0.385	0.89	0.543	0.859	0.275	0.997	0.336	0.816	0.816	0.777
Compound_869	CC(=O)Nc1cccc(c1C(=O)O)Sc1ccccc1	0.212	0.604	0.31	0.265	0.535	0.568	0.935	0.232	0.586	0.302	0.561
Compound_870	OCCN(CCOC(=O)c1ccccc1C(=O)O)CCO	0.06	0.165	0.047	0.17	0.043	0.019	0.091	0.02	0.511	0.093	0.17
Compound_871	Brc1c(COc2c(Br)cc(cc2Br)Br)c(Br)c(c(c1Br)COc1c(Br)cc(cc1Br)Br)Br	0.748	0.604	0.767	0.728	0.697	0.649	0.996	0.905	0.388	0.996	0.987
Compound_872	CNCCNS(=O)(=O)c1cccc2c1ccnc2	0.072	0.401	0.037	0.157	0.062	0.571	0.001	0.035	0.131	0.012	0.131
Compound_873	O=C1c2cc(ccc2C(=O)c2c1cccc2)C(C)(C)C	0.924	0.702	0.885	0.624	0.556	0.95	0.647	0.855	0.954	0.905	0.986
Compound_874	NNC(C(=O)O)(Cc1ccc(c(c1)OC)O)C	0.127	0.166	0.087	0.37	0.143	0.512	0.312	0.027	0.314	0.002	0.103
Compound_875	O=C1c2cc(ccc2C(=O)c2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O	0.649	0.465	0.921	0.369	0.862	0.704	0.616	0.733	0.408	0.816	0.17
Compound_876	BrCCn1nnn(c1=O)CC	0.2	0.367	0.316	0.612	0.044	0.216	0.001	0.688	0.555	0.422	0.432
Compound_877	CCOC(=O)N1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2	0.184	0.52	0.824	0.517	0.421	0.847	0.464	0.311	0.544	0.824	0.547
Compound_878	O=C1c2ccc(cc2C(=O)c2c1cc(cc2)S(=O)(=O)[O-])S(=O)(=O)[O-]	0.679	0.603	0.775	0.406	0.703	0.805	0.713	0.957	0.415	0.947	0.2
Compound_879	Nc1nc(OCCOc2nc(N)nc(n2)N)nc(n1)N	0.518	0.532	0.632	0.498	0.075	0.238	0.002	0.03	0.804	0.047	0.776
Compound_880	OCCOc1nc(OCCO)nc(n1)N	0.273	0.27	0.226	0.476	0.031	0.06	0.003	0.072	0.548	0.005	0.561
Compound_881	OCCOc1nc(N)nc(n1)N	0.38	0.261	0.226	0.448	0.03	0.054	0.006	0.072	0.548	0.005	0.476
Compound_882	N#[N+]c1ccc(cc1Oc1ccc(cc1)Cl)N(C)C	0.794	0.735	0.933	0.687	0.363	0.436	0.744	0.859	0.613	0.986	0.931
Compound_883	COC(=O)CC(=O)Nc1ccc(cc1)OC	0.323	0.36	0.867	0.661	0.334	0.293	0.4	0.376	0.511	0.039	0.04
Compound_884	OC(=O)CN(Cc1cc2c(cc1O)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)O)CN(CC(=O)O)C)C	0.32	0.695	0.221	0.268	0.653	0.773	0.993	0.1	0.39	0.01	0.243
Compound_885	ClCC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1	0.823	0.679	0.997	0.869	0.962	0.952	0.988	0.988	0.527	0.745	0.907
Compound_886	COc1ccccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O	0.531	0.795	0.928	0.66	0.688	0.605	0.893	0.169	0.42	0.546	0.521
Compound_887	COc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O	0.591	0.73	0.95	0.686	0.751	0.663	0.991	0.225	0.541	0.974	0.696
Compound_888	NC(=O)C(=O)c1ccco1	0.08	0.269	0.121	0.297	0.003	0.188	0.507	0.301	0.268	0.112	0.445
Compound_889	CC(c1ccc(cc1)CCc1ccccn1)C	0.085	0.466	0.387	0.439	0.114	0.745	0.027	0.622	0.833	0.022	0.509
Compound_890	COC(CSCC=C)OC	0.737	0.101	0.266	0.549	0.317	0.075	0.999	0.947	0.276	0.983	0.892
Compound_891	Clc1cccc(c1)C(=O)OOC(=O)c1cccc(c1)Cl	0.743	0.421	0.869	0.679	0.453	0.478	0.964	0.327	0.536	0.931	0.903
Compound_892	O=C1C=CC(=O)N1C1CC(C)(C)NC(C1)(C)C	0.153	0.495	0.119	0.453	0.022	0.21	0.0	0.252	0.477	0.889	0.374
Compound_893	CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C1CCC(CC1)CCC	0.864	0.521	0.213	0.595	0.912	0.933	0.953	0.626	0.363	0.988	0.521
Compound_894	CCC(=O)Oc1cc2c([nH]1)cccc2	0.706	0.389	0.851	0.577	0.726	0.678	0.714	0.653	0.155	0.188	0.622
Compound_895	OCCCCOC(=O)N	0.141	0.167	0.012	0.322	0.048	0.113	0.242	0.005	0.083	0.004	0.103
Compound_896	C=COS(=O)(=O)c1ccc(c(c1)C)Cl	0.79	0.606	0.847	0.642	0.509	0.687	0.989	0.429	0.374	0.997	0.154
Compound_897	OC(=O)COc1ccc(cc1N)N	0.229	0.431	0.533	0.248	0.167	0.22	0.83	0.08	0.236	0.014	0.255
Compound_898	OCCN(CC(C(C(C(CO)O)O)O)O)CCO	0.107	0.094	0.119	0.132	0.031	0.066	0.007	0.195	0.517	0.196	0.071
Compound_899	Cc1ccc(c(c1O)Cl)N	0.44	0.462	0.905	0.605	0.704	0.311	0.994	0.956	0.795	0.766	0.971
Compound_900	CC(=Nc1c(Cl)ccc(c1Cl)O)C	0.685	0.375	0.346	0.526	0.54	0.425	0.852	0.053	0.77	0.618	0.831
Compound_901	Oc1c(C)cc(c2c1CCC2)C	0.579	0.481	0.353	0.581	0.346	0.775	0.355	0.684	0.883	0.886	0.527
Compound_902	ClCc1ccc(c(c1)N(=O)=O)C	0.939	0.131	0.834	0.731	0.591	0.402	1.0	0.993	0.666	0.99	0.945
Compound_903	COC(=O)c1ccccc1NC(=O)C(C)(C)C	0.388	0.508	0.899	0.468	0.093	0.297	0.443	0.085	0.438	0.021	0.281
Compound_904	CCCCCCCCCCCCCCCCCCN(C(=O)C(C)C)C(C(=O)O)CC(=O)Nc1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl	0.718	0.713	0.816	0.551	0.532	0.759	0.922	0.393	0.407	0.959	0.191
Compound_905	Cc1ccc(cc1)C(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)c(ccc1O)NC(=O)c1ccc(cc1)C)O	0.759	0.83	0.993	0.785	0.949	0.876	0.902	0.927	0.581	0.786	0.79
Compound_906	CSCCCOC(=O)C(C)C	0.358	0.03	0.194	0.629	0.251	0.049	0.991	0.59	0.259	0.428	0.816
Compound_907	CSCCCOC(=O)CC(C)C	0.406	0.026	0.741	0.616	0.218	0.032	0.992	0.835	0.413	0.963	0.869
Compound_908	COc1cc(NC(=O)C)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.486	0.799	0.936	0.606	0.51	0.379	0.996	0.297	0.632	0.308	0.865
Compound_909	Oc1c(nc2c(c1Br)c(Br)c(cc2)Br)C1C(=O)c2c(C1=O)cccc2	0.414	0.697	0.967	0.498	0.66	0.652	0.965	0.996	0.801	0.459	0.961
Compound_910	Nc1ccc(c(c1C)N)N=Nc1cccc(c1C)c1ccc(c(c1N)C)N	0.948	0.811	0.985	0.809	0.836	0.825	0.984	0.987	0.871	0.971	0.799
Compound_911	CNc1ccc(c2c1C(=O)c1c(O)cc(c(c1C2=O)N)Br)O	0.684	0.712	0.993	0.707	0.692	0.644	0.653	0.993	0.497	0.91	0.95
Compound_912	CCC(=O)Nc1cc(OC)c(c2c1C(=O)c1ccccc1C2=O)N	0.452	0.74	0.739	0.559	0.552	0.39	0.986	0.39	0.404	0.148	0.704
Compound_913	CC1=NN(C(=O)C1)c1cc(Cl)c(cc1Cl)S(=O)(=O)O	0.447	0.418	0.953	0.366	0.694	0.653	0.823	0.344	0.407	0.241	0.268
Compound_914	N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl	0.948	0.494	0.364	0.703	0.859	0.315	0.967	0.999	0.652	0.972	0.987
Compound_915	CC1(C)CSc2c(N1)ccc(c2)Cc1ccc2c(c1)SCC(N2)(C)C	0.479	0.612	0.993	0.491	0.852	0.707	0.91	0.877	0.32	0.641	0.529
Compound_916	Oc1c(Br)ccc2c1ccc(c2O)Br	0.978	0.663	0.77	0.55	0.653	0.655	0.981	0.911	0.859	0.999	1.001
Compound_917	N#CCc1cccc(c1)C(C)(C)C	0.719	0.125	0.599	0.579	0.34	0.112	0.497	0.831	0.928	0.35	0.53
Compound_918	N#[N+]c1ccc(c(c1)Cl)N1CCCCCC1	0.833	0.48	0.244	0.584	0.518	0.6	0.977	0.98	0.706	0.691	0.5
Compound_919	Oc1ccc2c(c1)c(ccc2)NCC(=O)N1CCOCC1	0.157	0.519	0.733	0.521	0.738	0.429	0.006	0.258	0.408	0.036	0.453
Compound_920	CCC(=O)Oc1ccc(cc1)CCC(=O)C	0.616	0.156	0.384	0.674	0.374	0.202	0.882	0.632	0.368	0.23	0.236
Compound_921	CC(CC(=O)OCc1ccc2c(c1)OCO2)C	0.567	0.298	0.994	0.565	0.357	0.22	0.968	0.966	0.198	0.992	0.729
Compound_922	COC(=O)c1ccccc1NC(=O)CC(C)C	0.293	0.43	0.879	0.471	0.081	0.264	0.419	0.053	0.573	0.018	0.059
Compound_923	C=CCc1ccc(c(c1)OC)OC(=O)C(C)C	0.647	0.304	0.844	0.682	0.422	0.055	0.709	0.931	0.07	0.965	0.105
Compound_924	CC(CC(=O)C1=CCCCC1)C	0.992	0.249	0.916	0.608	0.166	0.046	0.535	0.948	0.604	0.999	0.734
Compound_925	CCC(=O)c1cccc(c1)N1CCNCC1	0.098	0.37	0.039	0.232	0.021	0.084	0.0	0.618	0.235	0.053	0.213
Compound_926	O=C(N(C1CCCCC1)C1CCCCC1)N1CCOCC1	0.284	0.284	0.117	0.52	0.259	0.725	0.142	0.325	0.433	0.895	0.223
Compound_927	Clc1ccc(c(c1)Cl)C1(CC1)C(=O)[O-]	0.433	0.35	0.517	0.562	0.82	0.203	0.977	0.414	0.336	0.96	0.914
Compound_928	CCCCCCCOC(=O)c1ccc(cc1)N(C)C	0.731	0.714	0.967	0.591	0.124	0.885	0.775	0.62	0.837	0.357	0.646
Compound_929	CCCCCCOC(=O)c1ccc(cc1)N(C)C	0.652	0.714	0.967	0.591	0.091	0.889	0.797	0.62	0.776	0.357	0.646
Compound_930	CC(CCCOC(=O)c1ccc(cc1)N(C)C)C	0.608	0.716	0.993	0.608	0.093	0.898	0.836	0.113	0.469	0.005	0.352
Compound_931	Oc1cc(Br)c(cc1Oc1ccc(cc1)N(=O)=O)Br	0.975	0.755	0.942	0.724	0.696	0.649	0.992	0.997	0.266	0.999	0.962
Compound_932	Brc1ccc(c(c1)Oc1ccc(cc1)N(=O)=O)O	0.967	0.755	0.787	0.765	0.697	0.614	0.984	0.982	0.332	0.999	0.962
Compound_933	COc1cc(Br)c(cc1Oc1ccc(cc1)N(=O)=O)Br	0.968	0.789	0.961	0.725	0.692	0.649	0.998	0.962	0.257	0.998	0.945
Compound_934	Cc1cc(c(c(c1O)Sc1c(O)c(C)cc(c1C)C(C)(C)C)C)C(C)(C)C	0.433	0.44	0.571	0.614	0.643	0.73	0.302	0.272	0.862	0.997	0.941
Compound_935	Cc1c(Cc2cc(c(c(c2C)C)O)C(C)(C)C)cc(c(c1C)O)C(C)(C)C	0.765	0.525	0.3	0.55	0.822	0.991	0.395	0.946	0.959	0.993	0.924
Compound_936	Clc1ccc(c(c1)Cl)Cc1ccc(cc1Cl)Cl	0.819	0.388	0.73	0.646	0.941	0.848	0.958	0.921	0.41	0.999	0.836
Compound_937	Clc1cccc(c1Cc1c(Cl)cccc1Cl)Cl	0.902	0.388	0.751	0.617	0.902	0.816	0.976	0.972	0.521	0.999	0.836
Compound_938	Clc1ccc(c(c1)C)Cc1ccc(cc1C)Cl	0.765	0.342	0.833	0.628	0.691	0.459	0.957	0.924	0.862	0.991	0.657
Compound_939	Cc1cccc(c1Cc1c(C)cccc1Cl)Cl	0.65	0.342	0.627	0.539	0.722	0.251	0.943	0.954	0.82	0.991	0.657
Compound_940	CCCCCCCN1CN(CCCCCCC)CN(C1)CCCCCCC	0.614	0.415	0.053	0.127	0.048	0.499	0.76	0.757	0.911	0.553	0.065
Compound_941	O=C(C1(CCN(CC1)Cc1ccccc1)c1ccccc1)c1ccccc1	0.077	0.449	0.109	0.135	0.296	0.836	0.043	0.235	0.256	0.056	0.228
Compound_942	Clc1ccc2c(c1)[nH]c(=S)n2C1CCNCC1	0.375	0.361	0.135	0.328	0.144	0.768	0.004	0.048	0.792	0.202	0.109
Compound_943	CCCCCc1nccc(c1)C	0.211	0.276	0.342	0.525	0.046	0.474	0.0	0.559	0.618	0.225	0.262
Compound_944	O=Cc1c(OC(=O)C)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C	0.614	0.72	0.134	0.631	0.931	0.688	0.229	0.943	0.74	0.124	0.763
Compound_945	CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1	0.935	0.43	0.348	0.568	0.21	0.157	0.985	0.231	0.641	0.984	0.831
Compound_946	CCc1occc(=S)c1O	0.763	0.303	0.161	0.381	0.358	0.949	0.993	0.201	0.721	0.602	0.224
Compound_947	OCCNCC(CN(C)C)(C)C	0.01	0.096	0.0	0.164	0.013	0.006	0.0	0.594	0.03	0.006	0.113
Compound_948	O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.979	0.865	0.121	0.534	0.791	0.793	0.025	0.465	0.097	0.978	0.909
Compound_949	Nc1ccc(c(c1)C)c1ccc(cc1C)N	0.846	0.664	0.97	0.806	0.342	0.659	0.962	0.984	0.892	0.922	0.898
Compound_950	O=C1c2c(cccc2C(=O)c2c1cccc2Sc1ccccc1)Sc1ccc(cc1)C(C)(C)C	0.532	0.619	0.908	0.668	0.895	0.834	0.808	0.914	0.617	0.921	0.978
Compound_951	CC(CCCCCCCCCCOS(=O)(=O)[O-])C	0.985	0.04	0.262	0.354	0.06	0.059	0.994	0.666	0.065	0.962	0.345
Compound_952	CCCCCCCCC#CC(OCC)OCC	0.911	0.158	0.449	0.515	0.114	0.856	0.998	0.943	0.657	0.999	0.687
Compound_953	CCCCCCCCCOCC=O	0.943	0.084	0.1	0.551	0.04	0.587	0.999	0.843	0.865	0.999	0.827
Compound_954	CCCCc1cccc2c1nccc2	0.223	0.543	0.718	0.543	0.095	0.116	0.04	0.5	0.582	0.834	0.805
Compound_955	C=CCOc1c(C=O)cccc1CC=C	0.433	0.479	0.747	0.609	0.08	0.392	0.573	0.957	0.386	0.984	0.727
Compound_956	O=Cc1ccc(cc1)CCC(C)C	0.739	0.104	0.534	0.52	0.054	0.507	0.972	0.618	0.373	0.821	0.242
Compound_957	COCC(=O)OCCc1ccccc1	0.407	0.177	0.673	0.664	0.025	0.045	0.998	0.836	0.72	0.931	0.243
Compound_958	O=N(=O)c1ccc(c(c1)CS(=O)(=O)N)Oc1ccccc1	0.678	0.699	0.284	0.458	0.586	0.934	0.769	0.185	0.477	0.023	0.638
Compound_959	OC(=O)C1(CCCCC1)c1ccc(cc1)C	0.093	0.348	0.28	0.24	0.239	0.261	0.34	0.039	0.185	0.711	0.092
Compound_960	OCCC(c1ccccc1)(CCO)CC	0.667	0.196	0.481	0.507	0.137	0.188	0.783	0.033	0.204	0.403	0.731
Compound_961	Oc1cccc2c1c(=O)c1c(s2)cccc1	0.75	0.832	0.962	0.668	0.826	0.959	0.971	0.962	0.731	0.965	0.825
Compound_962	COc1cccc2c1c(=O)c1c(s2)cccc1	0.711	0.824	0.981	0.632	0.534	0.928	0.939	0.792	0.735	0.837	0.848
Compound_963	O=N(=O)c1ccc(c(c1)NC(=O)c1ccccc1)c1ccc(cc1)N(=O)=O	0.957	0.599	0.967	0.759	0.732	0.913	0.993	0.841	0.672	0.972	0.374
Compound_964	CC(=O)OC1CC2(C)C(C(=O)COC(=O)C)C(CC2C2C1C1(C)C=CC(=O)C=C1CC2)C	0.924	1.0	0.493	0.859	0.618	0.946	0.155	0.243	0.16	0.933	0.095
Compound_965	Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N	0.947	0.753	0.978	0.843	0.884	0.913	0.998	0.98	0.984	0.961	0.865
Compound_966	CC(OCCOCCOCCOCCOC(C)C)C	0.758	0.051	0.309	0.508	0.141	0.111	0.993	0.369	0.86	0.985	0.863
Compound_967	CC(OCCOCCOCCOC(C)C)C	0.758	0.051	0.309	0.508	0.141	0.111	0.993	0.369	0.86	0.985	0.863
Compound_968	Clc1c(cccc1Cl)Oc1nc2c(s1)cccc2Cl	0.87	0.584	0.986	0.655	0.701	0.668	0.842	0.989	0.951	0.996	0.901
Compound_969	CCCCCCCCCCCCc1ccc(cc1)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1ccccc1	0.751	0.585	0.975	0.543	0.709	0.844	0.964	0.654	0.441	0.779	0.506
Compound_970	Oc1ccc(c(c1S(=O)(=O)O)Cl)Cl	0.505	0.431	0.942	0.471	0.734	0.656	0.3	0.77	0.428	0.905	0.11
Compound_971	CCOc1cc(Cl)ccc1Cl	0.649	0.188	0.859	0.676	0.59	0.418	0.782	0.178	0.6	0.995	0.852
Compound_972	COCCOC(=O)c1ccc(cc1)O	0.55	0.121	0.966	0.689	0.872	0.845	0.942	0.012	0.877	0.129	0.094
Compound_973	NCc1ccc(cc1)OC(C)(C)C	0.331	0.127	0.088	0.614	0.043	0.751	0.008	0.009	0.388	0.029	0.048
Compound_974	COCCc1ccc(cc1)OC(C)(C)C	0.408	0.239	0.235	0.631	0.456	0.778	0.775	0.137	0.552	0.451	0.273
Compound_975	O=C(OCc1ccccc1)NCCCCC(C(=O)NCC(=O)NCC(=O)O)NC(=O)OCc1ccccc1	0.094	0.531	0.086	0.253	0.11	0.66	0.098	0.48	0.359	0.559	0.36
Compound_976	Nc1nc(NC2CCCC2)nc(n1)Cl	0.169	0.339	0.563	0.462	0.059	0.402	0.0	0.096	0.695	0.15	0.026
Compound_977	CCNc1nc(NC2CCCC2)nc(n1)N=N#N	0.358	0.49	0.577	0.341	0.075	0.524	0.0	0.252	0.622	0.09	0.303
Compound_978	CNc1nc(NC2CCCC2)nc(n1)SC	0.743	0.301	0.631	0.397	0.06	0.276	0.0	0.028	0.606	0.234	0.216
Compound_979	CC(Nc1nc(NC2CCCC2)nc(n1)Cl)C	0.239	0.331	0.609	0.489	0.059	0.329	0.0	0.219	0.505	0.075	0.022
Compound_980	CCNc1nc(NC2CCCCC2)nc(n1)Cl	0.306	0.334	0.453	0.401	0.066	0.447	0.0	0.388	0.616	0.309	0.096
Compound_981	CCNc1nc(NC2CCCC2)nc(n1)SC	0.776	0.274	0.491	0.35	0.06	0.276	0.0	0.149	0.571	0.592	0.294
Compound_982	CCN(c1nc(NC2CCCC2)nc(n1)Cl)C(=O)C	0.188	0.39	0.471	0.559	0.027	0.403	0.0	0.254	0.609	0.369	0.077
Compound_983	O=C=NC1CC(C)(C)NC(C1)(C)C	0.182	0.372	0.275	0.381	0.004	0.127	-0.0	0.109	0.266	0.211	0.071
Compound_984	CC(=O)NCSCC(C(=O)O)NC(=O)OC=C	0.041	0.221	0.033	0.176	0.439	0.04	0.007	0.157	0.305	0.508	0.52
Compound_985	CC(CCCCCC1(O)CCCCC1)C	0.917	0.223	0.318	0.517	0.114	0.035	0.832	0.312	0.156	0.47	0.213
Compound_986	CCCCCCCCCC(=O)OCCCCCC(C)C	0.871	0.012	0.658	0.726	0.087	0.048	0.998	0.537	0.171	0.996	0.89
Compound_987	CCCCCCCCCCCC(=O)OCCCCCC(C)C	0.871	0.012	0.658	0.726	0.087	0.048	0.998	0.537	0.171	0.996	0.89
Compound_988	O=C1c2cccc(c2C(=O)c2c1c(cc(c2Cl)N(=O)=O)N(=O)=O)Cl	0.913	0.758	0.883	0.731	0.76	0.629	0.992	0.997	0.404	0.998	0.986
Compound_989	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)OC	0.815	0.219	0.384	0.588	0.736	0.203	0.994	0.96	0.37	0.957	0.168
Compound_990	O=C(OCCCC1CCCCC1)CCCCC(=O)OCCCC1CCCCC1	0.848	0.311	0.203	0.686	0.275	0.414	0.99	0.816	0.347	0.995	0.839
Compound_991	CCCCOC(=O)C1CCC(CC1)C(C)(C)C	0.898	0.104	0.158	0.612	0.198	0.041	0.832	0.481	0.604	0.987	0.595
Compound_992	CC(=O)OC1(CCCCC1)c1ccccn1	0.288	0.529	0.171	0.513	0.123	0.178	0.002	0.989	0.625	0.247	0.376
Compound_993	COc1ccc(cc1)c1nnc(o1)c1ccc(cc1)OC	0.254	0.662	0.869	0.815	0.585	0.659	0.873	0.928	0.618	0.227	0.765
Compound_994	C=COS(=O)(=O)c1ccc(cc1)Cl	0.869	0.464	0.737	0.635	0.492	0.659	0.988	0.831	0.333	0.991	0.188
Compound_995	NCCCC(C(=O)OCC)N	0.041	0.067	0.049	0.361	0.016	0.003	0.0	0.001	0.187	0.008	0.066
Compound_996	CCCCCCCCCCCCCCOC(=O)CCCCCC(C)C	0.871	0.012	0.658	0.726	0.087	0.048	0.998	0.537	0.171	0.996	0.89
Compound_997	COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)O	0.476	0.685	0.141	0.62	0.992	0.973	0.701	0.043	0.477	0.31	0.924
Compound_998	NC(=S)Nc1ccc(cc1)S(=O)(=O)C	0.608	0.075	0.542	0.395	0.166	0.454	0.251	0.065	0.365	0.188	0.143
Compound_999	CCOC(=O)C(NC(=O)OC(C)(C)C)CCCN=C(N)N	0.024	0.06	0.042	0.4	0.058	0.057	0.003	0.05	0.363	0.094	0.139
Compound_1000	ClCc1ccc(cc1)CNC(=O)C=C	0.211	0.182	0.789	0.56	0.045	0.626	0.034	0.985	0.9	0.824	0.731