Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	C1CCC(OC1)n1cccn1	0.724	0.463	0.626	0.522	0.137	0.209	0.057	0.529	0.731	0.008	0.209
Compound_2	Clc1ccc(c(c1)N)O	0.704	0.59	0.956	0.51	0.403	0.143	0.865	0.951	0.942	0.827	0.991
Compound_3	Clc1cc(ccc1Oc1ccc(c(c1)O)N)C(F)(F)F	0.894	0.592	0.973	0.704	0.933	0.682	0.968	0.978	0.548	0.929	0.997
Compound_4	Cc1cc2NCCCCCCCCCCNc3cc([n+](CCCCCCCCCC[n+]1c1c2cccc1)c1ccccc31)C	0.103	0.448	0.877	0.663	0.857	0.966	0.22	0.248	0.763	0.005	0.466
Compound_5	Brc1cc(c(c(c1Br)Br)Br)C1(C)CC(c2c1c(Br)c(Br)c(c2Br)Br)(C)C	0.864	0.549	0.252	0.517	0.611	0.363	0.715	0.992	0.558	0.999	0.859
Compound_6	CN(c1nc(=O)c2c([nH]1)nc[nH]2)C	0.082	0.429	0.088	0.332	0.132	0.731	0.001	0.279	0.347	0.025	0.128
Compound_7	COc1c(Cl)cc(cc1Cl)N(=O)=O	0.947	0.263	0.904	0.709	0.63	0.515	0.995	0.938	0.624	0.997	0.949
Compound_8	FC(c1ccc(cc1)N)(F)F	0.866	0.297	0.912	0.643	0.274	0.369	0.989	0.904	0.856	0.926	0.5
Compound_9	CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)N(C(C1)(C)C)C	0.814	0.541	0.053	0.404	0.021	0.459	0.122	0.587	0.57	0.66	0.446
Compound_10	CN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O	0.166	0.682	0.946	0.427	0.314	0.533	0.003	0.971	0.172	0.089	0.087
Compound_11	CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1	0.355	0.469	0.312	0.534	0.243	0.344	0.114	0.079	0.498	0.408	0.267
Compound_12	CC(NCCC(C)C)CCCC(C)C	0.139	0.088	0.138	0.18	0.016	0.05	0.001	0.031	0.159	0.05	0.092
Compound_13	OP(=O)(O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O	0.767	0.222	0.047	0.276	0.528	0.446	0.732	0.024	0.363	0.15	0.306
Compound_14	FC(=C(F)F)OC(C(C(F)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F)(F)F	0.611	0.38	0.601	0.617	0.242	0.092	0.942	0.966	0.344	0.95	0.619
Compound_15	Oc1c(ccc(c1O)C(C)C)c1ccc(cc1)C(C)C	0.77	0.466	0.893	0.761	0.782	0.255	0.56	0.962	0.492	0.981	0.673
Compound_16	CCCCC(CO)(CO)CC	0.871	0.118	0.113	0.562	0.077	0.115	0.896	0.733	0.373	0.645	0.649
Compound_17	O=C(C=Cc1ccccc1)OCc1ccccc1	0.874	0.747	0.82	0.721	0.476	0.826	0.999	0.982	0.263	0.927	0.919
Compound_18	CCOC(=O)C=CC(=O)OCC	0.962	0.1	0.791	0.758	0.721	0.392	0.999	0.989	0.827	0.996	0.945
Compound_19	O[C@H]1CC2CCC([C@H]1C(=O)O)N2C	0.337	0.331	0.003	0.086	0.013	0.056	0.005	0.363	0.019	0.047	0.052
Compound_20	COc1c(Cl)cccc1Cl	0.915	0.172	0.863	0.676	0.238	0.154	0.977	0.076	0.556	0.99	0.752
Compound_21	NCCCC12CCC(c3c1cccc3)c1c2cccc1	0.127	0.394	0.119	0.328	0.462	0.746	0.811	0.006	0.29	0.023	0.197
Compound_22	CC1(C)O[C@H]2[C@@H](O1)O[C@@H]([C@@H]2OCc1ccccc1)[C@H](OCc1ccccc1)COCc1ccccc1	0.253	0.522	0.628	0.548	0.705	0.841	0.917	0.397	0.201	0.884	0.805
Compound_23	CC(CCCCCC(=O)NCCCCCC(=O)O)C	0.108	0.045	0.066	0.1	0.01	0.019	0.002	0.044	0.383	0.004	0.032
Compound_24	Cc1ccc(cc1)N1N=C(CC1=O)C	0.69	0.306	0.799	0.524	0.084	0.367	0.943	0.033	0.413	0.009	0.286
Compound_25	CCC(CC(=O)CC)C	0.944	0.026	0.186	0.442	0.037	0.01	0.952	0.497	0.225	0.999	0.895
Compound_26	CCN(CCCOC(=O)C1(CC2CC1CC2)c1ccccc1)CC	0.113	0.577	0.03	0.305	0.14	0.225	0.031	0.452	0.295	0.195	0.456
Compound_27	CN(CCOC(=O)COc1ccc(cc1)Cl)C	0.015	0.357	0.073	0.183	0.063	0.083	0.008	0.777	0.348	0.244	0.045
Compound_28	O=C(c1ccccc1C(=O)O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1	0.053	0.481	0.108	0.371	0.261	0.609	0.676	0.019	0.282	0.017	0.092
Compound_29	NCCCCCCCC(CCC)CC	0.321	0.037	0.054	0.366	0.025	0.046	0.003	0.025	0.589	0.923	0.081
Compound_30	Cc1cccc2c1ccc1c2cccc1	0.952	0.562	0.932	0.627	0.507	0.551	0.995	0.994	0.932	0.999	0.918
Compound_31	O=C1NCCCN1	0.055	0.228	0.095	0.26	0.01	0.014	0.0	0.374	0.793	0.035	0.053
Compound_32	CC(Br)C	0.881	0.098	0.523	0.623	0.156	0.026	0.995	0.99	0.837	0.998	0.851
Compound_33	CCCCCCCl	0.98	0.043	0.309	0.704	0.214	0.118	0.999	0.997	0.123	1.0	0.907
Compound_34	CC(CC(CC(CC(C)C)O)C)C	0.924	0.065	0.403	0.435	0.079	0.037	0.89	0.193	0.227	0.65	0.425
Compound_35	ClC(=O)C(F)(F)F	0.927	0.078	0.407	0.661	0.31	0.104	0.938	0.992	0.511	0.999	0.988
Compound_36	CC(CCCCCCCOP(Oc1ccccc1)OCCCCCCCC(C)C)C	0.944	0.351	0.861	0.659	0.488	0.06	0.989	0.685	0.241	0.995	0.396
Compound_37	Cc1ncoc1C(=O)N	0.13	0.242	0.139	0.242	0.145	0.477	0.015	0.015	0.751	0.017	0.339
Compound_38	CCCCC(C(=O)Nc1ccc(c(c1)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.678	0.601	0.867	0.709	0.786	0.513	0.926	0.785	0.423	0.38	0.474
Compound_39	CCCCCOC(=O)c1c(O)c(Cl)cc(c1Cl)Cl	0.752	0.308	0.697	0.714	0.846	0.692	0.693	0.989	0.527	0.899	0.709
Compound_40	CC(Oc1cc(N)c(cc1Cl)Cl)C	0.536	0.272	0.95	0.593	0.297	0.653	0.972	0.712	0.769	0.895	0.797
Compound_41	CCCC=O	0.817	0.115	0.248	0.518	0.028	0.169	0.997	0.789	0.796	0.985	0.837
Compound_42	COc1c(Br)cc(c(c1Br)C)Br	0.88	0.154	0.822	0.732	0.68	0.659	0.988	0.098	0.385	0.982	0.824
Compound_43	NCc1ccc(cc1)OC	0.463	0.089	0.558	0.647	0.011	0.598	0.005	0.004	0.493	0.084	0.052
Compound_44	CN(Cc1ccccc1)CCOC(=O)C=C(N)C	0.036	0.332	0.105	0.302	0.072	0.272	0.002	0.583	0.755	0.157	0.174
Compound_45	CC(c1ccc(c(c1O)C(=O)O)C)C	0.191	0.191	0.068	0.309	0.228	0.296	0.049	0.013	0.769	0.586	0.056
Compound_46	OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C	0.23	0.085	0.034	0.237	0.093	0.054	0.431	0.014	0.215	0.001	0.001
Compound_47	COCCc1ccc(cc1)OCC(CN(C(C)C)N=O)O	0.026	0.483	0.026	0.468	0.154	0.517	0.002	0.798	0.219	0.043	0.195
Compound_48	COc1ccc(cc1NC(=O)CC(=O)C)Cl	0.541	0.381	0.978	0.61	0.215	0.238	0.386	0.183	0.453	0.406	0.115
Compound_49	CCN(CCOC(=O)C(c1ccccc1)(c1ccccc1)O)CC	0.024	0.537	0.13	0.146	0.144	0.085	0.003	0.011	0.202	0.002	0.084
Compound_50	ClCC(=O)Nc1c(C)cc(cc1C)C	0.699	0.345	0.852	0.607	0.804	0.147	0.999	0.962	0.623	0.79	0.675
Compound_51	CC(=C)OC(=O)C	0.793	0.163	0.348	0.557	0.161	0.004	0.98	0.985	0.971	0.998	0.879
Compound_52	CC(=CC=CC(=O)C)CCC=C(C)C	0.874	0.053	0.908	0.599	0.21	0.069	0.453	0.922	0.95	0.997	0.945
Compound_53	COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)O	0.956	0.638	0.33	0.8	0.95	0.984	0.954	0.049	0.172	0.427	0.985
Compound_54	C=CC(=O)OCCCCOC(=O)Oc1ccc(cc1)C(=O)O	0.831	0.289	0.22	0.57	0.777	0.833	0.813	0.958	0.472	0.937	0.393
Compound_55	OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.021	0.037	0.014	0.029	0.168	0.007	0.002	0.873	0.95	0.072	0.347
Compound_56	OC(=O)c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O	0.607	0.08	0.375	0.354	0.053	0.098	0.954	0.377	0.765	0.083	0.393
Compound_57	OCC1OC(C(C1O)O)n1cnc2c1[nH]c(=O)[nH]c2=O	0.338	0.466	0.022	0.356	0.082	0.138	0.002	0.384	0.081	0.036	0.819
Compound_58	OC(=O)C1NCC(C1)C1CCCCC1	0.048	0.217	0.008	0.143	0.085	0.006	0.001	0.006	0.122	0.001	0.026
Compound_59	N1CCNCCNCCNCC1	0.04	0.104	0.038	0.368	0.029	0.006	0.0	0.022	0.107	0.038	0.531
Compound_60	Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O	0.252	0.592	0.457	0.66	0.698	0.651	0.291	0.518	0.95	0.985	0.396
Compound_61	OOC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2	0.492	0.482	0.597	0.495	0.026	0.282	0.23	0.372	0.169	0.518	0.101
Compound_62	CC(CC(C)(C)C)CC(=O)Oc1ccc(cc1)S(=O)(=O)O	0.623	0.367	0.567	0.363	0.494	0.449	0.147	0.168	0.19	0.145	0.174
Compound_63	OCCNP(=O)(OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.366	0.156	0.735	0.548	0.556	0.239	0.13	0.165	0.181	0.012	0.253
Compound_64	O=Cc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F	0.562	0.399	0.525	0.78	0.271	0.518	0.546	0.104	0.762	0.017	0.477
Compound_65	COC(=O)CCC(C1CCC2C1(C)C(=O)CC1C2C(OC(=O)C)CC2C1(C)CCC(C2)OC(=O)C)C	0.856	0.807	0.017	0.544	0.861	0.868	0.105	0.618	0.282	0.946	0.733
Compound_66	NCCCCCN	0.102	0.035	0.057	0.386	0.011	0.019	0.001	0.004	0.446	0.103	0.259
Compound_67	Fc1ncc(cc1F)C(F)(F)F	0.566	0.361	0.913	0.761	0.118	0.104	0.721	0.747	0.828	0.912	0.335
Compound_68	O=C1OC(C(O1)(Cl)Cl)(Cl)Cl	0.847	0.255	0.64	0.635	0.31	0.357	0.955	0.999	0.511	0.926	0.354
Compound_69	OC(=O)CCCl	0.552	0.045	0.081	0.433	0.304	0.038	0.99	0.957	0.511	0.027	0.624
Compound_70	CC(Cc1ccccc1F)N	0.201	0.127	0.479	0.441	0.011	0.084	0.011	0.047	0.659	0.444	0.022
Compound_71	OC(=O)CC(CC(C)(C)C)(C)C	0.505	0.014	0.035	0.11	0.12	0.015	0.609	0.111	0.177	0.053	0.197
Compound_72	OCC(COc1ccc(cc1)Cc1ccc(cc1)OCC(CO)O)O	0.191	0.503	0.059	0.464	0.795	0.908	0.395	0.024	0.246	0.536	0.383
Compound_73	O=C(CCc1cc(C)c(c(c1)C(C)(C)C)O)OCCOCCOCCOC(=O)CCc1cc(C)c(c(c1)C(C)(C)C)O	0.672	0.61	0.274	0.686	0.879	0.991	0.693	0.907	0.775	0.938	0.894
Compound_74	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_75	Oc1ccccc1c1cccc(c1O)O	0.963	0.685	0.977	0.808	0.729	0.053	0.947	0.991	0.817	0.921	0.809
Compound_76	Nc1ccc(c(c1)N)C	0.638	0.286	0.956	0.549	0.094	0.17	0.971	0.886	0.857	0.863	0.545
Compound_77	Nc1ncc(cc1Cl)C(F)(F)F	0.415	0.494	0.709	0.652	0.106	0.185	0.777	0.513	0.869	0.837	0.042
Compound_78	CCCCCCCCCCCCCCC(c1cc(cc(c1O)C)C(C)(C)C)C	0.795	0.326	0.109	0.584	0.441	0.977	0.219	0.553	0.953	0.994	0.869
Compound_79	OCCNc1ccccc1	0.423	0.32	0.82	0.377	0.086	0.055	0.006	0.41	0.211	0.013	0.451
Compound_80	OC(=O)CC1NC(=O)CNC(=O)C(CCCCN=C(N)N)NC(=O)CCSSCC(NC(=O)C2N(C(=O)C(NC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(=O)N	0.668	0.437	0.013	0.232	0.556	0.675	0.381	0.045	0.335	0.055	0.5
Compound_81	CONC(=O)Nc1ccc(c(c1)Cl)Cl	0.916	0.449	0.999	0.754	0.439	0.702	0.989	0.934	0.504	0.961	0.551
Compound_82	ClC(N(=O)=O)(Br)Br	0.816	0.104	0.353	0.599	0.653	0.214	0.909	0.995	0.892	0.989	0.884
Compound_83	CCCCSc1ccc(cc1)C(c1ccccc1)SCCN(C)C	0.163	0.358	0.007	0.207	0.697	0.691	0.885	0.272	0.322	0.134	0.189
Compound_84	CC1OC(C)OC(C1)OC(=O)C	0.814	0.247	0.23	0.636	0.042	0.048	0.919	0.996	0.8	0.471	0.233
Compound_85	NC(C1(CCC1)c1ccc(cc1)Cl)CC(C)C	0.218	0.176	0.672	0.499	0.407	0.64	0.005	0.028	0.391	0.082	0.067
Compound_86	CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C	0.839	0.536	0.914	0.63	0.961	0.487	0.98	0.814	0.764	0.97	0.666
Compound_87	NNc1nncc2c1cccc2	0.053	0.904	0.984	0.563	0.128	0.898	0.004	0.658	0.908	0.354	0.245
Compound_88	CCOC(=O)CCNc1ccccn1	0.122	0.437	0.542	0.529	0.04	0.136	0.007	0.064	0.222	0.062	0.152
Compound_89	Clc1cc(Cl)c(cc1O)Cl	0.942	0.149	0.429	0.637	0.81	0.789	0.965	0.995	0.858	0.994	0.918
Compound_90	CCOC(=O)C1(CCCCC1)OC(=O)Cc1ccc(cc1Cl)Cl	0.623	0.484	0.162	0.663	0.819	0.49	0.913	0.944	0.29	0.975	0.886
Compound_91	CCCCCCC(c1ccccc1O)C	0.742	0.293	0.375	0.643	0.282	0.229	0.159	0.933	0.704	0.988	0.846
Compound_92	CCCC(O)C	0.698	0.054	0.054	0.538	0.025	0.016	0.91	0.219	0.371	0.444	0.363
Compound_93	CCCCOC(=O)Cl	0.754	0.03	0.24	0.701	0.076	0.06	0.998	0.991	0.847	0.913	0.943
Compound_94	ClC(Br)Cl	0.927	0.088	0.324	0.575	0.648	0.322	0.955	0.983	0.822	1.0	0.923
Compound_95	CCCCCCCCCCCCCCOCCO	0.917	0.231	0.069	0.611	0.212	0.748	0.991	0.889	0.369	0.892	0.62
Compound_96	CC(CP(=O)(CC(CC(C)(C)C)C)O)CC(C)(C)C	0.477	0.142	0.018	0.212	0.849	0.491	0.998	0.044	0.667	0.675	0.566
Compound_97	O=C(c1ccc(cc1)Oc1ccccc1)c1ccc(cc1)C(=O)c1ccc(cc1)Oc1ccccc1	0.908	0.756	0.719	0.61	0.992	0.994	0.994	0.356	0.881	0.391	0.967
Compound_98	COc1ccc(cc1OC)CCN(CCCC(c1cc(OC)c(c(c1)OC)OC)(C(C)C)C#N)C	0.053	0.48	0.036	0.059	0.199	0.647	0.019	0.114	0.453	0.006	0.591
Compound_99	CCOC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@]21CCC(=O)O2)C	0.869	0.97	0.041	0.791	0.964	0.93	0.559	0.972	0.206	1.0	0.521
Compound_100	CCOCOc1ccc(cc1)C(=O)Nc1cccc(c1Cl)Cl	0.79	0.604	1.001	0.736	0.481	0.891	0.989	0.868	0.428	0.922	0.577
Compound_101	OCC(C1(C)OC(OC2C1OC(OC2)c1ccc(cc1)Cl)c1ccc(cc1)Cl)O	0.129	0.544	0.137	0.618	0.736	0.738	0.074	0.029	0.185	0.221	0.757
Compound_102	CCC(=O)N(C1CCN(CC1C)CCc1ccccc1)c1ccccc1	0.389	0.522	0.045	0.201	0.133	0.821	0.003	0.05	0.171	0.487	0.098
Compound_103	Oc1ccc(cc1)C1(CC2CC1C1C2CCC1)C(=O)O	0.435	0.527	0.158	0.412	0.907	0.87	0.132	0.1	0.164	0.956	0.296
Compound_104	OC(COc1cccc2c1CCC(=O)N2)CNC(C)(C)C	0.053	0.672	0.013	0.112	0.1	0.128	0.002	0.025	0.362	0.059	0.088
Compound_105	OC(=O)CC1(CCCCC1)CC(=O)O	0.631	0.116	0.062	0.128	0.168	0.091	0.184	0.069	0.184	0.127	0.214
Compound_106	O=C=Nc1ccc(cc1)Oc1ccc(cc1)N=C=O	0.829	0.828	0.888	0.636	0.896	0.971	0.992	0.952	0.887	0.783	0.762
Compound_107	CCCCNC(=O)OC	0.039	0.102	0.272	0.401	0.016	0.041	0.001	0.627	0.648	0.019	0.136
Compound_108	NC(=O)CCl	0.353	0.024	0.034	0.366	0.172	0.024	0.848	0.704	0.801	0.674	0.785
Compound_109	CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC	0.807	0.078	0.671	0.583	0.093	0.499	0.968	0.013	0.767	0.992	0.729
Compound_110	OC(=O)C=CC=Cc1ccc2c(c1)OCO2	0.814	0.36	0.834	0.512	0.387	0.701	0.929	0.509	0.586	0.737	0.84
Compound_111	NC(=O)CN(CC(=O)O)CC(=O)O	0.004	0.062	0.002	0.035	0.032	0.0	0.001	0.079	0.538	0.007	0.228
Compound_112	O=C(N(c1ccccc1)c1ccccc1)Oc1ccccc1	0.802	0.778	0.661	0.489	0.936	0.956	0.91	0.084	0.402	0.733	0.35
Compound_113	OC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C	0.05	0.568	0.01	0.25	0.009	0.047	0.003	0.013	0.194	0.005	0.079
Compound_114	C=CC=C	0.902	0.104	0.63	0.645	0.172	0.009	0.997	0.996	0.902	0.999	0.864
Compound_115	N#CC(c1ccc(c(c1)OC)OC)C(C)C	0.64	0.133	0.532	0.554	0.376	0.375	0.835	0.188	0.417	0.656	0.595
Compound_116	CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C	0.522	0.582	0.044	0.37	0.093	0.499	0.017	0.047	0.713	0.524	0.704
Compound_117	OC(=O)CC1OCC=C2C3C1C1NC4=C(N(=O)=O)C(=O)C(=O)C=C4C41C(C3)N(C2)CC4	0.656	0.759	0.01	0.237	0.563	0.598	0.288	0.643	0.156	0.081	0.627
Compound_118	O=C(NNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.249	0.556	0.073	0.426	0.254	0.907	0.083	0.876	0.499	0.472	0.253
Compound_119	CCCCOC(=O)C=C	0.981	0.017	0.216	0.804	0.595	0.287	1.0	0.998	0.899	0.985	0.884
Compound_120	Clc1ccc(cc1)OC(C(=O)OCCCOC(=O)c1cccnc1)(C)C	0.092	0.657	0.48	0.558	0.06	0.18	0.074	0.146	0.146	0.05	0.589
Compound_121	OC(=O)c1cc(ccc1N)S(=O)(=O)O	0.134	0.194	0.936	0.314	0.334	0.529	0.129	0.098	0.418	0.003	0.193
Compound_122	OCC(C(C1OC(O)(CC(C1NC(=O)C)O)C(=O)OC)O)O	0.164	0.503	0.009	0.333	0.015	0.12	0.02	0.049	0.167	0.002	0.099
Compound_123	ClC(SN(S(=O)(=O)c1ccccc1)c1ccccc1)(Cl)Cl	0.451	0.401	0.679	0.688	0.797	0.952	0.818	0.917	0.191	0.978	0.592
Compound_124	CC(=CC(=O)OCC)C=O	0.916	0.113	0.816	0.758	0.261	0.259	0.994	0.998	0.795	0.988	0.986
Compound_125	C=CC(=O)NC(C(=O)OC)OC	0.119	0.09	0.574	0.555	0.171	0.044	0.032	0.998	0.405	0.818	0.382
Compound_126	CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1	0.056	0.753	0.043	0.071	0.093	0.732	0.001	0.005	0.584	0.008	0.211
Compound_127	CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)N(=O)=O)C(=O)OC)C	0.952	0.744	0.961	0.527	0.599	0.562	0.013	0.24	0.898	0.047	0.901
Compound_128	c1ccc(cc1)c1nn([n+](n1)c1ccccc1)c1ccccc1	0.487	0.45	0.863	0.675	0.763	0.893	0.808	0.72	0.979	0.384	0.739
Compound_129	OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N	0.053	0.464	0.039	0.373	0.905	0.898	0.96	0.068	0.076	0.079	0.301
Compound_130	N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_131	CC(C(C(=O)OCCOCn1cnc2c1[nH]c(N)nc2=O)NC(=O)OCc1ccccc1)C	0.333	0.648	0.649	0.432	0.132	0.493	0.072	0.283	0.4	0.025	0.269
Compound_132	CCC(=O)c1ccc(cc1)C1CCCCC1	0.886	0.296	0.309	0.432	0.093	0.538	0.157	0.888	0.266	0.996	0.729
Compound_133	CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F	0.385	0.343	0.006	0.051	0.36	0.077	0.521	0.033	0.377	0.003	0.153
Compound_134	OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)C)CC(=O)O	0.009	0.02	0.029	0.104	0.146	0.012	0.001	0.018	0.385	0.013	0.039
Compound_135	CNCCCC(c1ccc(c(c1)OC)O)(C(C)C)C#N	0.083	0.39	0.014	0.33	0.34	0.24	0.004	0.138	0.445	0.001	0.112
Compound_136	OC1C(O)C(O)C(C(C1O)O)O	0.609	0.183	0.06	0.445	0.115	0.163	0.042	0.153	0.318	0.696	0.076
Compound_137	CCCCC1(CC)COP(OC1)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C	0.776	0.626	0.534	0.593	0.301	0.47	0.041	0.93	0.85	0.973	0.57
Compound_138	ClC=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.956	0.624	0.645	0.656	0.852	0.917	0.975	0.948	0.786	0.998	0.92
Compound_139	COC(=O)CCC(=O)OC	0.789	0.005	0.274	0.558	0.042	0.018	0.985	0.964	0.617	0.129	0.778
Compound_140	ClC(C(c1ccccc1)c1ccccc1)(Cl)Cl	0.948	0.539	0.125	0.567	0.601	0.892	0.972	0.828	0.085	0.999	0.945
Compound_141	Oc1cc(C)c(c2c1cccc2)O	0.886	0.784	0.941	0.607	0.692	0.424	0.737	0.996	0.847	0.997	0.971
Compound_142	O=C1CC(Oc2c1cccc2)c1ccccc1	0.332	0.765	0.478	0.516	0.394	0.659	0.887	0.743	0.587	0.447	0.853
Compound_143	OC(=O)c1cc(c(cc1N)Cl)S(=O)(=O)N	0.028	0.256	0.009	0.101	0.452	0.583	0.019	0.025	0.351	0.098	0.29
Compound_144	CCCC(CO)(CO)C	0.754	0.116	0.103	0.534	0.045	0.039	0.758	0.608	0.297	0.458	0.568
Compound_145	CCCCCCOCCO	0.785	0.231	0.069	0.611	0.121	0.372	0.894	0.889	0.394	0.892	0.62
Compound_146	Nc1scc(n1)C(=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Sc1nc2c(s1)cccc2	0.66	0.64	0.973	0.544	0.636	0.742	0.95	0.93	0.497	0.133	0.783
Compound_147	FC(Oc1ccc(cc1)N)(F)F	0.757	0.33	0.92	0.73	0.52	0.597	0.862	0.889	0.743	0.704	0.887
Compound_148	CCCCCC(=O)OC	0.745	0.004	0.291	0.616	0.018	0.006	0.994	0.93	0.256	0.91	0.815
Compound_149	Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O	0.467	0.631	0.718	0.901	0.973	0.926	0.956	0.658	0.406	0.59	0.889
Compound_150	CCOC(=O)NS(=O)(=O)c1ccc(s1)Cl	0.323	0.332	0.187	0.254	0.5	0.614	0.341	0.72	0.303	0.529	0.359
Compound_151	Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O	0.677	0.223	0.995	0.685	0.83	0.66	0.876	0.886	0.519	0.135	0.918
Compound_152	ClC(c1ccccc1Cl)Cl	0.91	0.088	0.528	0.6	0.39	0.508	0.995	0.325	0.667	0.999	0.279
Compound_153	O=C(C(=C)C)OCc1ccccc1	0.759	0.41	0.525	0.606	0.089	0.083	0.994	0.99	0.877	0.983	0.793
Compound_154	Brc1cc(Br)c(c(c1)Br)N(c1c(cc(cc1C(F)(F)F)N(=O)=O)N(=O)=O)C	0.921	0.699	0.943	0.736	0.699	0.652	0.988	0.958	0.478	0.988	0.901
Compound_155	CCCCCCC(C(=O)OCC(CN(Cc1ccccc1)CC(COC(=O)C(CCCCCC)(C)C)O)O)(C)C	0.066	0.264	0.086	0.256	0.068	0.316	0.01	0.05	0.303	0.051	0.173
Compound_156	CN(CCC=C1c2ccccc2C(c2c1cccc2)(C)C)C	0.17	0.474	0.001	0.599	0.317	0.736	0.152	0.061	0.45	0.007	0.11
Compound_157	ClC(=CC(=C(Cl)Cl)Cl)Cl	0.942	0.418	0.63	0.635	0.507	0.649	0.998	0.993	0.373	0.999	0.882
Compound_158	CCCCCCCCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.056	0.823	0.992	0.45	0.934	0.444	0.428
Compound_159	CCOC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3F)F	0.621	0.533	1.0	0.561	0.223	0.089	0.916	0.913	0.378	0.305	0.536
Compound_160	C[C@@H]1CCC[C@@H](N1NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)C	0.053	0.415	0.088	0.158	0.342	0.644	0.003	0.069	0.376	0.099	0.087
Compound_161	NCC(CO)O	0.019	0.123	0.008	0.261	0.042	0.022	0.001	0.005	0.174	0.003	0.05
Compound_162	O=c1[nH]ncc2c1cccc2	0.653	0.694	0.953	0.487	0.056	0.436	0.372	0.364	0.754	0.239	0.617
Compound_163	CCCCCCC=C	0.966	0.05	0.33	0.66	0.387	0.016	0.997	0.987	0.585	1.0	0.856
Compound_164	O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)Oc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C	0.647	0.599	0.036	0.172	0.218	0.579	0.012	0.236	0.075	0.059	0.43
Compound_165	O=C(n1cncc1)n1cncc1	0.194	0.409	0.689	0.539	0.283	0.338	0.01	0.216	0.829	0.216	0.628
Compound_166	CC(NCCC(c1ccccn1)(c1ccccc1)C(=N)O)C	0.071	0.461	0.003	0.177	0.062	0.486	0.002	0.169	0.135	0.0	0.053
Compound_167	CC(CC(CC(=O)CC(C)C)C)C	0.98	0.033	0.693	0.428	0.047	0.013	0.963	0.59	0.464	0.997	0.834
Compound_168	CCCCCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCC	0.281	0.061	0.11	0.444	0.169	0.102	0.276	0.085	0.405	0.846	0.115
Compound_169	ClC(=O)Cc1ccc(cc1Cl)Cl	0.753	0.1	0.574	0.77	0.595	0.21	0.998	0.994	0.347	0.996	0.789
Compound_170	CCCP(=O)(Cl)Cl	0.838	0.255	0.285	0.741	0.494	0.182	0.997	0.989	0.853	0.995	0.736
Compound_171	OCC1CCC(CC1)CO	0.861	0.145	0.065	0.498	0.14	0.129	0.908	0.082	0.337	0.116	0.239
Compound_172	N#Cc1sc(c(c1C)C#N)N	0.387	0.457	0.618	0.563	0.242	0.187	0.944	0.403	0.847	0.978	0.603
Compound_173	OCC(CBr)(CBr)CO	0.776	0.106	0.115	0.584	0.168	0.114	0.627	0.906	0.365	0.423	0.883
Compound_174	O=C1OC(=O)c2c3c1cccc3ccc2	0.832	0.52	0.981	0.59	0.107	0.438	0.996	0.486	0.778	0.065	0.741
Compound_175	OC(=O)c1ccccc1P(c1ccccc1)c1ccccc1	0.308	0.3	0.098	0.312	0.932	0.624	0.999	0.05	0.718	0.693	0.65
Compound_176	CCOP(=O)(Oc1ccc(cc1)S(=O)(=O)C)OCC	0.806	0.511	0.969	0.628	0.122	0.208	0.909	0.099	0.362	0.986	0.221
Compound_177	ClCC(OP(=O)(OC(CCl)C)O)C	0.935	0.324	0.067	0.384	0.121	0.082	0.993	0.82	0.61	0.219	0.526
Compound_178	CCCCNC1CC(C)(C)NC(C1)(C)C	0.071	0.297	0.022	0.26	0.003	0.048	0.0	0.025	0.425	0.701	0.055
Compound_179	ClC(C(=O)c1cc(Cl)c(cc1Cl)Cl)Cl	0.979	0.081	0.679	0.619	0.811	0.787	0.999	1.0	0.53	0.999	0.868
Compound_180	OC(S(=O)(=O)O)COC(=O)c1ccccc1	0.26	0.268	0.297	0.318	0.089	0.446	0.394	0.008	0.422	0.011	0.172
Compound_181	OCC1OC(O)C(C(C1O)O)O	0.544	0.155	0.023	0.476	0.035	0.338	0.016	0.526	0.462	0.128	0.008
Compound_182	ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1ccc(cn1)C(F)(F)F)Cl	0.659	0.467	0.612	0.736	0.634	0.7	0.858	0.961	0.261	0.922	0.846
Compound_183	OCCCCOC(=O)C=C	0.948	0.484	0.074	0.736	0.639	0.716	0.998	0.978	0.373	0.839	0.515
Compound_184	Cc1ccc2c(c1)ccc(c2)C	0.958	0.549	0.958	0.627	0.109	0.095	0.968	0.986	0.841	0.998	0.918
Compound_185	O=C1NC(=O)NC(=O)C1N=NC1C(=O)NC(=O)NC1=O	0.119	0.505	0.289	0.298	0.063	0.166	0.0	0.188	0.218	0.306	0.595
Compound_186	OCc1c2CC=CC=c2n(c2c1cccc2)C(=O)N	0.547	0.468	0.348	0.424	0.271	0.451	0.14	0.378	0.551	0.007	0.241
Compound_187	OCC(Cn1c(=O)n(CC(CBr)Br)c(=O)n(c1=O)CC(CBr)Br)Br	0.211	0.218	0.019	0.484	0.202	0.519	0.011	0.593	0.304	0.027	0.659
Compound_188	O=C1CCCCCCCCCCCCCCO1	0.871	0.144	0.256	0.706	0.099	0.065	0.989	0.81	0.189	0.978	0.752
Compound_189	CC(=O)NC(=S)Nc1cc(ccc1C)N(=O)=O	0.474	0.345	0.478	0.424	0.18	0.58	0.727	0.632	0.594	0.842	0.38
Compound_190	CCCCN	0.096	0.033	0.052	0.368	0.009	0.007	0.001	0.009	0.533	0.827	0.267
Compound_191	O=N(=O)N1CN(CN(CN(C1)N(=O)=O)N(=O)=O)N(=O)=O	0.274	0.249	0.257	0.478	0.314	0.356	0.002	0.93	0.777	0.955	0.567
Compound_192	OC(=O)CC(=C)C(=O)O	0.694	0.127	0.055	0.096	0.231	0.015	0.833	0.176	0.698	0.083	0.762
Compound_193	C=CC(=O)OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)CC)CC	0.962	0.061	0.142	0.641	0.853	0.84	0.999	0.998	0.918	0.999	0.952
Compound_194	Clc1ccc(c(c1)N(=O)=O)Cl	0.98	0.122	0.833	0.672	0.336	0.303	0.999	0.962	0.608	0.999	0.936
Compound_195	C=CC(=O)OC(COCC(OC(=O)C=C)C)C	0.971	0.123	0.424	0.651	0.867	0.643	0.998	0.993	0.93	0.997	0.788
Compound_196	C1CC=CC1	0.912	0.253	0.336	0.612	0.339	0.015	0.993	0.751	0.918	0.998	0.792
Compound_197	C1CCC(C1)P(C1CCCC1)C1CCCC1	0.791	0.226	0.179	0.492	0.857	0.707	0.9	0.635	0.726	1.0	0.797
Compound_198	CNCC(c1ccc(cc1)O)O	0.012	0.174	0.004	0.029	0.05	0.024	0.0	0.003	0.083	0.0	0.004
Compound_199	COC(=O)C1OC1c1ccc(cc1)OC	0.374	0.34	0.849	0.662	0.52	0.084	0.901	0.14	0.369	0.248	0.166
Compound_200	Oc1cc(cc2c1ccc(c2)Nc1ccccc1)S(=O)(=O)O	0.795	0.244	0.972	0.674	0.912	0.678	0.891	0.959	0.528	0.46	0.862
Compound_201	ClCS(=O)(=O)Nc1cc(Cl)c(cc1Oc1cc(Cl)cc(c1Cl)Cl)Cl	0.563	0.639	0.634	0.691	0.588	0.675	0.956	0.979	0.569	0.543	0.773
Compound_202	O=C1Nc2c(O)cc(cc2C(O1)(C#CC1(O)CC1)C(F)(F)F)Cl	0.721	0.575	0.155	0.712	0.771	0.676	0.755	0.688	0.362	0.858	0.699
Compound_203	C=CCc1cc(cc(c1O)CN(CC)CC)c1cc(CC=C)c(c(c1)CN(CC)CC)O	0.21	0.544	0.142	0.302	0.208	0.985	0.039	0.928	0.179	0.815	0.363
Compound_204	COc1ccc(c(c1)C(C(N)C)O)OC	0.088	0.163	0.268	0.401	0.03	0.024	0.001	0.074	0.251	0.069	0.483
Compound_205	CC(=O)CCc1ccccc1	0.748	0.122	0.409	0.544	0.02	0.04	0.959	0.415	0.592	0.839	0.288
Compound_206	COc1cc2c(cc1OC)CC[N+]([C@@H]2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC	0.279	0.804	0.195	0.841	0.717	0.89	0.759	0.882	0.584	0.519	0.554
Compound_207	CCOc1cc2N=c3c(Oc2cc1NC(=O)c1ccccc1)c(NC(=O)C)c1=Nc2c(Oc1c3NC(=O)C)cc(c(c2)OCC)NC(=O)c1ccccc1	0.707	0.737	0.799	0.599	0.625	0.664	0.99	0.25	0.437	0.826	0.882
Compound_208	CCCCCCOCCCCCC	0.854	0.079	0.176	0.615	0.052	0.101	0.988	0.913	0.854	1.0	0.849
Compound_209	COc1cccc(c1)C(=O)CCNC(C(c1ccccc1)O)C	0.015	0.544	0.012	0.141	0.092	0.263	0.056	0.823	0.1	0.001	0.068
Compound_210	O=C1COC(=NC2CCCCC2)N1C1CCCCC1	0.145	0.296	0.146	0.677	0.021	0.723	0.012	0.404	0.32	0.403	0.531
Compound_211	CCN(CCOCCOC(=O)C(c1ccccc1)(CC)CC)CC	0.167	0.45	0.012	0.171	0.068	0.069	0.229	0.087	0.19	0.076	0.079
Compound_212	COc1ccc2c(c1)c(CCNC(=O)C)ccc2	0.037	0.72	0.434	0.425	0.04	0.734	0.164	0.234	0.464	0.001	0.051
Compound_213	CNC(=O)c1ccc(c(c1)S(=O)(=O)NC)Cl	0.072	0.441	0.103	0.222	0.243	0.607	0.076	0.269	0.319	0.836	0.278
Compound_214	C=CCOc1c(Br)c(Br)c(c(c1Br)Br)Br	0.896	0.417	0.87	0.677	0.647	0.652	0.998	0.99	0.255	0.997	0.791
Compound_215	CCCCC(c1ccccc1)C#N	0.909	0.203	0.227	0.466	0.307	0.059	0.913	0.922	0.694	0.951	0.769
Compound_216	C#CC(O)(C)C	0.756	0.148	0.132	0.449	0.048	0.098	0.722	0.15	0.548	0.639	0.687
Compound_217	Clc1ccccc1C(=O)C1(Br)CCCC1	0.936	0.378	0.656	0.724	0.83	0.724	0.989	0.986	0.569	1.0	0.961
Compound_218	CC(CC(C)(C)C)CC(=O)OC(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C	0.909	0.021	0.105	0.581	0.139	0.088	0.979	0.434	0.415	0.886	0.813
Compound_219	CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC	0.389	0.514	0.921	0.297	0.5	0.671	0.527	0.952	0.401	0.89	0.824
Compound_220	O=S1(=O)NC(Cc2ccccc2)Nc2c1cc(c(c2)C(F)(F)F)S(=O)(=O)N	0.053	0.189	0.007	0.056	0.509	0.615	0.457	0.033	0.142	0.003	0.147
Compound_221	O=C(c1cccnc1)O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC(=O)c1cccnc1	0.74	0.692	0.419	0.256	0.383	0.706	0.6	0.297	0.099	0.014	0.679
Compound_222	c1ccc(cn1)c1nc2c([nH]1)cccc2	0.386	0.748	0.965	0.645	0.4	0.817	0.057	0.145	0.561	0.357	0.692
Compound_223	NCc1ccccc1Cl	0.565	0.117	0.507	0.541	0.061	0.181	0.04	0.341	0.511	0.481	0.084
Compound_224	NCCNCCNCCNCCNCCN	0.027	0.03	0.019	0.346	0.029	0.006	0.0	0.014	0.05	0.134	0.258
Compound_225	OCCNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC=O)C)CC(C)C)C)CC(C)C)CC(C)C)CC(C)C	0.547	0.573	0.746	0.25	0.791	0.654	0.994	0.385	0.392	0.684	0.676
Compound_226	OC(=O)c1c(F)cc(cc1F)Br	0.887	0.085	0.285	0.464	0.194	0.575	0.993	0.747	0.531	0.889	0.423
Compound_227	CC1C(C)(C)C2=C(C1(C)C)CCCC2	0.991	0.446	0.557	0.538	0.471	0.09	0.35	0.953	0.876	0.996	0.456
Compound_228	Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl	0.702	0.536	0.866	0.689	0.811	0.711	0.41	0.988	0.909	0.969	0.935
Compound_229	O=C1C=C[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C	0.952	1.0	0.012	0.995	0.767	0.928	0.009	0.057	0.129	0.567	0.057
Compound_230	COC(=O)C=C	0.961	0.065	0.574	0.662	0.426	0.083	1.0	1.0	0.965	0.993	0.827
Compound_231	OCC(C(C(Cn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)O)O)O	0.389	0.255	0.017	0.237	0.222	0.855	0.004	0.044	0.092	0.095	0.087
Compound_232	C=O	0.873	0.216	0.407	0.494	0.449	0.283	0.791	0.904	0.901	0.998	0.893
Compound_233	CCC1(CO)COC1	0.715	0.141	0.071	0.38	0.085	0.128	0.843	0.056	0.364	0.632	0.707
Compound_234	OCC1OC(Oc2ccc3c(c2)occ(c3=O)c2ccc(cc2)O)C(C(C1O)O)O	0.673	0.503	0.518	0.724	0.898	0.863	0.858	0.49	0.576	0.064	0.903
Compound_235	CCCCCCCCCCC1=C2CCC(C1)C2	0.999	0.433	0.569	0.561	0.415	0.064	0.982	0.945	1.0	1.0	0.723
Compound_236	CC=CC	0.896	0.106	0.625	0.596	0.166	0.002	0.995	0.974	0.959	0.998	0.82
Compound_237	O=C=NCc1cccc(c1)CN=C=O	0.453	0.298	0.863	0.564	0.019	0.438	0.339	0.464	0.748	0.935	0.634
Compound_238	CC(=O)Nc1ccc2c(c1)C(=O)C(=NNc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O)C(=C2)S(=O)(=O)O	0.546	0.619	0.549	0.422	0.699	0.664	0.864	0.334	0.405	0.333	0.336
Compound_239	Nc1noc(c1)C	0.263	0.345	0.643	0.519	0.15	0.074	0.012	0.098	0.857	0.52	0.396
Compound_240	O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(O[C@@]2(N(C1=O)[C@@H](C(C)C)C(=O)N1[C@H]2CCC1)O)C(C)C	0.785	0.633	0.057	0.211	0.391	0.652	0.224	0.38	0.13	0.329	0.211
Compound_241	COc1sc(=O)n(n1)CSP(=S)(OC)OC	0.457	0.381	0.969	0.539	0.235	0.173	0.229	0.041	0.35	0.683	0.591
Compound_242	NC(=O)NC(=O)N(Cc1ccc(nc1)Cl)CCS(=O)(=O)O	0.089	0.268	0.015	0.214	0.21	0.516	0.025	0.018	0.367	0.008	0.494
Compound_243	Nc1cc(O)c(cc1S(=O)(=O)N)S(=O)(=O)N	0.153	0.198	0.031	0.235	0.558	0.609	0.108	0.001	0.192	0.003	0.202
Compound_244	CN1CCC(=C2c3ccsc3CCc3c2cccc3)CC1	0.081	0.723	0.011	0.051	0.287	0.575	0.016	0.004	0.726	0.009	0.121
Compound_245	ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O	0.626	0.569	0.071	0.575	0.922	0.938	0.839	0.243	0.523	0.584	0.891
Compound_246	CCOc1ccc(cc1)NC(=O)c1cc2ccccc2cc1O	0.784	0.861	0.989	0.835	0.946	0.994	0.81	0.958	0.55	0.785	0.916
Compound_247	NC12CC3CC(C2)CC(C1)C3	0.375	0.307	0.098	0.306	0.098	0.565	0.036	0.015	0.331	0.414	0.087
Compound_248	CCC(=C(c1cccc(c1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1	0.385	0.393	0.016	0.878	0.966	0.96	0.011	0.491	0.057	0.015	0.154
Compound_249	NCc1ccc(cc1)S(=O)(=O)N	0.053	0.309	0.001	0.11	0.08	0.119	0.008	0.0	0.137	0.001	0.06
Compound_250	NC(=NCC1COc2c(O1)cccc2)N	0.037	0.401	0.095	0.393	0.087	0.069	0.023	0.251	0.312	0.314	0.285
Compound_251	COc1ccc(cc1)N(=O)=O	0.982	0.285	0.895	0.717	0.462	0.651	0.991	0.922	0.172	0.984	0.874
Compound_252	CCCCCCCC(=O)OC	0.904	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.363	0.994	0.862
Compound_253	CCC(=O)OCC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C	0.974	0.341	0.955	0.541	0.831	0.91	0.995	0.997	0.363	1.0	0.851
Compound_254	O=N(=O)c1cc(C)c(c(c1)N(=O)=O)O	0.833	0.082	0.775	0.616	0.752	0.825	0.984	0.99	0.95	0.983	0.918
Compound_255	CC1CCCCN1CCCOC(=O)c1ccccc1	0.081	0.207	0.057	0.124	0.013	0.098	0.015	0.023	0.59	0.286	0.085
Compound_256	CCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.069	0.063	0.937	0.494	0.204	0.901	0.571
Compound_257	OCOCc1ccccc1	0.444	0.162	0.29	0.534	0.04	0.458	0.974	0.368	0.606	0.114	0.295
Compound_258	CCc1cccc(c1)CC	0.608	0.118	0.675	0.586	0.043	0.068	0.977	0.663	0.863	0.999	0.299
Compound_259	CCOC(=O)c1cccc2c1n(Cc1ccc(cc1)c1ccccc1c1nn[nH]n1)c(n2)OCC	0.595	0.725	0.978	0.684	0.534	0.745	0.998	0.511	0.435	0.35	0.655
Compound_260	CCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_261	Clc1cc(Cl)cc(c1)C(CC(Cl)(Cl)Cl)(O)C	0.688	0.17	0.456	0.715	0.74	0.648	0.852	0.454	0.235	0.407	0.318
Compound_262	COCCN(c1c(C)cccc1C)C(=O)CCl	0.918	0.763	0.533	0.704	0.895	0.064	0.992	0.952	0.534	0.134	0.558
Compound_263	O=C1CC[C@]2(C(=C1)CC[C@@H]1C2(O)CC[C@]2([C@H]1CCC2=O)C)C	0.981	1.0	0.029	0.784	0.924	0.945	0.016	0.916	0.07	0.911	0.117
Compound_264	Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1	0.053	0.389	0.133	0.177	0.775	0.259	0.006	0.01	0.158	0.03	0.104
Compound_265	ClCC(=O)C(Cl)(Cl)Cl	0.964	0.067	0.44	0.66	0.58	0.951	0.987	0.988	0.303	0.996	0.994
Compound_266	CCCCCOc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(cc1)O)O)O)[C@H](O)C)C	0.563	0.732	0.033	0.475	0.921	0.825	0.92	0.938	0.406	0.572	0.84
Compound_267	CCCC(=O)N1CCCN(CC1)c1nc(N)c2c(n1)cc(c(c2)OC)OC	0.084	0.71	0.049	0.317	0.535	0.631	0.01	0.182	0.575	0.051	0.648
Compound_268	ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC	0.316	0.453	0.287	0.285	0.413	0.499	0.033	0.712	0.441	0.047	0.394
Compound_269	O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br	0.952	0.046	0.919	0.581	0.637	0.098	0.998	0.765	0.42	0.374	0.732
Compound_270	BrC(N(=O)=O)(Br)Br	0.824	0.092	0.353	0.599	0.592	0.212	0.8	0.995	0.911	0.983	0.858
Compound_271	COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)SC)NC(=O)C)cc(c1OC)OC	0.674	0.81	0.416	0.558	0.21	0.333	0.1	0.96	0.618	0.073	0.146
Compound_272	OCCOCCN1CC2CC1CC2	0.133	0.279	0.085	0.091	0.239	0.51	0.003	0.058	0.129	0.147	0.045
Compound_273	O=C(c1ccccc1)OC(COC(=O)c1ccccc1)COC(=O)c1ccccc1	0.333	0.599	0.897	0.664	0.749	0.903	0.984	0.019	0.698	0.552	0.938
Compound_274	O=CC(C1CCCCC1)C	0.967	0.101	0.207	0.485	0.069	0.172	0.971	0.486	0.712	0.998	0.509
Compound_275	COc1cc2ccc(=O)oc2cc1O	0.847	0.554	0.748	0.57	0.75	0.053	0.129	0.24	0.872	0.11	0.535
Compound_276	N#CCc1cccs1	0.743	0.484	0.481	0.478	0.353	0.524	0.998	0.958	0.765	0.96	0.783
Compound_277	Cc1[nH]nc(c1)C	0.531	0.289	0.696	0.466	0.568	0.589	0.55	0.427	0.808	0.392	0.644
Compound_278	CCCCCC(=Cc1ccccc1)CO	0.902	0.28	0.445	0.544	0.061	0.138	0.433	0.828	0.474	0.688	0.72
Compound_279	N#Cc1ccccc1O	0.938	0.158	0.816	0.701	0.451	0.082	0.878	0.909	0.803	0.828	0.921
Compound_280	CC(CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C)C	0.934	0.0	0.706	0.683	0.199	0.147	0.993	0.662	0.044	0.9	0.86
Compound_281	CNC(=O)Nc1ccc(c(c1)Cl)C	0.847	0.335	0.782	0.721	0.734	0.728	0.339	0.641	0.704	0.509	0.308
Compound_282	Clc1nc(Cl)c(c(c1Cl)S(=O)(=O)C)Cl	0.463	0.439	0.746	0.6	0.318	0.645	0.961	0.62	0.634	0.976	0.139
Compound_283	O=c1n(C)c2n(C)cnc2c(=O)n1C	0.078	0.217	0.019	0.224	0.14	0.15	0.001	0.042	0.649	0.024	0.087
Compound_284	N#Cc1cc(c2ccncc2)c([nH]c1=O)C	0.053	0.546	0.219	0.461	0.093	0.098	0.001	0.022	0.666	0.009	0.703
Compound_285	OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C	0.104	0.333	0.029	0.153	0.905	0.108	0.913	0.812	0.058	0.177	0.441
Compound_286	CCNC(=O)CCCC=CC[C@H]1[C@@H](O)C[C@H]([C@@H]1C=C[C@H](CCc1ccccc1)O)O	0.489	0.535	0.199	0.377	0.393	0.728	0.001	0.858	0.218	0.042	0.028
Compound_287	CNC(=O)N(c1nnc(s1)S(=O)(=O)CC)C	0.346	0.248	0.109	0.308	0.385	0.267	0.001	0.371	0.411	0.031	0.257
Compound_288	CCN(C(=S)S)CC	0.153	0.189	0.088	0.381	0.035	0.623	0.086	0.038	0.972	0.998	0.623
Compound_289	Clc1ccc(cc1)Oc1ccc(cc1O)Cl	0.935	0.582	0.647	0.723	0.827	0.489	0.498	0.803	0.435	0.991	0.995
Compound_290	CCCCNS(=O)(=O)c1ccccc1	0.182	0.35	0.028	0.142	0.022	0.291	0.005	0.058	0.389	0.05	0.071
Compound_291	OC(=O)CCCCCNS(=O)(=O)c1ccc(cc1)C	0.18	0.202	0.006	0.024	0.094	0.076	0.0	0.009	0.409	0.002	0.063
Compound_292	O=C1Nc2ccc(cc2C(=NC1O)c1ccccc1)Cl	0.77	0.796	0.926	0.682	0.563	0.798	0.477	0.691	0.763	0.773	0.902
Compound_293	OCC(CCCc1ccccc1)C	0.683	0.107	0.094	0.505	0.056	0.117	0.654	0.127	0.18	0.086	0.156
Compound_294	CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C	0.74	0.277	0.057	0.475	0.607	0.732	0.987	0.659	0.692	0.987	0.666
Compound_295	Cc1cc(Cc2cc(C)c(c(c2)C)N)cc(c1N)C	0.696	0.65	0.984	0.53	0.396	0.837	0.992	0.713	0.965	0.974	0.908
Compound_296	CCCCCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_297	CC(N(C(C)C)N=O)C	0.133	0.085	0.299	0.444	0.02	0.132	0.006	0.36	0.582	0.987	0.7
Compound_298	O=C=Nc1cccc(c1)Cl	0.835	0.587	0.875	0.703	0.546	0.332	0.999	0.938	0.645	0.97	0.795
Compound_299	CCCCC(=O)N([C@H](C(=O)O)C(C)C)Cc1ccc(cc1)Br	0.078	0.33	0.199	0.307	0.12	0.578	0.852	0.085	0.364	0.15	0.056
Compound_300	COC(=O)C1(CCN(CC1)CCC(=O)OC)N(c1ccccc1)C(=O)CC	0.669	0.666	0.059	0.101	0.141	0.055	0.007	0.505	0.376	0.578	0.256
Compound_301	OCC(Cc1ccc(cc1)C(C(=O)O)C)C	0.052	0.112	0.003	0.179	0.052	0.046	0.106	0.051	0.113	0.003	0.017
Compound_302	CCSCCSP(=S)(OC)OC	0.673	0.052	0.916	0.612	0.188	0.043	0.985	0.097	0.274	0.998	0.861
Compound_303	OCCC(CCc1ccccc1)C	0.683	0.085	0.211	0.465	0.056	0.117	0.654	0.27	0.108	0.194	0.132
Compound_304	CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N	0.952	0.874	0.985	0.772	0.968	0.943	0.959	0.942	0.56	0.756	0.994
Compound_305	OCC1OC(CC1F)n1ccc(=O)[nH]c1=O	0.815	0.192	0.022	0.373	0.488	0.288	0.157	0.06	0.208	0.023	0.849
Compound_306	CCCCCC(O)C	0.834	0.044	0.059	0.562	0.03	0.026	0.78	0.525	0.16	0.822	0.416
Compound_307	O=N(=O)c1cc(cc(c1Cl)N(=O)=O)C(F)(F)F	0.98	0.676	0.722	0.734	0.45	0.286	0.997	1.0	0.608	0.988	0.926
Compound_308	Cc1ccc(c(c1)C)C(c1ccccc1)C	0.672	0.399	0.808	0.523	0.25	0.217	0.895	0.59	0.787	0.999	0.829
Compound_309	[O-]C(=O)C(=O)[O-]	0.75	0.052	0.37	0.378	0.091	0.023	0.293	0.841	0.167	0.687	0.952
Compound_310	CC(=C)C(=O)OCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.751	0.501	0.897	0.825	0.978	0.876	0.987	0.932	0.715	0.983	0.627
Compound_311	Nc1ccc(c(c1)S(=O)(=O)O)N	0.634	0.233	0.982	0.339	0.527	0.59	0.387	0.057	0.4	0.006	0.098
Compound_312	CC(c1ccc(cc1)S(=O)(=O)O)C	0.546	0.302	0.686	0.344	0.906	0.257	0.949	0.046	0.25	0.548	0.054
Compound_313	Clc1cc(Cl)c(c(c1)Cl)O	0.916	0.149	0.452	0.507	0.263	0.098	0.987	0.969	0.798	0.994	0.918
Compound_314	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O	0.952	0.905	0.982	0.896	0.953	0.99	0.995	0.99	0.95	0.181	0.93
Compound_315	O=C1OC(=O)C2C1C2(C)C	0.655	0.158	0.255	0.478	0.107	0.048	0.975	0.848	0.553	0.016	0.32
Compound_316	CCCCCCCCCCCCOCCO	0.917	0.231	0.069	0.611	0.163	0.392	0.961	0.889	0.369	0.892	0.62
Compound_317	O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1cccc(c1O)C(=O)C	0.699	0.719	0.682	0.692	0.829	0.837	0.95	0.272	0.431	0.814	0.589
Compound_318	CCC(=O)[C@@H]1CC[C@H](CC1)c1ccccc1	0.877	0.303	0.276	0.483	0.084	0.187	0.118	0.052	0.182	0.996	0.792
Compound_319	C[N+](Cc1ccccc1)(C)C	0.352	0.339	0.376	0.522	0.007	0.313	0.005	0.32	0.222	0.085	0.033
Compound_320	S=C(N(Cc1ccccc1)Cc1ccccc1)SSC(=S)N(Cc1ccccc1)Cc1ccccc1	0.467	0.582	0.513	0.515	0.568	0.988	0.973	0.028	0.744	1.0	0.598
Compound_321	CC(CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C)C	0.928	0.937	0.206	0.574	0.826	0.894	0.03	0.7	0.046	0.985	0.541
Compound_322	CCC(C(=O)c1ccc2c(c1)OCO2)NC	0.102	0.394	0.955	0.318	0.019	0.405	0.006	0.165	0.236	0.353	0.45
Compound_323	Clc1ccc2c(c1)C(=NCC(=O)N2CC(F)(F)F)c1ccccc1	0.9	0.581	0.691	0.793	0.762	0.897	0.938	0.913	0.84	0.771	0.83
Compound_324	Fc1cc2c(=O)c(cn(c2c(c1N1CC2C(C1)CCCN2)F)C1CC1)C(=O)O	0.264	0.594	0.027	0.142	0.538	0.146	0.752	0.274	0.414	0.0	0.07
Compound_325	O=C1NS(=O)(=O)c2c1cccc2	0.219	0.364	0.072	0.219	0.032	0.447	0.501	0.027	0.058	0.059	0.087
Compound_326	CCN(C(=O)N(c1ccccc1)CC)c1ccccc1	0.833	0.644	0.325	0.49	0.593	0.802	0.568	0.073	0.396	0.965	0.296
Compound_327	ClCCN(c1ccc2c(c1)nc(n2C)CCCC(=O)O)CCCl	0.293	0.645	0.353	0.312	0.746	0.412	0.419	0.72	0.699	0.133	0.918
Compound_328	CCC[C@@H](C(=O)O)N[C@H](C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O)C	0.108	0.424	0.067	0.153	0.032	0.015	0.03	0.03	0.35	0.467	0.068
Compound_329	CCCCCCCCOS(=O)(=O)O	0.973	0.019	0.048	0.28	0.182	0.238	0.949	0.592	0.061	0.845	0.317
Compound_330	OCC1OC2C(C1O)Oc1n2cc(C)c(=O)n1	0.46	0.339	0.004	0.361	0.055	0.04	0.009	0.009	0.099	0.011	0.797
Compound_331	COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N	0.204	0.664	0.007	0.309	0.015	0.381	0.004	0.238	0.337	0.004	0.106
Compound_332	COC(=O)C(=C)F	0.983	0.169	0.318	0.678	0.306	0.027	1.0	1.0	0.929	0.997	0.908
Compound_333	NCCc1cc(OC)c(cc1OC)SC(C)C	0.816	0.335	0.405	0.551	0.441	0.567	0.006	0.048	0.28	0.008	0.14
Compound_334	Oc1ccc(c(c1)C(=O)O)O	0.426	0.173	0.189	0.391	0.274	0.108	0.021	0.111	0.696	0.527	0.058
Compound_335	OC(=O)c1cc2c(cc1C(=O)C)C(C(C2(C)C)C)(C)C	0.498	0.28	0.031	0.286	0.343	0.725	0.177	0.182	0.611	0.399	0.611
Compound_336	C1CCC(CC1)c1ccccc1	0.849	0.293	0.389	0.515	0.223	0.247	0.922	0.793	0.748	0.996	0.464
Compound_337	CCCCCCCCCCc1ccccc1	0.9	0.12	0.443	0.557	0.124	0.149	0.999	0.926	0.972	1.0	0.528
Compound_338	O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)C)Cn1cnnn1	0.261	0.345	0.05	0.203	0.514	0.533	0.007	0.566	0.058	0.246	0.172
Compound_339	CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)O)O	0.862	0.281	0.047	0.673	0.121	0.174	0.808	0.064	0.035	0.912	0.058
Compound_340	O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1	0.348	0.543	0.28	0.419	0.401	0.725	0.901	0.018	0.381	0.005	0.716
Compound_341	c1ccc2c(c1)nccn2	0.425	0.724	0.899	0.529	0.126	0.098	0.256	0.148	0.715	0.956	0.989
Compound_342	CNCCC(c1cccs1)O	0.038	0.405	0.012	0.201	0.081	0.364	0.003	0.136	0.488	0.001	0.069
Compound_343	CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C	0.258	0.31	0.005	0.321	0.005	0.174	0.521	0.063	0.381	0.064	0.18
Compound_344	O=C1Cc2c(O1)cccc2	0.158	0.219	0.691	0.592	0.141	0.026	0.967	0.806	0.441	0.9	0.46
Compound_345	CCOC(=O)NC1=CC(C=Nc2ccc(cc2C)N(CC)CC)C(=C(C1=O)Cl)C	0.427	0.661	0.988	0.5	0.672	0.671	0.649	0.961	0.344	0.264	0.618
Compound_346	O=C=NS(=O)(=O)c1ccccc1C(F)(F)F	0.715	0.367	0.828	0.735	0.154	0.394	0.981	0.915	0.225	0.535	0.575
Compound_347	CC(=O)Nc1cc(NC(=O)C)c(c(c1)C(=O)O)I	0.118	0.512	0.079	0.481	0.125	0.242	0.016	0.01	0.174	0.066	0.123
Compound_348	OC(=O)CCSCCC(=O)O	0.222	0.06	0.035	0.161	0.314	0.029	0.347	0.071	0.177	0.455	0.436
Compound_349	OOC(=O)c1cccc(c1)Cl	0.81	0.195	0.871	0.694	0.126	0.18	0.994	0.388	0.488	0.971	0.374
Compound_350	NCCc1ccc(cc1)OC(C(=O)O)(C)C	0.012	0.269	0.027	0.306	0.036	0.175	0.018	0.001	0.041	-0.0	-0.002
Compound_351	OCC=C(CCC=C(CCC=C(C)C)C)C	0.453	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_352	CCc1cccc(c1NC(C(=O)O)C)C	0.213	0.308	0.536	0.226	0.157	0.004	0.004	0.019	0.087	0.016	0.237
Compound_353	COC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NCCC(C)(C)C	0.171	0.29	0.004	0.149	0.051	0.014	0.005	0.009	0.395	0.01	0.114
Compound_354	C[C@@H]1N[C@H](C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1	0.122	0.583	0.036	0.164	0.435	0.109	0.557	0.661	0.399	0.001	0.219
Compound_355	CC(Nc1ccc(cc1)Nc1ccccc1)CCC(C)C	0.638	0.304	0.972	0.385	0.342	0.825	0.203	0.937	0.455	0.439	0.473
Compound_356	OCC(COc1ccccc1OC)O	0.072	0.127	0.071	0.365	0.164	0.024	0.031	0.009	0.192	0.737	0.097
Compound_357	C=CC(=O)N1CCOCC1	0.162	0.257	0.588	0.652	0.15	0.122	0.157	0.93	0.423	0.94	0.288
Compound_358	O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1	0.823	0.731	0.938	0.676	0.597	0.837	0.845	0.703	0.892	0.251	0.861
Compound_359	COc1ccc2c(c1)C(=O)N(C(=O)C2(C)C)CCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1	0.053	0.799	0.024	0.124	0.359	0.747	0.956	0.926	0.207	0.967	0.216
Compound_360	Oc1cc(Cl)c(c(c1)Cl)c1c(Cl)cc(cc1Cl)Cl	0.982	0.758	0.855	0.692	0.982	0.847	0.99	0.89	0.813	0.966	0.954
Compound_361	CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)O)CC)C)O)C	0.727	0.929	0.001	0.365	0.969	0.898	0.961	0.572	0.267	0.871	0.931
Compound_362	CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3c(n1)cccc3)c(=O)n2C	0.434	0.582	0.623	0.35	0.561	0.686	0.238	0.387	0.49	0.121	0.304
Compound_363	Oc1ccc(cc1)C(=O)NN=Cc1ccc(o1)N(=O)=O	0.39	0.538	0.94	0.433	0.645	0.658	0.028	0.992	0.414	0.775	0.918
Compound_364	CCOc1ccccc1OCC1CNCCO1	0.007	0.427	0.016	0.313	0.058	0.017	0.019	0.02	0.275	0.031	0.029
Compound_365	CC1CCC(C(C1)OC(=O)C1SCC(O1)O)C(C)C	0.741	0.557	0.008	0.457	0.189	0.253	0.842	0.592	0.489	0.814	0.32
Compound_366	CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1	0.15	0.574	0.4	0.226	0.244	0.457	0.643	0.017	0.114	0.834	0.343
Compound_367	COCC1CN=C(c2c(N1C)ccc(c2)Br)c1ccccc1Cl	0.782	0.72	0.881	0.702	0.675	0.652	0.408	0.729	0.511	0.285	0.842
Compound_368	CC(C(c1ccc(c(c1)O)O)O)N	0.129	0.168	0.092	0.263	0.063	0.013	0.002	0.031	0.081	0.046	0.235
Compound_369	CC1(C)OB(OC1(C)C)c1ccnn1C1CCCCO1	0.652	0.592	0.12	0.497	0.746	0.658	0.019	0.696	0.549	0.085	0.628
Compound_370	O=N(=O)c1cc(N)c(c(c1)S(=O)(=O)O)O	0.556	0.259	0.893	0.372	0.534	0.628	0.334	0.863	0.459	0.019	0.469
Compound_371	CCC(C(=O)O)Cc1c(I)cc(c(c1I)N)I	0.486	0.401	0.08	0.171	0.623	0.083	0.977	0.078	0.212	0.028	0.105
Compound_372	O=CN(C(=C(SSC(=C(N(Cc1cnc(nc1N)C)C=O)C)CCOC(=O)c1ccccc1)CCOC(=O)c1ccccc1)C)Cc1cnc(nc1N)C	0.344	0.681	0.167	0.58	0.33	0.695	0.776	0.149	0.464	0.588	0.635
Compound_373	OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@@H]([C@H]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@@H]([C@H]3O)O)CO	0.376	0.425	0.016	0.341	0.872	0.708	0.228	0.031	0.34	0.708	0.211
Compound_374	OCCOc1ccc(cc1)C(c1ccc(cc1)OCCO)(C)C	0.498	0.552	0.515	0.603	0.901	0.962	0.948	0.784	0.099	0.478	0.424
Compound_375	CCCCCCCCCCCCNC(=O)c1ccc(cc1)OC	0.134	0.396	0.377	0.409	0.013	0.972	0.065	0.056	0.644	0.011	0.025
Compound_376	CSc1nc2c(s1)cccc2	0.959	0.646	0.984	0.577	0.533	0.677	0.998	0.871	0.877	0.967	0.587
Compound_377	OCCCCCCCCCCCCCCCCCCCCP1C2CCCCC1CC2	0.862	0.248	0.067	0.529	0.91	0.838	0.977	0.186	0.174	0.826	0.431
Compound_378	OC(=O)CCc1c(I)cc(c(c1I)N=CN(C)C)I	0.341	0.521	0.055	0.514	0.332	0.117	0.94	0.098	0.267	0.002	0.112
Compound_379	O=C1N=C(OC1c1ccccc1)N	0.05	0.215	0.456	0.56	0.001	0.232	0.676	0.421	0.281	0.003	0.307
Compound_380	CCCCC(C(=O)Nc1cc(Cl)c(c(c1O)Cl)CC)Oc1ccc(cc1C(C)(C)C)C(C)(C)C	0.726	0.658	0.518	0.581	0.67	0.725	0.859	0.741	0.486	0.397	0.417
Compound_381	COc1ccc(cc1)C(OC)OC	0.534	0.103	0.808	0.676	0.171	0.411	0.965	0.007	0.569	0.83	0.149
Compound_382	CCC1CO1	0.81	0.178	0.198	0.535	0.115	0.039	0.991	0.545	0.852	0.998	0.946
Compound_383	CCCCNC(=O)c1ccccc1C(=O)N1CCOCC1	0.071	0.368	0.208	0.295	0.008	0.135	0.004	0.083	0.432	0.048	0.061
Compound_384	O=c1[nH]c(c2c1c([nH]c2=O)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1	0.401	0.796	0.733	0.59	0.513	0.768	0.956	0.834	0.5	0.575	0.949
Compound_385	O=C(Nc1c(Br)cc(cc1Br)Br)C=CC(=O)Nc1c(Br)cc(cc1Br)Br	0.755	0.647	0.892	0.609	0.603	0.652	0.864	0.801	0.471	0.997	0.843
Compound_386	c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2	0.988	0.649	0.977	0.622	0.937	0.898	0.998	0.924	0.94	1.0	0.952
Compound_387	Cc1c(C)c(N(=O)=O)c(c(c1C)N(=O)=O)C(C)(C)C	0.822	0.419	0.586	0.517	0.225	0.183	0.731	0.559	0.7	0.923	0.908
Compound_388	OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C	0.952	1.0	0.04	0.914	0.141	0.098	0.022	0.037	0.202	0.017	0.056
Compound_389	CC(=CC(=O)O)C	0.652	0.084	0.104	0.254	0.29	0.005	0.931	0.278	0.797	0.835	0.932
Compound_390	OC1C(O[C@H]2CC[C@]3(C(=C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)C)OC(C(C1O)O)C	0.854	1.0	0.003	0.572	0.978	0.966	0.88	0.223	0.95	0.49	0.506
Compound_391	OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I	0.064	0.515	0.03	0.356	0.093	0.262	0.004	0.031	0.362	0.01	0.277
Compound_392	O=C=Nc1ccc(cc1)Cc1ccc(cc1)N=C=O	0.737	0.762	0.882	0.602	0.746	0.973	0.999	0.788	0.839	0.981	0.946
Compound_393	CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)OP(=O)(O)O)C	0.568	0.609	0.039	0.267	0.328	0.55	0.746	0.006	0.374	0.015	0.371
Compound_394	OC(=O)CI	0.528	0.103	0.051	0.438	0.163	0.205	0.299	0.998	0.33	0.035	0.764
Compound_395	CN[C@H]1Cc2c(CC1)[nH]c1c2cc(cc1)C(=O)N	0.377	0.546	0.473	0.285	0.406	0.726	0.259	0.022	0.373	0.066	0.309
Compound_396	CCOCCCOCC	0.874	0.08	0.51	0.521	0.045	0.04	0.995	0.164	0.378	0.997	0.868
Compound_397	COCC(=O)Nc1cc(ccc1N=Nc1sc(c(c1C#N)Cl)C=O)N(CC)CC	0.636	0.601	0.915	0.513	0.595	0.675	0.188	0.826	0.479	0.7	0.519
Compound_398	CCSCSP(=S)(OCC)OCC	0.712	0.029	0.868	0.52	0.405	0.244	0.975	0.226	0.202	0.999	0.815
Compound_399	O=c1cc(oc2c1cccc2)c1ccccc1	0.952	0.928	0.994	0.905	0.257	0.935	0.977	0.802	0.905	0.38	0.933
Compound_400	Clc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)Cl	0.993	0.389	0.99	0.806	0.646	0.662	0.994	0.766	0.825	0.995	0.816
Compound_401	NC(=N)c1ccc(cc1)C=C1c2ccccc2c2c1cccc2	0.787	0.66	0.908	0.635	0.596	0.977	0.889	0.988	0.912	0.832	0.732
Compound_402	Oc1cccc(n1)C(=O)O	0.29	0.158	0.32	0.342	0.59	0.461	0.772	0.179	0.58	0.044	0.111
Compound_403	Nc1nc(nc(n1)Cl)NC(C)(C)C	0.214	0.257	0.755	0.414	0.017	0.062	0.072	0.208	0.542	0.26	0.04
Compound_404	CC(c1ccccc1)c1ccccc1	0.85	0.517	0.755	0.506	0.186	0.159	0.935	0.623	0.673	0.998	0.761
Compound_405	CN(C(=O)Nc1ccc(cc1)Cl)C	0.953	0.263	0.942	0.796	0.415	0.543	0.904	0.239	0.636	0.557	0.1
Compound_406	On1nnc2c1cccc2	0.641	0.301	0.92	0.545	0.353	0.098	0.965	0.094	0.9	0.901	0.754
Compound_407	CC(=O)OCC=CCOC(=O)C	0.923	0.107	0.518	0.633	0.621	0.115	0.998	0.99	0.95	1.0	0.947
Compound_408	Cc1ncc([nH]1)N(=O)=O	0.34	0.184	0.635	0.412	0.187	0.659	0.001	0.237	0.542	0.765	0.757
Compound_409	CCCC(=CCC)C(=O)O	0.655	0.094	0.108	0.263	0.32	0.012	0.959	0.541	0.383	0.955	0.717
Compound_410	CN1CCCCC1	0.362	0.191	0.02	0.1	0.005	0.062	0.008	0.047	0.688	0.013	0.02
Compound_411	CCOC(=O)[C@@H](NC(C(=O)N1CC2(CC1C(=O)O)SCCS2)C)CCc1ccccc1	0.348	0.477	0.177	0.244	0.512	0.348	0.041	0.163	0.335	0.338	0.245
Compound_412	c1ccc(cc1)Nc1nn(c[n+]1c1ccccc1)c1ccccc1	0.326	0.559	0.903	0.492	0.487	0.776	0.508	0.869	0.861	0.554	0.753
Compound_413	NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O	0.058	0.087	0.002	0.19	0.102	0.098	0.012	0.017	0.395	0.008	0.553
Compound_414	O=C(Nc1ccc(cc1)NC(=O)CC(=O)C)CC(=O)C	0.77	0.299	0.929	0.593	0.092	0.443	0.259	0.102	0.49	0.276	0.274
Compound_415	CCCCOc1ccc(cc1)NC(=S)Nc1ccc(cc1)N(C)C	0.614	0.643	0.672	0.511	0.448	0.93	0.552	0.793	0.795	0.887	0.457
Compound_416	O=C1c2cc(ccc2C(=O)c2c1cccc2)S(=O)(=O)O	0.64	0.524	0.81	0.369	0.843	0.68	0.616	0.706	0.434	0.851	0.175
Compound_417	O=C(c1c(Br)c(Br)c(c(c1Br)Br)Br)Cc1c(Br)c(Br)c(c(c1Br)Br)Br	0.634	0.409	0.568	0.588	0.613	0.261	0.986	0.95	0.43	0.997	0.951
Compound_418	CCCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.946	0.76	0.502	0.595	0.967	0.99	0.969	0.945	0.714	0.784	0.916
Compound_419	CCc1nnc(s1)NS(=O)(=O)c1ccc(cc1)N	0.075	0.251	0.024	0.094	0.168	0.459	0.077	0.049	0.289	0.003	0.135
Compound_420	Clc1ccc(c(c1)Cl)Oc1c(N)cc(c(c1Cl)Cl)Cl	0.868	0.723	0.964	0.694	0.536	0.752	0.971	0.986	0.727	0.997	0.995
Compound_421	O[C@H](c1ccccc1)[C@@H](N)C	0.011	0.166	0.079	0.232	0.003	0.029	0.001	0.011	0.056	0.045	0.172
Compound_422	CCCCCl	0.945	0.085	0.287	0.68	0.191	0.061	0.998	0.985	0.083	0.997	0.898
Compound_423	O[C@H]1C(O)O[C@@H]([C@@H]1OCc1ccccc1)[C@H](OCc1ccccc1)COCc1ccccc1	0.146	0.604	0.105	0.577	0.663	0.884	0.057	0.12	0.352	0.891	0.514
Compound_424	NCC(c1ccc(cc1)Cl)CC(=O)O	0.053	0.122	0.02	0.134	0.134	0.083	0.001	0.001	0.161	0.001	0.014
Compound_425	CCCCC(CN(CC(CCCC)CC)CC(CCCC)CC)CC	0.749	0.312	0.13	0.161	0.029	0.678	0.912	0.552	0.874	0.992	0.476
Compound_426	CCOC(C(Cl)Cl)OCC	0.866	0.15	0.577	0.595	0.032	0.068	0.988	0.989	0.498	0.996	0.942
Compound_427	FC(C1(F)C(F)(F)C(F)(F)C(C(C1(F)S(=O)(=O)F)(F)F)(F)F)(F)F	0.883	0.478	0.854	0.602	0.221	0.106	0.992	0.819	0.562	0.996	0.534
Compound_428	OC(=O)C(CS(=O)(=O)c1ccc(cc1)F)(O)C	0.487	0.405	0.27	0.267	0.177	0.185	0.71	0.057	0.363	0.024	0.156
Compound_429	CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C	0.778	0.637	0.372	0.282	0.06	0.903	0.683	0.943	0.501	0.525	0.566
Compound_430	COc1c(OC)ccc2c1C(=O)OC2	0.402	0.328	0.975	0.624	0.268	0.136	0.732	0.005	0.347	0.433	0.577
Compound_431	COC(=O)C(c1ccccc1)(C)C	0.439	0.121	0.281	0.595	0.056	0.025	0.963	0.656	0.477	0.537	0.304
Compound_432	CCCCOC(=O)NC1CCC(CC1)CC1CCC(CC1)NC(=O)OCCCC	0.157	0.463	0.272	0.375	0.111	0.873	0.471	0.25	0.527	0.874	0.281
Compound_433	Brc1ccc(c(c1)Cl)O	0.973	0.146	0.354	0.527	0.646	0.596	0.964	0.772	0.642	0.997	0.972
Compound_434	CCCC(=O)Oc1ccccc1	0.551	0.124	0.471	0.654	0.299	0.008	0.848	0.55	0.355	0.543	0.095
Compound_435	CC(c1c(Cl)ccc(c1Cl)F)O	0.478	0.083	0.874	0.537	0.557	0.199	0.877	0.752	0.516	0.982	0.603
Compound_436	OCCOCCCl	0.754	0.133	0.139	0.539	0.076	0.089	0.92	0.583	0.518	0.796	0.859
Compound_437	Cn1c(OCCC)n[nH]c1=O	0.194	0.311	0.038	0.388	0.009	0.074	0.014	0.006	0.376	0.009	0.507
Compound_438	NCC(CN)O	0.025	0.194	0.009	0.303	0.016	0.013	0.0	0.003	0.298	0.006	0.047
Compound_439	Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2	0.877	0.46	0.743	0.421	0.093	0.81	0.004	0.341	0.203	0.021	0.087
Compound_440	OCCN1CN(CCO)CN(C1)CCO	0.061	0.21	0.165	0.137	0.051	0.014	0.003	0.758	0.11	0.017	0.105
Compound_441	O=C(C1C(=O)c2c(C1=O)cccc2)C(c1ccccc1)c1ccccc1	0.65	0.779	0.803	0.406	0.905	0.991	0.965	0.006	0.486	0.166	0.991
Compound_442	O=S1(=O)CCCCN1c1ccc(cc1)S(=O)(=O)N	0.28	0.36	0.001	0.129	0.183	0.332	0.366	0.016	0.361	0.007	0.093
Compound_443	[O-]C(=O)O	0.738	0.034	0.254	0.255	0.69	0.053	0.276	0.676	0.636	0.11	0.365
Compound_444	COCCN(c1c(C)cccc1C(=O)O)C(=O)CO	0.229	0.469	0.086	0.361	0.027	0.103	0.122	0.159	0.444	0.007	0.173
Compound_445	CC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)[C@@H](C)CC(=O)C2	0.901	0.822	0.022	0.602	0.892	0.83	0.051	0.743	0.3	0.986	0.601
Compound_446	CN(C1C(=O)C(=C(C2(C1CC1Cc3c(C(=C1C2=O)O)c(O)ccc3N(C)C)O)O)C(=O)N)C	0.536	0.718	0.005	0.127	0.451	0.618	0.038	0.045	0.275	0.032	0.175
Compound_447	OP(=O)(CN(CP(=O)(O)O)CP(=O)(O)O)O	0.464	0.114	0.003	0.073	0.483	0.19	0.012	0.022	0.672	0.035	0.283
Compound_448	NC(=O)C(Br)Cl	0.401	0.081	0.034	0.307	0.589	0.177	0.938	0.708	0.67	0.929	0.76
Compound_449	CC(c1cccc(c1O)C(C)C)C	0.346	0.067	0.274	0.608	0.164	0.322	0.03	0.186	0.59	0.978	0.339
Compound_450	ClCC=CCl	0.921	0.06	0.63	0.64	0.649	0.054	0.995	0.993	1.002	0.998	0.933
Compound_451	COC(=O)c1ccc(cc1N(=O)=O)C(=O)Nc1cc(Cl)ccc1Cl	0.832	0.659	0.971	0.68	0.553	0.662	0.963	0.507	0.425	0.998	0.443
Compound_452	CCO	0.661	0.107	0.113	0.474	0.023	0.025	0.805	0.433	0.453	0.78	0.81
Compound_453	Clc1c2=Nc3ccc(c(c3Oc2c(c2=Nc3c(Oc12)c(c(cc3)N)S(=O)(=O)O)Cl)S(=O)(=O)O)N	0.541	0.416	0.975	0.455	0.7	0.652	0.712	0.314	0.453	0.743	0.5
Compound_454	CCCCCCC(COS(=O)(=O)O)CCCC	0.976	0.02	0.066	0.237	0.172	0.209	0.963	0.234	0.066	0.858	0.301
Compound_455	OC(=O)CCCCCCCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_456	Cc1ccccc1C	0.912	0.081	0.763	0.567	0.051	0.012	0.984	0.829	0.809	0.995	0.277
Compound_457	CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O	0.053	0.516	0.046	0.177	0.3	0.148	0.008	0.117	0.116	0.004	0.043
Compound_458	CC(c1cccc(c1N=C=Nc1c(cccc1C(C)C)C(C)C)C(C)C)C	0.483	0.639	0.851	0.674	0.438	0.823	0.954	0.117	0.72	0.969	0.616
Compound_459	O=C(OCc1ccccc1)NCCCCCN(C(=O)C)O	0.057	0.344	0.118	0.361	0.017	0.532	0.001	0.79	0.463	0.099	0.608
Compound_460	Nc1ccc(c(c1)N(=O)=O)O	0.76	0.078	0.919	0.533	0.722	0.759	0.868	0.995	0.773	0.449	0.915
Compound_461	CCOP(=S)(Oc1nccnc1)OCC	0.572	0.451	0.973	0.533	0.205	0.106	0.011	0.173	0.44	0.427	0.386
Compound_462	NC(=O)NN=C1C=C2C(O)CN(C2=CC1=O)C(C)C	0.36	0.472	0.121	0.174	0.206	0.275	0.017	0.648	0.39	0.004	0.129
Compound_463	CC(c1ccc(c(c1)S(=O)(=O)c1cc(ccc1O)C(CC(C)(C)C)(C)C)O)(CC(C)(C)C)C	0.566	0.624	0.27	0.661	0.593	0.735	0.562	0.492	0.473	0.963	0.278
Compound_464	S=c1[nH]c2c([nH]1)cccc2	0.777	0.589	0.794	0.451	0.028	0.469	0.066	0.027	0.942	0.963	0.896
Compound_465	CN1CCN(CC1)Cc1ccccc1	0.032	0.412	0.075	0.032	0.003	0.149	0.0	0.266	0.627	0.006	0.018
Compound_466	CCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.288	0.994	0.862
Compound_467	CNC(=S)NN	0.227	0.073	0.827	0.395	0.199	0.197	0.003	0.233	0.938	0.929	0.26
Compound_468	Nc1ccc(cc1)C(=O)N	0.66	0.257	0.171	0.321	0.028	0.573	0.919	-0.0	0.872	0.508	0.724
Compound_469	CCOC(=O)CCSP(=S)(OC(C)C)OC(C)C	0.678	0.085	0.687	0.652	0.297	0.09	0.993	0.864	0.222	0.999	0.692
Compound_470	Clc1cccc2c1[nH]c1cc3c(cc1c2=O)[nH]c1c(c3=O)cccc1Cl	0.622	0.632	0.851	0.454	0.83	0.586	0.999	0.259	0.806	0.464	0.998
Compound_471	ClCC(C(Cl)(Cl)Cl)Cl	0.936	0.073	0.529	0.649	0.571	0.929	0.99	0.885	0.169	0.999	0.945
Compound_472	CC[N+](Cc1ccccc1Br)(C)C	0.224	0.505	0.159	0.453	0.099	0.733	0.008	0.4	0.575	0.497	0.078
Compound_473	OCC(CO)(N)C	0.073	0.091	0.166	0.369	0.005	0.013	0.032	0.025	0.286	0.0	0.059
Compound_474	CC(COC(=O)CC1CO1)C	0.817	0.114	0.094	0.669	0.353	0.073	0.737	0.861	0.575	0.971	0.61
Compound_475	CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.951	0.82	0.502	0.646	0.967	0.99	0.969	0.949	0.535	0.794	0.918
Compound_476	COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC	0.863	0.639	0.957	0.753	0.574	0.555	0.957	0.152	0.652	0.97	0.71
Compound_477	NC1CCC(CC1C)CC1CCC(C(C1)C)N	0.321	0.2	0.085	0.317	0.064	0.235	0.011	0.019	0.553	0.482	0.083
Compound_478	O=C1CC[C@@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1	0.027	0.5	0.016	0.171	0.028	0.474	0.107	0.074	0.41	0.022	0.244
Compound_479	CC1(C)[C@H]2C[C@H]3[C@]([C@@H]1C2)(C)O3	0.953	0.464	0.023	0.452	0.771	0.626	0.539	0.497	0.447	0.993	0.731
Compound_480	CCNc1nc(NCC)nc(n1)OC	0.548	0.181	0.734	0.4	0.011	0.03	0.0	0.023	0.747	0.913	0.445
Compound_481	CCCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F	0.199	0.611	0.728	0.55	0.826	0.577	0.793	0.936	0.529	0.05	0.795
Compound_482	CN1CCN(CC1)C(=O)OC1c2nccnc2C(=O)N1(=O)c1ccc(cn1)Cl	0.505	0.606	0.411	0.201	0.343	0.568	0.024	0.197	0.391	0.407	0.45
Compound_483	CC1CCCO1	0.85	0.272	0.086	0.546	0.024	0.041	0.993	0.506	0.464	0.976	0.838
Compound_484	CN([C@H](Cc1ccccc1)C)Cc1ccccc1	0.015	0.451	0.073	0.136	0.055	0.884	0.336	0.503	0.376	0.033	0.076
Compound_485	O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)C(C(=O)C)N=Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N	0.606	0.566	0.953	0.613	0.558	0.894	0.296	0.065	0.459	0.074	0.733
Compound_486	OC(COc1cccc2c1cc[nH]2)CNC(C)C	0.032	0.548	0.45	0.135	0.477	0.631	0.008	0.002	0.127	0.054	0.18
Compound_487	C=CCONC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)CCC	0.366	0.587	0.526	0.606	0.194	0.336	0.603	0.997	0.347	0.206	0.777
Compound_488	CCC(c1ccccc1)C(=O)OCCN(CC)CC	0.04	0.473	0.031	0.171	0.035	0.008	0.072	0.011	0.095	0.46	0.082
Compound_489	O=C(OOC(C)(C)C)CCCCCC(C)(C)C	0.961	0.032	0.126	0.53	0.127	0.046	0.934	0.946	0.098	0.971	0.649
Compound_490	C[n+]1cccc(c1)OC(=O)N(C)C	0.34	0.386	0.509	0.594	0.045	0.167	0.021	0.816	0.518	0.164	0.152
Compound_491	CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C	0.919	0.673	0.919	0.525	0.616	0.963	0.984	0.686	0.877	0.971	0.847
Compound_492	CCCCCCCCCCCCCCC(c1cc(C)cc(c1O)C)C	0.799	0.307	0.145	0.574	0.272	0.939	0.075	0.893	0.942	0.993	0.832
Compound_493	COC(=O)c1ccc(c(c1)N)C	0.324	0.292	0.969	0.559	0.079	0.305	0.939	0.019	0.656	0.108	0.24
Compound_494	Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N	0.813	0.57	0.961	0.701	0.45	0.104	0.993	0.964	0.738	0.742	1.001
Compound_495	OCC(=O)[C@@]1(O)[C@H](O)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F	0.916	1.0	0.16	1.0	0.872	0.898	0.049	0.014	0.089	0.018	0.028
Compound_496	OCNC(=O)c1ccccc1C(F)(F)F	0.426	0.343	0.086	0.443	0.06	0.508	0.174	0.743	0.192	0.002	0.621
Compound_497	c1scc(n1)c1nc2c([nH]1)cccc2	0.449	0.77	0.894	0.487	0.424	0.712	0.291	0.121	0.613	0.705	0.588
Compound_498	CCCCN(CCCC)CCNc1onc(n1)c1ccccc1	0.093	0.544	0.086	0.364	0.246	0.843	0.067	0.542	0.705	0.613	0.189
Compound_499	CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)N(C(C1)(C)C)C(=O)C	0.828	0.541	0.168	0.444	0.021	0.459	0.122	0.352	0.525	0.654	0.505
Compound_500	OC(=O)Cc1cc(C)ccc1Nc1c(F)cccc1Cl	0.141	0.423	0.342	0.281	0.776	0.624	0.999	0.014	0.501	0.02	0.316
Compound_501	CCCCOCCOCCO	0.692	0.175	0.063	0.588	0.137	0.242	0.893	0.551	0.344	0.835	0.571
Compound_502	C=COCC(C)C	0.784	0.051	0.104	0.472	0.067	0.021	0.989	0.315	0.554	0.993	0.886
Compound_503	CC=CCC1(CC)C(=O)NC(=O)NC1=O	0.278	0.294	0.134	0.314	0.155	0.065	0.004	0.53	0.233	0.096	0.142
Compound_504	FC(Oc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C)(Br)F	0.705	0.606	0.92	0.803	0.984	0.964	0.671	0.573	0.376	0.903	0.851
Compound_505	CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)(c1ccccc1)C	0.758	0.575	0.836	0.625	0.975	0.62	0.499	0.832	0.686	0.957	0.702
Compound_506	COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl	0.355	0.861	0.95	0.733	0.614	0.881	0.045	0.755	0.409	0.485	0.25
Compound_507	COC=C(c1ccccc1Oc1ncnc(c1)Cl)C(=O)OC	0.611	0.782	0.722	0.642	0.375	0.591	0.365	0.953	0.879	0.306	0.662
Compound_508	O=C([C@@H]1[C@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2	0.564	0.85	0.565	0.773	0.193	0.414	0.987	0.991	0.428	0.988	0.282
Compound_509	CC(Cc1ccccc1)NCc1ccccc1Cl	0.036	0.296	0.42	0.311	0.223	0.717	0.754	0.032	0.373	0.091	0.152
Compound_510	CCCCCCCCCCCCCCCCCC(=O)OCCO	0.856	0.057	0.107	0.716	0.157	0.3	0.992	0.719	0.092	0.872	0.432
Compound_511	COc1cc(Cc2cnc(nc2N)N)cc(c1O)OC	0.095	0.407	0.169	0.513	0.34	0.178	0.011	0.023	0.892	0.006	0.57
Compound_512	CCN(C(=O)CC(=O)C)CC	0.214	0.139	0.184	0.512	0.015	0.096	0.071	0.067	0.405	0.511	0.561
Compound_513	O=C(C1CN(C)C2C(=C1)c1cccc3c1c(C2)c[nH]3)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C	0.826	0.355	0.076	0.326	0.599	0.653	0.796	0.565	0.182	0.887	0.193
Compound_514	Brc1cc(c(c(c1Br)Br)Br)C1(C)OC(c2c1c(Br)c(Br)c(c2Br)Br)(C)C	0.836	0.56	0.682	0.656	0.615	0.282	0.937	0.987	0.469	0.998	0.966
Compound_515	CC(=C)C	0.908	0.134	0.53	0.544	0.062	0.001	0.961	0.973	0.917	0.998	0.953
Compound_516	CCCCCCCCCC(C)C	0.993	0.074	0.763	0.557	0.107	0.025	0.981	0.882	0.603	1.0	0.851
Compound_517	CCCCCCCO	0.844	0.03	0.113	0.556	0.031	0.027	0.905	0.494	0.155	0.901	0.571
Compound_518	OC1CC(C)(C)N(C(C1)(C)C)[O]	0.393	0.39	0.015	0.553	0.03	0.331	0.164	0.485	0.29	0.2	0.771
Compound_519	CN(C(=S)SC(=S)N(C)C)C	0.427	0.095	0.107	0.48	0.109	0.657	0.194	0.806	0.96	0.999	0.577
Compound_520	Clc1cc(Cl)cc(c1)C(=O)Cl	0.956	0.138	0.864	0.768	0.175	0.172	0.999	0.998	0.737	0.997	0.523
Compound_521	NC(=O)NC1CCCCC1	0.065	0.159	0.023	0.26	0.014	0.135	0.001	0.007	0.438	0.163	0.046
Compound_522	Clc1ccc(c(c1)N(=O)=O)O	0.912	0.152	0.67	0.651	0.781	0.477	0.938	0.975	0.637	0.986	0.96
Compound_523	Cc1ccc(cc1)S(=O)(=O)OCC1OC1	0.624	0.462	0.816	0.636	0.749	0.229	0.789	0.52	0.357	0.945	0.24
Compound_524	Brc1cc(Oc2cc(Br)c(c(c2Br)Br)Br)c(c(c1Br)Br)Br	0.955	0.704	0.961	0.707	0.647	0.652	0.995	0.963	0.511	0.999	0.995
Compound_525	CCCCCC(C=CC1C(O)CC2C1CC(=CCCCC(=O)O)O2)O	0.911	0.603	0.066	0.147	0.929	0.728	0.91	0.326	0.223	0.99	0.14
Compound_526	CC(C(=O)O)S	0.246	0.207	0.026	0.156	0.12	0.065	0.984	0.172	0.535	0.105	0.506
Compound_527	C1CC2CC1C=C2	0.938	0.398	0.155	0.553	0.389	0.034	0.983	0.718	0.45	0.996	0.5
Compound_528	OC(=O)c1ccccc1Nc1ccccc1	0.673	0.722	0.446	0.268	0.607	0.499	0.989	0.117	0.714	0.105	0.89
Compound_529	N#CCCOC(=O)C1=C(C)Nc2c(C1c1ccc(cc1OC)C#N)c(OCC)ncc2C	0.703	0.792	0.397	0.66	0.532	0.598	0.872	0.768	0.602	0.449	0.957
Compound_530	CCCCCCCCCCOS(=O)(=O)O	0.976	0.019	0.048	0.28	0.182	0.238	0.949	0.592	0.061	0.845	0.317
Compound_531	CCOC(=O)C1=CC2C(C(C1)OS(=O)(=O)C)OC(O2)(C)C	0.853	0.632	0.368	0.603	0.297	0.582	0.951	0.995	0.376	0.97	0.384
Compound_532	NCC=C(CCC=C(C)C)C	0.338	0.088	0.252	0.409	0.046	0.004	0.003	0.072	0.667	0.214	0.399
Compound_533	Cc1ccc2c(n1)c(O)ccc2	0.836	0.771	0.866	0.55	0.513	0.558	0.399	0.994	0.89	0.975	0.918
Compound_534	Clc1cc(Cl)c(c(c1Cl)N)Cl	0.903	0.218	0.984	0.637	0.088	0.62	0.998	0.798	0.96	0.992	0.399
Compound_535	CN1C(=O)CN=C(c2c1ccc(c2)N(=O)=O)c1ccccc1F	0.822	0.653	0.919	0.796	0.167	0.808	0.958	0.577	0.754	0.222	0.147
Compound_536	OC(=O)CCC1CCCCC1	0.754	0.076	0.259	0.148	0.132	0.021	0.777	0.076	0.118	0.393	0.021
Compound_537	Clc1cc(Cl)cc(c1)C(CC(Cl)(Cl)Cl)(Cl)C	0.914	0.197	0.684	0.76	0.667	0.65	0.989	0.864	0.277	0.992	0.105
Compound_538	CC(C1OCC=CCO1)C	0.856	0.16	0.389	0.551	0.473	0.209	0.993	0.989	0.68	0.999	0.845
Compound_539	OCC1OC(CC1O)n1cnc2c1[nH]c(N)nc2=O	0.286	0.5	0.034	0.276	0.087	0.163	0.001	0.045	0.027	0.018	0.82
Compound_540	OC(=O)Cc1cn(nc1c1ccc(cc1)Cl)c1ccccc1	0.159	0.215	0.237	0.414	0.743	0.098	0.979	0.025	0.336	0.019	0.63
Compound_541	c1ccc(cc1)CN(c1ccccc1)CC1=NCCN1	0.041	0.375	0.028	0.154	0.093	0.584	0.003	0.023	0.185	0.015	0.057
Compound_542	CC(COC(=O)[C@@H](Cl)C)C	0.877	0.038	0.221	0.697	0.143	0.012	0.998	0.993	0.587	0.883	0.867
Compound_543	c1ccc(cc1)C=NN=Cc1ccccc1	0.345	0.714	0.706	0.542	0.108	0.508	0.827	0.311	0.791	0.976	0.883
Compound_544	CCCCN(C(=O)C)CCC(=O)OCC	0.104	0.146	0.503	0.723	0.033	0.083	0.029	0.38	0.257	0.689	0.446
Compound_545	O=CC[C@@H](CCC=C(C)C)C	0.921	0.013	0.387	0.568	0.088	0.068	0.921	0.975	0.615	0.998	0.956
Compound_546	Clc1ccccc1Cl	0.967	0.088	0.964	0.576	0.093	0.165	0.998	0.959	0.972	0.999	0.279
Compound_547	OC(=O)CCC(C(=O)O)N	0.003	0.005	0.059	0.064	0.032	0.008	0.001	0.002	0.15	0.0	0.028
Compound_548	CC(OC(=N[C@H](C(=N[C@@H](c1nc2c(s1)cc(cc2)F)C)O)C(C)C)O)C	0.661	0.68	0.589	0.319	0.441	0.783	0.356	0.251	0.775	0.718	0.672
Compound_549	CN(CCOC(=O)C(c1ccccc1)(c1ccccc1)O)C	0.028	0.457	0.023	0.141	0.16	0.094	0.003	0.002	0.278	0.0	0.013
Compound_550	OC(=O)CC(C(=O)O)O	0.284	0.054	0.015	0.147	0.072	0.098	0.037	0.359	0.208	0.006	0.055
Compound_551	COC(=O)C1CC(=O)C(CC1=O)C(=O)OC	0.69	0.176	0.137	0.5	0.112	0.097	0.982	0.969	0.384	0.083	0.315
Compound_552	O=C(c1ccc(cc1)N(=O)=O)Nc1ccc(cc1)C(=O)N	0.881	0.563	0.784	0.633	0.182	0.836	0.909	0.1	0.589	0.934	0.337
Compound_553	OC(C(C)(C)C)C=Cc1ccc2c(c1)OCO2	0.836	0.311	0.873	0.631	0.28	0.686	0.421	0.655	0.487	0.727	0.775
Compound_554	N1CCc2c(C1)cccc2	0.027	0.244	0.359	0.352	0.003	0.072	0.0	0.021	0.511	0.038	0.025
Compound_555	CC(CC(c1ccc(cc1)O)(c1ccc(cc1)O)C)C	0.946	0.643	0.898	0.614	0.969	0.99	0.979	0.921	0.527	0.935	0.703
Compound_556	CC[C@@H]1CCC(CC1)c1ccc(cc1)Br	0.961	0.287	0.39	0.591	0.193	0.598	0.779	0.751	0.521	0.998	0.51
Compound_557	CNC(=O)ON=C(C(S(=O)C)C)C	0.118	0.164	0.084	0.285	0.075	0.039	0.008	0.325	0.467	0.96	0.703
Compound_558	CCN=C1OC(C(=N1)O)c1ccccc1	0.108	0.28	0.506	0.457	0.017	0.145	0.155	0.543	0.244	0.008	0.147
Compound_559	Nc1ccc(cc1)S(=O)(=O)N=C(Nc1oc(c(n1)C)C)N	0.116	0.236	0.728	0.583	0.389	0.596	0.003	0.843	0.094	0.001	0.344
Compound_560	O=C1Cc2c(N1)cc(cc2)Cl	0.57	0.421	0.937	0.609	0.418	0.303	0.998	0.878	0.828	0.674	0.422
Compound_561	CN=C=S	0.662	0.118	0.551	0.516	0.163	0.396	0.621	0.907	0.849	0.998	0.907
Compound_562	C1CC=CCCC=C1	0.783	0.14	0.313	0.606	0.283	0.017	0.998	0.829	0.929	0.999	0.567
Compound_563	CCOC(=O)OCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.51	0.763	1.0	0.743	0.939	0.877	0.995	0.882	0.545	0.695	0.445
Compound_564	ClC(=C)Cl	0.921	0.408	0.433	0.582	0.17	0.311	0.942	0.993	0.618	1.0	0.869
Compound_565	CC(SSC(C)C)C	0.818	0.072	0.469	0.456	0.102	0.044	0.996	0.761	0.819	1.0	0.711
Compound_566	OCC(COC(=O)CS)O	0.597	0.199	0.032	0.523	0.197	0.279	0.033	0.007	0.605	0.818	0.207
Compound_567	OC[C@@H]([C@H]([C@@H](C(=O)C(=O)O)O)O)O	0.161	0.06	0.009	0.204	0.064	0.115	0.01	0.035	-0.005	0.012	0.119
Compound_568	Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1	0.099	0.583	0.013	0.074	0.49	0.13	0.025	0.049	0.399	0.0	0.146
Compound_569	O=N(=O)c1ccc(cc1)Nc1ccccc1	0.987	0.533	0.944	0.616	0.405	0.925	0.996	0.996	0.278	0.998	0.931
Compound_570	OS(=O)(=O)c1c2ccc(cc2ccc1C(C)(C)C)C(C)(C)C	0.76	0.514	0.903	0.496	0.568	0.617	0.934	0.544	0.464	0.982	0.111
Compound_571	CCCCC(COC(=O)c1ccc(cc1)N)CC	0.472	0.337	0.787	0.586	0.088	0.908	0.976	0.009	0.702	0.854	0.487
Compound_572	CCC1(C(=O)NC(=O)N(C1=O)C)c1ccccc1	0.071	0.556	0.127	0.258	0.028	0.056	0.001	0.043	0.233	0.001	0.101
Compound_573	CCCCOCCOCCOC(=O)C	0.849	0.012	0.12	0.714	0.185	0.082	0.989	0.415	0.852	0.997	0.775
Compound_574	O=C1NCCN1	0.055	0.276	0.241	0.266	0.022	0.011	0.0	0.473	0.691	0.012	0.145
Compound_575	CCCN(=O)=O	0.622	0.086	0.253	0.522	0.049	0.098	0.602	0.88	0.858	0.681	0.794
Compound_576	COCC(C(C)C)(CCC(C)C)COC	0.943	0.092	0.881	0.601	0.099	0.052	0.986	0.366	0.137	0.754	0.817
Compound_577	CCCNP(=S)(N)N	0.128	0.109	0.02	0.233	0.126	0.077	0.002	0.021	0.535	0.275	0.34
Compound_578	O[C@H]1C[C@H](C)S(=O)(=O)c2c1ccs2	0.488	0.491	0.055	0.359	0.407	0.63	0.399	0.028	0.466	0.442	0.106
Compound_579	Oc1ccc(cc1)[C@@H]1[C@@H](CC[C@@H](c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F	0.731	0.493	0.304	0.47	0.912	0.791	0.435	0.198	0.572	0.028	0.287
Compound_580	Ic1ccc(c(c1)C(=O)O)C	0.624	0.115	0.195	0.355	0.252	0.089	0.992	0.047	0.5	0.784	0.148
Compound_581	CSC(SC)(C)C	0.751	0.073	0.294	0.523	0.352	0.21	0.996	0.616	0.767	0.996	0.785
Compound_582	CCCCCCBr	0.949	0.038	0.309	0.704	0.156	0.026	0.997	0.997	0.895	1.0	0.923
Compound_583	O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.952	0.628	0.189	0.612	0.091	0.898	0.482	0.962	0.419	0.048	0.468
Compound_584	BrCc1ccccc1	0.84	0.159	0.828	0.676	0.136	0.219	0.999	0.968	0.835	0.998	0.706
Compound_585	CCCN(CCC)CCc1cccc2c1CC(=O)N2	0.053	0.514	0.158	0.108	0.022	0.032	0.454	0.039	0.666	0.7	0.205
Compound_586	CC(c1ccc(c(c1)C(=O)C)O)C	0.797	0.194	0.71	0.637	0.38	0.893	0.176	0.272	0.585	0.82	0.254
Compound_587	O=C1NC(=O)C2C1C1CC2C(C1Br)Br	0.383	0.44	0.408	0.401	0.628	0.637	0.349	0.978	0.546	0.817	0.491
Compound_588	O=S1OC[C@@H]2[C@H](CO1)C1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.921	0.841	0.521	0.661	0.834	0.419	0.997	0.984	0.087	0.999	0.431
Compound_589	Clc1ncccc1Cl	0.56	0.225	0.841	0.602	0.128	0.216	0.416	0.653	0.963	0.968	0.198
Compound_590	C=CC(=O)Nc1ccccc1	0.703	0.434	0.979	0.708	0.129	0.3	0.918	0.994	0.777	0.996	0.764
Compound_591	O=C(C(O)(C)C)c1ccc(cc1)C1(C)CC(c2c1ccc(c2)C(=O)C(O)(C)C)(C)C	0.414	0.696	0.134	0.591	0.259	0.967	0.163	0.141	0.5	0.091	0.958
Compound_592	NC1CCC(CC1)O	0.037	0.233	0.016	0.321	0.015	0.126	0.001	0.035	0.195	0.09	0.21
Compound_593	ClC(=O)c1cc(Cl)c(c(c1Cl)Cl)Cl	0.941	0.088	0.959	0.747	0.581	0.545	0.999	0.999	0.576	0.999	0.791
Compound_594	C=CC1CCC(=O)N1	0.024	0.36	0.111	0.429	0.029	0.018	0.011	0.991	0.49	0.7	0.354
Compound_595	CON=C(c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1	0.554	0.328	0.014	0.083	0.236	0.445	0.019	0.403	0.18	0.052	0.162
Compound_596	CCCCCCCCCCCl	1.001	0.043	0.309	0.704	0.469	0.269	0.998	0.997	0.178	1.0	0.907
Compound_597	CC(CCCCCCCCCCCCCCC(=O)OC(C)C)C	0.902	0.021	0.633	0.517	0.086	0.037	0.995	0.18	0.257	0.995	0.675
Compound_598	O=C1CC[C@]2(C(=CC[C@@H]3[C@H]2CC[C@]2([C@H]3CCC2C(=O)O)C)N1)C	0.398	0.818	0.008	0.311	0.594	0.833	0.008	0.839	0.081	0.093	0.063
Compound_599	COc1cc(OC)nc(n1)N	0.451	0.107	0.987	0.506	0.142	0.209	0.116	0.03	0.511	0.053	0.114
Compound_600	CC(=O)OCC1OC(=O)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.846	0.341	0.282	0.634	0.122	0.069	0.903	0.162	0.279	0.009	0.651
Compound_601	CCC(=O)Oc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OC(=O)CC)(C)C	0.803	0.566	0.765	0.764	0.685	0.705	0.999	0.928	0.297	0.983	0.887
Compound_602	COC(=O)c1c(C)nc(c(c1c1ccccc1N(=O)=O)C(=O)OC)C	0.652	0.78	0.799	0.685	0.401	0.595	0.652	0.943	0.466	0.144	0.877
Compound_603	CNCc1cccc(c1)N	0.435	0.269	0.834	0.397	0.023	0.054	0.013	0.844	0.69	0.154	0.281
Compound_604	O=C(c1ccccc1)OOC(CCC(OOC(=O)c1ccccc1)(C)C)(C)C	0.931	0.551	0.125	0.583	0.157	0.289	0.862	0.118	0.562	0.028	0.68
Compound_605	CCC12COCN2COC1	0.186	0.201	0.131	0.341	0.019	0.044	0.022	0.721	0.373	0.789	0.831
Compound_606	CC(CC(C)(C)C)CC(=O)Cl	0.954	0.076	0.181	0.562	0.136	0.09	0.991	0.991	0.477	0.983	0.909
Compound_607	CCC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C	0.688	0.609	0.334	0.596	0.905	0.213	0.786	0.989	0.445	0.999	0.992
Compound_608	Cc1cc(C)cc(c1)N	0.639	0.199	0.976	0.552	0.031	0.083	0.98	0.667	0.864	0.939	0.278
Compound_609	CC(COC(=S)S)C	0.842	0.152	0.02	0.277	0.06	0.204	0.992	0.008	0.688	0.992	0.755
Compound_610	CC=CC(=O)C1=C(C)CCCC1(C)C	0.986	0.181	0.836	0.614	0.381	0.166	0.697	0.82	0.765	0.999	0.803
Compound_611	IC(S(=O)(=O)c1ccc(cc1)C)I	0.62	0.358	0.718	0.552	0.523	0.236	0.991	0.749	0.402	0.995	0.356
Compound_612	COc1c(Cl)cc(cc1Cl)Cl	0.905	0.172	0.819	0.722	0.079	0.157	0.994	0.132	0.668	0.99	0.752
Compound_613	OC(c1ccc(c(c1)O)O)CNCCn1cnc2c1c(=O)n(C)c(=O)n2C	0.287	0.452	0.002	0.022	0.168	0.308	0.001	0.008	0.055	0.032	0.14
Compound_614	CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	0.788	0.343	0.002	0.179	0.655	0.336	0.007	0.442	0.365	0.461	0.364
Compound_615	OCCS(=O)(=O)O	0.254	0.083	0.024	0.207	0.078	0.172	0.103	0.353	0.344	0.157	0.246
Compound_616	CCCC=C(C=O)CC	0.882	0.094	0.496	0.65	0.105	0.118	0.992	0.994	0.872	1.0	0.979
Compound_617	Clc1cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)nc(n1)C	0.834	0.708	0.72	0.569	0.321	0.698	0.803	0.335	0.458	0.175	0.062
Compound_618	C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2	0.85	0.38	0.044	0.06	0.347	0.642	0.001	0.119	0.762	0.877	0.126
Compound_619	OC(=O)c1ccc(c(c1)N)Cl	0.313	0.38	0.598	0.427	0.259	0.133	0.949	0.051	0.437	0.2	0.73
Compound_620	ClCc1c(F)cccc1F	0.967	0.114	0.818	0.67	0.24	0.113	0.999	0.977	0.778	0.998	0.399
Compound_621	O=C(C(F)(F)F)NNC1=NCCNC1	0.088	0.445	0.01	0.327	0.18	0.176	0.009	0.026	0.411	0.001	0.308
Compound_622	NC(=O)c1ccccc1Cl	0.774	0.274	0.162	0.331	0.068	0.378	0.993	0.006	0.807	0.768	0.369
Compound_623	CC(c1cccc2c1CCCC2)c1ccccc1	0.719	0.508	0.743	0.485	0.528	0.567	0.989	0.516	0.618	0.999	0.92
Compound_624	Clc1cc2oc3c(c2cc1C)cc(c(c3)Cl)Cl	0.518	0.507	0.957	0.658	0.715	0.811	0.471	0.945	0.629	0.998	0.978
Compound_625	CCCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCCC)CCC)CCC	0.967	0.113	0.275	0.54	0.104	0.098	0.987	0.016	0.595	0.992	0.769
Compound_626	CCCC(C(=O)NC)(CCC)CC	0.14	0.074	0.108	0.348	0.014	0.02	0.01	0.179	0.468	0.549	0.297
Compound_627	COc1cc(Cl)ccc1Oc1ccc(cc1Cl)Cl	0.967	0.51	0.866	0.765	0.093	0.559	0.851	0.123	0.787	0.982	0.964
Compound_628	OC(=O)CCCCCCNC1c2ccccc2N(S(=O)(=O)c2c1ccc(c2)Cl)C	0.623	0.495	0.27	0.174	0.714	0.646	0.779	0.018	0.192	0.297	0.398
Compound_629	Cc1ccccc1	0.899	0.155	0.819	0.559	0.02	0.02	0.991	0.822	0.943	0.998	0.136
Compound_630	CN(CCON=C1c2ccccc2CCc2c1cccc2)C	0.285	0.636	0.082	0.118	0.23	0.37	0.03	0.011	0.232	0.083	0.458
Compound_631	C=CCOC(=O)C(=C)C	0.954	0.106	0.443	0.67	0.456	0.082	0.998	0.999	0.7	0.995	0.97
Compound_632	ClCC#N	0.953	0.204	0.273	0.649	0.223	0.094	0.879	0.999	0.988	0.976	0.94
Compound_633	CCCCCCCCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.846	0.782	1.0	0.999	0.986	1.0	0.94
Compound_634	OCCN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C	0.122	0.241	0.345	0.685	0.18	0.076	0.592	0.282	0.302	0.014	0.621
Compound_635	CNC(=O)Oc1cccc(c1)N=CN(C)C	0.387	0.495	0.16	0.414	0.178	0.448	0.015	0.974	0.304	0.031	0.162
Compound_636	CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)Cl)F	0.517	0.604	0.995	0.7	0.548	0.711	0.971	0.67	0.42	0.076	0.518
Compound_637	CN(c1ccncc1)C	0.247	0.332	0.966	0.451	0.058	0.106	0.264	0.051	0.77	0.446	0.115
Compound_638	OC(COc1c(C)cccc1C)COc1c(C)cccc1C	0.066	0.541	0.072	0.461	0.312	0.439	0.029	0.043	0.436	0.705	0.711
Compound_639	CN(CCCN1c2ccccc2CCc2c1cccc2)C	0.053	0.768	0.021	0.026	0.656	0.565	0.978	0.053	0.284	0.04	0.362
Compound_640	OCCC1CCCCN1C(=O)OC(CC)C	0.162	0.283	0.052	0.517	0.012	0.193	0.011	0.166	0.306	0.027	0.081
Compound_641	O=C=NCCCCC(CCCN=C=O)CN=C=O	0.946	0.108	0.486	0.488	0.082	0.418	0.171	0.52	0.764	0.941	0.79
Compound_642	CCOc1cc(ccc1C(=O)OCC)CC(=O)NC(c1ccccc1N1CCCCC1)CC(C)C	0.376	0.77	0.111	0.382	0.219	0.832	0.985	0.858	0.388	0.587	0.199
Compound_643	O=C(c1ccccc1O)Nc1ccccc1	0.886	0.826	0.991	0.878	0.481	0.868	0.878	0.691	0.431	0.788	0.83
Compound_644	CC(C=NC(CN1C(OCC1(C)C)C(C)C)(C)C)C	0.118	0.473	0.005	0.177	0.03	0.137	0.03	0.09	0.242	0.636	0.467
Compound_645	Fc1ccc(cc1)C1(CO1)c1ccccc1F	0.663	0.542	0.282	0.651	0.728	0.533	0.88	0.631	0.708	0.994	0.988
Compound_646	NCCCOCCOCCO	0.043	0.089	0.016	0.306	0.048	0.109	0.002	0.009	0.14	0.013	0.256
Compound_647	O=C1OC(OC1(c1ccccc1)c1ccccc1)CCN1CCCCC1	0.086	0.56	0.008	0.132	0.025	0.576	0.099	0.038	0.33	0.003	0.101
Compound_648	O=C(c1ccc(cc1)c1ccccc1)CCC(=O)O	0.731	0.685	0.466	0.246	0.335	0.66	0.994	0.185	0.442	0.003	0.028
Compound_649	Ic1cc(Cl)c2c(c1O)nccc2	0.722	0.614	0.818	0.274	0.565	0.898	0.076	0.561	0.511	0.998	0.963
Compound_650	CCCCCCCCCCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.846	0.782	1.0	0.999	0.986	1.0	0.94
Compound_651	CC(COP(=O)(OCC(C)C)OCC(C)C)C	0.842	0.121	0.236	0.517	0.08	0.037	0.992	0.111	0.472	0.991	0.571
Compound_652	CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C	0.339	0.48	0.011	0.666	0.044	0.608	0.951	0.646	0.373	0.041	0.275
Compound_653	OC(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C	0.159	0.518	0.024	0.274	0.265	0.389	0.254	0.027	0.384	0.0	0.118
Compound_654	CN1CCCC1Cc1c[nH]c2c1cc(cc2)C=CS(=O)(=O)c1ccccc1	0.443	0.577	0.325	0.223	0.546	0.684	0.971	0.227	0.406	0.13	0.128
Compound_655	Clc1ccc(c(c1)c1ccccc1Cl)Cl	0.977	0.396	0.958	0.783	0.701	0.534	0.989	0.151	0.967	0.986	0.648
Compound_656	CCc1cc(Cc2cc(CC)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O	0.655	0.541	0.228	0.624	0.782	0.993	0.069	0.962	0.95	0.999	0.92
Compound_657	CN(c1ccc(cc1)N)C	0.9	0.271	0.967	0.516	0.074	0.488	0.784	0.988	0.951	0.951	0.495
Compound_658	O=C1CCCCCN1	0.052	0.201	0.044	0.251	0.033	0.064	0.002	0.111	0.445	0.067	0.123
Compound_659	OCC(CS)S	0.23	0.552	0.051	0.388	0.158	0.262	0.905	0.035	0.635	0.558	0.335
Compound_660	CCOC(=O)C(Oc1ccc(cc1)O)C	0.323	0.169	0.883	0.772	0.374	0.092	0.311	0.396	0.403	0.062	0.162
Compound_661	CON(C(=O)Nc1ccc(c(c1)Cl)Br)C	0.952	0.444	0.992	0.88	0.49	0.898	0.893	0.654	0.629	0.952	0.647
Compound_662	ClCCOC(c1ccccc1)(c1ccccc1)c1ccccc1	0.749	0.626	0.789	0.523	0.883	0.933	0.846	0.885	0.696	0.982	0.998
Compound_663	O=C(c1ccccc1)CCN1CCCC1	0.209	0.378	0.078	0.045	0.009	0.219	0.026	0.282	0.374	0.744	0.108
Compound_664	COC(=O)c1cc(F)ccc1N	0.576	0.358	0.956	0.56	0.145	0.219	0.975	0.167	0.487	0.631	0.214
Compound_665	OC(=O)C(c1ccc(cc1)c1cccc(c1)F)C	0.084	0.306	0.102	0.29	0.138	0.085	0.964	0.009	0.244	0.443	0.123
Compound_666	ClC(C(Cl)(Cl)Cl)(Cl)Cl	0.923	0.079	0.433	0.615	0.515	0.579	0.895	0.883	0.115	0.999	0.91
Compound_667	COc1ccc(cc1)C(=C(Cl)Cl)c1ccc(cc1)OC	0.866	0.755	0.776	0.781	0.886	0.983	0.529	0.11	0.537	0.957	0.974
Compound_668	Oc1ccc(cc1Br)C(c1cc(Br)c(c(c1)Br)O)(C)C	0.976	0.512	0.722	0.68	0.685	0.813	0.994	0.987	0.464	0.996	0.989
Compound_669	O=C1C=CC(=NC(=O)C)C=C1	0.383	0.38	0.694	0.701	0.262	0.226	0.829	0.981	0.923	0.948	0.388
Compound_670	CCCCC(C=O)CC	0.928	0.03	0.272	0.553	0.043	0.173	0.988	0.522	0.72	1.0	0.926
Compound_671	CC(=C)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O	0.577	0.657	0.168	0.722	0.455	0.669	0.593	0.199	0.381	0.917	0.355
Compound_672	CCOC(=O)C(CC(=O)OCC)(CC(=O)OCC)O	0.498	0.001	0.279	0.655	0.166	0.098	0.615	0.475	0.471	0.621	0.754
Compound_673	CCCc1ncc(c(n1)N)C[n+]1ccccc1C	0.109	0.452	0.149	0.541	0.149	0.748	0.001	0.538	0.867	0.034	0.135
Compound_674	CCCCC=CCC	0.927	0.053	0.23	0.608	0.298	0.011	0.986	0.913	0.973	1.0	0.845
Compound_675	CCCCCCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_676	CCOC(=O)C=C(C(F)(F)F)NC	0.233	0.145	0.494	0.647	0.708	0.083	0.361	0.973	0.463	0.24	0.92
Compound_677	NCC1CCCN1CC	0.023	0.384	0.006	0.09	0.009	0.028	0.0	0.048	0.365	0.399	0.165
Compound_678	CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC	0.709	0.0	0.145	0.746	0.6	0.257	0.998	0.894	0.473	0.997	0.942
Compound_679	COc1cc(Cl)c(cc1NC(=O)CC(=O)C)OC	0.505	0.417	0.82	0.601	0.511	0.534	0.978	0.062	0.423	0.831	0.148
Compound_680	CCc1cc(Cl)cc(c1N)CC	0.48	0.251	0.924	0.424	0.279	0.31	0.999	0.224	0.883	0.967	0.125
Compound_681	[O-]C(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.953	0.301	0.579	0.722	0.309	0.197	0.867	0.96	0.511	0.576	0.857
Compound_682	Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1	0.415	0.515	0.868	0.841	0.193	0.588	0.013	0.042	0.058	0.688	0.428
Compound_683	Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1ccc(cc1)C(C)(C)C	0.102	0.563	0.133	0.073	0.536	0.936	0.038	0.506	0.572	0.186	0.081
Compound_684	CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1	0.053	0.617	0.319	0.42	0.568	0.75	0.022	0.634	0.41	0.065	0.57
Compound_685	CCCC(C(=O)c1ccc2c(c1)OCO2)N1CCCC1	0.193	0.605	0.703	0.175	0.096	0.499	0.051	0.414	0.363	0.891	0.389
Compound_686	CC(CC(F)(F)F)(F)F	0.924	0.087	0.582	0.656	0.241	0.015	0.991	0.643	0.733	0.999	0.803
Compound_687	CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N	0.814	0.561	0.95	0.794	0.597	0.898	0.968	0.944	0.372	0.97	0.918
Compound_688	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1	0.081	0.267	0.039	0.281	0.058	0.092	0.001	0.029	0.175	0.008	0.066
Compound_689	O=C(Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F	0.297	0.696	0.443	0.712	0.228	0.768	0.321	0.986	0.435	0.178	0.164
Compound_690	ClC(=C(Cl)Cl)CS(=O)(=O)O	0.782	0.224	0.052	0.487	0.265	0.394	0.915	0.99	0.394	0.756	0.292
Compound_691	OCCC(O)C	0.631	0.118	0.046	0.456	0.029	0.014	0.551	0.057	0.04	0.016	0.138
Compound_692	Fc1cc2CCC(n3c2c(c1)c(=O)c(c3)C(=O)O)C	0.592	0.142	0.083	0.339	0.342	0.097	0.416	0.031	0.396	0.02	0.2
Compound_693	N#Cc1c(sc(c1CC(=O)O)C(=O)O)N(CC(=O)O)CC(=O)O	0.416	0.387	0.08	0.281	0.346	0.315	0.064	0.509	0.424	0.042	0.672
Compound_694	Brc1ccc2c(c1)Cc1c2ccc(c1)I	0.909	0.614	0.948	0.774	0.615	0.628	0.925	0.826	0.553	1.0	0.797
Compound_695	O=C(Oc1ccccc1)OCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.613	0.705	0.999	0.765	0.98	0.869	0.99	0.914	0.608	0.429	0.423
Compound_696	CC(C1=NCCN1)Oc1c(Cl)cccc1Cl	0.054	0.409	0.135	0.3	0.173	0.351	0.0	0.028	0.141	0.008	0.04
Compound_697	CCCCCCC(CCCCCCCCCCC(=O)O)O	0.777	0.038	0.05	0.137	0.097	0.057	0.976	0.774	0.043	0.756	0.065
Compound_698	CC1CCC(C(C1)O)C(=C)C	0.959	0.315	0.034	0.49	0.175	0.013	0.52	0.806	0.375	0.913	0.641
Compound_699	OCCCCCC(C)C	0.844	0.097	0.477	0.527	0.048	0.027	0.889	0.164	0.053	0.264	0.356
Compound_700	ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl	0.953	0.769	0.69	0.734	0.921	0.631	0.984	0.944	0.255	0.999	0.601
Compound_701	OC(=O)CCCOc1ccc(cc1C)Cl	0.111	0.254	0.852	0.636	0.241	0.128	0.264	0.152	0.534	0.236	0.043
Compound_702	CC(=O)Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(C)cc(c1O)C(C)(C)C	0.527	0.556	0.491	0.575	0.939	0.938	0.2	0.748	0.939	0.439	0.228
Compound_703	CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2CC(=CC1)C(=O)O)(C)C	0.604	0.576	0.086	0.427	0.869	0.697	0.787	0.867	0.553	0.993	0.711
Compound_704	O=C(C(C(=O)C)N=Nc1ccccc1C(=O)O)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.481	0.579	0.788	0.392	0.3	0.652	0.31	0.174	0.511	0.459	0.423
Compound_705	O=C=Nc1cccc(c1C)N=C=O	0.831	0.448	0.93	0.631	0.164	0.098	0.99	0.745	0.827	0.757	0.419
Compound_706	O=C1C=CC2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C	0.988	1.0	0.494	0.896	0.935	0.934	0.016	0.753	0.138	0.998	0.5
Compound_707	CC(=O)OC=C	0.803	0.064	0.365	0.537	0.092	0.01	0.991	0.982	0.931	0.998	0.834
Compound_708	ClC(=O)c1snc(c1Cl)Cl	0.673	0.596	0.814	0.676	0.373	0.509	0.999	0.969	0.89	0.953	0.866
Compound_709	CCOC(=O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O	0.652	0.437	0.995	0.578	0.789	0.669	0.87	0.551	0.32	0.122	0.741
Compound_710	CN(CCc1c[nH]c2c1c(ccc2)OP(=O)(O)O)C	0.215	0.556	0.039	0.149	0.555	0.618	0.005	0.01	0.267	0.057	0.354
Compound_711	COC1CC(CCC1O)CC(C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(CCC2C)CC(OC)C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)C1)C)C)O)OC)C)C)C)C	0.952	0.847	0.057	0.779	0.424	0.898	0.008	0.997	0.84	0.43	0.404
Compound_712	NC(=O)C(CBr)Br	0.186	0.061	0.084	0.371	0.574	0.103	0.727	0.701	0.428	0.683	0.467
Compound_713	Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1	0.053	0.24	0.016	0.101	0.136	0.403	0.135	0.005	0.086	0.009	0.105
Compound_714	OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C	0.174	0.504	0.203	0.337	0.728	0.698	0.997	0.1	0.268	0.178	0.874
Compound_715	Clc1ccc(c(c1)Cl)C(F)(F)F	0.97	0.21	0.591	0.71	0.678	0.209	0.993	0.96	0.681	1.0	0.484
Compound_716	O=C(CC(CC(C)(C)C)C)OOC(C)(C)C	0.896	0.032	0.082	0.362	0.126	0.044	0.594	0.67	0.217	0.775	0.57
Compound_717	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=CC=C1C[C@@H](O)C[C@@H](C1=C)O)C)C	0.937	1.0	0.778	0.739	0.905	0.928	0.169	0.996	0.058	0.993	0.918
Compound_718	O=S1(=O)C[C@]23[C@@]4(N1O4)CC(C3(C)C)CC2	0.595	0.719	0.003	0.419	0.555	0.586	0.057	0.655	0.376	0.281	0.372
Compound_719	CC(c1ccc(cc1)OP(=O)(Oc1cccc(c1)C(C)C)O)C	0.555	0.516	0.676	0.428	0.803	0.141	0.944	0.004	0.333	0.744	0.541
Compound_720	CCOC(=O)C(C(=O)OCC)F	0.872	0.072	0.647	0.687	0.109	0.057	0.878	0.987	0.433	0.696	0.884
Compound_721	CC(C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C)C	0.032	0.339	0.084	0.178	0.111	0.378	0.657	0.116	0.461	0.192	0.467
Compound_722	OC(c1cc(Cl)c(c(c1)Cl)N)CNC(C)C	0.033	0.282	0.113	0.161	0.133	0.219	0.001	0.013	0.141	0.006	0.208
Compound_723	NC(=NN(=O)=O)N	0.519	0.113	0.424	0.438	0.539	0.073	0.003	0.857	0.612	0.806	0.689
Compound_724	OCCOc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ncccn1	0.364	0.498	0.047	0.293	0.5	0.58	0.881	0.589	0.351	0.668	0.186
Compound_725	O=N(=O)c1c(C)cccc1N(=O)=O	0.951	0.235	0.787	0.537	0.386	0.028	0.995	0.994	0.712	0.999	0.917
Compound_726	CCOC(=O)CN	0.157	0.087	0.101	0.528	0.03	0.001	0.001	0.001	0.199	0.048	0.249
Compound_727	COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)c1ccc(cc1)F	0.488	0.715	0.632	0.511	0.526	0.75	0.989	0.328	0.493	0.453	0.862
Compound_728	O=c1sc2c([nH]1)cccc2	0.638	0.479	0.896	0.481	0.522	0.147	0.856	0.347	0.44	0.8	0.509
Compound_729	CN(CN(C)C)C	0.514	0.151	0.044	0.206	0.136	0.016	0.018	0.937	0.635	0.502	0.268
Compound_730	SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C	0.027	0.391	0.012	0.113	0.131	0.136	0.432	0.027	0.2	0.005	0.083
Compound_731	CCC(c1cc(O)c(cc1O)C(CC)(C)C)(C)C	0.873	0.112	0.582	0.594	0.705	0.566	0.112	0.988	0.643	0.987	0.514
Compound_732	CSCC(=O)OCC	0.597	0.074	0.634	0.617	0.101	0.037	0.983	0.754	0.531	0.962	0.913
Compound_733	OCCC(C)C	0.636	0.077	0.601	0.479	0.02	0.011	0.952	0.073	0.043	0.041	0.444
Compound_734	CNCCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N	0.055	0.369	0.042	0.332	0.155	0.385	0.004	0.102	0.455	0.001	0.078
Compound_735	BrCCC(=O)N1CCN(CC1)C(=O)CCBr	0.061	0.259	0.277	0.648	0.091	0.099	0.008	0.996	0.367	0.604	0.424
Compound_736	N1CCNCC1	0.041	0.057	0.038	0.368	0.006	0.001	0.0	0.022	0.119	0.011	0.087
Compound_737	O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O	0.952	0.868	0.933	0.652	0.905	0.763	0.568	0.971	0.436	0.808	0.764
Compound_738	CCCSP(=O)(Oc1ccc(cc1Cl)Br)OCC	0.952	0.585	0.985	0.716	0.665	0.618	0.974	0.851	0.483	0.994	0.77
Compound_739	CCCCCCCCCCCCC([NH+](C)C)C	0.312	0.217	0.321	0.51	0.034	0.489	0.427	0.914	0.511	0.546	0.52
Compound_740	OC1C=Cc2c(C1O)cc1c(c2)cccc1	0.338	0.642	0.668	0.593	0.396	0.702	0.636	0.887	0.763	0.924	0.978
Compound_741	OCCCn1c(C)ncc1N(=O)=O	0.063	0.225	0.099	0.364	0.131	0.119	0.004	0.039	0.1	0.001	0.532
Compound_742	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(N(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.752	0.099	0.349	0.419	0.385	0.207	0.99	0.486	0.183	0.993	0.86
Compound_743	CCn1c2ccccc2c2c1cccc2	0.905	0.536	0.902	0.596	0.646	0.767	0.837	0.635	0.47	0.97	0.717
Compound_744	CC(Nc1[nH]c(N)nc(=O)n1)(C)C	0.117	0.267	0.163	0.341	0.011	0.087	0.009	0.025	0.102	0.046	0.171
Compound_745	COc1cc2c(cc1OC)CCN1C2CC(=O)C(C1)CC(C)C	0.36	0.626	0.679	0.297	0.008	0.48	0.0	0.145	0.565	0.039	0.109
Compound_746	CN(C(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1)C	0.334	0.573	0.084	0.18	0.617	0.787	0.878	0.135	0.37	0.384	0.419
Compound_747	CN1C(=O)CC(C1=O)(C)c1ccccc1	0.182	0.438	0.404	0.541	0.021	0.081	0.053	0.024	0.532	0.001	0.4
Compound_748	OCCN(CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C)CC	0.351	0.58	0.015	0.189	0.226	0.467	0.011	0.061	0.077	0.085	0.205
Compound_749	CN(C1CCCCC1)C	0.707	0.275	0.023	0.151	0.036	0.401	0.006	0.624	0.473	0.33	0.212
Compound_750	CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C	0.785	0.656	0.156	0.221	0.427	0.652	0.224	0.38	0.165	0.811	0.298
Compound_751	[NH3+]CCc1cccs1	0.279	0.345	0.383	0.384	0.079	0.559	0.038	0.692	0.722	0.273	0.354
Compound_752	CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C	0.952	0.769	0.316	0.319	0.067	0.56	0.811	0.101	0.416	0.538	0.579
Compound_753	CCOC(C(C(F)(F)F)(C(F)(F)F)F)(F)F	0.898	0.108	0.881	0.667	0.192	0.042	0.99	0.843	0.319	0.997	0.965
Compound_754	COC(=O)c1cccc(c1)O	0.751	0.116	0.741	0.617	0.423	0.149	0.83	0.113	0.368	0.025	0.055
Compound_755	CC(CCCC(N)C)C	0.158	0.031	0.443	0.356	0.02	0.054	0.002	0.019	0.421	0.124	0.065
Compound_756	OCC1CCCN1c1ncc(c(n1)NCc1ccc(c(c1)Cl)OC)C(=O)O	0.458	0.573	0.035	0.468	0.485	0.543	0.145	0.791	0.302	0.777	0.737
Compound_757	OCNC(=O)C=C	0.136	0.041	0.09	0.463	0.122	0.057	0.033	0.983	0.482	0.053	0.687
Compound_758	OC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.518	0.049	0.998	0.873	0.088	0.354	0.918
Compound_759	OCC(=O)[C@@]1(OC(=O)c2ccccc2)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F	0.916	0.99	0.249	0.969	0.454	0.97	0.304	0.082	0.116	0.133	0.055
Compound_760	O=CC(Cc1ccc(cc1)C(C)(C)C)C	0.672	0.108	0.469	0.533	0.069	0.309	0.788	0.365	0.796	0.966	0.332
Compound_761	Cc1cc(C)cc(c1)O	0.745	0.106	0.936	0.606	0.174	0.055	0.433	0.878	0.809	0.456	0.105
Compound_762	C=CC(=C)Cl	0.926	0.306	0.554	0.677	0.3	0.013	0.997	0.994	0.886	1.0	0.925
Compound_763	NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N	0.948	0.556	0.363	0.68	0.48	0.956	0.149	0.952	0.608	0.771	0.336
Compound_764	N#CC(CC(=O)c1ccccc1F)C#N	0.956	0.2	0.061	0.585	0.228	0.162	0.875	0.984	0.57	0.77	0.903
Compound_765	CCCCCCCCN	0.297	0.023	0.057	0.403	0.031	0.069	0.003	0.033	0.773	0.955	0.223
Compound_766	NC(=O)C(Br)(Br)Br	0.445	0.077	0.034	0.374	0.5	0.124	0.26	0.284	0.864	0.784	0.638
Compound_767	CNC(C)C	0.077	0.023	0.106	0.319	0.011	0.006	0.001	0.041	0.067	0.947	0.449
Compound_768	C=CCC#N	0.922	0.22	0.183	0.611	0.396	0.017	0.993	0.992	0.452	0.972	0.878
Compound_769	CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.992	0.135	0.605	0.695	0.442	0.057	0.999	0.523	0.223	1.0	0.855
Compound_770	Cc1ccc(cc1)O	0.829	0.12	0.81	0.654	0.238	0.452	0.167	0.456	0.778	0.682	0.087
Compound_771	CCP(=S)(Sc1ccccc1)OCC	0.689	0.314	0.663	0.678	0.624	0.551	0.999	0.507	0.546	0.998	0.676
Compound_772	OCC(COC1CCCCC1)O	0.837	0.257	0.015	0.425	0.15	0.404	0.449	0.026	0.121	0.532	0.091
Compound_773	CCCCCCCCCCCCCCCCOCC(CN(C(=O)CCCCCCCCCCCCCCC)CCO)O	0.368	0.114	0.067	0.57	0.06	0.701	0.243	0.172	0.322	0.104	0.127
Compound_774	CCc1ccc(cc1)CC	0.753	0.126	0.641	0.578	0.06	0.072	0.995	0.695	0.911	0.996	0.244
Compound_775	CCC(C(=O)Nc1ccc(c(c1)Cl)NC(=O)C(N1C(=O)OC(C1=O)(C)C)OC(C)(C)C)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.608	0.653	0.368	0.689	0.557	0.752	0.945	0.663	0.423	0.934	0.419
Compound_776	OC(COc1ccc(cc1)COCCOC(C(=O)O)C)CNC(C)C	0.01	0.47	0.004	0.295	0.057	0.007	0.014	0.002	0.185	0.018	0.015
Compound_777	CN1C(C)(C)CC(CC1(C)C)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C(C1)(C)C)C	0.317	0.605	0.021	0.226	0.008	0.178	0.403	0.222	0.105	0.475	0.334
Compound_778	N#Cc1cccnc1	0.578	0.254	0.575	0.563	0.078	0.082	0.013	0.013	0.809	0.917	0.689
Compound_779	OC(=O)Cc1ccc(cc1Cl)Cl	0.063	0.102	0.19	0.345	0.737	0.151	0.996	0.102	0.214	0.644	0.127
Compound_780	NC(=S)c1c(Cl)cccc1Cl	0.686	0.245	0.236	0.528	0.164	0.451	0.99	0.421	0.701	0.993	0.375
Compound_781	CCCCCCCCCCCCCCCC[N+](CC)(C)C	0.919	0.773	0.038	0.666	0.052	0.843	0.992	0.235	0.95	0.075	0.238
Compound_782	OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1	0.053	0.519	0.811	0.144	0.673	0.584	0.956	0.277	0.279	0.001	0.066
Compound_783	CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C	0.653	0.759	0.21	0.56	0.5	0.694	0.977	0.688	0.616	0.896	0.629
Compound_784	Fc1nc(Nc2ccc3c(c2)cc(c(c3O)N)S(=O)(=O)O)c(c(n1)F)Cl	0.618	0.307	1.001	0.604	0.813	0.659	0.939	0.939	0.537	0.458	0.648
Compound_785	N#Cc1ccc(cc1)Nc1nc(O)cc(=O)[nH]1	0.358	0.493	0.317	0.491	0.818	0.642	0.561	0.335	0.698	0.009	0.664
Compound_786	ClC=CCl	0.909	0.064	0.433	0.565	0.362	0.08	0.952	0.984	0.952	0.999	0.908
Compound_787	Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N	0.949	0.787	0.981	0.875	0.653	0.778	0.999	0.942	0.95	0.988	0.918
Compound_788	NC(=O)c1c(Cl)cccc1Cl	0.806	0.274	0.162	0.38	0.152	0.42	0.993	0.011	0.552	0.768	0.369
Compound_789	COC(=O)c1cc(Cl)c(cc1OC)NC(=O)C	0.182	0.492	0.903	0.507	0.192	0.429	0.756	0.011	0.466	0.805	0.145
Compound_790	CN(S(=O)(=O)c1ccccc1)CC(=O)O	0.116	0.342	0.031	0.127	0.104	0.113	0.063	0.019	0.34	0.005	0.11
Compound_791	c1ccc2c(c1)cc(cc2)c1cc2c(s1)cccc2	0.951	0.768	0.988	0.878	0.694	0.587	0.993	0.872	0.919	0.996	0.168
Compound_792	Cc1ccccc1N	0.684	0.226	0.968	0.554	0.046	0.065	0.984	0.97	0.796	0.972	0.422
Compound_793	CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC	0.592	0.471	0.921	0.573	0.509	0.308	0.054	0.043	0.058	0.883	0.295
Compound_794	CC(=O)N(c1ccccc1)c1ccccc1	0.881	0.703	0.865	0.478	0.356	0.537	0.958	0.09	0.391	0.987	0.748
Compound_795	N[C@H](C(S)(C)C)C(=O)O	0.007	0.152	0.009	0.107	0.059	0.013	0.002	0.007	0.207	0.001	0.261
Compound_796	CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC	0.522	0.648	0.935	0.569	0.087	0.345	0.227	0.523	0.317	0.943	0.585
Compound_797	O=C(c1ccc(cc1)Br)c1ccc(cc1)Br	0.978	0.574	0.604	0.649	0.195	0.644	0.962	0.609	0.6	0.998	0.952
Compound_798	CNC(=O)ON=C(SC)C	0.101	0.134	0.201	0.331	0.078	0.02	0.006	0.775	0.565	0.956	0.801
Compound_799	OCCOCC#CCOCCO	0.577	0.129	0.086	0.469	0.183	0.888	0.509	0.215	0.298	0.653	0.578
Compound_800	COc1ccc(cc1)CN(c1ccccn1)CCN(C)C	0.034	0.59	0.016	0.094	0.05	0.098	0.002	0.005	0.353	0.031	0.101
Compound_801	CNc1ccc(cc1)C(c1ccc(cc1)N(C)C)(c1ccc(cc1)N(C)C)O	0.643	0.593	0.856	0.457	0.795	0.916	0.896	0.385	0.688	0.271	0.965
Compound_802	ClC=C	0.92	0.063	0.433	0.578	0.293	0.055	0.958	0.988	0.891	0.999	0.889
Compound_803	CN(N)C	0.505	0.088	0.502	0.498	0.248	0.08	0.058	0.722	0.79	0.946	0.346
Compound_804	CCCCC(CNC1(C=CCc2c1cccc2)N=Nc1ccc(cc1C)N=Nc1ccccc1C)CC	0.57	0.557	0.433	0.529	0.786	0.96	0.918	0.375	0.679	0.863	0.261
Compound_805	Oc1ccc2c(c1)ccc(c2)Br	0.975	0.771	0.904	0.544	0.601	0.615	0.999	0.603	0.621	0.998	0.993
Compound_806	OOC(c1ccccc1)C	0.566	0.236	0.824	0.536	0.054	0.133	0.982	0.249	0.415	0.92	0.365
Compound_807	CCC1(CCC(=O)NC1=O)c1ccccc1	0.023	0.557	0.095	0.326	0.007	0.166	0.006	0.081	0.545	0.02	0.163
Compound_808	Cc1cc(C)c(c(c1C)O)C	0.64	0.084	0.502	0.609	0.117	0.089	0.605	0.932	0.919	0.982	0.43
Compound_809	CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1oc(=O)oc1C)C(O)(C)C	0.677	0.759	0.182	0.579	0.702	0.706	0.981	0.914	0.485	0.879	0.621
Compound_810	CC(C(=O)C(Cl)C)(CO)Cl	0.913	0.092	0.117	0.689	0.198	0.097	0.994	0.398	0.419	0.122	0.914
Compound_811	OCCN(CC(Cn1cnc2c1c(=O)n(C)c(=O)n2C)O)C	0.085	0.529	0.013	0.237	0.13	0.098	0.001	0.055	0.037	0.058	0.272
Compound_812	Clc1cc(Cl)c(c(c1)Cl)c1c(Cl)cccc1Cl	0.986	0.396	0.927	0.693	0.901	0.712	0.98	0.218	0.677	0.986	0.648
Compound_813	OCCN(CC(c1ccccc1)O)Cc1ccccc1	0.005	0.279	0.089	0.069	0.072	0.527	0.003	0.044	0.05	0.075	0.055
Compound_814	CC(CCCCCOP(=S)(OCCCCCC(C)C)S)C	0.88	0.101	0.242	0.372	0.167	0.075	0.999	0.021	0.276	0.997	0.631
Compound_815	S=C1NCCN1	0.061	0.296	0.22	0.341	0.022	0.074	0.0	0.753	0.89	0.56	0.41
Compound_816	OCCCCOC=C	0.542	0.44	0.043	0.465	0.127	0.138	0.979	0.484	0.124	0.776	0.778
Compound_817	CO/N=C(\c1ccccc1COc1cc(C)ccc1C)/C(=O)NC	0.165	0.745	0.707	0.453	0.082	0.614	0.594	0.437	0.439	0.659	0.613
Compound_818	CCOC(=O)c1sc(nc1C)c1ccc(c(c1)C=O)OCC(C)C	0.477	0.713	0.988	0.757	0.372	0.839	0.954	0.912	0.742	0.328	0.887
Compound_819	CCC1(C)OOC(C)(CC)OOC(OO1)(C)CC	0.777	0.18	0.157	0.504	0.113	0.389	0.995	0.122	0.427	0.973	0.407
Compound_820	C=CC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.002	0.07	0.573	0.813	0.944	0.571	1.0	0.998	0.382	0.974	0.937
Compound_821	OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1	0.459	0.464	0.249	0.518	0.753	0.825	0.954	0.641	0.058	0.866	0.642
Compound_822	C[n+]1c(cc(n1C)c1ccccc1)c1ccccc1	0.467	0.639	0.499	0.668	0.267	0.898	0.435	0.962	0.642	0.177	0.465
Compound_823	Clc1c(N)cccc1Cl	0.915	0.218	0.997	0.605	0.127	0.222	0.997	0.981	0.943	0.992	0.399
Compound_824	FC(=O)C(C(F)(F)F)(F)F	0.914	0.076	0.704	0.67	0.313	0.03	0.972	0.942	0.281	0.999	0.974
Compound_825	N#Cc1ccc(cc1)Nc1nc(N)c(c(n1)Oc1c(C)cc(cc1C)C#N)Br	0.694	0.462	0.925	0.65	0.744	0.801	0.855	0.883	0.913	0.192	0.593
Compound_826	COc1cc(Cc2cnc(n(=O)c2N)N)cc(c1OC)OC	0.095	0.49	0.627	0.448	0.229	0.222	0.015	0.033	0.948	0.02	0.799
Compound_827	COc1ccc(c(c1)O)C(=O)c1ccc(cc1O)OC	0.935	0.787	0.962	0.833	0.924	0.918	0.99	0.047	0.714	0.163	0.893
Compound_828	Cc1ccc2c(c1)nc(o2)c1ccc(cc1)C=Cc1ccc(c(c1O)O)c1nc2c(o1)cccc2	0.34	0.811	0.996	0.776	0.811	0.652	0.813	0.995	0.855	0.819	0.845
Compound_829	CNC(C(c1ccc(cc1)O)O)C	0.011	0.2	0.021	0.141	0.048	0.021	0.0	0.008	0.058	0.021	0.105
Compound_830	OC(=O)C(c1ccc(cc1)C#CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)(C)C	0.024	0.491	0.179	0.121	0.585	0.937	0.08	0.015	0.146	0.001	0.113
Compound_831	COC(C)(C)C	0.842	0.042	0.054	0.492	0.018	0.012	0.901	0.551	0.845	0.984	0.847
Compound_832	CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)c1ccc(cc1Cl)Cl	0.394	0.611	0.447	0.582	0.537	0.686	0.963	0.928	0.14	0.076	0.918
Compound_833	COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F	0.462	0.412	0.071	0.443	0.423	0.616	0.403	0.948	0.303	0.864	0.683
Compound_834	O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)COc1ccccc1	0.097	0.364	0.002	0.139	0.198	0.066	0.014	0.225	0.143	0.016	0.11
Compound_835	O=C1CCC2N1C(OC2=O)C(C)(C)C	0.186	0.335	0.104	0.451	0.089	0.136	0.216	0.375	0.393	0.033	0.386
Compound_836	O=C(N1CCCCC1)SC(c1ccccc1)(C)C	0.294	0.389	0.314	0.51	0.021	0.101	0.003	0.902	0.335	0.081	0.062
Compound_837	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@H]([C@]2(O)C(=O)COC(=O)c1ccncc1)C)C)C	0.798	0.96	0.968	0.98	0.093	0.816	0.18	0.055	0.354	0.451	0.059
Compound_838	CC(C1=CC2=CCC3C(C2CC1)(C)CCCC13C(=O)OCC23CC1(C2)C3)C	0.945	0.602	0.77	0.596	0.832	0.657	0.703	0.97	0.341	0.999	0.231
Compound_839	Fc1c(F)c(F)c(c(c1F)Br)F	0.97	0.093	0.848	0.601	0.378	0.23	0.997	0.911	0.616	1.0	0.447
Compound_840	CCOC(=O)c1ccc(cc1)O	0.619	0.148	0.987	0.715	0.872	0.915	0.829	0.022	0.741	0.031	0.128
Compound_841	CCOc1ccc(cc1)C(c1cc(Br)ccc1Cl)OCc1ccccc1	0.559	0.578	0.93	0.673	0.711	0.679	0.101	0.957	0.417	0.998	0.989
Compound_842	O[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CCC2)ccc1O)O	0.555	0.52	0.008	0.307	0.905	0.611	0.016	0.039	0.058	0.849	0.37
Compound_843	O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C	0.607	0.448	0.614	0.387	0.692	0.698	0.602	0.698	0.333	0.735	0.467
Compound_844	OCC(COc1ccc(cc1)Cl)O	0.101	0.132	0.443	0.509	0.236	0.17	0.04	0.028	0.086	0.33	0.205
Compound_845	Fc1ccc(cc1)c1cccs1	0.976	0.728	0.876	0.771	0.226	0.545	0.998	0.663	0.998	0.98	0.073
Compound_846	CCOCC(OCC(O)C)C	0.592	0.108	0.168	0.501	0.15	0.174	0.753	0.059	0.196	0.746	0.672
Compound_847	C=CCN1CC[C@@]23[C@H]([C@H]1Cc1c3cc(cc1)O)CCCC2	0.379	0.581	0.306	0.369	0.601	0.906	0.013	0.946	0.058	0.591	0.511
Compound_848	CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O	0.947	0.415	0.885	0.556	0.917	0.918	0.943	0.344	0.284	0.775	0.746
Compound_849	ClCCCC1(C)OCC(CO1)(C)C	0.888	0.219	0.201	0.684	0.257	0.286	0.989	0.99	0.105	0.966	0.679
Compound_850	OC(=O)CCCc1ccccc1	0.338	0.062	0.313	0.163	0.092	0.029	0.996	0.008	0.36	0.002	0.003
Compound_851	CCCCC(CNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCC(CCCC)CC)CC	0.688	0.703	0.665	0.586	0.663	0.528	0.137	0.757	0.697	0.575	0.873
Compound_852	CCCC(C(=N)O)CCC	0.647	0.112	0.038	0.313	0.039	0.022	0.288	0.032	0.538	0.49	0.377
Compound_853	COC(C(C=C(C=CC1NC(=O)C(CCCN=C(N)N)NC(=O)C(C)C(NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC(=O)C1C)C(=O)O)C)C)C(=O)O)C)C)Cc1ccccc1	0.558	0.518	0.224	0.343	0.15	0.473	0.017	0.865	0.406	0.041	0.374
Compound_854	CCOC(=O)C(C(=O)C)F	0.785	0.08	0.896	0.706	0.102	0.06	0.994	0.983	0.382	0.329	0.896
Compound_855	CC(COc1c(C)cccc1C)N	0.036	0.161	0.49	0.416	0.017	0.152	0.007	0.149	0.588	0.041	0.125
Compound_856	N#CC1CC2C(N1C(=O)C(C13CC4CC(C1)CC(C3)(C4)O)NC(=O)OC(C)(C)C)C2	0.14	0.495	0.012	0.385	0.747	0.557	0.598	0.794	0.4	0.86	0.52
Compound_857	CCOC(=O)c1ocnc1C	0.224	0.281	0.964	0.469	0.216	0.494	0.301	0.015	0.482	0.047	0.744
Compound_858	NP(=N)(c1ccccc1)c1ccccc1	0.575	0.494	0.202	0.324	0.765	0.337	0.995	0.008	0.959	0.118	0.583
Compound_859	COCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(n1)OC	0.163	0.609	0.28	0.277	0.306	0.39	0.021	0.42	0.412	0.144	0.362
Compound_860	OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C	0.052	0.638	0.45	0.121	0.853	0.662	0.1	0.001	0.129	0.101	0.25
Compound_861	BrC(N(=O)=O)Br	0.745	0.088	0.418	0.605	0.482	0.288	0.555	0.998	0.901	0.999	0.839
Compound_862	CCOC(=O)c1ccccc1	0.587	0.161	0.961	0.628	0.049	0.129	0.993	0.012	0.481	0.677	0.459
Compound_863	NCCCCCCCCCCC(=O)O	0.058	0.056	0.048	0.065	0.031	0.018	0.001	0.0	0.043	0.001	0.041
Compound_864	OCC[C@@H]1CCCC[NH2+]1	0.013	0.184	0.106	0.402	0.004	0.037	0.0	0.272	0.049	0.008	0.093
Compound_865	NC(=O)N=NC(=O)N	0.586	0.113	0.087	0.359	0.356	0.027	0.004	0.807	0.814	0.083	0.449
Compound_866	FC(N1C(F)(F)C(F)(F)OC(C1(F)F)(F)F)(F)F	0.55	0.31	0.297	0.352	0.194	0.02	0.338	0.997	0.333	0.944	0.457
Compound_867	Cc1ccc(cc1)C(=CCN1CCCC1)c1ccccn1	0.177	0.615	0.022	0.202	0.083	0.744	0.029	0.043	0.598	0.067	0.076
Compound_868	CC(=O)Oc1c(C)ncc2c1COC(OC2)C(C)C	0.388	0.55	0.657	0.473	0.111	0.316	0.01	0.139	0.511	0.98	0.749
Compound_869	Cc1ccc(c(c1)C)C(c1cccc(c1O)O)C	0.761	0.52	0.816	0.611	0.818	0.314	0.353	0.929	0.816	0.989	0.862
Compound_870	CNCC(C1(O)CCCCC1)c1ccc(cc1)OC	0.027	0.429	0.012	0.307	0.187	0.73	0.058	0.018	0.258	0.001	0.079
Compound_871	CC(Oc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(cc1)N)C	0.173	0.326	0.08	0.196	0.282	0.749	0.325	0.031	0.255	0.004	0.146
Compound_872	COc1ccc2c(c1)C(=O)N(C(=O)C2(C)C)CCc1ccc(cc1)S(=O)(=O)N	0.037	0.711	0.033	0.308	0.31	0.764	0.771	0.441	0.244	0.112	0.166
Compound_873	O=C1Oc2c(=C1c1ccc(cc1)OCC1CCCO1)cc1c(=C(C(=O)O1)c1ccccc1)c2	0.478	0.769	0.107	0.44	0.973	0.843	0.981	0.829	0.306	0.99	0.855
Compound_874	C1CCC(NC1)CC(C1CCCCC1)C1CCCCC1	0.321	0.191	0.01	0.256	0.098	0.627	0.09	0.013	0.95	0.037	0.012
Compound_875	O[C@H]1c2ccccc2N(c2c([C@@H]1O)cccc2)C(=O)N	0.121	0.52	0.024	0.166	0.787	0.373	0.764	0.003	0.125	0.015	0.287
Compound_876	CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(cn2)c1ccc(cc1)Cl)C(=O)c1c(Cl)cccc1Cl)F	0.653	0.627	0.999	0.734	0.663	0.752	0.991	0.737	0.411	0.234	0.469
Compound_877	Oc1ccc(c(c1)N(=O)=O)N	0.931	0.139	0.898	0.539	0.754	0.189	0.96	0.984	0.759	0.653	0.951
Compound_878	CCCC	0.879	0.066	0.287	0.56	0.037	0.007	0.992	0.894	0.89	0.998	0.798
Compound_879	Clc1ssc(=O)c1Cl	0.912	0.659	0.725	0.56	0.554	0.098	0.997	0.129	0.944	1.0	0.769
Compound_880	OC(=O)[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)[n+]1nc(c(nc1N)N)c1cccc(c1Cl)Cl	0.553	0.564	0.58	0.577	0.186	0.378	0.036	0.776	0.102	0.144	0.716
Compound_881	c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2	0.05	0.644	0.777	0.198	0.075	0.369	0.004	0.024	0.22	0.665	0.493
Compound_882	CC(CC(C)(C)C)CCOC(=O)C	0.837	0.025	0.127	0.486	0.17	0.067	0.971	0.228	0.742	0.735	0.691
Compound_883	OC(=O)c1ccc(cc1N)S(=O)(=O)O	0.214	0.194	0.936	0.292	0.591	0.532	0.222	0.02	0.4	0.003	0.193
Compound_884	CCOC(=O)CC(=O)C	0.691	0.041	0.515	0.634	0.076	0.056	0.994	0.72	0.435	0.629	0.862
Compound_885	CCCCCCCCCC(=O)C	0.979	0.019	0.255	0.548	0.048	0.024	0.991	0.639	0.588	1.0	0.929
Compound_886	CSc1nc(N)nc2c1[nH]cn2	0.489	0.623	0.948	0.315	0.371	0.688	0.002	0.115	0.511	0.731	0.693
Compound_887	NC(=O)Nc1cc(ccc1N=Nc1ccc(cc1S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)Nc1nc(F)nc(n1)NCCS(=O)(=O)O	0.674	0.462	0.981	0.413	0.721	0.656	0.342	0.091	0.412	0.005	0.538
Compound_888	CN(C(=O)C(c1ccccc1)c1ccccc1)C	0.081	0.649	0.776	0.464	0.02	0.304	0.578	0.005	0.306	0.611	0.258
Compound_889	O=C1OC(=O)C2C1CC=CC2	0.689	0.187	0.279	0.632	0.378	0.087	0.984	0.989	0.919	0.926	0.576
Compound_890	CC(=O)NCCCS(=O)(=O)O	0.011	0.077	0.015	0.15	0.04	0.112	0.001	0.046	0.393	0.016	0.327
Compound_891	Nc1ccc(cc1)N=Nc1ccccc1	0.996	0.871	0.992	0.726	0.385	0.971	0.998	0.995	0.954	0.989	0.847
Compound_892	CCCCCCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.875	0.012	0.172	0.684	0.087	0.055	0.999	0.565	0.634	0.997	0.905
Compound_893	C=CCOc1ccccc1C(=O)CC	0.518	0.424	0.772	0.624	0.094	0.176	0.66	0.982	0.331	0.968	0.555
Compound_894	CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c1cn(c2c1cc(Br)cn2)C(=O)c1c(Cl)cccc1Cl)F	0.647	0.606	0.998	0.67	0.627	0.704	0.995	0.917	0.411	0.558	0.58
Compound_895	CC(=C)C(=O)NCCC[N+](C)(C)C	0.078	0.259	0.009	0.326	0.016	0.003	0.001	0.471	0.394	0.015	0.331
Compound_896	O=CCC1CC(C)C(=O)C=CC(=CC(C(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)O)O)C)O)CC)COC1OC(C)C(C(C1OC)O)O)C	0.093	0.86	0.017	0.159	0.862	0.886	0.006	0.158	0.317	0.476	0.837
Compound_897	COc1ccccc1NC(=O)CC(=O)C	0.414	0.309	0.943	0.555	0.066	0.082	0.146	0.186	0.402	0.027	0.052
Compound_898	Oc1ccc2c(c1)ccc(c2)C(=O)O	0.584	0.712	0.84	0.508	0.846	0.978	0.997	0.918	0.645	0.82	0.743
Compound_899	C=C[C@]1(C)C[C@@H](OC(=O)CSC(CNC(=O)[C@@H](C(C)C)N)(C)C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3	0.166	0.694	0.002	0.34	0.706	0.75	0.022	0.985	0.412	0.277	0.317
Compound_900	c1ccc2c(c1)cccc2	0.988	0.649	0.974	0.594	0.163	0.106	0.995	0.968	0.994	1.0	0.952
Compound_901	COCCO	0.601	0.148	0.127	0.474	0.068	0.111	0.718	0.721	0.21	0.168	0.647
Compound_902	N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl	0.534	0.212	0.931	0.816	0.704	0.898	0.481	0.775	0.36	0.988	0.918
Compound_903	Brc1cc(Br)cc(c1)Br	0.975	0.152	0.84	0.622	0.191	0.487	0.998	0.93	0.833	0.998	0.236
Compound_904	N#CC1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C	0.736	0.689	0.021	0.443	0.759	0.82	0.05	0.876	0.371	0.799	0.352
Compound_905	CC(COC(=O)CCCCC(=O)OCC(C)C)C	0.666	0.015	0.122	0.675	0.054	0.023	0.937	0.597	0.358	0.993	0.829
Compound_906	CCOC(=O)[C@@H](N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCc1ccccc1	0.185	0.47	0.248	0.258	0.019	0.015	0.038	0.016	0.264	0.509	0.046
Compound_907	O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O	0.309	0.468	0.087	0.254	0.295	0.521	0.221	0.055	0.427	0.009	0.381
Compound_908	Oc1ccc(cc1)C(C(N1CCC(CC1)Cc1ccccc1)C)O	0.015	0.404	0.117	0.244	0.386	0.471	0.0	0.029	0.159	0.07	0.087
Compound_909	OC(=O)c1cc(Br)cnc1	0.224	0.193	0.745	0.409	0.199	0.287	0.043	0.538	0.215	0.062	0.179
Compound_910	CC(=O)OC(C(=O)Cl)C	0.858	0.1	0.282	0.655	0.009	0.093	0.999	0.997	0.625	0.793	0.889
Compound_911	c1ccc(cc1)C1=NCCN1	0.154	0.358	0.036	0.279	0.001	0.125	0.001	0.002	0.428	0.005	0.056
Compound_912	N#Cc1c(F)cccc1F	0.988	0.143	0.768	0.673	0.455	0.059	0.997	0.835	0.684	0.992	0.814
Compound_913	O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C	0.838	0.98	0.02	0.675	0.96	0.869	0.805	0.753	0.206	0.691	0.23
Compound_914	c1ccc2c(c1)c1cc3cccc4c3c3c1c2ccc3cc4	0.988	0.725	0.982	0.798	0.958	0.948	0.993	0.985	0.969	0.999	0.935
Compound_915	CCCCCCCCCCCCCCCCCCOCC[O]	0.917	0.231	0.283	0.624	0.212	0.748	0.991	0.902	0.369	0.892	0.62
Compound_916	CCOC(=O)CC#N	0.845	0.128	0.373	0.668	0.149	0.031	0.986	0.97	0.421	0.317	0.95
Compound_917	OC1C(O)C(OC1n1cnc2c1nc(F)nc2N)COP(=O)(O)O	0.798	0.689	0.056	0.575	0.109	0.245	0.007	0.065	0.416	0.224	0.475
Compound_918	CCCCCCCCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_919	Cc1nc2ccccc2c(c1)C(=O)N	0.451	0.649	0.574	0.414	0.257	0.338	0.245	0.102	0.431	0.076	0.599
Compound_920	O=N(=O)c1cc(N)c(c(c1)N(=O)=O)C	0.813	0.226	0.948	0.517	0.062	0.065	0.952	0.96	0.742	0.987	0.705
Compound_921	OCCN(CC(O)C)CCO	0.025	0.059	0.118	0.116	0.023	0.015	0.006	0.418	0.569	0.049	0.094
Compound_922	OCC(c1ccccc1)C(=O)OC1C[C@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3	0.044	0.541	0.013	0.332	0.297	0.049	0.001	0.009	0.066	0.001	0.087
Compound_923	Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1	0.888	0.772	0.769	0.763	0.639	0.898	0.949	0.124	0.95	0.128	0.797
Compound_924	O=C=NS(=O)(=O)c1c(C)scc1C(=O)OC	0.469	0.388	0.956	0.521	0.071	0.556	0.905	0.565	0.688	0.135	0.249
Compound_925	COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C	0.201	0.337	0.245	0.348	0.049	0.077	0.249	0.057	0.35	0.009	0.255
Compound_926	CC([N+](C(C)C)(CCC(c1ccccc1)(c1ccccc1)C(=O)N)C)C	0.053	0.549	0.021	0.263	0.022	0.499	0.049	0.016	0.11	0.003	0.096
Compound_927	c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4	0.988	0.649	0.974	0.697	0.937	0.898	0.998	0.968	0.95	1.0	0.952
Compound_928	CN(CC(OC(c1ccc(cc1)Cl)(c1ccccc1)C)C)C	0.044	0.485	0.023	0.134	0.479	0.458	0.001	0.028	0.123	0.132	0.366
Compound_929	N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1	0.065	0.736	0.02	0.123	0.903	0.233	0.345	0.017	0.511	0.468	0.679
Compound_930	CCCCCCCCCc1ccc(cc1)OCCOCCO	0.523	0.263	0.237	0.576	0.563	0.898	0.82	0.98	0.417	0.748	0.328
Compound_931	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C	0.256	0.398	0.122	0.254	0.121	0.583	0.018	0.1	0.321	0.407	0.396
Compound_932	OC(=O)c1c2ccccc2nc2c1cccc2	0.649	0.477	0.859	0.504	0.912	0.8	0.988	0.676	0.511	0.223	0.808
Compound_933	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C)C	0.987	1.0	0.028	0.862	0.938	0.904	0.01	0.924	0.049	0.989	0.179
Compound_934	OCC1OC2OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(CO)OC(C(C3O)O)OC3C(OC(OC4C(OC(OC5C(OC(OC1C(C2O)O)C(O)C5O)CO)C(O)C4O)CO)C(O)C3O)CO	0.376	0.425	0.016	0.341	0.872	0.708	0.228	0.031	0.34	0.708	0.211
Compound_935	CC(=O)c1ccc(c2c1cccc2)C(=O)O	0.492	0.61	0.259	0.349	0.213	0.618	0.927	0.42	0.57	0.372	0.732
Compound_936	O=P(N1CC1)(N1CC1)N1CC1	0.534	0.308	0.257	0.478	0.805	0.686	0.012	0.811	0.744	0.937	0.779
Compound_937	ClCc1c(F)cccc1Cl	0.97	0.114	0.818	0.67	0.436	0.153	0.995	0.977	0.943	0.998	0.399
Compound_938	ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl	0.488	0.813	0.259	0.67	0.745	0.898	0.817	0.993	0.315	0.998	0.918
Compound_939	O=C(c1c(C)oc(c1C)C)Nc1ccccc1	0.609	0.583	0.982	0.817	0.078	0.445	0.949	0.923	0.766	0.719	0.67
Compound_940	CN(CC(CN1c2ccccc2Sc2c1cccc2)C)C	0.044	0.736	0.012	0.1	0.912	0.098	0.019	0.015	0.042	0.468	0.239
Compound_941	CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC	0.737	0.003	0.147	0.692	0.066	0.065	0.992	0.357	0.288	0.997	0.915
Compound_942	CC(C(=O)O)NC(=O)CCC	0.003	0.029	0.013	0.178	0.026	0.001	0.0	0.012	0.292	0.004	0.015
Compound_943	Oc1cccc(c1O)C(c1cc(cc(c1O)n1nc2c(n1)cccc2)C(c1ccccc1)(C)C)(C)C	0.622	0.687	0.84	0.717	0.58	0.793	0.732	0.925	0.824	0.701	0.804
Compound_944	BrCN(=O)=O	0.749	0.098	0.531	0.639	0.482	0.234	0.555	0.999	0.813	0.983	0.788
Compound_945	CCC1CCC(C1)CCC(=O)O	0.754	0.151	0.266	0.137	0.121	0.023	0.696	0.237	0.033	0.893	0.266
Compound_946	NCCCNCCCN(C)C	0.044	0.178	-0.0	0.181	0.014	0.007	0.001	0.722	0.187	0.042	0.187
Compound_947	COc1cc(ccc1OC)C(=O)c1ccc(cc1)Cl	0.561	0.564	0.795	0.711	0.787	0.888	0.835	0.047	0.407	0.794	0.921
Compound_948	CCCOc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1ccccc1C(=O)OC	0.336	0.448	0.044	0.276	0.101	0.57	0.009	0.016	0.338	0.054	0.249
Compound_949	CC1CC(=O)CC(C1)(C)C	0.943	0.191	0.154	0.373	0.068	0.029	0.724	0.525	0.502	0.995	0.423
Compound_950	O=C1CCC(CC1)C1CC2CC1C(C2(C)C)C	0.979	0.713	0.154	0.448	0.352	0.176	0.031	0.015	0.349	0.996	0.807
Compound_951	CCOP(=S)(OCC)SCCS(=O)CC	0.738	0.058	0.835	0.542	0.191	0.079	0.936	0.079	0.251	0.998	0.524
Compound_952	COc1ccc(cc1O)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C	0.077	0.466	0.034	0.087	0.377	0.527	0.012	0.377	0.345	0.01	0.554
Compound_953	CC1=CC[C@@H](CC1)C(=C)C	0.949	0.23	0.666	0.595	0.195	0.03	0.94	0.952	0.909	0.997	0.791
Compound_954	Nc1ncnc2c1ncn2C	0.337	0.704	0.33	0.383	0.208	0.315	0.012	0.708	0.932	0.488	0.151
Compound_955	OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO	0.485	0.618	0.816	0.446	0.666	0.351	0.039	0.296	0.106	0.486	0.918
Compound_956	CCCCCCC[C@H]1CCC(=O)O1	0.87	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.363	0.998	0.655
Compound_957	CCCCCCCCCCCC(=O)O	0.754	0.007	0.188	0.131	0.091	0.008	0.901	0.13	0.077	0.901	0.169
Compound_958	O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1	0.969	0.629	0.933	0.65	0.971	0.535	0.999	0.724	0.591	0.31	0.724
Compound_959	CCC(COc1ccc(cc1)N=Nc1ccc(c(c1)NC(=O)C)N=Nc1cccc(c1)S(=O)(=O)O)O	0.462	0.456	0.077	0.397	0.692	0.671	0.021	0.063	0.285	0.052	0.321
Compound_960	Brc1cc(Br)cc(c1Oc1nc(nc(n1)Oc1c(Br)cc(cc1Br)Br)Oc1c(Br)cc(cc1Br)Br)Br	0.941	0.448	0.898	0.713	0.682	0.664	0.868	0.729	0.422	0.56	0.852
Compound_961	OC(=O)CF	0.534	0.024	0.051	0.438	0.075	0.018	0.299	0.998	0.476	0.035	0.666
Compound_962	Oc1ccc(c(c1)C)C(C)C	0.876	0.067	0.727	0.663	0.561	0.21	0.87	0.866	0.533	0.978	0.339
Compound_963	Clc1nc2c(s1)cccc2	0.971	0.641	0.989	0.612	0.33	0.835	0.997	0.801	0.997	0.985	0.329
Compound_964	CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C	0.587	0.61	0.283	0.622	0.43	0.898	0.918	0.613	0.42	0.884	0.362
Compound_965	NC[C@@H](c1ccc(c(c1)O)O)O	0.104	0.101	0.009	0.163	0.093	0.017	0.004	0.05	0.177	0.002	0.065
Compound_966	CC(c1ccc(cc1)C(=O)C)C	0.816	0.094	0.658	0.498	0.028	0.172	0.308	0.371	0.52	0.986	0.459
Compound_967	CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C	0.288	0.13	0.51	0.533	0.303	0.15	0.052	0.916	0.486	0.962	0.918
Compound_968	Oc1ccc2c(c1O)sc(n2)SN(C(C)(C)C)Sc1nc2c(s1)cccc2	0.818	0.535	0.548	0.57	0.711	0.657	0.919	0.964	0.815	0.978	0.708
Compound_969	Nc1ncc(c(n1)N)C(=O)O	0.171	0.294	0.219	0.349	0.059	0.119	0.003	0.12	0.705	0.003	0.2
Compound_970	Oc1cc(Cl)c(c(c1)Cl)Cl	0.939	0.149	0.913	0.663	0.852	0.898	0.914	0.923	0.925	0.994	0.918
Compound_971	CCOC(=S)S	0.856	0.201	0.216	0.283	0.06	0.235	0.962	0.007	0.697	0.998	0.851
Compound_972	CN(CCn1c2ccccc2n(c2c(c1=O)cccc2)C)C	0.336	0.68	0.011	0.099	0.457	0.192	0.14	0.028	0.418	0.036	0.087
Compound_973	O=CNCC(C(C(C(CO)O)O)O)O	0.017	0.072	0.022	0.256	0.015	0.053	0.001	0.01	0.143	0.06	0.036
Compound_974	Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1	0.952	0.476	0.896	0.648	0.849	0.96	0.985	0.474	0.44	0.854	0.362
Compound_975	C1CCC(CC1)c1ccc(cc1)C1CCCCC1	0.816	0.293	0.318	0.521	0.58	0.754	0.99	0.863	0.903	0.996	0.464
Compound_976	O=CNc1c(N)n(C)c(=O)n(c1=O)C	0.128	0.246	0.088	0.477	0.075	0.076	0.0	0.053	0.592	0.001	0.258
Compound_977	OCC(OCC(O)C)C	0.613	0.172	0.035	0.444	0.074	0.087	0.877	0.308	0.163	0.664	0.321
Compound_978	CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)C(Cl)C)C	0.814	0.294	0.013	0.146	0.488	0.233	0.007	0.442	0.359	0.163	0.33
Compound_979	CC(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1	0.652	0.54	0.13	0.285	0.158	0.376	0.091	0.39	0.398	0.184	0.081
Compound_980	CCCCCCC=CCCCCCCCc1cccc(c1)O	0.971	0.208	0.665	0.644	0.599	0.311	0.985	0.979	0.633	0.966	0.696
Compound_981	CCCCOCOCCCC	0.747	0.06	0.221	0.574	0.063	0.057	0.997	0.411	0.725	0.999	0.78
Compound_982	CC1CNC(=S)N1	0.032	0.274	0.229	0.374	0.018	0.132	0.0	0.358	0.625	0.452	0.363
Compound_983	CC=C(C(=O)O[C@H]1CC[C@]2([C@H]3[C@]1(O)O[C@]12C[C@@]2([C@@]([C@@H]1CC3)(O)C[C@@H]([C@]1([C@H]2CN2C[C@@H](C)CC[C@H]2[C@@]1(C)O)O)O)O)C)C	0.796	0.85	0.008	0.277	0.922	0.686	0.611	0.843	0.567	0.43	0.441
Compound_984	OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.886	0.389	0.321	0.582	0.265	0.142	0.213	0.447	0.481	0.384	0.5
Compound_985	Clc1ccc(c(c1)c1ccccc1O)Cl	0.935	0.758	0.901	0.755	0.898	0.708	0.794	0.914	0.889	0.966	0.954
Compound_986	Nc1cc(Cl)c(c(c1)Cl)Cl	0.886	0.218	0.989	0.588	0.185	0.33	0.997	0.988	0.856	0.992	0.399
Compound_987	CCCC(=O)c1ccc(cc1)O	0.917	0.134	0.464	0.565	0.645	0.959	0.886	0.692	0.607	0.063	0.138
Compound_988	ClCCCNC(Cc1ccccc1)C	0.039	0.162	0.061	0.272	0.064	0.276	0.002	0.03	0.075	0.076	0.134
Compound_989	ClCCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccccc1	0.485	0.628	0.913	0.708	0.978	0.993	0.43	0.563	0.913	0.99	0.995
Compound_990	OC=C1CCCC(=C1Cl)C=O	0.928	0.426	0.454	0.647	0.265	0.875	0.996	0.949	0.579	0.916	0.653
Compound_991	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	0.967	1.0	0.013	0.955	0.478	0.909	0.026	0.007	0.077	0.212	0.076
Compound_992	CCCN[C@@H]1CCc2c(C1)sc(n2)N	0.377	0.395	0.064	0.175	0.093	0.6	0.001	0.088	0.419	0.739	0.104
Compound_993	O=C(C1=Cc2ccccc2C(=NNc2cccc(c2Cl)Cl)C1=O)Nc1cccc2c1cccc2NC(=O)C1=Cc2ccccc2C(=NNc2cccc(c2Cl)Cl)C1=O	0.685	0.629	1.0	0.73	0.86	0.76	0.984	0.986	0.44	0.984	0.887
Compound_994	CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(=O)C)C	0.052	0.722	0.014	0.021	0.852	0.258	0.013	0.054	0.493	0.003	0.087
Compound_995	O=C1CCCCCO1	0.795	0.165	0.256	0.706	0.15	0.062	0.986	0.81	0.209	0.978	0.662
Compound_996	C1CCc2c(C1)cccc2	0.767	0.268	0.751	0.532	0.145	0.083	0.991	0.748	0.877	1.0	0.834
Compound_997	OCCNC(=O)CC(CC(C)(C)C)C	0.017	0.052	0.011	0.237	0.016	0.05	0.0	0.061	0.26	0.011	0.071
Compound_998	CC(C(=O)OCC(C(C(C)C)O)(C)C)C	0.744	0.027	0.029	0.591	0.11	0.036	0.552	0.09	0.134	0.071	0.363
Compound_999	CCCCC(CCC)CCCCCOCCCN	0.356	0.127	0.031	0.405	0.032	0.137	0.38	0.026	0.462	0.924	0.164
Compound_1000	O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C	0.043	0.554	0.017	0.533	0.065	0.038	0.015	0.011	0.058	0.0	0.046