Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	N#CCc1c(C)cc(cc1C)C(C)(C)C	0.759	0.199	0.656	0.591	0.332	0.071	0.653	0.754	1.004	0.182	0.592
Compound_2	N#CCC(=O)OCC(COC(=O)CC#N)(COC(=O)CC#N)COC(=O)CC#N	0.861	0.15	0.172	0.648	0.5	0.252	0.317	0.992	0.567	0.284	0.968
Compound_3	Cc1cc(C)cc(c1)C	0.813	0.119	0.897	0.556	0.02	0.03	0.978	0.804	0.883	0.998	0.16
Compound_4	CCCC1COC(O1)(CBr)c1ccc(cc1Cl)Cl	0.593	0.445	0.593	0.781	0.743	0.783	0.934	0.972	0.416	0.992	0.84
Compound_5	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(nc(n2)N(CCO)CCO)Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)CCO	0.813	0.466	0.804	0.298	0.838	0.645	0.974	0.231	0.432	0.167	0.855
Compound_6	O(Cc1ccccc1)Cc1ccccc1	0.641	0.639	0.593	0.518	0.133	0.687	0.998	0.302	0.806	0.996	0.941
Compound_7	CC1CC(O)CC(C1)(C)C	0.834	0.225	0.044	0.531	0.123	0.069	0.474	0.277	0.348	0.619	0.182
Compound_8	O=C1CC[C@]2(C(=C1)CC[C@@H]1C2=CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C	0.897	1.0	0.027	0.746	0.826	0.87	0.023	0.82	0.062	0.418	0.065
Compound_9	CC(=O)c1ccccc1C(=O)C	0.914	0.113	0.82	0.509	0.042	0.125	0.505	0.186	0.861	0.751	0.776
Compound_10	O=C(Nc1ccc2c(c1)[nH]c(=O)[nH]2)CC(=O)C	0.561	0.391	0.923	0.498	0.084	0.499	0.014	0.054	0.516	0.012	0.516
Compound_11	CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)N	0.335	0.187	0.008	0.199	0.315	0.107	0.025	0.384	0.06	0.199	0.296
Compound_12	ClC(N(=O)=O)Br	0.738	0.1	0.418	0.605	0.589	0.251	0.822	0.998	0.881	0.999	0.868
Compound_13	CC1=C(CC2CC1C2(C)C)SP(=S)(C1=C(C)C2CC(C1)C2(C)C)SP(=S)(C1=C(C)C2CC(C1)C2(C)C)SC1=C(C)C2CC(C1O)C2(C)C	0.669	0.554	0.053	0.517	0.762	0.652	0.147	0.787	0.494	0.999	0.735
Compound_14	c1ncn[nH]1	0.536	0.309	0.877	0.377	0.252	0.262	0.002	0.355	0.972	0.338	0.572
Compound_15	O=C(c1ccccc1)OC1C(=O)OC(=O)C1OC(=O)c1ccccc1	0.478	0.571	0.832	0.608	0.118	0.249	0.995	0.116	0.519	0.06	0.665
Compound_16	ClC(C(=O)C(Cl)(Cl)Cl)Cl	0.964	0.089	0.174	0.58	0.58	0.951	0.987	0.974	0.143	0.999	0.989
Compound_17	CCCCOC(=O)c1ccc(cc1)N	0.243	0.37	0.934	0.651	0.066	0.898	0.988	0.013	0.778	0.012	0.419
Compound_18	OC(=O)c1n[nH]c2c1cccc2	0.454	0.494	0.926	0.441	0.668	0.657	0.723	0.618	0.65	0.031	0.771
Compound_19	Cn1nc(c(c1)C(=O)Cl)C(F)F	0.468	0.456	0.332	0.552	0.309	0.396	0.904	0.908	0.908	0.112	0.86
Compound_20	C=C1COC(O1)(C)C	0.844	0.197	0.556	0.603	0.297	0.156	0.992	0.971	0.444	0.938	0.892
Compound_21	CCCC(COC(=O)N)(COC(=O)N)C	0.231	0.129	0.036	0.401	0.064	0.064	0.036	0.014	0.058	0.017	0.126
Compound_22	Oc1ccc(cc1)C1COc2c(C1)ccc(c2)O	0.24	0.819	0.746	0.614	0.962	0.895	0.93	0.647	0.238	0.464	0.955
Compound_23	O=N(=O)c1cc(Br)c(c(c1)Br)N	0.973	0.181	0.962	0.697	0.588	0.652	0.988	0.973	0.791	0.995	0.633
Compound_24	COc1nsnc1NS(=O)(=O)c1ccc(cc1)N	0.089	0.211	0.115	0.092	0.157	0.411	0.007	0.017	0.058	0.003	0.102
Compound_25	OC(=O)c1c(O)c(Cl)cc(c1Cl)Cl	0.521	0.21	0.104	0.503	0.832	0.704	0.767	0.929	0.554	0.902	0.306
Compound_26	Brc1ccc(c(c1)F)C(=O)OC(C)(C)C	0.937	0.244	0.569	0.702	0.187	0.606	0.827	0.417	0.545	0.993	0.563
Compound_27	CC(=O)OC1CCCCC1C(C)(C)C	0.94	0.264	0.034	0.469	0.212	0.046	0.869	0.856	0.706	0.994	0.312
Compound_28	CCCC(C(C(=O)OCC)(C#N)CC)C	0.892	0.114	0.196	0.6	0.37	0.073	0.533	0.888	0.447	0.709	0.898
Compound_29	Brc1cc(Br)c2c(c1)C(=O)C(=C1Nc3c(C1=O)cc(cc3Br)Br)N2	0.419	0.624	0.915	0.602	0.622	0.652	0.991	0.818	0.487	0.738	0.959
Compound_30	CC(=O)OC(=O)C	0.748	0.047	0.313	0.521	0.031	0.005	0.937	0.95	0.957	0.228	0.786
Compound_31	Nc1nc(nc(n1)Cl)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1cc(ccc1O)N(=O)=O)S(=O)(=O)O	0.838	0.383	1.001	0.587	0.741	0.669	0.468	0.968	0.43	0.479	0.573
Compound_32	Oc1c(O)cccc1N(C(CC(C)(C)C)(C)C)c1cccc2c1cccc2	0.89	0.608	0.423	0.673	0.949	0.446	0.919	0.982	0.64	0.452	0.825
Compound_33	CCC(c1ccc(cc1)O)CC(c1ccc(cc1)O)CC	0.857	0.692	0.226	0.536	0.949	0.966	0.963	0.874	0.378	0.938	0.924
Compound_34	Clc1cccc(c1)c1cccc(c1)Cl	0.984	0.471	0.949	0.805	0.609	0.553	0.993	0.077	0.723	0.988	0.656
Compound_35	CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]oc(=O)n1)c(ccc2)C(=O)O	0.648	0.685	0.165	0.487	0.607	0.786	0.996	0.23	0.303	0.942	0.761
Compound_36	OS(=O)(=O)c1ccccc1N=C1C=CC(=C(c2ccc(cc2)Nc2ccccc2)c2ccc(cc2)Nc2ccccc2)C=C1	0.505	0.501	0.953	0.572	0.955	0.704	0.966	0.858	0.462	0.152	0.123
Compound_37	CCOC(=O)c1ccncc1	0.162	0.238	0.962	0.576	0.029	0.091	0.032	0.007	0.454	0.026	0.484
Compound_38	CCCCOCCOCCOCCCC	0.82	0.084	0.161	0.607	0.123	0.121	0.998	0.38	0.756	0.998	0.79
Compound_39	CCc1n[nH]c(=O)n1CCOc1ccccc1	0.19	0.506	0.74	0.547	0.08	0.197	0.001	0.397	0.439	0.124	0.242
Compound_40	C=CC(C#CC(C)(C)C)O	0.861	0.122	0.227	0.622	0.36	0.823	0.902	0.977	0.619	0.951	0.719
Compound_41	C1Cc2c(C1)c1cc3ccc4c(c3cc1cc2)cccc4	0.698	0.648	0.91	0.627	0.932	0.911	0.983	0.886	0.89	0.999	0.94
Compound_42	ClC(c1ccccc1)(Cl)Cl	0.942	0.166	0.81	0.702	0.093	0.466	0.995	0.963	0.166	0.998	0.446
Compound_43	O=c1[nH]c(=O)n(cc1C)C1OC2C(C1)OC2	0.281	0.274	0.063	0.288	0.056	0.212	0.093	0.069	0.357	0.097	0.581
Compound_44	ClC(=C(c1ccc(cc1)O)c1ccc(cc1)O)Cl	0.952	0.779	0.609	0.725	0.971	0.991	0.925	0.983	0.53	0.946	0.997
Compound_45	OC1C2=C(CCCC2(C)C)CC(C1(C)C)(C)C(=O)C	0.93	0.759	0.125	0.608	0.618	0.738	0.109	0.634	0.285	0.997	0.185
Compound_46	NC(=CC(=O)C(N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1	0.117	0.419	0.355	0.321	0.748	0.964	0.947	0.321	0.402	0.384	0.461
Compound_47	Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.888	0.799	0.92	0.66	0.265	0.898	0.768	0.869	0.96	0.867	0.99
Compound_48	CCOCCOCCOCC	0.774	0.088	0.659	0.526	0.105	0.086	0.973	0.051	0.421	0.997	0.818
Compound_49	COCCOC(=O)C=C	0.988	0.121	0.627	0.745	0.728	0.487	1.0	0.999	0.935	0.983	0.716
Compound_50	CSC(=O)OC(OC(=O)C(C)C)C	0.739	0.059	0.158	0.432	0.075	0.081	0.993	0.542	0.135	0.177	0.837
Compound_51	O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O	0.885	0.814	0.064	0.861	0.989	0.936	0.11	0.638	0.312	0.997	0.602
Compound_52	OCCNCCC(=O)N	0.008	0.096	0.003	0.143	0.012	0.004	0.0	0.007	0.1	0.001	0.083
Compound_53	CC1CC(C)(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C	0.94	0.296	0.069	0.492	0.256	0.135	0.956	0.128	0.606	0.84	0.318
Compound_54	CN(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C	0.288	0.282	0.037	0.265	0.045	0.905	0.026	0.945	0.8	0.025	0.053
Compound_55	OCP(=O)(CO)CO	0.705	0.166	0.133	0.452	0.693	0.122	0.074	0.259	0.59	0.172	0.489
Compound_56	COC(=O)C(=CN(C)C)n1nncc1	0.3	0.401	0.067	0.209	0.608	0.108	0.027	0.342	0.842	0.19	0.469
Compound_57	OC(=O)c1ccccc1NS(=O)(=O)c1ccc(c(c1)N)O	0.166	0.151	0.026	0.202	0.419	0.606	0.522	0.036	0.486	0.04	0.224
Compound_58	OC(=O)CCP(=O)(c1ccccc1)O	0.442	0.216	0.045	0.113	0.782	0.268	0.853	0.001	0.279	0.004	0.133
Compound_59	COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O	0.122	0.5	0.161	0.676	0.018	0.172	0.002	0.957	0.286	0.003	0.033
Compound_60	OC(=O)c1cc(N2CCCC2)c(c(c1)S(=O)(=O)N)Oc1ccccc1	0.053	0.425	0.006	0.214	0.478	0.621	0.024	0.028	0.272	0.003	0.223
Compound_61	CC(=O)OC(c1ccc(o1)N(=O)=O)OC(=O)C	0.195	0.398	0.66	0.455	0.352	0.566	0.959	0.995	0.95	0.97	0.189
Compound_62	O=CCCN1C(=O)c2c(C1=O)cccc2	0.4	0.517	0.446	0.444	0.032	0.486	0.107	0.18	0.529	0.014	0.339
Compound_63	Fc1ccc(cc1)S(=O)O	0.912	0.351	0.262	0.409	0.415	0.274	0.978	0.101	0.82	0.977	0.347
Compound_64	Cc1ccc(cc1)N1CCNCC1	0.071	0.333	0.054	0.319	0.057	0.267	0.0	0.159	0.511	0.002	0.048
Compound_65	NN(CC(=O)O)CC(=O)O	0.03	0.107	0.057	0.195	0.103	0.02	0.003	0.713	0.304	0.002	0.269
Compound_66	O=C(C(=O)c1ccccc1)c1ccccc1	0.706	0.613	0.747	0.539	0.188	0.833	0.95	0.364	0.245	0.731	0.981
Compound_67	CCOC(=O)C1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl	0.724	0.678	0.352	0.693	0.635	0.338	0.994	0.503	0.393	0.598	0.559
Compound_68	O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)OC(C)(C)C)C	0.62	0.655	0.261	0.643	0.896	0.83	0.966	0.805	0.372	0.4	0.439
Compound_69	Cc1cccc(c1)Nc1ccncc1S(=O)(=O)N	0.1	0.219	0.021	0.224	0.087	0.392	0.007	0.004	0.551	0.006	0.213
Compound_70	NC1CCc2c(C1)c1ccccc1n2CCC(=O)O	0.235	0.526	0.789	0.423	0.409	0.597	0.191	0.068	0.112	0.055	0.426
Compound_71	Nc1ccc(c2c1cccc2)S(=O)(=O)O	0.716	0.268	0.98	0.474	0.522	0.6	0.755	0.9	0.504	0.14	0.561
Compound_72	COc1cc2c(cc1OC)CC[N+](C2Cc1ccc(c(c1)OC)OC)(C)CCC(=O)OCCCCCOC(=O)CC[N+]1(C)CCc2c(C1Cc1ccc(c(c1)OC)OC)cc(c(c2)OC)OC	0.275	0.779	0.092	0.816	0.684	0.898	0.373	0.695	0.058	0.538	0.454
Compound_73	CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)O)F	0.402	0.464	0.795	0.398	0.183	0.33	0.191	0.327	0.383	0.059	0.539
Compound_74	OCC(=O)CO	0.668	0.1	0.094	0.439	0.028	0.116	0.346	0.101	0.314	0.103	0.399
Compound_75	CCC(C(c1ccccc1)(c1ccccc1)CCN(C)C)O	0.081	0.399	0.006	0.136	0.059	0.499	0.002	0.005	0.079	0.02	0.226
Compound_76	CCCCC([C@@H](C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCC=CC(=O)OC)O)(C)C	0.972	0.725	0.082	0.509	0.96	0.856	0.552	0.912	0.422	0.961	0.897
Compound_77	OCC(CNC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O)O	0.168	0.235	0.051	0.304	0.02	0.134	0.002	0.15	0.396	0.088	0.123
Compound_78	COc1cc(ccc1OC)C(=O)O	0.286	0.125	0.241	0.264	0.492	0.167	0.871	0.091	0.249	0.369	0.094
Compound_79	CCCCCCOC(=O)CCCCC(=O)OCCCCCC	0.666	0.003	0.251	0.736	0.079	0.111	0.985	0.649	0.424	0.998	0.912
Compound_80	CC1COC(=O)O1	0.667	0.136	0.392	0.575	0.06	0.04	0.997	0.457	0.523	0.622	0.333
Compound_81	Oc1ccc(cc1C)C1(CCCCC1)c1ccc(c(c1)C)O	0.959	0.618	0.823	0.626	0.966	1.0	0.54	0.968	0.448	0.985	0.954
Compound_82	CN(CC(Oc1ccccc1)Oc1ccccc1)C	0.246	0.468	0.009	0.223	0.297	0.664	0.111	0.076	0.367	0.049	0.01
Compound_83	ClP(c1ccccc1)c1ccccc1	0.535	0.433	0.763	0.636	0.802	0.199	0.999	0.964	0.984	1.0	0.708
Compound_84	O=C(NC(CS(=O)(=O)O)(C)C)CCSCCC(C(F)(F)F)(F)F	0.098	0.248	0.054	0.528	0.349	0.281	0.029	0.718	0.365	0.246	0.389
Compound_85	Cc1cccc(c1O)C	0.544	0.093	0.436	0.577	0.088	0.209	0.121	0.887	0.829	0.948	0.343
Compound_86	CC(c1cc(cc(c1)C(C)C)C(C)C)C	0.602	0.106	0.657	0.539	0.04	0.037	0.56	0.618	0.802	0.996	0.207
Compound_87	OCC(C(=O)O)(CO)C	0.534	0.059	0.015	0.163	0.078	0.022	0.216	0.316	0.134	0.36	0.124
Compound_88	CCCCCCCCCCCCCCCCOP(=O)(OCC[N+](C)(C)C)[O-]	0.725	0.4	0.057	0.655	0.108	0.114	0.956	0.409	0.255	0.027	0.486
Compound_89	COC=C	0.906	0.12	0.464	0.518	0.063	0.032	0.971	0.918	0.858	0.997	0.855
Compound_90	CCC(c1cccc(c1)OC)(C#N)CC	0.707	0.173	0.584	0.691	0.447	0.183	0.367	0.587	0.462	0.42	0.769
Compound_91	OC(=O)CCCCC(C)(C)C	0.594	0.048	0.188	0.128	0.103	0.01	0.795	0.176	0.137	0.113	0.148
Compound_92	FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F	0.053	0.325	0.008	0.073	0.44	0.599	0.005	0.039	0.253	0.001	0.272
Compound_93	OC(=N)CCCN=C(c1cc(F)ccc1O)c1ccc(cc1)Cl	0.547	0.513	0.188	0.462	0.88	0.854	0.011	0.022	0.565	0.078	0.293
Compound_94	OCc1cc(=O)n(c2c1cc1c(C)cc(=O)n3c1c2OC3)C	0.644	0.692	0.839	0.467	0.158	0.681	0.736	0.299	0.356	0.019	0.274
Compound_95	CC(CC1(CCCCC1)OC(=O)C(O)O)C	0.886	0.331	0.386	0.531	0.086	0.298	0.729	0.846	0.342	0.403	0.176
Compound_96	CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C(=O)O)C	0.539	0.28	0.036	0.373	0.349	0.677	0.171	0.292	0.597	0.399	0.611
Compound_97	CCOc1ccc(cc1OCC)Cc1nccc2c1cc(OCC)c(c2)OCC	0.053	0.601	0.891	0.519	0.34	0.898	0.005	0.961	0.058	0.139	0.984
Compound_98	OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO	0.927	0.446	0.236	0.3	0.803	0.687	0.974	0.186	0.43	0.203	0.868
Compound_99	OC(=O)C(CC(C)(C)C)CC(C)(C)C	0.658	0.028	0.065	0.173	0.156	0.014	0.868	0.165	0.102	0.078	0.283
Compound_100	Clc1cc(Cl)cc(c1)C(=C)C(C(Cl)(Cl)Cl)O	0.645	0.47	0.171	0.742	0.434	0.594	0.981	0.777	0.364	0.929	0.904
Compound_101	CCCCCCC(O)C	0.92	0.036	0.059	0.562	0.067	0.044	0.92	0.525	0.259	0.972	0.523
Compound_102	CN1CCN(CC1)C	0.169	0.267	0.036	0.105	0.005	0.006	0.003	0.727	0.727	0.008	0.019
Compound_103	CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N	0.053	0.406	0.021	0.063	0.554	0.601	0.033	0.061	0.273	0.015	0.167
Compound_104	O=N(=O)c1[nH][nH]c(=O)n1	0.494	0.314	0.924	0.507	0.314	0.123	0.001	0.867	0.628	0.49	0.802
Compound_105	O=C1CCC2=C3C(CC4(C(C3CCC2=C1)CCC4(O)C(=O)C)C)c1ccc(cc1)N(C)C	0.929	0.97	0.65	0.641	0.856	0.981	0.94	0.86	0.163	0.031	0.547
Compound_106	NCCCC(P(=O)(O)O)(P(=O)(O)O)O	0.022	0.033	0.001	0.19	0.098	0.153	0.001	0.001	0.174	0.0	0.057
Compound_107	OC(=O)c1cccc2c1cccc2	0.676	0.482	0.708	0.416	0.246	0.487	0.995	0.867	0.719	0.701	0.798
Compound_108	CCn1nccc1NC(=O)Nc1ccccc1	0.56	0.539	0.963	0.695	0.178	0.538	0.011	0.658	0.601	0.01	0.307
Compound_109	CC(=O)Nc1ccc(c(c1)C(=O)O)O	0.08	0.437	0.056	0.319	0.286	0.21	0.028	0.086	0.619	0.163	0.025
Compound_110	N#CCCN(CCC#N)CCCCN(CCC#N)CCC#N	0.293	0.197	0.044	0.109	0.229	0.198	0.731	0.499	0.643	0.964	0.901
Compound_111	CC1=NN(C(=O)C1N=Nc1ccccc1)c1ccccc1	0.515	0.629	0.987	0.712	0.205	0.537	0.181	0.639	0.4	0.469	0.462
Compound_112	CCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_113	Nc1ccccc1C(F)(F)F	0.82	0.383	0.912	0.636	0.181	0.085	0.988	0.929	0.788	0.927	0.662
Compound_114	CC	0.869	0.124	0.428	0.508	0.032	0.01	0.917	0.783	0.91	0.998	0.785
Compound_115	CCC1(N2CCCCC2)C(=O)NC(=O)NC1=O	0.08	0.399	0.017	0.212	0.024	0.072	0.0	0.036	0.214	0.021	0.238
Compound_116	BrC(=C)C(F)(F)F	0.962	0.25	0.433	0.632	0.443	0.04	0.995	0.955	0.837	1.0	0.943
Compound_117	Clc1cccc(c1)NC(=O)N(C)C	0.942	0.263	0.955	0.799	0.622	0.351	0.904	0.525	0.565	0.557	0.1
Compound_118	CCOP(=S)(Oc1ccc(=O)n(n1)c1ccccc1)OCC	0.441	0.501	0.952	0.484	0.786	0.51	0.864	0.207	0.781	0.084	0.372
Compound_119	CCC(C(=O)C)C	0.884	0.052	0.224	0.497	0.016	0.003	0.895	0.106	0.567	0.997	0.848
Compound_120	Clc1cc(Cl)c2c(c1O)nccc2	0.853	0.666	0.818	0.274	0.584	0.616	0.133	0.561	0.95	0.998	0.998
Compound_121	NCCCOC(C)C	0.074	0.09	0.04	0.362	0.01	0.011	0.004	0.004	0.456	0.012	0.062
Compound_122	CCCCCCCCCCCCCNCCCCCCCCCCCCC	0.321	0.065	0.037	0.451	0.036	0.343	0.412	0.146	0.902	0.937	0.214
Compound_123	C1CN=C(N1)Nc1cccc2c1CCCC2	0.053	0.359	0.215	0.191	0.145	0.353	0.02	0.011	0.238	0.016	0.156
Compound_124	Cn1nc(c(c1)C(=O)O)C(F)F	0.307	0.472	0.054	0.37	0.354	0.115	0.671	0.879	0.79	0.049	0.645
Compound_125	Cc1ccc(cc1Nc1scc(n1)c1cccnc1)N(=O)=O	0.739	0.618	0.996	0.76	0.297	0.731	0.085	0.874	0.546	0.386	0.555
Compound_126	OC(=O)C=Cc1ccc(cc1)O	0.857	0.253	0.225	0.411	0.748	0.831	0.674	0.803	0.811	0.213	0.184
Compound_127	Clc1ccc(c(c1)Cl)n1nc(nc1C(Cl)(Cl)Cl)C(=O)O	0.412	0.435	0.076	0.543	0.529	0.68	0.801	0.917	0.164	0.04	0.687
Compound_128	CCOC(=O)C1(CCCC1)OC(=O)Cc1c(C)cc(cc1C)C	0.399	0.348	0.104	0.696	0.023	0.068	0.907	0.777	0.319	0.883	0.936
Compound_129	CN1CCN(CC1)C1=Nc2ccccc2Sc2c1cc(Cl)cc2	0.187	0.715	0.577	0.108	0.724	0.426	0.163	0.009	0.708	0.05	0.087
Compound_130	CCCCCCCCOc1ccc(c(c1)O)n1nc2c(n1)cccc2	0.677	0.676	0.379	0.536	0.617	0.792	0.893	0.812	0.827	0.749	0.863
Compound_131	CCCC(C(c1ccc(cc1)O)c1ccc(cc1)O)CCC	0.961	0.655	0.337	0.588	0.949	0.966	0.963	0.849	0.575	0.986	0.918
Compound_132	C[n+]1ccccc1	0.458	0.184	0.684	0.567	0.018	0.232	0.055	0.989	0.932	0.505	0.114
Compound_133	CCSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1	0.212	0.346	0.573	0.529	0.164	0.155	0.018	0.219	0.345	0.6	0.506
Compound_134	CCN(CCCNC(=O)c1ccc(cc1)N=NC(C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)C(=O)C)CC	0.585	0.666	0.733	0.377	0.25	0.835	0.026	0.298	0.437	0.756	0.298
Compound_135	CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)N1C(=O)CN(C1=O)Cc1ccccc1)OC	0.354	0.691	0.77	0.546	0.621	0.597	0.057	0.688	0.398	0.658	0.483
Compound_136	CCC(Cc1ccc2c(c1)OCO2)NC	0.115	0.39	0.962	0.298	0.011	0.333	0.004	0.15	0.143	0.898	0.524
Compound_137	CC(C=O)CCC	0.826	0.06	0.252	0.528	0.02	0.097	0.991	0.352	0.69	0.989	0.876
Compound_138	OP(=O)(CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O)O	0.176	0.122	0.003	0.073	0.224	0.175	0.004	0.046	0.452	0.061	0.314
Compound_139	NC(CC(=O)N)CCc1cnc[nH]1	0.084	0.267	0.011	0.237	0.142	0.783	0.001	0.012	0.347	0.046	0.216
Compound_140	CON=C(c1ccccc1COc1cc(ccc1C)C(=O)O)C(=O)NC	0.152	0.8	0.135	0.401	0.187	0.687	0.778	0.58	0.388	0.861	0.583
Compound_141	Clc1sc2c(c1)S(=O)(=O)N(C(=C(Nc1ccccn1)O)C2=O)C	0.57	0.526	0.169	0.504	0.243	0.671	0.032	0.53	0.402	0.576	0.207
Compound_142	OC(=O)CN1C(=O)[C@H](CCc2c1cccc2)N[C@H](C(=O)O)CCc1ccccc1	0.81	0.667	0.052	0.145	0.547	0.222	0.422	0.034	0.068	0.879	0.405
Compound_143	Fc1cccc(n1)C(F)(F)F	0.622	0.257	0.475	0.597	0.724	0.354	0.931	0.982	0.808	0.801	0.174
Compound_144	COc1cc(OC)nc(n1)NC(=O)N=S(=O)(c1ncccc1OCC(F)(F)F)O	0.47	0.409	0.307	0.486	0.507	0.635	0.794	0.786	0.34	0.093	0.549
Compound_145	CCCCCCCCCCCCc1ccc(cc1)Oc1ccccc1	0.906	0.579	0.509	0.575	0.745	0.986	0.832	0.962	0.914	0.999	0.944
Compound_146	CC(=C)C(=O)OCC1CCC2C(C1)O2	0.988	0.41	0.019	0.643	0.884	0.093	0.945	0.815	0.886	0.999	0.778
Compound_147	COC(=Nc1ccc(c(c1)Cl)Cl)O	0.587	0.488	0.619	0.289	0.414	0.474	0.999	0.416	0.611	0.712	0.425
Compound_148	Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F	0.46	0.475	0.587	0.518	0.381	0.677	0.042	0.96	0.614	0.115	0.69
Compound_149	OCCNC(=O)NC(c1cccc(c1)C(=C)C)(C)C	0.283	0.359	0.283	0.288	0.006	0.262	0.004	0.2	0.201	0.033	0.174
Compound_150	NCCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2	0.609	0.578	0.271	0.388	0.5	0.652	0.089	0.112	0.466	0.006	0.5
Compound_151	CCCCC(COC(=O)CS)CC	0.803	0.048	0.039	0.641	0.175	0.242	0.994	0.103	0.824	0.979	0.86
Compound_152	CCC(c1ccc(cc1)O)c1ccc(cc1)O	0.92	0.784	0.453	0.597	0.92	0.947	0.963	0.884	0.416	0.862	0.807
Compound_153	CC(CCCCCCCOC(=O)c1cc(ccc1C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C)C	0.939	0.085	0.982	0.611	0.17	0.276	0.95	0.036	0.531	0.979	0.645
Compound_154	CC(=CCC(C(=O)C(C)C)(C)C)C	0.945	0.06	0.482	0.658	0.146	0.01	0.465	0.859	0.179	0.998	0.95
Compound_155	OCC(c1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1N(=O)=O)O)CO	0.615	0.72	0.902	0.653	0.981	0.884	0.968	0.932	0.455	0.694	0.909
Compound_156	OC(=O)Cc1ccccc1Oc1c(ccc(c1C)C)C(=O)O	0.061	0.709	0.237	0.337	0.64	0.587	0.744	0.046	0.519	0.109	0.305
Compound_157	O=C=Nc1ccc(cc1)Cc1ccccc1N=C=O	0.59	0.685	0.926	0.604	0.765	0.93	1.0	0.761	0.892	0.969	0.908
Compound_158	CCCCCCCCCCCCCCCCOC(=O)Cl	0.943	0.032	0.26	0.723	0.24	0.215	0.999	0.998	0.91	1.0	0.964
Compound_159	OCCN(CCO)C	0.053	0.055	0.064	0.108	0.014	0.012	0.008	0.485	0.215	0.007	0.177
Compound_160	Brc1cc(Br)c(c(c1)Br)O	0.948	0.134	0.452	0.507	0.668	0.72	0.994	0.969	0.389	0.996	0.929
Compound_161	CCOc1ccccc1O	0.738	0.118	0.674	0.648	0.575	0.039	0.864	0.304	0.316	0.905	0.537
Compound_162	OC(=O)[C@H](OP(=O)(O)O)COP(=O)(O)O	0.396	0.15	0.005	0.211	0.153	0.294	0.079	0.033	0.081	0.009	0.179
Compound_163	CCCCCCCCOCCCCCCCC	0.944	0.079	0.176	0.615	0.094	0.338	1.0	0.913	0.879	1.0	0.849
Compound_164	O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(O)C)C)C	0.987	1.0	0.031	0.772	0.873	0.948	0.021	0.797	0.068	0.995	0.214
Compound_165	Clc1c(Cl)cccc1Cl	0.977	0.088	0.967	0.576	0.131	0.233	0.998	0.959	0.739	0.999	0.279
Compound_166	COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.905	0.172	0.744	0.647	0.626	0.739	0.996	0.091	0.64	0.99	0.752
Compound_167	Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br	0.934	0.722	0.984	0.824	0.675	0.655	0.863	0.986	0.058	0.987	0.918
Compound_168	OCC1OC(C(C1O)O)n1cnc2c1ncnc2SC	0.448	0.82	0.56	0.534	0.21	0.451	0.027	0.904	0.418	0.239	0.863
Compound_169	COc1c(OC)cc(cc1OC)C	0.631	0.121	0.858	0.617	0.252	0.068	0.857	0.027	0.967	0.821	0.484
Compound_170	COC(=O)c1ccc(c2c1cccc2)C(=O)C	0.759	0.703	0.875	0.549	0.097	0.572	0.936	0.117	0.632	0.314	0.908
Compound_171	OC1(c2ccc(cc2)c2ccc(cc2)C2(O)c3ccccc3c3c2cccc3)c2ccccc2c2c1cccc2	0.703	0.797	0.31	0.718	0.991	0.887	0.812	0.881	0.562	0.827	0.986
Compound_172	c1ccc2c(n1)N1CCNCC1c1c(C2)cccc1	0.293	0.492	0.002	0.236	0.156	0.456	0.014	0.015	0.309	0.053	0.083
Compound_173	Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O	0.464	0.525	0.979	0.661	0.785	0.777	0.977	0.958	0.95	0.913	0.671
Compound_174	O=C(C(C)(C)C)O[C@H]1CC[C@]2([C@](C1)(O)C=C[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1C2=O)C)C	0.856	0.955	0.045	0.701	0.986	0.878	0.053	0.902	0.327	0.883	0.626
Compound_175	CCCCN(CCCC)CCC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.333	0.235	0.165	0.299	0.456	0.164	0.929	0.773	0.204	0.68	0.724
Compound_176	CC(OC(=O)C(Br)(C)C)C	0.74	0.05	0.3	0.633	0.612	0.112	0.976	0.973	0.801	0.986	0.924
Compound_177	ClCCOP(=O)(OCC(CBr)(C)C)O	0.824	0.189	0.076	0.442	0.241	0.134	0.997	0.62	0.622	0.417	0.666
Compound_178	CCCCOCCOC(=O)COc1ccc(cc1C)Cl	0.194	0.229	0.84	0.735	0.086	0.103	0.309	0.96	0.579	0.999	0.64
Compound_179	NC(=O)c1c(F)cccc1F	0.857	0.297	0.162	0.38	0.008	0.094	0.963	0.011	0.573	0.494	0.188
Compound_180	O=C1Cc2c(N1)c(F)ccc2	0.334	0.431	0.76	0.558	0.051	0.061	0.981	0.53	0.664	0.372	0.226
Compound_181	CN(c1ccc(cc1)CC1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C)C	0.705	0.711	0.53	0.306	0.249	0.84	0.786	0.665	0.402	0.628	0.18
Compound_182	CC(=O)Cc1c(Cl)cc(cc1Cl)Cl	0.69	0.079	0.698	0.664	0.459	0.146	0.992	0.755	0.569	0.993	0.587
Compound_183	O=C(Nn1cccc1)OC(C)(C)C	0.387	0.372	0.107	0.377	0.117	0.239	0.021	0.155	0.438	0.036	0.523
Compound_184	Oc1ccc(cc1)O	0.926	0.165	0.846	0.588	0.393	0.113	0.958	0.283	0.91	0.142	0.466
Compound_185	OC(=O)C(O)(C)C	0.352	0.119	0.026	0.167	0.041	0.011	0.709	0.172	0.177	0.039	0.355
Compound_186	OCCCOCC(OP(OCCOC(C(O)(C)C)(C)C)OCCOCCO)C	0.82	0.215	0.025	0.56	0.235	0.212	0.852	0.873	0.278	0.571	0.299
Compound_187	NC1CC1	0.13	0.258	0.093	0.365	0.046	0.04	0.003	0.007	0.749	0.81	0.296
Compound_188	CCCCC(C(=O)Cl)CC	0.973	0.08	0.272	0.694	0.069	0.072	0.999	0.997	0.545	1.0	0.967
Compound_189	CCC(N(C(CC)C)CC(c1cccn1Cc1ccccc1Cl)O)C	0.267	0.61	0.224	0.202	0.224	0.434	0.024	0.038	0.284	0.947	0.462
Compound_190	O=CCC(c1ccccc1)NC(=O)C1CCC(CC1)(F)F	0.247	0.323	0.382	0.397	0.101	0.918	0.624	0.74	0.519	0.398	0.1
Compound_191	Clc1cc(Cl)c(cc1OCC#CI)Cl	0.903	0.234	0.695	0.744	0.576	0.898	0.981	0.978	0.496	0.996	0.918
Compound_192	OCC#CC1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.982	0.99	0.023	0.809	0.92	0.984	0.048	0.076	0.511	0.768	0.033
Compound_193	CC1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C	0.758	0.339	0.447	0.538	0.1	0.57	0.06	0.061	0.899	0.992	0.856
Compound_194	O=C1ON=C(C1=NNc1ccccc1Cl)C	0.618	0.462	0.756	0.612	0.392	0.461	0.985	0.87	0.475	0.876	0.684
Compound_195	CCCSc1nc(Cl)c(c(n1)Cl)N(=O)=O	0.512	0.354	0.647	0.595	0.331	0.357	0.549	0.87	0.802	0.753	0.796
Compound_196	O=C1CCc2c(N1)ccc(c2)O	0.41	0.558	0.758	0.484	0.379	0.309	0.409	0.594	0.593	0.198	0.066
Compound_197	COc1ccccc1OCCNCc1ccccc1	0.039	0.399	0.085	0.397	0.072	0.314	0.094	0.006	0.353	0.007	0.037
Compound_198	NCCc1c(C)n(c2c1cc(O)cc2)Cc1ccc(cc1)OC	0.379	0.61	0.797	0.481	0.843	0.968	0.131	0.016	0.31	0.01	0.851
Compound_199	O=Cc1ccc(cc1)C(C)C	0.805	0.129	0.294	0.496	0.039	0.352	0.966	0.052	0.874	0.951	0.406
Compound_200	Clc1ccc(cc1)Sc1cc(Cl)c(cc1Cl)Cl	0.645	0.399	0.902	0.75	0.706	0.869	0.995	0.985	0.803	1.0	0.865
Compound_201	COc1c(N(=O)=O)c(C)c(cc1C(C)(C)C)N(=O)=O	0.666	0.21	0.821	0.706	0.796	0.874	0.669	0.898	0.784	0.714	0.92
Compound_202	O=C1CCCc2c1ccc1c2cccc1	0.898	0.808	0.884	0.578	0.198	0.856	0.973	0.905	0.784	0.981	0.975
Compound_203	CC(OC(=O)Nc1ccccc1)C	0.843	0.45	0.947	0.738	0.185	0.329	0.862	0.857	0.511	0.094	0.199
Compound_204	O=Cc1cc2ccccc2cc1C=O	0.973	0.476	0.834	0.611	0.119	0.778	0.993	0.966	0.869	0.873	1.0
Compound_205	CCCCCCCCCCCC1CC(=C(C(=O)O1)CCCCCC)O	0.968	0.382	0.141	0.595	0.318	0.408	0.991	0.318	0.715	0.944	0.115
Compound_206	CC1CC(NC(=O)N)NC(=O)N1	0.061	0.252	0.055	0.277	0.015	0.075	0.0	0.003	0.427	0.021	0.057
Compound_207	Oc1ccc(cc1)c1[o+]c2cc(O)cc(c2cc1O)O	0.489	0.786	0.961	0.808	0.637	0.533	0.956	0.995	0.989	0.298	0.863
Compound_208	COc1ccc(cc1OC)CCNCCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N	0.029	0.485	0.05	0.443	0.14	0.635	0.029	0.282	0.338	0.002	0.391
Compound_209	CCOCCOC(=O)Nc1ccc(c(c1)NC(=O)OCCOCC)C	0.67	0.428	0.957	0.615	0.399	0.633	0.244	0.191	0.465	0.045	0.476
Compound_210	CCOP(=O)(Oc1ccc(c(c1)C)S(=O)C)NC(C)C	0.499	0.521	0.948	0.541	0.228	0.455	0.001	0.044	0.134	0.583	0.295
Compound_211	Clc1ccc(cc1)CC(=CCN1CCCC1)c1ccccc1	0.225	0.54	0.062	0.128	0.428	0.865	0.562	0.067	0.376	0.861	0.13
Compound_212	Cc1c(nccc1OCC(F)(F)F)CSc1nc2c([nH]1)cccc2	0.237	0.589	0.943	0.497	0.435	0.714	0.82	0.568	0.281	0.161	0.93
Compound_213	OCC(C(C(CO)O)O)O	0.493	0.089	0.051	0.377	0.052	0.069	0.035	0.041	0.09	0.373	0.091
Compound_214	Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N	0.405	0.375	0.038	0.137	0.63	0.614	0.402	0.858	0.331	0.2	0.242
Compound_215	OCNCC(O)C	0.012	0.114	0.005	0.253	0.022	0.005	0.001	0.002	0.025	0.012	0.064
Compound_216	N1CCN(CC1)c1ccccc1	0.101	0.328	0.029	0.255	0.051	0.062	0.002	0.283	0.315	0.004	0.075
Compound_217	COc1ccc2c3c1O[C@@H]1[C@@]43CCN[C@H](C2)[C@]4(O)CCC1=O	0.666	0.505	0.099	0.329	0.094	0.27	0.112	0.082	0.078	0.018	0.5
Compound_218	O=c1[nH]c2c(n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1)cccc2	0.952	0.71	0.024	0.211	0.27	0.755	0.037	0.265	0.472	0.052	0.039
Compound_219	CC(C1CCCCC1)CC(C1CCCCC1)(C)C	0.993	0.346	0.285	0.441	0.444	0.405	0.944	0.548	0.894	0.993	0.366
Compound_220	CCOc1ccc2c(c1)C(C)C(=O)N2C	0.189	0.565	0.849	0.669	0.256	0.49	0.293	0.677	0.286	0.603	0.54
Compound_221	CC(=O)C1=C(C)C2CC3(C1)C(C)CCC3C2(C)C	0.998	0.48	0.24	0.461	0.359	0.314	0.034	0.794	0.462	1.0	0.749
Compound_222	Nc1ncccn1	0.357	0.207	0.656	0.484	0.096	0.101	0.009	0.03	0.668	0.705	0.09
Compound_223	CCC(CC1(CCCCC1)C(=O)O)CC	0.812	0.098	0.107	0.207	0.188	0.022	0.842	0.306	0.074	0.618	0.201
Compound_224	O=C(c1ccc(cc1)F)c1ccc(cc1)C(=O)c1ccc(cc1)F	0.975	0.56	0.604	0.649	0.818	0.962	0.998	0.609	0.757	0.882	0.928
Compound_225	NC(=NC(=S)N)N	0.406	0.148	0.726	0.566	0.24	0.045	0.004	0.858	0.905	0.779	0.5
Compound_226	COc1ccc(c(c1)C(=O)c1ccccc1)O	0.816	0.738	0.94	0.857	0.677	0.634	0.84	0.069	0.701	0.141	0.808
Compound_227	Clc1ccc2c(c1)nn(n2)c1cc(C)cc(c1O)C(C)(C)C	0.196	0.788	0.843	0.644	0.093	0.842	0.584	0.64	0.879	0.985	0.859
Compound_228	OCCNCC	0.01	0.098	0.007	0.246	0.007	0.001	0.0	0.056	0.041	0.299	0.131
Compound_229	O=C([C@@H](c1ccc(cc1)O)N)NC[C@@H]1N[C@H](C(S1)(C)C)C(=O)O	0.059	0.391	0.004	0.165	0.218	0.094	0.005	0.035	0.098	0.001	0.13
Compound_230	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)O2)C)C	0.946	0.929	0.476	0.923	0.908	0.713	0.166	0.979	0.293	0.963	0.253
Compound_231	ClS(=O)(=O)c1ccccc1	0.935	0.404	0.749	0.694	0.055	0.158	0.981	0.85	0.771	0.993	0.488
Compound_232	Clc1cc(N)c(c(c1OC(C(C(F)(F)F)F)(F)F)Cl)F	0.746	0.464	0.974	0.566	0.795	0.676	0.973	0.636	0.497	0.983	0.962
Compound_233	CS(=O)(=O)O	0.624	0.073	0.052	0.235	0.426	0.249	0.886	0.648	0.408	0.881	0.154
Compound_234	CC1(OC1)Cn1c(=O)n(CC2(C)OC2)c(=O)n(c1=O)CC1(C)OC1	0.497	0.519	0.013	0.472	0.895	0.26	0.038	0.397	0.526	0.986	0.802
Compound_235	CCCC(C(=O)OCC)C	0.714	0.016	0.832	0.664	0.061	0.01	0.983	0.372	0.359	0.99	0.866
Compound_236	CCOC(=O)C1CCCCC1=O	0.738	0.251	0.34	0.576	0.087	0.076	0.975	0.218	0.257	0.825	0.532
Compound_237	Cc1ccc(c(c1)N)C	0.713	0.21	0.974	0.531	0.069	0.078	0.993	0.768	0.835	0.929	0.365
Compound_238	OCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.475	0.237	0.367	0.61	0.717	0.862	0.972	0.953	0.058	0.107	0.063
Compound_239	OCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2	0.136	0.477	0.208	0.152	0.767	0.31	0.011	0.011	0.126	0.222	0.055
Compound_240	CC1=CC[C@@H]2C[C@H]1C2(C)C	0.985	0.348	0.432	0.436	0.648	0.579	0.438	0.929	0.692	0.998	0.849
Compound_241	CNCC(C(C(C(CO)O)O)O)O	0.011	0.064	0.008	0.21	0.01	0.005	0.001	0.009	0.045	0.018	0.012
Compound_242	CC(C#CC(O)(C)C)(O)C	0.744	0.24	0.149	0.503	0.097	0.818	0.946	0.193	0.548	0.68	0.765
Compound_243	OCCOCCO	0.665	0.097	0.086	0.458	0.076	0.188	0.631	0.178	0.187	0.475	0.672
Compound_244	CCOC(=O)C(c1ccccc1)(Cl)Cl	0.514	0.235	0.85	0.724	0.286	0.456	0.998	0.973	0.481	0.907	0.778
Compound_245	CCCCOC(=O)C(C(=C(Cl)Cl)Cl)(Cl)Cl	0.754	0.113	0.456	0.787	0.624	0.645	1.0	0.975	0.579	0.988	0.933
Compound_246	C=Cc1ccccc1Br	0.984	0.247	0.625	0.62	0.093	0.665	0.999	0.982	0.739	0.999	0.481
Compound_247	ClC1=C(Cl)C2(C(C1(Cl)C1C2CCC2C(CC1)C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl	0.988	0.691	0.657	0.646	0.864	0.647	0.983	0.597	0.226	1.0	0.752
Compound_248	CCN(CCNC(c1ccccc1)C(=O)OCCC(C)C)CC	0.05	0.339	0.075	0.284	0.016	0.026	0.022	0.015	0.221	0.003	0.043
Compound_249	OC1CC2C(C1O)(C)CCC1C2CCc2c1ccc(c2)OS(=O)(=O)O	0.266	0.826	0.011	0.263	0.945	0.798	0.144	0.527	0.042	0.924	0.387
Compound_250	CC(=O)Nc1cc(N)cc(c1)C(=O)O	0.101	0.324	0.08	0.393	0.053	0.111	0.052	0.012	0.552	0.003	0.088
Compound_251	COc1ccc(cc1C(C(NC(C)(C)C)C)O)OC	0.036	0.185	0.045	0.292	0.011	0.019	0.001	0.084	0.089	0.024	0.408
Compound_252	N#Cc1c(Cl)c(C(=O)N)c(c(c1Cl)Cl)S(=O)(=O)O	0.525	0.408	0.302	0.351	0.723	0.654	0.564	0.18	0.412	0.114	0.2
Compound_253	O=C(ON1C(=O)CCC1=O)OCC1c2ccccc2c2c1cccc2	0.196	0.485	0.758	0.661	0.483	0.871	0.915	0.802	0.362	0.579	0.591
Compound_254	NC(=O)C(I)Cl	0.4	0.139	0.034	0.307	0.256	0.255	0.848	0.708	0.511	0.896	0.744
Compound_255	COC(=O)CCc1c2[nH]c(c1C)C=C1NC(=Cc3[nH]c(C=c4[nH]c(=C2)c(CCC(=O)O)c4C)c(C=C)c3C)C2=CC=C([C@H]([C@@]12C)C(=O)OC)C(=O)OC	0.689	0.754	0.502	0.44	0.797	0.654	0.469	0.739	0.494	0.013	0.655
Compound_256	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.889	0.484	0.507	0.573	0.736	0.992	0.342	0.973	0.897	0.995	0.904
Compound_257	O=C(CC(C)(C)C)OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CCC1=CC(=O)C=C[C@]21C)F)(C)C	0.937	1.0	0.062	1.0	0.907	0.919	0.763	0.051	0.386	0.409	0.097
Compound_258	C=CC(CCC=C(CCC=C(C)C)C)(O)C	0.699	0.118	0.183	0.497	0.298	0.032	0.068	0.895	0.472	0.966	0.939
Compound_259	O=C1OC(=O)c2c1cccc2	0.888	0.109	0.888	0.548	0.062	0.043	0.998	0.026	0.615	0.068	0.546
Compound_260	CC[N+](CCC(c1ccccc1)(C1CCCCC1)O)(CC)CC	0.089	0.419	0.232	0.627	0.058	0.54	0.003	0.109	0.216	0.124	0.166
Compound_261	O=C(c1cccc(c1C(=NC(CS(=O)(=O)C)(C)C)O)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F	0.609	0.622	0.136	0.564	0.731	0.675	0.626	0.758	0.415	0.957	0.566
Compound_262	CSc1ccc(cc1C)O	0.596	0.263	0.877	0.702	0.247	0.415	0.605	0.12	0.453	0.907	0.53
Compound_263	Clc1ccc(cc1)[C@H](c1ccccn1)CCN(=O)(C)C	0.07	0.425	0.144	0.548	0.282	0.586	0.016	0.59	0.286	0.003	0.464
Compound_264	OC(=O)C1N=C(c2ccccc2)c2c(NC1=O)ccc(c2)Cl	0.713	0.707	0.601	0.528	0.73	0.748	0.913	0.412	0.542	0.414	0.826
Compound_265	CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)N1C(=O)NC(C1=O)(C)C)OC	0.344	0.617	0.954	0.545	0.402	0.564	0.026	0.294	0.398	0.42	0.442
Compound_266	CCOC(=O)C1CCCC1C(=O)OCC	0.783	0.18	0.38	0.641	0.119	0.08	0.699	0.685	0.463	0.995	0.84
Compound_267	COCCCOc1ccn(=O)c(c1C)CS(=O)c1nc2c([nH]1)cccc2	0.35	0.639	0.993	0.414	0.379	0.71	0.396	0.881	0.382	0.428	0.486
Compound_268	C	0.888	0.142	0.433	0.496	0.508	0.072	0.686	0.897	0.934	1.0	0.788
Compound_269	C=CCOC(=O)C(OC(=O)c1cc(ccc1Cl)N=C=O)(C)C	0.803	0.627	0.928	0.767	0.461	0.716	0.915	0.915	0.261	0.911	0.409
Compound_270	COCc1c(F)c(F)c(c(c1F)F)COC(=O)C1C(C1(C)C)C=CC	0.768	0.406	0.542	0.624	0.737	0.174	0.685	0.983	0.257	0.993	0.256
Compound_271	CC(=O)N[C@@H](Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F	0.39	0.657	0.084	0.506	0.174	0.696	0.354	0.985	0.451	0.113	0.15
Compound_272	CC(OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)C	0.404	0.464	0.721	0.554	0.256	0.627	0.673	0.169	0.426	0.231	0.905
Compound_273	Cc1cc(=O)[nH]o1	0.589	0.45	0.314	0.391	0.084	0.038	0.078	0.005	0.68	0.902	0.649
Compound_274	COC(=O)[C](C)C	0.731	0.016	0.303	0.528	0.032	0.004	0.985	0.797	0.138	0.782	0.793
Compound_275	C=CC(=O)N(C)C	0.421	0.069	0.816	0.639	0.095	0.029	0.277	0.97	0.667	0.976	0.526
Compound_276	O=c1[nH]c2c3c1cccc3ccc2	0.408	0.814	0.978	0.739	0.081	0.128	0.654	0.946	0.825	0.984	0.822
Compound_277	CC(=O)CCO	0.622	0.055	0.089	0.539	0.059	0.029	0.976	0.056	0.405	0.033	0.337
Compound_278	COC1=CC(=O)OC1(O)C(=C)C	0.904	0.451	0.246	0.566	0.506	0.446	0.971	1.0	0.919	0.676	0.705
Compound_279	N#CNC(=NC)NCCS(=O)Cc1[nH]cnc1C	0.219	0.338	0.642	0.287	0.252	0.755	0.0	0.468	0.293	0.065	0.27
Compound_280	O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1Cl	0.793	0.773	0.985	0.71	0.664	0.833	0.758	0.825	0.852	0.182	0.852
Compound_281	CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C	0.41	0.848	0.999	0.572	0.514	0.656	0.64	0.994	0.912	0.92	0.918
Compound_282	O=N(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O	0.579	0.328	0.042	0.41	0.094	0.278	0.022	0.477	0.269	0.906	0.073
Compound_283	CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N	0.023	0.195	0.01	0.07	0.093	0.098	0.002	0.003	0.314	0.002	0.068
Compound_284	Clc1ccc2c(c1)nccc2Cl	0.86	0.569	0.908	0.544	0.474	0.213	0.173	0.127	1.002	0.982	0.83
Compound_285	CN(CCN(C)C)CCN(C)C	0.166	0.216	0.006	0.131	0.024	0.015	0.004	0.706	0.482	0.065	0.358
Compound_286	OCC1OC(C(C1O)O)n1cnc2c1[nH]c(nc2=O)N(C)C	0.346	0.57	0.058	0.371	0.084	0.13	0.001	0.413	0.052	0.069	0.571
Compound_287	CC(CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C)C	0.966	0.085	0.925	0.581	0.16	0.137	0.987	0.038	0.354	0.979	0.645
Compound_288	Cc1cc(C)c(c(c1)C)N	0.534	0.222	0.989	0.56	0.08	0.185	0.993	0.608	0.896	0.956	0.41
Compound_289	NC1=NC23[C@@H](N1)[C@H](COC(=O)NS(=O)(=O)O)N=C(N2C[C@H](C3(O)O)OS(=O)(=O)O)N	0.433	0.466	0.175	0.355	0.301	0.517	0.008	0.144	0.213	0.009	0.585
Compound_290	NC(=O)CC1NC(=O)C(CCC(=O)N)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CCSSCC(NC1=O)C(=O)N1CCCC1C(=O)NC(C(=O)NCC(=O)N)CCCN=C(N)N)Cc1ccc(cc1)O	0.787	0.38	0.0	0.312	0.596	0.9	0.081	0.013	0.234	0.081	0.456
Compound_291	COC(=O)CC(C=C)(C)C	0.76	0.004	0.434	0.661	0.338	0.017	0.997	1.0	0.565	0.966	0.726
Compound_292	O=C(C(O)(C)C)c1ccc(cc1)C1(C)CC(c2c1cc(cc2)C(=O)C(O)(C)C)(C)C	0.374	0.696	0.134	0.591	0.259	0.967	0.163	0.141	0.498	0.091	0.958
Compound_293	OS(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1)Nc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1	0.927	0.52	0.977	0.346	0.819	0.697	0.674	0.102	0.495	0.039	0.347
Compound_294	CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C	0.835	0.002	0.658	0.693	0.093	0.053	0.996	0.551	0.289	0.99	0.859
Compound_295	Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](Cc2c(c1)O)O	0.053	0.719	0.174	0.644	0.925	0.164	0.04	0.541	0.201	0.064	0.087
Compound_296	C1OCCO1	0.72	0.183	0.403	0.502	0.059	0.127	0.848	0.489	0.55	0.949	0.729
Compound_297	OOC(C)(C)C	0.774	0.048	0.082	0.489	0.058	0.041	0.859	0.459	0.739	0.809	0.858
Compound_298	CCN(CCc1onc(n1)c1ccccc1)CC	0.188	0.593	0.658	0.392	0.13	0.732	0.004	0.939	0.511	0.078	0.154
Compound_299	CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O	0.588	0.6	0.465	0.395	0.174	0.205	0.004	0.619	0.253	0.041	0.358
Compound_300	CC1(O)CCC(CC1)C(O)(C)C	0.854	0.323	0.052	0.483	0.264	0.05	0.774	0.249	0.394	0.814	0.295
Compound_301	CCCCOCCCC	0.76	0.081	0.161	0.587	0.058	0.059	0.988	0.467	0.725	1.0	0.849
Compound_302	OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br	0.774	0.074	0.379	0.419	0.637	0.138	0.984	0.65	0.425	0.597	0.589
Compound_303	CCCC(=O)c1ccc2c(c1)N(CCCN1CCN(CC1)C)c1c(S2)cccc1	0.067	0.634	0.189	0.021	0.829	0.248	0.025	0.236	0.606	0.112	0.147
Compound_304	COc1ccc(cc1)C(=O)c1ccccc1	0.877	0.687	0.749	0.701	0.523	0.983	0.957	0.009	0.858	0.637	0.814
Compound_305	CCCOC(=O)Cc1ccc(c(c1)OC)OCC(=O)N(CC)CC	0.097	0.541	0.805	0.739	0.06	0.125	0.418	0.879	0.058	0.081	0.124
Compound_306	Clc1ccc(c(c1)Cl)COC(c1ccc(cc1Cl)Cl)Cn1cncc1	0.053	0.697	0.853	0.9	0.932	0.935	0.009	0.483	0.359	0.995	0.795
Compound_307	NCC(c1cccc(c1)O)O	0.049	0.11	0.014	0.179	0.04	0.011	0.004	0.019	0.163	0.0	0.045
Compound_308	CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)[C@@H](C)C(=O)C2=C[C@@H]3[C@H]([C@@H]2CC(=O)O1)C=C[C@H]1[C@H]3C[C@@H](C1)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC)OC)OC	0.645	0.87	0.011	0.255	0.473	0.499	0.105	0.698	0.327	0.353	0.525
Compound_309	N#C[C@]1(CCN(C[C@@H]1C)S(=O)(=O)c1ccc(cc1)C)c1ccccc1	0.25	0.531	0.064	0.529	0.618	0.356	0.008	0.264	0.424	0.01	0.367
Compound_310	COc1c(Cl)ccn(=O)c1C	0.175	0.314	0.319	0.558	0.304	0.436	0.078	0.063	0.739	0.939	0.816
Compound_311	N#CC1CCCC2N1C(CO2)c1ccccc1	0.253	0.535	0.055	0.218	0.06	0.132	0.001	0.837	0.369	0.794	0.687
Compound_312	ClCC(Cn1c(C)ncc1N(=O)=O)O	0.053	0.197	0.057	0.352	0.185	0.098	0.015	0.051	0.67	0.013	0.777
Compound_313	CC1(C)COC(=N1)c1ccccc1	0.336	0.367	0.133	0.595	0.012	0.126	0.848	0.025	0.468	0.004	0.392
Compound_314	CCCCCCCCCCCCCN1CC(C)OC(C1)C	0.608	0.247	0.005	0.111	0.035	0.387	0.552	0.584	0.497	0.634	0.072
Compound_315	OCc1coc(n1)c1ccccc1	0.289	0.391	0.712	0.659	0.386	0.567	0.158	0.984	0.621	0.004	0.74
Compound_316	O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2	0.396	0.527	0.721	0.233	0.651	0.812	0.813	0.796	0.795	0.483	0.087
Compound_317	ClC=C(c1ccccc1Cl)c1ccc(cc1)Cl	0.862	0.569	0.719	0.654	0.908	0.839	0.962	0.963	0.775	0.999	0.966
Compound_318	C=CCCCCCCCCC(=O)NCCC[N+](C)(C)C	0.317	0.26	0.009	0.386	0.029	0.151	0.575	0.909	0.328	0.004	0.293
Compound_319	CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CO	0.928	0.041	0.07	0.566	0.087	0.157	0.977	0.11	0.578	0.826	0.666
Compound_320	C=CCCCCCCCC(=O)OC	0.936	0.019	0.526	0.666	0.303	0.009	0.995	0.997	0.138	0.999	0.886
Compound_321	C=CCOc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC=C)(C)C	0.87	0.532	0.978	0.74	0.683	0.706	0.978	0.988	0.321	0.995	0.846
Compound_322	COC(=O)c1nccnc1N	0.115	0.386	0.395	0.443	0.114	0.071	0.001	0.366	0.878	0.182	0.087
Compound_323	CCCCCCCCSc1nc(SCCCCCCCC)nc(n1)Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.84	0.647	0.562	0.517	0.65	0.76	0.191	0.7	0.547	0.993	0.721
Compound_324	COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OC)(C)C	0.919	0.457	0.932	0.763	0.678	0.706	0.981	0.127	0.511	0.991	0.975
Compound_325	Oc1cc(cc(c1O)n1[nH]c2c([nH]1)cccc2)C(CC(C)(C)C)(C)C	0.587	0.688	0.606	0.632	0.549	0.747	0.906	0.808	0.736	0.764	0.745
Compound_326	CCCC1CNC(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C	0.816	0.42	0.003	0.342	0.507	0.169	0.004	0.046	0.374	0.076	0.141
Compound_327	N#N=Nc1nc(NC(C)C)nc(n1)SC	0.788	0.246	0.827	0.502	0.045	0.125	0.001	0.016	0.521	0.555	0.534
Compound_328	Cn1c(=O)[nH]c2c(c1=O)[nH]cn2	0.09	0.257	0.051	0.273	0.118	0.724	0.0	0.106	0.441	0.003	0.114
Compound_329	CCCCOC(=O)C(=C)C	0.955	0.034	0.11	0.722	0.367	0.049	0.998	0.93	0.798	0.989	0.956
Compound_330	CC(C#CC(O)C)O	0.833	0.473	0.068	0.431	0.059	0.755	0.947	0.02	0.491	0.288	0.653
Compound_331	CC=CC(=O)OC(C(C)C)CC	0.976	0.026	0.078	0.6	0.709	0.101	0.972	0.906	0.874	0.992	0.912
Compound_332	ClN=C1C=CC(=O)C=C1	0.834	0.469	0.637	0.697	0.226	0.183	0.944	0.967	0.947	0.994	0.775
Compound_333	COC(=O)COC1CCCCC1	0.828	0.194	0.086	0.48	0.053	0.08	0.985	0.99	0.486	0.914	0.256
Compound_334	COC(=O)CCCCC(=O)OC	0.647	0.003	0.296	0.58	0.034	0.014	0.991	0.948	0.318	0.505	0.801
Compound_335	CC(CN(CCCN(C)C)CCCN(C)C)O	0.061	0.136	0.004	0.106	0.022	0.017	0.001	0.047	0.049	0.016	0.144
Compound_336	Nc1ccc(cc1C(=O)c1ccccc1)N(=O)=O	0.904	0.631	0.911	0.67	0.212	0.354	0.989	0.928	0.66	0.948	0.863
Compound_337	CCC(C(=O)OCC1CO1)(CCC(C)C)C	0.919	0.158	0.658	0.644	0.432	0.089	0.935	0.647	0.244	0.986	0.749
Compound_338	OCC1OC(O)C(C(C1OC1OC(CO)C(C(C1O)O)O)O)O	0.461	0.375	0.01	0.473	0.139	0.457	0.054	0.075	0.462	0.55	0.091
Compound_339	Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1cc(Cl)c(=O)c(c1)Cl	0.356	0.227	0.027	0.274	0.675	0.654	0.121	0.409	0.13	0.014	0.153
Compound_340	OC1CCC(CC1)C1CC2C(C1(C)CC2)(C)C	0.928	0.876	0.013	0.475	0.589	0.269	0.059	0.339	0.349	0.99	0.698
Compound_341	CCCCCCCCC=CCCCCCCCC(=O)OC(C)C	0.97	0.015	0.445	0.628	0.426	0.081	0.999	0.93	0.687	1.0	0.906
Compound_342	CCCOP(=S)(SCC(=O)N1CCCCC1C)OCCC	0.28	0.473	0.575	0.598	0.103	0.375	0.28	0.047	0.375	0.911	0.359
Compound_343	CCC(COCC(CO)(CO)CC)(CO)CO	0.751	0.056	0.101	0.514	0.1	0.152	0.425	0.234	0.375	0.559	0.668
Compound_344	CN1CCOCC1	0.099	0.209	0.027	0.082	0.007	0.007	0.006	0.028	0.329	0.038	0.053
Compound_345	ClCc1cnc(s1)Cl	0.816	0.442	0.895	0.638	0.169	0.569	0.908	0.654	0.993	0.839	0.621
Compound_346	CC(=O)OC1CC[C@]2(C(C1)(Br)C(O)C[C@@H]1[C@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.669	0.916	0.027	0.705	0.695	0.653	0.018	0.748	0.122	0.927	0.629
Compound_347	CCCCCOC(=O)c1c(OC(=O)C(=O)Oc2c(Cl)cc(c(c2C(=O)OCCCCC)Cl)Cl)c(Cl)cc(c1Cl)Cl	0.415	0.566	0.944	0.757	0.736	0.612	0.934	0.985	0.44	0.899	0.868
Compound_348	CNc1cnn(c(=O)c1Cl)c1cccc(c1)C(F)(F)F	0.354	0.524	0.909	0.563	0.771	0.389	0.608	0.578	0.95	0.006	0.25
Compound_349	ClC(c1ccc(cc1)C(Cl)(Cl)Cl)(Cl)Cl	0.945	0.166	0.788	0.692	0.356	0.837	0.998	0.981	0.186	0.998	0.446
Compound_350	O=CC(C)C	0.826	0.108	0.336	0.489	0.026	0.155	0.989	0.287	0.745	0.983	0.871
Compound_351	Clc1c(C)cc(c(c1C)Cl)O	0.873	0.133	0.353	0.627	0.607	0.263	0.667	0.357	0.675	0.958	0.675
Compound_352	Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1cccc(c1)OS(=O)(=O)c1ccc(cc1)C	0.352	0.282	0.749	0.436	0.915	0.568	0.546	0.275	0.375	0.008	0.523
Compound_353	COC(=O)C(C(O)C)N	0.029	0.123	0.01	0.344	0.03	0.002	0.002	0.141	0.202	0.008	0.146
Compound_354	ClC(C1=C(Cl)C(=O)OC1O)Cl	0.952	0.385	0.102	0.643	0.196	0.418	0.976	0.989	0.84	0.947	0.918
Compound_355	CCOC(=O)C1(COC(OC1)C(C)C)C(=O)OCC	0.561	0.172	0.484	0.554	0.104	0.111	0.94	0.577	0.331	0.898	0.835
Compound_356	COP(OC)OC	0.901	0.077	0.32	0.51	0.257	0.038	0.959	0.796	0.885	0.992	0.67
Compound_357	O=C1CCCC1	0.856	0.24	0.32	0.482	0.038	0.034	0.838	0.683	0.381	0.99	0.83
Compound_358	COCN(c1c(CC)cccc1CC)C(=O)CO	0.533	0.595	0.44	0.528	0.032	0.152	0.278	0.236	0.333	0.003	0.254
Compound_359	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)[O-]	0.744	0.263	0.056	0.818	0.196	0.123	0.681	0.098	0.058	0.099	0.439
Compound_360	CC(=CCCC(C1CCC(=CC1)C)(O)C)C	0.959	0.21	0.123	0.525	0.233	0.044	0.038	0.706	0.381	0.805	0.755
Compound_361	CCCCCCCCCCC	0.993	0.047	0.309	0.578	0.128	0.048	0.996	0.989	1.0	1.0	0.819
Compound_362	N#CC(c1ccc(c(c1)OC)OC)(C(C)C)CCCNCCc1ccc(c(c1)O)OS(=O)(=O)O	0.073	0.6	0.005	0.347	0.345	0.559	0.03	0.507	0.312	0.164	0.489
Compound_363	CNc1nc(OC(=O)N(C)C)c(c(n1)C)C	0.478	0.388	0.935	0.464	0.109	0.282	0.004	0.572	0.434	0.178	0.188
Compound_364	c1ccc2c(c1)c1cc3ccccc3cc1C2	0.925	0.725	0.971	0.797	0.792	0.922	0.995	0.997	0.945	0.999	0.935
Compound_365	OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]2O)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)NC(=O)C	0.131	0.656	0.001	0.314	0.438	0.594	0.005	0.108	0.13	0.249	0.14
Compound_366	C[C@@H](C1C(=O)N2C1[C@@H](C)C(=C2C(=O)O)S[C@@H]1CN[C@@H](C1)C(=O)N(C)C)O	0.461	0.468	0.005	0.142	0.355	0.168	0.003	0.03	0.152	0.111	0.284
Compound_367	CCCCNCCCC	0.043	0.086	0.034	0.364	0.019	0.01	0.001	0.054	0.556	0.974	0.264
Compound_368	Clc1ccc2c(c1NC1=NCCN1)nsn2	0.321	0.461	0.39	0.321	0.57	0.607	0.029	0.011	0.249	0.026	0.291
Compound_369	O=N(=O)OC(CON(=O)=O)CON(=O)=O	0.705	0.249	0.117	0.393	0.072	0.133	0.711	0.891	0.602	0.913	0.269
Compound_370	N#Cc1cc(cn1NC(=O)OC(C)(C)C)Br	0.451	0.586	0.176	0.484	0.468	0.581	0.007	0.851	0.553	0.584	0.585
Compound_371	CCCCCCC	0.969	0.047	0.309	0.578	0.06	0.021	0.994	0.989	0.972	1.0	0.819
Compound_372	O=C1OCCC1O	0.487	0.191	0.021	0.62	0.043	0.133	0.272	0.359	0.252	0.044	0.018
Compound_373	CC=CCC#N	0.914	0.213	0.18	0.567	0.293	0.011	0.99	0.929	0.8	0.861	0.851
Compound_374	CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCCCC1)C	0.661	0.85	0.036	0.376	0.288	0.614	0.132	0.54	0.361	0.918	0.1
Compound_375	COC(=O)CC(C(CC(C(F)(F)F)(Cl)Cl)Cl)(C)C	0.946	0.041	0.678	0.687	0.604	0.419	0.992	0.969	0.251	0.925	0.831
Compound_376	NC#N	0.606	0.22	0.194	0.442	0.644	0.034	0.041	0.127	0.92	0.918	0.674
Compound_377	COC1CN(CCCOc2ccc(cc2)F)CCC1=O	0.22	0.446	0.62	0.261	0.027	0.058	0.013	0.927	0.467	0.054	0.086
Compound_378	CC1N(CCOC1c1ccccc1)Cc1c(=O)n(n(c1C)C)c1ccccc1	0.344	0.638	0.007	0.136	0.26	0.671	0.012	0.007	0.395	0.272	0.132
Compound_379	Cc1cccc(c1NC1=NCCCS1)C	0.053	0.24	0.156	0.309	0.169	0.098	0.025	0.039	0.424	0.022	0.025
Compound_380	C=CC(=O)NC(CC(C)(C)C)(C)C	0.282	0.027	0.069	0.499	0.09	0.122	0.017	0.982	0.438	0.895	0.406
Compound_381	CC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(C)C)C	0.384	0.096	0.028	0.392	0.164	0.23	0.702	0.632	0.412	0.871	0.249
Compound_382	CCc1ncnc(c1F)Cl	0.46	0.452	0.865	0.556	0.19	0.417	0.294	0.962	0.668	0.274	0.161
Compound_383	COc1ccccc1OCC1CO1	0.093	0.253	0.383	0.575	0.492	0.068	0.764	0.203	0.636	0.973	0.792
Compound_384	CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)c(ccc2)C(=O)OC(OC(=O)OC1CCCCC1)C	0.699	0.69	0.543	0.652	0.658	0.719	0.994	0.713	0.394	0.435	0.61
Compound_385	CC(c1cc(C(C)C)c(c(c1)C(C)C)N)C	0.532	0.229	0.913	0.554	0.134	0.277	0.77	0.241	0.912	0.933	0.5
Compound_386	CCCCCCC(S)(C)C	0.922	0.083	0.061	0.562	0.16	0.146	0.992	0.652	0.956	0.998	0.575
Compound_387	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(c1ccccc1)(C)C)n1nc2c(n1)cccc2	0.644	0.775	0.825	0.689	0.492	0.887	0.754	0.789	0.851	0.955	0.792
Compound_388	COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C(C1)(C)C)C	0.317	0.458	0.021	0.219	0.009	0.182	0.698	0.229	0.274	0.344	0.226
Compound_389	N#Cc1cc(ccc1N)C(CNC(C)(C)C)O	0.043	0.281	0.023	0.15	0.228	0.099	0.001	0.021	0.174	0.004	0.141
Compound_390	CCOC(=O)C1N=C(c2c(N=C1O)ccc(c2)Cl)c1ccccc1F	0.575	0.667	0.744	0.408	0.855	0.636	0.989	0.091	0.454	0.161	0.648
Compound_391	OC(=O)C(=O)N	0.109	0.076	0.006	0.119	0.06	0.007	0.028	0.042	0.042	0.006	0.151
Compound_392	CCC(=C(c1ccc(cc1)O)c1ccc(cc1)OCCN(C)C)c1ccccc1	0.417	0.393	0.01	0.906	0.964	0.986	0.004	0.186	0.351	0.015	0.154
Compound_393	CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl	0.417	0.745	0.665	0.423	0.506	0.711	0.987	0.25	0.617	0.612	0.436
Compound_394	NCCCOC=C	0.112	0.182	0.026	0.306	0.041	0.031	0.006	0.019	0.287	0.044	0.553
Compound_395	CC1CCC(C(C1)O)C(O)(C)C	0.917	0.422	0.051	0.46	0.117	0.029	0.856	0.116	0.399	0.903	0.391
Compound_396	CCc1cccc(c1Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1c(C)cccc1CC)C	0.524	0.782	0.919	0.584	0.94	0.516	0.991	0.953	0.717	0.732	0.972
Compound_397	Nc1ccc(cc1)OP(=S)(Oc1ccc(cc1)N)Oc1ccc(cc1)N	0.893	0.596	0.974	0.68	0.983	0.59	0.955	0.974	0.938	0.03	0.765
Compound_398	CCN(C(=O)Cl)C1CCCCC1	0.733	0.318	0.303	0.639	0.048	0.366	0.059	0.997	0.464	0.998	0.766
Compound_399	C1CCCC1	0.909	0.209	0.313	0.516	0.076	0.047	0.955	0.863	0.847	0.999	0.761
Compound_400	Clc1cc(N)c(c(n1)C(=O)O)Cl	0.152	0.455	0.875	0.414	0.533	0.29	0.606	0.196	0.551	0.317	0.208
Compound_401	CN(c1ccc(cc1)C=CC=C1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)O)C)C	0.614	0.559	0.997	0.485	0.572	0.608	0.842	0.915	0.401	0.971	0.308
Compound_402	CCCCCCCCC=CCCCCCCCC(=O)N(CCCC)CCCC	0.941	0.106	0.397	0.634	0.051	0.617	0.99	0.252	0.356	0.992	0.585
Compound_403	O=C(N1CCCCCC1=O)NCCCCCCNC(=O)N1CCCCCC1=O	0.075	0.178	0.079	0.211	0.218	0.372	0.046	0.075	0.527	0.062	0.51
Compound_404	CCN(CCNC(=O)c1c(C)[nH]c(c1C)C=C1C(=O)Nc2c1cc(F)cc2)CC	0.614	0.637	0.205	0.245	0.47	0.648	0.075	0.162	0.389	0.224	0.437
Compound_405	CC[NH2+]CCC	0.019	0.116	0.298	0.388	0.009	0.004	0.001	0.585	0.386	0.919	0.4
Compound_406	NOC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.734	0.127	0.741	0.705	0.255	0.025	0.81	0.898	0.137	0.143	0.777
Compound_407	Clc1cnn(c(=O)c1N)c1ccccc1	0.223	0.519	0.821	0.512	0.562	0.662	0.584	0.123	0.82	0.003	0.216
Compound_408	CC1OCN(C1)CN1COC(C1)C	0.158	0.398	0.021	0.142	0.11	0.031	0.019	0.413	0.28	0.925	0.402
Compound_409	CC(c1ccc(c(c1)O)C)C	0.718	0.067	0.83	0.563	0.258	0.116	0.233	0.925	0.505	0.978	0.339
Compound_410	O=C(C(c1cccs1)(c1cccs1)O)OC1C[N+]2(CCCOc3ccccc3)CCC1CC2	0.25	0.566	0.053	0.521	0.559	0.739	0.098	0.452	0.442	0.663	0.414
Compound_411	Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(c(c1)C)C	0.095	0.384	0.019	0.115	0.142	0.435	0.533	0.008	0.314	0.007	0.128
Compound_412	COC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)C(=O)OC(C)C)C	0.688	0.813	0.946	0.316	0.676	0.098	0.785	0.271	0.853	0.037	0.912
Compound_413	COC(=O)c1cc(OC)c(c(c1)OC)O	0.678	0.176	0.882	0.601	0.737	0.059	0.726	0.007	0.474	0.193	0.175
Compound_414	CCN(CCNC(=O)c1cc(Br)c(cc1OC)N)CC	0.053	0.439	0.177	0.063	0.093	0.635	0.011	0.005	0.397	0.015	0.087
Compound_415	CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1	0.051	0.639	0.066	0.11	0.74	0.312	0.853	0.013	0.374	0.01	0.114
Compound_416	ClC(=C(Cl)Cl)Cl	0.924	0.418	0.433	0.535	0.484	0.386	0.934	0.991	0.618	0.999	0.882
Compound_417	NCCN1CCNCC1	0.027	0.111	0.002	0.205	0.004	0.001	0.0	0.259	0.149	0.009	0.05
Compound_418	OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2C(=O)C[C@H]2[C@]1(C)CCC(=O)C2)C	0.741	0.888	0.052	0.184	0.106	0.236	0.086	0.526	0.242	0.955	0.279
Compound_419	CCCCCC(C=C)O	0.912	0.048	0.305	0.626	0.371	0.062	0.791	0.968	0.387	0.935	0.581
Compound_420	Fc1ccc(cc1)c1ccc(s1)Cc1cc(I)ccc1C	0.681	0.505	0.977	0.753	0.603	0.539	0.996	0.754	0.572	0.968	0.268
Compound_421	Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Oc1c(Br)c(Br)c(c(c1Br)Br)Br)Br	0.912	0.678	0.89	0.656	0.656	0.652	0.999	0.653	0.375	0.998	0.992
Compound_422	CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cc1cccs1	0.155	0.258	0.015	0.148	0.401	0.149	0.001	0.689	0.202	0.957	0.094
Compound_423	O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl	0.425	0.29	0.581	0.519	0.495	0.098	0.148	0.091	0.808	0.269	0.618
Compound_424	OCC(Nc1ccc(cc1C(=NCc1ccc(c(c1)OC)OC)O)N(=O)=O)C	0.369	0.561	0.879	0.41	0.281	0.755	0.033	0.095	0.382	0.117	0.404
Compound_425	CCCCC(COC(=O)c1c(Cl)c(Cl)c(c(c1C(=O)O)Cl)Cl)CC	0.825	0.185	0.272	0.369	0.825	0.658	0.866	0.459	0.455	0.935	0.596
Compound_426	NCCc1cnc[nH]1	0.123	0.266	0.088	0.278	0.199	0.79	0.0	0.031	0.365	0.006	0.278
Compound_427	CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.46	0.278	0.003	0.323	0.096	0.044	0.361	0.857	0.393	0.03	0.177
Compound_428	N#CSCSC#N	0.761	0.303	0.12	0.492	0.565	0.429	0.727	0.949	0.923	0.998	0.909
Compound_429	CCOP(=S)(Oc1cc(Cl)c(c(c1)SC)Cl)OCC	0.835	0.636	0.992	0.711	0.746	0.663	0.812	0.423	0.304	0.998	0.557
Compound_430	CCCCC(C(CC)C)CCC(CC(CCC(CC(C)C)CCCC(CC(C(=O)O)C)C)CCC)CC	0.754	0.015	0.233	0.231	0.189	0.02	0.968	0.174	0.238	0.94	0.535
Compound_431	O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1	0.935	0.372	0.314	0.527	0.5	0.539	0.996	0.116	0.52	0.968	0.692
Compound_432	CN(CC(=O)c1ccc(cc1)Cl)CCCN1c2ccccc2CCc2c1cccc2	0.09	0.777	0.864	0.137	0.943	0.805	0.922	0.885	0.319	0.41	0.939
Compound_433	C1COC(O1)(Cn1ncnc1)Cn1ncnc1	0.505	0.581	0.362	0.655	0.207	0.573	0.016	0.038	0.414	0.035	0.483
Compound_434	OCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O	0.129	0.273	0.106	0.114	0.026	0.083	0.002	0.087	0.121	0.09	0.022
Compound_435	NCCSCc1ccc(o1)CN(C)C	0.073	0.362	0.008	0.202	0.053	0.201	0.001	0.016	0.281	0.034	0.164
Compound_436	CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O	0.132	0.469	0.003	0.114	0.162	0.234	0.004	0.018	0.127	0.096	0.193
Compound_437	CC(=O)OC(C(Cl)(Cl)Cl)c1ccccc1	0.584	0.148	0.68	0.69	0.201	0.368	0.914	0.938	0.315	0.965	0.602
Compound_438	Cc1cc2c(C)cccc2c2c1cccc2	0.952	0.549	0.932	0.634	0.614	0.678	0.997	0.994	0.952	0.998	0.918
Compound_439	O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)c2c3c1cccc3ccc2	0.787	0.683	0.884	0.402	0.677	0.931	0.946	0.62	0.452	0.478	0.793
Compound_440	O=C1CCc2c3N1CCc3ccc2	0.64	0.609	0.627	0.562	0.011	0.124	0.027	0.415	0.698	0.701	0.271
Compound_441	CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)C)CCc1ccccc1	0.382	0.491	0.116	0.279	0.141	0.269	0.363	0.009	0.288	0.643	0.093
Compound_442	CCC(=CCC1CC=C(C1(C)C)C)C=O	0.974	0.326	0.372	0.597	0.415	0.219	0.486	0.976	0.793	1.0	0.99
Compound_443	CCC(Nc1nc(N)nc(n1)Cl)C	0.167	0.243	0.814	0.433	0.024	0.079	0.0	0.12	0.676	0.081	0.044
Compound_444	OC(=O)c1ccccc1S	0.553	0.28	0.163	0.423	0.232	0.335	0.974	0.094	0.712	0.117	0.442
Compound_445	CO[C@H]1C(C)O[C@@H](C(C1O)O)O[C@H]1CC[C@]2(C(=C1)CCC1C2CC[C@]2([C@]1(O)CC[C@@H]2c1ccc(=O)oc1)C)C	0.865	1.0	0.003	0.544	0.978	0.966	0.88	0.521	0.929	0.331	0.649
Compound_446	COc1ccc(cc1N)C(=O)Nc1ccccc1	0.777	0.725	0.999	0.792	0.129	0.616	0.37	0.156	0.597	0.566	0.696
Compound_447	CCOP(=S)(SCS(=O)C(C)(C)C)OCC	0.664	0.061	0.905	0.523	0.359	0.283	0.983	0.072	0.511	0.993	0.54
Compound_448	CCN[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1OC(=CC[C@H]1N)CN	0.053	0.808	0.003	0.144	0.281	0.336	0.001	0.171	0.131	0.304	0.16
Compound_449	Clc1ccc(cc1)Sc1ccccc1N(=O)=O	0.883	0.446	0.845	0.726	0.802	0.744	0.998	0.996	0.511	1.0	0.959
Compound_450	CCCCCCCCCC(=O)Cl	0.992	0.042	0.286	0.72	0.131	0.087	0.999	0.999	0.598	1.0	0.979
Compound_451	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C	0.869	0.612	0.788	0.665	0.981	0.617	0.589	0.778	0.25	0.202	0.462
Compound_452	OC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)F)F	0.338	0.436	0.231	0.291	0.698	0.181	0.967	0.529	0.396	0.014	0.308
Compound_453	CCCCCCCCCCCCOCCCNC(=O)c1ccc2c(c1O)cccc2NC(=O)OCC(C)C	0.703	0.824	0.055	0.534	0.443	0.964	0.679	0.762	0.443	0.679	0.485
Compound_454	CC(=O)Oc1cccc(c1)Oc1ccc(cc1Cl)C(F)(F)F	0.896	0.538	0.87	0.825	0.963	0.407	0.867	0.826	0.476	0.955	0.804
Compound_455	CC(=O)Oc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.962	0.874	0.868	0.799	0.966	0.701	0.995	0.993	0.664	0.979	0.934
Compound_456	BrC(C#N)Br	0.924	0.193	0.273	0.597	0.17	0.129	0.772	0.999	0.924	0.999	0.963
Compound_457	Clc1ccc(cc1)c1ccc(cc1)Cl	0.981	0.471	0.901	0.805	0.683	0.821	0.988	0.309	0.927	0.988	0.656
Compound_458	NC1Cc2c(C1)cccc2	0.091	0.425	0.692	0.405	0.107	0.287	0.002	0.044	0.712	0.842	0.308
Compound_459	COC(=O)C=C(NC(c1ccc(cc1)O)C(=O)O)C	0.091	0.41	0.326	0.315	0.178	0.201	0.033	0.59	0.203	0.117	0.41
Compound_460	Clc1cc2nccc(c2c(c1O)O)Cl	0.745	0.626	0.876	0.513	0.729	0.589	0.234	0.648	0.921	0.896	0.995
Compound_461	COC(=O)C(Cl)C	0.882	0.05	0.401	0.671	0.091	0.005	1.0	0.998	0.797	0.891	0.874
Compound_462	BrCCCCCCC(=O)OCC	0.785	0.033	0.551	0.778	0.193	0.06	0.996	0.979	0.091	1.0	0.966
Compound_463	NCP(=O)(O)O	0.197	0.113	0.005	0.201	0.566	0.095	0.003	0.0	0.521	0.0	0.187
Compound_464	NC(=O)OC[C@@H]1N=C(N)N2C3([C@H]1NC(=N3)N)C(O)(O)[C@@H](C2)OS(=O)(=O)O	0.373	0.436	0.029	0.289	0.209	0.469	0.007	0.014	0.117	0.022	0.594
Compound_465	c1ccc(cc1)C[n+]1cccc2c1cccc2	0.728	0.521	0.888	0.657	0.492	0.898	0.815	0.976	0.934	0.958	0.841
Compound_466	Clc1cc(N)c(cc1S(=O)(=O)N(C)C)Cl	0.208	0.396	0.78	0.478	0.651	0.655	0.072	0.704	0.367	0.842	0.439
Compound_467	Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1cc(Cl)c(cc1Cl)c1cc(Cl)c(cc1Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C	0.66	0.686	1.0	0.729	0.872	0.838	0.929	0.693	0.483	0.993	0.692
Compound_468	Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br	0.967	0.704	0.902	0.745	0.649	0.652	0.998	0.967	0.488	0.999	0.995
Compound_469	CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N	0.597	0.79	0.002	0.208	0.905	0.898	0.961	0.083	0.139	0.115	0.918
Compound_470	CCOc1nc(F)cc(n1)F	0.84	0.169	0.858	0.575	0.197	0.153	0.133	0.334	0.283	0.281	0.507
Compound_471	C#CCOC(=O)C=C(C=CCC(CCCC(C)C)C)C	0.996	0.091	0.906	0.555	0.723	0.671	0.998	0.987	0.345	0.999	0.667
Compound_472	CCCCCCCCCCCCCCCCCCNC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.241	0.521	0.009	0.326	0.043	0.902	0.008	0.785	0.501	0.018	0.09
Compound_473	O[C@H]1C[C@H](O)C(=C)C(=CC=C2CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)C1	0.94	1.0	0.154	0.723	0.932	0.898	0.526	0.99	0.347	0.989	0.861
Compound_474	N#CC(c1ccccc1)(c1ccccc1)C1CNCC1	0.049	0.402	0.023	0.302	0.42	0.249	0.087	0.106	0.415	0.005	0.328
Compound_475	Oc1ccc(c(c1)Cl)c1cc(Cl)ccc1Cl	0.964	0.758	0.913	0.76	0.955	0.723	0.977	0.846	0.927	0.966	0.954
Compound_476	SCCC(C(F)(F)F)(F)F	0.834	0.081	0.333	0.593	0.333	0.14	0.986	0.097	0.418	0.996	0.909
Compound_477	ClCCCCl	0.931	0.063	0.292	0.616	0.313	0.143	0.992	0.953	0.076	0.998	0.933
Compound_478	COc1ccc2c3c1OC1C43CCN(C(C2)C4(O)C=CC1=O)C	0.681	0.709	0.32	0.171	0.105	0.39	0.046	0.604	0.119	0.021	0.327
Compound_479	ClC(P(=O)(O)O)(P(=O)(O)O)Cl	0.432	0.204	0.108	0.348	0.787	0.339	0.151	0.291	0.492	0.289	0.474
Compound_480	Cc1cc(Cc2cc(C)c(c(c2)C(C)C)N)cc(c1N)C(C)C	0.622	0.595	0.947	0.542	0.39	0.793	0.979	0.602	0.887	0.951	0.928
Compound_481	COc1nc(OC)[nH]c(=C2c3cccc(c3N(C2=O)S(=O)(=O)C(F)F)F)n1	0.636	0.571	0.086	0.597	0.349	0.588	0.94	0.887	0.414	0.013	0.479
Compound_482	CCOC(=O)CSc1nc(nn1C(=O)N(C)C)C(C)(C)C	0.496	0.528	0.634	0.633	0.146	0.499	0.023	0.678	0.511	0.121	0.638
Compound_483	C=CCOC(=O)CC#N	0.945	0.146	0.346	0.688	0.686	0.12	0.998	0.999	0.443	0.915	0.954
Compound_484	COc1ccc(cc1)C(=O)Nc1ccc(cc1N(=O)=O)C1=NNC(=O)CC1C	0.803	0.778	0.951	0.647	0.794	0.737	0.939	0.875	0.355	0.116	0.743
Compound_485	Clc1cc(Cl)cc(c1)Cl	0.965	0.153	0.84	0.622	0.172	0.109	0.999	0.93	0.761	0.998	0.087
Compound_486	C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1	0.018	0.269	0.013	0.157	0.014	0.741	0.132	0.191	0.183	0.014	0.451
Compound_487	OCCOCCOCC	0.625	0.208	0.285	0.488	0.059	0.098	0.809	0.151	0.208	0.847	0.627
Compound_488	N#CCc1c(C)cc(c(c1C)O)C(C)(C)C	0.688	0.098	0.252	0.618	0.63	0.709	0.081	0.941	0.958	0.059	0.48
Compound_489	N#CC(C(C(C(C(OC(=C(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.967	0.436	0.845	0.645	0.668	0.173	0.996	0.971	0.433	0.985	0.934
Compound_490	NC(=Nc1scc(n1)CSCCC(=NS(=O)(=O)N)N)N	0.053	0.314	0.046	0.265	0.189	0.657	0.015	0.041	0.058	0.005	0.335
Compound_491	CCCCCCCCC=CCCCCCCCC1=NCCN1CCO	0.428	0.334	0.495	0.581	0.055	0.517	0.099	0.789	0.95	0.235	0.17
Compound_492	COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C	0.874	0.805	0.119	0.475	0.894	0.992	0.009	0.602	0.058	0.995	0.97
Compound_493	NCCCOCC	0.074	0.12	0.129	0.382	0.01	0.015	0.004	0.001	0.226	0.944	0.283
Compound_494	COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC	0.053	0.608	0.209	0.175	0.648	0.54	0.016	0.902	0.95	0.117	0.517
Compound_495	FC(S(=O)(=O)O)(F)F	0.663	0.114	0.052	0.47	0.636	0.257	0.6	0.998	0.366	0.889	0.205
Compound_496	BrCc1c(Br)c(Br)c(c(c1Br)Br)Br	0.875	0.1	0.676	0.642	0.605	0.363	0.998	0.994	0.517	0.999	0.488
Compound_497	Cc1ccc(cc1)S(=O)(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC2=O)C)C	0.835	0.786	0.06	0.552	0.917	0.704	0.034	0.198	0.331	0.986	0.277
Compound_498	Ic1ccc2c(c1)[nH]nc2	0.553	0.561	0.934	0.528	0.566	0.614	0.101	0.447	0.637	0.707	0.569
Compound_499	C=CC(=O)OCC[N+](Cc1ccccc1)(C)C	0.097	0.382	0.42	0.723	0.059	0.23	0.013	0.979	0.498	0.013	0.1
Compound_500	CC(Cl)(Cl)F	0.934	0.086	0.428	0.635	0.103	0.212	0.96	0.935	0.623	0.999	0.881
Compound_501	CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1	0.544	0.628	0.028	0.053	0.083	0.236	0.001	0.007	0.723	0.003	0.066
Compound_502	NCCC(CC(CN)(C)C)C	0.123	0.094	0.029	0.255	0.025	0.034	0.001	0.008	0.397	0.017	0.061
Compound_503	CCOc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1)OCC)C(=O)C	0.471	0.714	0.991	0.704	0.926	0.899	0.9	0.708	0.435	0.978	0.71
Compound_504	OCCOCCOc1ccccc1	0.239	0.178	0.428	0.58	0.329	0.098	0.894	0.264	0.352	0.477	0.202
Compound_505	Brc1cccc(c1)Br	0.989	0.152	0.84	0.607	0.2	0.486	0.999	0.765	0.892	0.998	0.236
Compound_506	Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2	0.053	0.202	0.027	0.089	0.268	0.234	0.015	0.006	0.207	0.024	0.087
Compound_507	CCCCCCCCN(C)C	0.929	0.231	0.003	0.11	0.04	0.373	0.024	0.45	0.934	0.444	0.428
Compound_508	CCOc1ccc(cc1c1[nH]c(=S)c2c(n1)c(CCC)nn2C)S(=O)(=O)N1CCN(CC1)CC	0.628	0.807	0.011	0.252	0.281	0.666	0.032	0.798	0.32	0.512	0.156
Compound_509	CCCCCCCCCCCCn1ccnc1	0.942	0.781	0.224	0.563	0.785	0.898	0.107	0.948	0.962	0.851	0.366
Compound_510	CCCC(C(=O)Nc1ccc(cc1)Cl)(C)C	0.806	0.445	0.973	0.754	0.269	0.612	0.84	0.428	0.483	0.571	0.228
Compound_511	CCC(C(=O)O)NC(=O)OC(C)(C)C	0.009	0.059	0.01	0.167	0.09	0.014	0.004	0.372	0.268	0.029	0.102
Compound_512	OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.783	0.644	0.851	0.657	0.857	0.897	0.449	0.306	0.234	0.97	0.993
Compound_513	C=C(c1ccccc1)OC(=O)C	0.789	0.38	0.677	0.587	0.062	0.036	0.933	0.96	0.946	0.995	0.391
Compound_514	CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)OCCCN1CCN(CC1)CCOC(=O)Cc1c2cc(OC)ccc2n(c1C)C(=O)c1ccc(cc1)Cl)CCC	0.413	0.736	0.927	0.466	0.885	0.829	0.993	0.373	0.058	0.948	0.704
Compound_515	Brc1cc(Br)c2c3c1ccc1c3c(cc2)c(cc1Br)Br	0.993	0.567	0.979	0.645	0.625	0.619	0.998	0.931	0.929	1.0	0.918
Compound_516	CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC	0.022	0.216	0.094	0.103	0.007	0.079	0.001	0.022	0.266	0.063	0.058
Compound_517	CCOP(=S)(Oc1cnc(nc1)C(C)(C)C)OC(C)C	0.66	0.496	0.967	0.551	0.122	0.172	0.027	0.624	0.543	0.615	0.375
Compound_518	COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F	0.331	0.376	0.066	0.285	0.239	0.519	0.175	0.729	0.293	0.017	0.296
Compound_519	CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(C(CCC)CC)CCC	0.966	0.12	0.112	0.499	0.093	0.105	0.993	0.008	0.66	0.993	0.832
Compound_520	CCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCC	0.988	0.078	0.234	0.807	0.88	0.746	1.0	0.994	0.972	1.0	0.943
Compound_521	CO[C@H]1C[C@H](O[C@H]2[C@@H](C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)C(C)C)C)O[C@H]([C@H]1O[C@H]1C[C@@H](OC)[C@@H]([C@@H](O1)C)NC(=O)C)C	0.952	0.89	0.111	0.436	0.855	0.924	0.062	0.998	0.813	0.552	0.391
Compound_522	O=C1C2(C)CCCC1(C)CC2	0.976	0.627	0.416	0.52	0.107	0.142	0.754	0.744	0.209	0.997	0.565
Compound_523	COC1CCC(O1)OC	0.867	0.193	0.29	0.607	0.024	0.085	0.998	0.891	0.552	0.161	0.719
Compound_524	CCNc1nc(nc(n1)Cl)NC(C(=O)O)(C)C	0.155	0.273	0.631	0.251	0.043	0.012	0.0	0.195	0.393	0.096	0.12
Compound_525	CCC(c1ccccc1)O	0.202	0.112	0.133	0.397	0.044	0.064	0.77	0.197	0.06	0.385	0.104
Compound_526	CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O	0.137	0.423	0.129	0.298	0.261	0.174	0.12	0.118	0.404	0.972	0.5
Compound_527	Cc1ccc(cc1)Oc1ccc(cc1)c1ccccc1	0.899	0.699	0.916	0.777	0.952	0.987	0.952	0.844	0.787	0.979	0.725
Compound_528	O=C(c1ccc(c(c1O)O)O)c1cc(O)c(c(c1)O)O	0.944	0.761	0.856	0.772	0.939	0.898	0.936	0.979	0.842	0.953	0.658
Compound_529	CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCC(=O)N)CC(=O)O)Cc1ccc(cc1)OS(=O)(=O)O	0.627	0.609	0.011	0.242	0.831	0.661	0.943	0.122	0.381	0.051	0.523
Compound_530	CC(C(CN(C)C)C)OC(=O)c1ccc(cc1)N	0.027	0.449	0.137	0.212	0.041	0.646	0.034	0.009	0.35	0.02	0.244
Compound_531	Clc1nc(nc(n1)Nc1ccc(cc1S(=O)(=O)O)C)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1cc(C)c(cc1S(=O)(=O)O)C)S(=O)(=O)O	0.737	0.433	1.001	0.518	0.754	0.719	0.818	0.65	0.464	0.945	0.45
Compound_532	NCCc1ccc(c(c1)OC)OC	0.123	0.134	0.252	0.562	0.012	0.188	0.004	0.011	0.132	0.003	0.017
Compound_533	CC(CCC(C(C1CCC2(C1(C)CCC1C2=CC(=O)C2C1(C)CC(O)C(C2)O)O)(O)C)O)C	0.937	1.0	0.618	0.771	0.952	0.954	0.068	0.888	0.167	0.92	0.065
Compound_534	Cc1cccc(c1)Cl	0.862	0.14	0.873	0.656	0.093	0.042	0.997	0.936	0.637	0.996	0.044
Compound_535	Clc1cc(cc(c1)C(F)(F)F)C(=O)C(F)(F)F	0.937	0.126	0.938	0.709	0.5	0.403	0.987	0.943	0.482	0.997	0.742
Compound_536	ClCC(Cl)Cl	0.915	0.102	0.433	0.593	0.222	0.525	0.927	0.983	0.904	0.998	0.933
Compound_537	Clc1c(cccc1Cl)C(=O)C#N	0.918	0.145	0.87	0.626	0.571	0.4	0.994	0.997	0.759	0.989	0.968
Compound_538	O=C1CCCCC1=O	0.883	0.099	0.138	0.469	0.042	0.044	0.928	0.399	0.18	0.977	0.66
Compound_539	CC(COP(=O)(OCC(Cl)C)O)Cl	0.842	0.221	0.087	0.434	0.11	0.065	0.991	0.714	0.559	0.558	0.48
Compound_540	CCCc1cc(CCC)c(c(c1)CCC)CCC	0.468	0.19	0.476	0.557	0.058	0.035	0.969	0.752	0.986	1.0	0.471
Compound_541	CCN(C(=S)SC)CC	0.086	0.186	0.501	0.617	0.019	0.48	0.098	0.627	0.869	0.996	0.647
Compound_542	Cc1ccccc1Cl	0.895	0.076	0.732	0.65	0.135	0.044	0.995	0.458	0.799	0.999	0.141
Compound_543	O=c1ccc2c(o1)cc(c(c2)O)O	0.926	0.456	0.919	0.524	0.838	0.137	0.292	0.819	0.883	0.2	0.694
Compound_544	BrN1C(=O)N(C(C1=O)(C)C)Br	0.342	0.361	0.261	0.604	0.052	0.13	0.26	0.993	0.605	0.503	0.545
Compound_545	CCCCCn1cc(c2c1cccc2)C(=O)Cc1ccccc1Cl	0.441	0.499	0.787	0.536	0.709	0.443	0.951	0.899	0.596	0.559	0.91
Compound_546	O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)CCC(=O)O	0.053	0.379	0.039	0.125	0.177	0.546	0.018	0.005	0.214	0.002	0.075
Compound_547	CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)C	0.325	0.629	0.9	0.693	0.859	0.77	0.998	0.157	0.474	0.021	0.97
Compound_548	CC(OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)OC(C)C)C	0.595	0.397	0.95	0.669	0.11	0.208	0.992	0.13	0.524	0.925	0.797
Compound_549	ClCC(=O)Cl	0.925	0.063	0.454	0.656	0.39	0.071	0.982	1.0	0.982	0.995	0.992
Compound_550	CCCN(CCC)CCC	0.199	0.287	0.057	0.117	0.032	0.054	0.01	0.322	0.685	0.931	0.451
Compound_551	OCC(Br)(Br)Br	0.773	0.062	0.115	0.608	0.089	0.117	0.858	0.471	0.798	0.867	0.972
Compound_552	Clc1ccc(c(n1)C(Cl)(Cl)Cl)Cl	0.703	0.324	0.495	0.608	0.717	0.807	0.985	0.974	0.486	0.983	0.32
Compound_553	CCSC(=O)NCCCN(C)C	0.047	0.1	0.014	0.121	0.049	0.022	0.001	0.038	0.269	0.896	0.26
Compound_554	C=CCOC(=O)C1C(C)CCCC1(C)C	0.972	0.197	0.504	0.674	0.709	0.082	0.835	0.996	0.204	0.996	0.395
Compound_555	NCCC1CCCCC1	0.297	0.076	0.054	0.342	0.038	0.135	0.002	0.011	0.682	0.059	0.021
Compound_556	Clc1ccc(cc1N)C(F)(F)F	0.916	0.385	0.922	0.578	0.337	0.147	0.996	0.837	0.721	0.991	0.549
Compound_557	Oc1c(cc(cc1C1CCCCC1)Cn1c(=O)n(Cc2cc(C3CCCCC3)c(c(c2)C2CCCCC2)O)c(=O)n(c1=O)Cc1cc(C2CCCCC2)c(c(c1)C1CCCCC1)O)C1CCCCC1	0.516	0.371	0.063	0.584	0.805	0.975	0.122	0.104	0.738	0.032	0.322
Compound_558	C=Cc1ccc(cc1)S(=O)(=O)Cl	0.877	0.461	0.59	0.672	0.279	0.107	0.991	0.971	0.453	0.998	0.516
Compound_559	ClCc1ccc(cc1)Cl	0.912	0.146	0.766	0.673	0.35	0.438	0.995	0.956	0.926	0.994	0.157
Compound_560	OC(=O)C(c1ccc2c(c1)nc(o2)c1ccc(cc1)Cl)C	0.122	0.553	0.504	0.517	0.741	0.618	0.973	0.619	0.099	0.221	0.649
Compound_561	O=C(c1ccc(cc1)C)OOC(=O)c1ccc(cc1)C	0.626	0.554	0.841	0.587	0.125	0.356	0.992	0.048	0.582	0.564	0.825
Compound_562	OCC(=O)[C@H]1[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F	0.965	1.0	0.077	0.96	0.725	0.951	0.013	0.104	0.062	0.153	0.064
Compound_563	N#Cc1ccccc1c1cc(cn(c1=O)c1ccccc1)c1ccccn1	0.627	0.666	0.286	0.74	0.581	0.407	0.158	0.683	0.751	0.06	0.624
Compound_564	CN(Cc1cccc2c1cccc2)CC=CC#CC(C(=O)O)(C)C	0.116	0.532	0.021	0.135	0.093	0.905	0.082	0.082	0.414	0.165	0.229
Compound_565	CCOC(=O)C1=NN(C(=O)C1)c1ccccc1	0.665	0.39	0.88	0.618	0.161	0.321	0.893	0.127	0.403	0.017	0.449
Compound_566	OCCN(C1CCCCC1)CCO	0.194	0.184	0.128	0.083	0.059	0.425	0.003	0.093	0.286	0.023	0.285
Compound_567	NNS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)NN	0.451	0.3	0.237	0.257	0.356	0.653	0.058	0.172	0.293	0.005	0.412
Compound_568	N#Cc1c(N)sc(c1C)C	0.437	0.462	0.618	0.543	0.267	0.204	0.944	0.592	0.847	0.953	0.562
Compound_569	CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C=CC1=C(C)CCCC1(C)C	0.853	0.546	0.927	0.664	0.986	0.924	0.989	0.909	0.992	0.981	0.794
Compound_570	COc1ccc(cc1)Cc1ccc(cc1)O	0.886	0.685	0.776	0.729	0.789	0.957	0.74	0.035	0.705	0.215	0.686
Compound_571	BrN1C(=O)CCC1=O	0.45	0.349	0.17	0.608	0.069	0.095	0.912	0.973	0.66	0.616	0.592
Compound_572	SC(=S)N1CCCCC1	0.176	0.121	0.023	0.344	0.03	0.871	0.114	0.019	0.969	0.979	0.058
Compound_573	ClC=C(C(=CCl)Cl)Cl	0.932	0.306	0.433	0.562	0.714	0.499	0.999	0.984	0.919	0.999	0.939
Compound_574	FC(=C(F)F)OC(C(C(OC(=C(F)F)F)(F)F)(F)F)(F)F	0.889	0.314	0.891	0.621	0.332	0.031	0.908	0.964	0.454	0.993	0.969
Compound_575	CC1CCCCC1O	0.844	0.221	0.056	0.506	0.018	0.015	0.96	0.268	0.362	0.873	0.064
Compound_576	CCC(CCCCOC(=O)C=Cc1ccc(cc1)OC)C	0.973	0.36	0.352	0.805	0.647	0.81	0.963	0.319	0.839	0.997	0.8
Compound_577	CC(CC1OCCC(C1)C)C	0.956	0.194	0.608	0.457	0.054	0.039	0.946	0.122	0.488	0.896	0.369
Compound_578	COc1cc(ccc1OC)C(N(C)C)CCCc1ccccc1	0.166	0.454	0.105	0.261	0.065	0.794	0.001	0.86	0.36	0.01	0.148
Compound_579	BrC1CCCC1	0.905	0.246	0.401	0.638	0.262	0.052	0.987	0.968	0.757	0.999	0.678
Compound_580	CN	0.429	0.074	0.211	0.453	0.349	0.034	0.008	0.02	0.876	0.966	0.516
Compound_581	COc1cc2c(cc1O)C[C@H]1c3c2c(OC)c(O)cc3CCN1C	0.187	0.724	0.46	0.324	0.192	0.318	0.015	0.841	0.207	0.122	0.287
Compound_582	CCCCCCCCCCCCCC(=O)Cl	0.992	0.042	0.286	0.72	0.131	0.087	0.999	0.999	0.598	1.0	0.979
Compound_583	OS(=O)(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OS(=O)(=O)O	0.07	0.515	0.13	0.292	0.813	0.831	0.873	0.054	0.343	0.177	0.506
Compound_584	CC(CNc1ccc2c(c1S(=O)(=O)O)Oc1c(=N2)c(Cl)c2c(=Nc3c(O2)c(c(cc3)NCC(N)C)S(=O)(=O)O)c1Cl)N	0.434	0.529	0.793	0.399	0.699	0.652	0.576	0.028	0.392	0.05	0.489
Compound_585	COC(=O)CC(C(CC(Cl)(Cl)Cl)Cl)(C)C	0.881	0.042	0.352	0.71	0.545	0.774	0.994	0.995	0.209	0.925	0.827
Compound_586	O=C(Nc1ccccc1)Cc1ccccc1	0.411	0.583	0.952	0.619	0.117	0.775	0.97	0.633	0.451	0.935	0.743
Compound_587	N#Cc1c(OCC2CCCN(C2)C(=O)CC(C)C)cccc1N	0.134	0.515	0.979	0.549	0.485	0.192	0.16	0.921	0.426	0.048	0.264
Compound_588	c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1	0.988	0.649	0.973	0.588	0.937	0.898	0.998	0.936	0.948	1.0	0.952
Compound_589	COC(=O)CCC(C1CCC2C1(C)C(O)CC1C2C(O)CC2C1(C)CCC(C2)O)C	0.63	0.895	0.031	0.635	0.801	0.846	0.025	0.861	0.197	0.925	0.271
Compound_590	Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O	0.73	0.817	0.99	0.739	0.97	0.898	0.998	0.934	0.729	0.486	0.994
Compound_591	Nc1ccc(c(c1)N(=O)=O)N	0.976	0.18	0.963	0.495	0.495	0.146	0.935	0.994	0.799	0.977	0.909
Compound_592	CCC1=C(C)CN(C1=O)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCC(CC1)C	0.061	0.599	0.009	0.118	0.246	0.557	0.986	0.186	0.334	0.381	0.176
Compound_593	COc1ccc(cc1)CN(S(=O)(=O)C)C	0.331	0.486	0.588	0.666	0.011	0.842	0.08	0.155	0.381	0.339	0.374
Compound_594	CC(=O)Nc1ccc(cc1)OS(=O)(=O)O	0.473	0.405	0.246	0.424	0.407	0.417	0.081	0.056	0.31	0.042	0.519
Compound_595	CC(c1ccc(c(c1)Sc1cc(ccc1O)C(CC(C)(C)C)(C)C)O)(CC(C)(C)C)C	0.569	0.497	0.437	0.667	0.756	0.791	0.843	0.127	0.56	0.997	0.849
Compound_596	CNC(=O)N(c1nnc(s1)C(F)(F)F)C	0.279	0.413	0.197	0.385	0.088	0.349	0.013	0.992	0.404	0.014	0.45
Compound_597	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)c2ccccc2cc1)CC	0.15	0.769	0.935	0.562	0.851	0.723	0.989	0.844	0.459	0.132	0.841
Compound_598	OOC(c1ccc(cc1)C(C)C)(C)C	0.494	0.149	0.732	0.496	0.113	0.153	0.524	0.132	0.594	0.717	0.63
Compound_599	O=C1NC(=O)C(C(=O)N1C)(C)C1=CCCCC1	0.418	0.63	0.621	0.391	0.109	0.16	0.003	0.318	0.356	0.114	0.36
Compound_600	CCOCCOCC	0.786	0.067	0.659	0.526	0.051	0.051	0.971	0.051	0.421	0.991	0.834
Compound_601	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)C[C@@H]([C@@H]2C1=CC(=O)OC1)O)C)C	0.98	0.99	0.03	0.739	0.971	0.77	0.531	0.987	0.854	0.812	0.559
Compound_602	OCC(Cn1c(=O)c2n(C)cnc2n(c1=O)C)O	0.123	0.486	0.009	0.164	0.112	0.103	0.001	0.009	0.102	0.001	0.169
Compound_603	ClCCN(C(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C)CCCl	0.952	0.771	0.012	0.655	0.968	0.935	0.144	0.911	0.108	0.564	0.642
Compound_604	Clc1ccc(c(c1)NC(=O)Nc1ccc(c(c1)Cl)Cl)Oc1ccc(cc1S(=O)(=O)O)Cl	0.518	0.375	0.996	0.667	0.738	0.659	0.354	0.89	0.426	0.759	0.511
Compound_605	COc1c2oc(=O)ccc2cc2c1occ2	0.053	0.616	0.905	0.649	0.072	0.479	0.022	0.075	0.62	0.094	0.912
Compound_606	OC1C(N)CC(OC1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C	0.952	0.972	0.015	0.847	0.899	0.923	0.987	0.966	0.95	0.042	0.918
Compound_607	COc1cc(ccc1OC)CC(C(=O)O)NC(=O)C	0.06	0.378	0.071	0.174	0.008	0.043	0.012	0.02	0.264	0.017	0.007
Compound_608	OC(=O)[C@@H]1Cc2c(N1)cccc2	0.376	0.335	0.528	0.219	0.093	0.01	0.053	0.01	0.19	0.011	0.174
Compound_609	Cc1[nH]n2c(c1)nc1c(c2=O)cccc1	0.285	0.681	0.91	0.406	0.116	0.512	0.318	0.442	0.547	0.004	0.194
Compound_610	CN(c1ccc(cc1)O)C	0.875	0.402	0.927	0.641	0.59	0.308	0.232	0.777	0.941	0.582	0.368
Compound_611	CCc1c(Br)cc(cc1Br)Br	0.926	0.15	0.71	0.665	0.259	0.648	0.997	0.838	0.53	0.999	0.313
Compound_612	Cc1ccc(c(c1)C(C)(C)C)O	0.65	0.051	0.862	0.637	0.441	0.959	0.035	0.942	0.872	0.988	0.5
Compound_613	O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O	0.856	0.505	0.97	0.566	0.038	0.057	0.976	0.076	0.62	0.105	0.931
Compound_614	CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C=CC(=O)OC(C)(C)C)C(=O)OCC)C	0.702	0.887	0.893	0.753	0.541	0.898	0.939	0.895	0.521	0.282	0.937
Compound_615	CCOP(OCC)OCC	0.9	0.101	0.661	0.514	0.041	0.01	0.971	0.274	0.461	0.998	0.627
Compound_616	COP(=S)(SCC(=O)N(C=O)C)OC	0.253	0.051	0.65	0.621	0.103	0.192	0.237	0.038	0.505	0.391	0.597
Compound_617	CC(=O)OCC(OC(=O)C)C	0.816	0.006	0.282	0.623	0.1	0.038	0.99	0.098	0.852	0.271	0.834
Compound_618	COC(=O)CC(CC(C=Cc1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C)O)O	0.708	0.632	0.708	0.688	0.634	0.892	0.295	0.989	0.386	0.854	0.658
Compound_619	Nc1c(N)cnn1CCO	0.283	0.381	0.438	0.415	0.107	0.262	0.013	0.266	0.404	0.001	0.425
Compound_620	Clc1ccc(cc1)Sc1ccccc1N	0.551	0.537	0.951	0.733	0.775	0.766	0.997	0.988	0.759	0.999	0.853
Compound_621	CN=C(Oc1cc(C)cc(c1C)C)O	0.203	0.339	0.937	0.401	0.08	0.257	0.311	0.183	0.876	0.218	0.121
Compound_622	Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C	0.787	0.601	0.906	0.604	0.776	0.139	0.992	0.886	0.568	0.991	0.784
Compound_623	COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(n1)C	0.287	0.401	0.212	0.209	0.399	0.772	0.017	0.043	0.272	0.143	0.425
Compound_624	CC(OC(=O)C=C(N)C)C	0.24	0.103	0.431	0.576	0.353	0.065	0.826	0.939	0.95	0.611	0.713
Compound_625	O=C(c1ccc(cc1)Cl)c1ccc(cc1)OC(O)(C)C	0.547	0.607	0.8	0.677	0.942	0.987	0.808	0.317	0.34	0.124	0.706
Compound_626	Clc1cc(Cl)c2c(c1)ncc(c2O)C(=O)O	0.383	0.567	0.846	0.408	0.757	0.362	0.664	0.7	0.611	0.39	0.901
Compound_627	O=C1CCC2(C(=C1)CCC1C2(F)C(O)CC2(C1CCC2(C)O)C)C	0.97	1.0	0.062	0.965	0.899	0.897	0.006	0.181	0.115	0.996	0.056
Compound_628	CCCOCC(O)C	0.628	0.085	0.074	0.511	0.073	0.098	0.877	0.153	0.283	0.749	0.556
Compound_629	CCN(CCOc1ccccc1C(=O)CCc1ccccc1)CC	0.111	0.47	0.15	0.251	0.201	0.412	0.036	0.099	0.323	0.042	0.214
Compound_630	ClCC(F)F	0.937	0.091	0.433	0.593	0.323	0.049	0.935	0.983	0.967	0.998	0.937
Compound_631	FC(COc1cccnc1S(=O)(=O)N)(F)F	0.226	0.357	0.118	0.376	0.234	0.499	0.651	0.595	0.277	0.004	0.344
Compound_632	N#CCCN1C(=O)C(O)N=C(c2c1ccc(c2)Cl)c1ccccc1F	0.863	0.635	0.76	0.74	0.744	0.83	0.467	0.769	0.502	0.177	0.746
Compound_633	O=N(=O)c1cc(Br)c(c(c1)Br)N(=O)=O	0.991	0.291	0.929	0.688	0.594	0.652	0.999	0.992	0.81	1.0	0.823
Compound_634	CCCCCCCCCCCCCC(=O)n1nnc2c1cccc2	0.628	0.588	0.503	0.575	0.277	0.287	0.938	0.831	0.684	0.756	0.313
Compound_635	BrC(C(=O)C)Br	0.873	0.121	0.435	0.619	0.568	0.104	0.985	0.997	0.741	1.0	0.951
Compound_636	NCc1ccc(cc1)c1ccccc1c1n[nH]nn1	0.474	0.605	0.781	0.682	0.347	0.799	0.257	0.262	0.582	0.016	0.479
Compound_637	NC1Cc2c(C1)cc1c(c2)OCO1	0.294	0.394	0.621	0.464	0.169	0.533	0.007	0.082	0.227	0.586	0.603
Compound_638	Oc1c(cc(cc1n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C)Cc1cc(cc(c1O)n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C	0.554	0.718	0.637	0.619	0.619	0.842	0.823	0.256	0.73	0.876	0.757
Compound_639	Clc1ccc(c(c1)Cl)O	0.943	0.149	0.354	0.527	0.322	0.11	0.822	0.772	0.869	0.994	0.918
Compound_640	O=C(C(C)(C)C)C=Cc1ccc(cc1)Cl	0.972	0.189	0.87	0.762	0.342	0.499	0.863	0.225	0.402	0.999	0.605
Compound_641	Clc1cc(Cl)c(c(c1)C(=O)Nc1ccc(c(c1)Cl)Cl)O	0.956	0.721	0.98	0.843	0.675	0.898	0.955	0.992	0.479	0.981	0.977
Compound_642	COC(=O)CN(c1sc(c(c1C#N)CC(=O)OC)C(=O)OC)CC(=O)OC	0.524	0.491	0.359	0.481	0.355	0.322	0.396	0.673	0.424	0.106	0.709
Compound_643	CC(OB(OC(C)C)OC(C)C)C	0.725	0.077	0.315	0.51	0.552	0.751	0.996	0.882	0.869	0.998	0.711
Compound_644	OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)O	0.893	0.214	0.223	0.621	0.111	0.096	0.881	0.023	0.038	0.854	0.068
Compound_645	Nc1ccc(c(n1)N)N=Nc1cccnc1	0.764	0.852	0.916	0.703	0.099	0.733	0.02	0.885	0.883	0.06	0.436
Compound_646	CCOC=C(C(=O)C(F)F)C(=O)OCC	0.885	0.197	0.355	0.609	0.724	0.412	0.997	0.972	0.5	0.995	0.963
Compound_647	c1ccc(cc1)c1ncc(o1)c1ccccc1	0.228	0.568	0.979	0.841	0.293	0.549	0.154	0.496	0.978	0.82	0.888
Compound_648	O=C(C(=O)c1ccc(cc1)Br)c1ccc(cc1)Br	0.863	0.541	0.674	0.616	0.204	0.647	0.964	0.519	0.398	0.932	0.97
Compound_649	CCc1ccccc1N	0.617	0.267	0.872	0.423	0.108	0.164	0.991	0.866	0.871	0.829	0.292
Compound_650	NNS(=O)(=O)c1ccc(cc1)C	0.22	0.228	0.194	0.201	0.233	0.289	0.337	0.047	0.394	0.034	0.372
Compound_651	COC(=O)OC1CCCC=CCC1	0.953	0.226	0.13	0.595	0.432	0.109	0.995	0.944	0.538	0.997	0.583
Compound_652	CCCCCC(C(=CCC)C)O	0.967	0.086	0.087	0.647	0.209	0.057	0.266	0.929	0.452	0.987	0.912
Compound_653	O=C=Nc1ccc(cc1Cl)Cl	0.901	0.533	0.874	0.738	0.291	0.301	0.998	0.95	0.86	0.981	0.857
Compound_654	C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F	0.191	0.493	0.228	0.419	0.392	0.898	0.904	0.118	0.95	0.008	0.24
Compound_655	COC(=O)CC(=O)C	0.693	0.012	0.261	0.521	0.057	0.027	0.993	0.957	0.49	0.053	0.648
Compound_656	COc1ccc(cc1)C(=O)Oc1ccc(cc1)C	0.863	0.702	0.885	0.694	0.825	0.663	0.959	0.018	0.77	0.259	0.493
Compound_657	CCCN(c1c(cc(cc1N(=O)=O)S(=O)(=O)C)N(=O)=O)CCC	0.952	0.29	0.088	0.586	0.488	0.514	0.772	0.492	0.402	0.41	0.515
Compound_658	CC(c1cc(Cl)c(cc1O)C)C	0.621	0.11	0.738	0.712	0.544	0.214	0.437	0.116	0.754	0.98	0.606
Compound_659	COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC	0.664	0.438	0.835	0.519	0.374	0.862	0.208	0.835	0.727	0.627	0.61
Compound_660	O1CC=CC1	0.943	0.243	0.422	0.551	0.197	0.097	0.995	0.916	0.868	0.999	0.824
Compound_661	CC(=O)c1ccc2c(c1)cccc2	0.958	0.758	0.93	0.622	0.057	0.437	0.652	0.967	0.907	0.996	0.97
Compound_662	Brc1c(Br)c(C(=O)O)c(c(c1Br)Br)Br	0.716	0.062	0.379	0.4	0.631	0.172	0.989	0.65	0.43	0.889	0.468
Compound_663	OCC(COC(=O)C(CO)(C)C)(C)C	0.767	0.025	0.073	0.61	0.183	0.083	0.251	0.135	0.339	0.498	0.406
Compound_664	FC(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F	0.948	0.065	0.745	0.662	0.339	0.027	0.974	0.182	0.237	1.0	0.9
Compound_665	CCc1c(C)cc(c(c1N)CC)N	0.447	0.26	0.881	0.579	0.142	0.169	0.88	0.496	0.973	0.973	0.298
Compound_666	OCCN1CCN(CC1)CCS(=O)(=O)O	0.026	0.328	0.037	0.077	0.07	0.146	0.002	0.436	0.307	0.189	0.408
Compound_667	CN1CCCN=C1C=Cc1cccs1	0.288	0.484	0.101	0.331	0.12	0.587	0.03	0.946	0.836	0.009	0.023
Compound_668	N[C@H](c1ccccc1)C(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl	0.351	0.236	0.022	0.622	0.281	0.258	0.001	0.395	0.069	0.083	0.29
Compound_669	CCC(C(=O)OC1CCC=C2C1C(CCC1CC(O)CC(=O)O1)C(C=C2)C)C	0.952	0.846	0.059	0.744	0.905	0.645	0.1	0.979	0.372	0.975	0.239
Compound_670	CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4c(c3Cn1c2=O)CC)OC(=O)N1CCC(CC1)N1CCCCC1	0.952	0.769	0.135	0.458	0.808	0.74	0.103	0.598	0.395	0.17	0.918
Compound_671	CCOC(=O)CC1CCC=C1	0.832	0.139	0.47	0.701	0.37	0.022	0.991	0.994	0.15	1.0	0.937
Compound_672	Cn1cnc(c1Sc1ncnc2c1[nH]cn2)N(=O)=O	0.084	0.431	0.377	0.414	0.561	0.655	0.012	0.948	0.538	0.751	0.918
Compound_673	OCC1OC(Oc2cc3CCC(c4c(c3c(c2OC)OC)ccc(c(=O)c4)OC)NC(=O)C)C(C(C1O)O)O	0.32	0.828	0.032	0.487	0.194	0.435	0.042	0.806	0.372	0.032	0.078
Compound_674	Cc1csc2c1cccc2Cl	0.809	0.683	0.952	0.561	0.558	0.564	0.998	0.946	0.844	0.997	0.07
Compound_675	OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(cc1)O)N	0.061	0.464	0.081	0.406	0.905	0.898	0.96	0.066	0.158	0.079	0.301
Compound_676	CCn1c2ccc(cc2c2c1cccc2)N(=O)=O	0.952	0.653	0.94	0.576	0.518	0.872	0.986	0.947	0.425	0.993	0.918
Compound_677	OCC[N+]1=C(CCCCCCCCCCCCCCC(C)C)N(CC1)CCC(=O)[O-]	0.225	0.372	0.092	0.303	0.033	0.134	0.047	0.227	0.336	0.008	0.162
Compound_678	C=CCCCCCCCCC(=O)NC(C(=O)O)Cc1ccccc1	0.132	0.274	0.081	0.239	0.017	0.018	0.045	0.326	0.272	0.107	0.118
Compound_679	CN(C(CN1c2ccccc2S(=O)c2c1cccc2)C)C	0.072	0.549	0.619	0.307	0.796	0.092	0.002	0.599	0.043	0.221	0.182
Compound_680	CC(CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C)C	0.871	0.012	0.658	0.693	0.145	0.06	0.998	0.551	0.1	0.98	0.799
Compound_681	Clc1ccc(cn1)C(Cl)(Cl)Cl	0.541	0.238	0.456	0.662	0.136	0.576	0.034	0.672	0.063	0.935	0.143
Compound_682	OCC1OC(OC2C(N)CC(C(C2O)OC2OC(CN)C(C(C2O)O)O)N)C(C(C1O)N)O	0.036	0.864	0.004	0.242	0.229	0.463	0.001	0.006	0.113	0.066	0.087
Compound_683	COc1nc(OC)nc(n1)Cl	0.803	0.153	0.597	0.578	0.114	0.036	0.397	0.363	0.833	0.215	0.207
Compound_684	Cc1ccnc2c1[nH]c(=O)c1c(n2C2CC2)nccc1	0.32	0.707	0.198	0.644	0.158	0.098	0.018	0.129	0.609	0.018	0.171
Compound_685	CNC(CC1CCCC1)C	0.247	0.205	0.062	0.269	0.032	0.149	0.0	0.092	0.429	0.139	0.137
Compound_686	Clc1ccc(cc1Cl)C(Cl)(Cl)Cl	0.933	0.194	0.962	0.719	0.317	0.541	0.996	0.994	0.344	1.0	0.429
Compound_687	Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CCNCC1	0.429	0.635	0.421	0.534	0.543	0.599	0.062	0.669	0.455	0.031	0.258
Compound_688	CCOC(=O)CN=C(c1ccccc1)c1ccccc1	0.505	0.681	0.726	0.674	0.5	0.466	0.867	0.541	0.337	0.803	0.507
Compound_689	Brc1[nH]c(cc1Br)C(=O)c1ccccc1	0.541	0.467	0.471	0.571	0.557	0.656	0.81	0.544	0.945	0.865	0.827
Compound_690	CCOC(=O)C(c1ccccc1)SP(=S)(OC)OC	0.421	0.299	0.952	0.641	0.246	0.08	0.989	0.299	0.606	0.959	0.512
Compound_691	CC=C(C(=O)O[C@H]1C[C@@H](OC(=O)C)[C@@]2([C@H]3[C@@]41CO[C@]([C@H]4[C@@](C)([C@@H]([C@@H]3OC2)O)[C@@]12O[C@@]2(C)[C@H]2C[C@@H]1O[C@H]1[C@]2(O)C=CO1)(O)C(=O)OC)C(=O)OC)C	0.846	0.92	0.033	0.606	0.914	0.663	0.885	0.987	0.637	0.759	0.987
Compound_692	C=CCCCCCCCCC(=O)Cl	0.992	0.133	0.312	0.729	0.544	0.093	0.999	0.995	0.108	1.0	0.974
Compound_693	C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O	0.102	0.763	0.005	0.521	0.026	0.898	0.928	0.821	0.924	0.139	0.026
Compound_694	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cno3	0.952	0.99	0.017	0.611	0.905	0.898	0.253	0.176	0.441	0.522	0.689
Compound_695	N#Cc1cc(ccc1N=Nc1ccc(cc1)N(CCC(=O)OCCN1C(=O)c2c(C1=O)cccc2)C)N(=O)=O	0.766	0.695	0.883	0.684	0.882	0.574	0.996	0.891	0.446	0.703	0.523
Compound_696	CCNc1cc(cc(c1O)Cl)N(=O)=O	0.412	0.221	0.847	0.489	0.647	0.391	0.01	0.669	0.554	0.353	0.878
Compound_697	N#CCC#N	0.905	0.338	0.205	0.507	0.158	0.067	0.925	0.946	0.753	0.975	0.87
Compound_698	ClC(=O)C(Cl)(C)C	0.93	0.102	0.402	0.667	0.223	0.079	0.999	0.985	0.746	0.99	0.952
Compound_699	COC(CNC(=O)C=C)OC	0.106	0.073	0.318	0.475	0.083	0.024	0.005	0.992	0.537	0.303	0.369
Compound_700	N#CC(=NOCC#N)c1ccccc1	0.776	0.481	0.689	0.542	0.313	0.348	0.998	0.699	0.274	0.753	0.947
Compound_701	CNC(=O)OCc1cccc(n1)COC(=O)NC	0.123	0.298	0.217	0.235	0.112	0.251	0.046	0.837	0.525	0.316	0.479
Compound_702	CC(OC(=O)C(=C)C)CCOC(=O)C(=C)C	0.965	0.047	0.102	0.685	0.37	0.037	0.986	0.525	0.862	0.959	0.946
Compound_703	COC1CC(OC2CCC3(C(C2)CCC2C3CCC3(C2(O)CC(C3C2=CC(=O)OC2)OC(=O)C)C)C)OC(C1O)C	0.935	0.99	0.002	0.651	0.959	0.739	0.947	0.969	0.966	0.244	0.993
Compound_704	OC(=O)C1CCC(CC1)C(=O)O	0.486	0.057	0.067	0.176	0.101	0.022	0.399	0.392	0.166	0.104	0.078
Compound_705	COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1	0.523	0.544	0.006	0.056	0.261	0.344	0.066	0.053	0.404	0.005	0.336
Compound_706	CC(N(Sc1nc2c(s1)cccc2)Sc1nc2c(s1)cccc2)(C)C	0.792	0.516	0.671	0.536	0.676	0.717	0.875	0.822	0.859	0.977	0.611
Compound_707	CCC(C(=O)N)(CC=C)CC	0.124	0.064	0.035	0.383	0.123	0.009	0.064	0.867	0.299	0.54	0.458
Compound_708	CC1CC(OC(=O)C(c2ccccc2)O)CC(C1)(C)C	0.28	0.717	0.027	0.336	0.302	0.403	0.394	0.334	0.159	0.391	0.194
Compound_709	CC#CCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	0.28	0.345	0.017	0.36	0.291	0.363	0.0	0.029	0.715	0.009	0.262
Compound_710	O=CC(=CC=CC=C(C=O)C)C	0.95	0.159	0.884	0.658	0.247	0.395	0.998	1.0	0.934	0.998	0.995
Compound_711	NC(=O)NNc1ccccc1	0.597	0.367	0.79	0.328	0.093	0.098	0.883	0.045	0.521	0.071	0.235
Compound_712	CCNP(=S)(OC(=CC(=O)OC(C)C)C)OC	0.342	0.078	0.883	0.449	0.615	0.098	0.017	0.979	0.879	0.945	0.524
Compound_713	CCCCCCCCCCCCSC	0.899	0.064	0.286	0.598	0.298	0.091	0.998	0.957	0.614	0.999	0.865
Compound_714	COC(=O)C(c1ccc(cc1)Br)(C)C	0.734	0.194	0.619	0.733	0.176	0.574	0.956	0.505	0.451	0.828	0.449
Compound_715	OCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C	0.096	0.238	0.243	0.285	0.156	0.406	0.043	0.004	0.051	0.006	0.151
Compound_716	O=C1Cc2c(N1c1c(Cl)cccc1Cl)cccc2	0.406	0.7	0.93	0.573	0.692	0.898	0.999	0.936	0.4	0.754	0.943
Compound_717	Cc1ccc(cc1)c1nc2c([nH]1)cccc2	0.417	0.735	0.98	0.659	0.589	0.822	0.665	0.574	0.511	0.547	0.861
Compound_718	CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC	0.052	0.328	0.018	0.215	0.162	0.156	0.003	0.227	0.279	0.025	0.135
Compound_719	BrCc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1	0.612	0.614	0.937	0.798	0.752	0.795	0.782	0.918	0.511	0.064	0.64
Compound_720	CSC	0.785	0.092	0.407	0.502	0.236	0.07	0.963	0.755	0.821	0.995	0.823
Compound_721	OC1CCC2(C(C1(C)C)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C)C)C	0.981	0.791	0.07	0.548	0.931	0.809	0.302	0.971	0.477	0.995	0.515
Compound_722	CN(c1ccc(cc1)c1nc2c([nH]1)cccc2)C	0.498	0.761	0.993	0.598	0.577	0.819	0.392	0.743	0.612	0.901	0.754
Compound_723	CCCCCCCCC=CCCCCCCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.467	0.049	0.996	0.101	0.094	0.98	0.253
Compound_724	COc1ccc2c3c1OC1C43CCN(C(C2)C4CC=C1OC(=O)C)C	0.72	0.709	0.072	0.235	0.214	0.217	0.084	0.296	0.204	0.433	0.607
Compound_725	OCC(=O)[C@@]1(O)[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)Cl	0.971	1.0	0.555	1.0	0.788	0.879	0.116	0.016	0.174	0.014	0.086
Compound_726	CCCCC(COC(=O)COc1ccc(cc1C)Cl)CC	0.261	0.275	0.789	0.723	0.117	0.144	0.351	0.932	0.554	0.998	0.593
Compound_727	CCCCN(C(=S)SCSC(=S)N(CCCC)CCCC)CCCC	0.199	0.169	0.176	0.562	0.493	0.825	0.975	0.692	0.932	0.999	0.769
Compound_728	CC(CN(C(=O)c1ccccc1)CC(O)C)O	0.03	0.205	0.079	0.522	0.003	0.357	0.047	0.072	0.232	0.002	0.014
Compound_729	CC(CCOCCC(C)C)C	0.76	0.098	0.68	0.523	0.05	0.033	0.966	0.068	0.074	0.994	0.865
Compound_730	OC(=O)CN(C(C(=O)O)COCc1ccccc1)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O	0.026	0.189	0.01	0.039	0.13	0.021	0.005	0.128	0.759	0.189	0.246
Compound_731	O=C1NC(=O)C(N1)(C)C	0.107	0.093	0.184	0.256	0.03	0.035	0.009	0.029	0.307	0.018	0.388
Compound_732	COc1cc(C#N)ccc1C=O	0.683	0.262	0.386	0.648	0.32	0.299	0.314	0.098	0.892	0.168	0.74
Compound_733	ClCCOCOCCCl	0.878	0.067	0.535	0.602	0.049	0.043	0.97	0.988	0.927	0.996	0.895
Compound_734	CCCCCCCCCCCCCCOS(=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_735	CCC(=O)CC	0.905	0.068	0.293	0.505	0.021	0.008	0.976	0.332	0.211	0.981	0.898
Compound_736	Cc1cc2nc3ccc(=[N+](C)C)cc3n(c2cc1O)c1ccccc1	0.534	0.763	0.109	0.554	0.879	0.77	0.549	0.866	0.538	0.495	0.724
Compound_737	CCOC=O	0.781	0.082	0.741	0.522	0.036	0.132	0.95	0.132	0.541	0.919	0.85
Compound_738	O=C1NOCC1(C)C	0.179	0.319	0.586	0.478	0.071	0.063	0.859	0.02	0.377	0.005	0.285
Compound_739	ClC=C(C(=C(Cl)Cl)Cl)Cl	0.942	0.418	0.433	0.539	0.679	0.809	0.998	0.991	0.612	0.999	0.882
Compound_740	NC(=S)NCC=C	0.105	0.1	0.748	0.489	0.052	0.046	0.002	0.986	0.454	0.191	0.54
Compound_741	CCCC(c1ccc(cc1)O)C	0.806	0.125	0.266	0.529	0.648	0.725	0.813	0.931	0.535	0.579	0.291
Compound_742	c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2	0.925	0.591	0.979	0.465	0.674	0.714	0.991	0.752	0.933	0.998	0.714
Compound_743	CCCC(=O)Nc1ccc(c(c1)C(=O)C)O	0.366	0.387	0.747	0.536	0.315	0.528	0.352	0.144	0.54	0.005	0.019
Compound_744	OC(=O)c1cc(=O)c2c([nH]1)c(=O)cc1c2nc2ccccc2o1	0.565	0.661	0.773	0.401	0.262	0.675	0.913	0.514	0.338	0.274	0.763
Compound_745	CCCCN(C)C	0.376	0.214	0.003	0.11	0.012	0.047	0.011	0.157	0.667	0.129	0.309
Compound_746	OC(=O)C(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.068	0.316	0.185	0.301	0.782	0.615	0.992	0.036	0.18	0.733	0.792
Compound_747	Cc1ccc2c(n1)c1nc(C)ccc1cc2	0.767	0.714	0.918	0.55	0.453	0.865	0.983	0.977	0.973	0.631	0.974
Compound_748	CCOC(=O)C(C(=O)OCC)(CC=C)CC=C	0.813	0.062	0.292	0.673	0.564	0.09	0.982	0.995	0.222	0.998	0.95
Compound_749	O1CC1	0.814	0.191	0.314	0.485	0.132	0.094	0.89	0.497	0.755	0.996	0.945
Compound_750	CC(CC(C1(CCC1)c1ccc(cc1)Cl)N(C)C)C	0.3	0.334	0.349	0.244	0.5	0.649	0.525	0.047	0.288	0.024	0.313
Compound_751	CC(OP(=O)(C(P(=O)(OC(C)C)OC(C)C)(Cl)Cl)OC(C)C)C	0.71	0.287	0.59	0.602	0.429	0.264	0.995	0.99	0.594	0.598	0.768
Compound_752	OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1	0.175	0.359	0.044	0.26	0.905	0.555	0.484	0.097	0.398	0.031	0.546
Compound_753	O=C(Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)NC1CCCCC1)NC1CCCCC1	0.786	0.394	0.896	0.676	0.946	0.995	0.929	0.374	0.579	0.5	0.269
Compound_754	Oc1cccc2c1C(=O)c1c(C2)cccc1O	0.84	0.816	0.942	0.771	0.802	0.925	0.982	0.983	0.756	0.848	0.947
Compound_755	OC1CC2CCC(C1)N2	0.019	0.319	0.012	0.277	0.004	0.027	0.0	0.146	0.119	0.497	0.053
Compound_756	CCCCCN	0.085	0.024	0.057	0.403	0.008	0.015	0.001	0.033	0.558	0.868	0.217
Compound_757	NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C	0.186	0.106	0.072	0.327	0.194	0.494	0.326	0.272	0.301	0.002	0.087
Compound_758	CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC	0.771	0.011	0.296	0.715	0.119	0.168	0.988	0.76	0.332	0.969	0.919
Compound_759	O=C(c1ccccc1C(=O)O)c1ccc(cc1)c1ccccc1	0.819	0.493	0.382	0.454	0.841	0.891	0.998	0.412	0.462	0.085	0.578
Compound_760	CC(C(c1ccccc1)(c1ccccc1)O)N1CCCCC1	0.02	0.431	0.276	0.057	0.067	0.178	0.0	0.006	0.209	0.017	0.169
Compound_761	C#CC(C)(C)C	0.918	0.112	0.428	0.457	0.059	0.115	0.978	0.814	0.843	0.999	0.644
Compound_762	CCC1(CO)COCOC1	0.569	0.186	0.085	0.397	0.03	0.046	0.493	0.066	0.391	0.262	0.396
Compound_763	Clc1cc(N)c(c(c1)N(=O)=O)O	0.678	0.138	0.858	0.572	0.62	0.55	0.915	0.997	0.694	0.83	0.934
Compound_764	CCN1CN(CC)CN(C1)CC	0.155	0.323	0.064	0.132	0.032	0.01	0.002	0.512	0.704	0.888	0.063
Compound_765	CCC(CO)(CO)CO	0.701	0.067	0.616	0.518	0.04	0.031	0.889	0.187	0.337	0.284	0.511
Compound_766	OCCNCCO	0.01	0.024	0.007	0.264	0.015	0.003	0.0	0.108	0.05	0.062	0.217
Compound_767	CCN(CC(COC(=O)c1ccc(cc1)N)(C)C)CC	0.028	0.492	0.222	0.256	0.063	0.696	0.025	0.006	0.535	0.054	0.5
Compound_768	OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.042	0.484	0.89	0.207	0.885	0.207	0.706	0.086	0.058	0.033	0.383
Compound_769	O=N(=O)c1c(C)c(N(=O)=O)c(c(c1C(C)(C)C)N(=O)=O)C	0.884	0.419	0.613	0.563	0.188	0.182	0.763	0.973	0.738	0.923	0.908
Compound_770	O=CC(=Cc1ccccc1)C	0.935	0.501	0.717	0.588	0.049	0.302	0.996	0.965	0.914	0.999	0.86
Compound_771	CCOc1ccc(cc1)Cc1cc(ccc1Cl)C1OC(COC(=O)C)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.834	0.659	0.884	0.69	0.983	0.836	0.243	0.866	0.615	0.271	0.9
Compound_772	C=CC(=O)OCCOc1c(Br)cc(cc1Br)Br	0.889	0.297	0.906	0.806	0.676	0.714	0.995	0.974	0.441	0.995	0.436
Compound_773	Clc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)O	0.966	0.715	0.714	0.714	0.917	0.692	0.977	0.943	0.857	0.991	0.987
Compound_774	C=CC(=O)NC(CS(=O)(=O)O)(C)C	0.092	0.18	0.055	0.372	0.116	0.21	0.086	0.947	0.373	0.42	0.354
Compound_775	Clc1ccc(cc1)c1c(Cl)cc(cc1Cl)Cl	0.992	0.396	0.901	0.805	0.901	0.712	0.98	0.477	0.822	0.986	0.648
Compound_776	C1CCC23C(CC1)(C3)CC2	0.993	0.296	0.291	0.514	0.568	0.606	0.89	0.912	0.464	1.0	0.727
Compound_777	CC(C#N)CC	0.929	0.181	0.13	0.481	0.166	0.027	0.8	0.675	0.715	0.984	0.908
Compound_778	Cc1ccc(c(c1)Cl)N	0.679	0.173	0.979	0.62	0.229	0.296	1.0	0.958	0.947	0.985	0.249
Compound_779	O=C1c2ccccc2C(=O)c2c1c(Nc1c(C)c(N)c(c(c1C)S(=O)(=O)O)C)cc(c2N)S(=O)(=O)O	0.505	0.435	0.945	0.499	0.734	0.66	0.964	0.477	0.432	0.45	0.384
Compound_780	Clc1ccc(c(c1)Cl)CON=C(c1ccc(cc1Cl)Cl)Cn1cncc1	0.265	0.877	0.804	0.873	0.912	0.941	0.007	0.583	0.291	0.968	0.792
Compound_781	CC1CCCCN1CCCOC(=O)c1ccc(cc1)OC1CCCCC1	0.126	0.374	0.247	0.221	0.356	0.751	0.029	0.163	0.613	0.226	0.09
Compound_782	CNS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1C	0.564	0.498	0.652	0.558	0.713	0.654	0.273	0.98	0.41	0.959	0.429
Compound_783	CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C	0.39	0.619	0.086	0.663	0.014	0.883	0.917	0.667	0.95	0.023	0.085
Compound_784	CCC1(C(=O)NC(c2ccc(cc2)Cl)C)C(C1(Cl)Cl)C	0.304	0.428	0.587	0.446	0.195	0.694	0.033	0.765	0.381	0.977	0.297
Compound_785	CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC	0.576	0.581	0.986	0.544	0.161	0.155	0.01	0.647	0.318	0.765	0.576
Compound_786	CC1CCCC(C1N)C	0.158	0.18	0.093	0.354	0.023	0.063	0.004	0.02	0.684	0.593	0.034
Compound_787	CC(COCCCOC(C)(C)C)O	0.697	0.113	0.013	0.495	0.109	0.134	0.547	0.17	0.511	0.49	0.551
Compound_788	O=c1c2ccc3c4c2c(c(=O)n1c1ccc(cc1)N=Nc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1ccc(cc1)N=Nc1ccccc1	0.983	0.596	0.991	0.572	0.847	0.907	0.886	0.85	0.445	0.636	0.708
Compound_789	Cc1ccc(cc1)N(c1ccc2c(c1)C(C)(C)c1c2cccc1)c1ccc(cc1)C	0.852	0.727	0.968	0.8	0.986	0.967	0.763	0.959	0.854	0.98	0.931
Compound_790	NC(N1c2ccccc2C(c2c1cccc2)C1c2ccccc2N(c2c1cccc2)C(O)N)O	0.195	0.624	0.475	0.439	0.951	0.849	0.259	0.006	0.179	0.027	0.373
Compound_791	C=Cc1ccc(cc1)C=C	0.966	0.287	0.579	0.576	0.05	0.096	0.999	0.986	0.932	0.997	0.419
Compound_792	CC(C(C#N)(N)C)C	0.232	0.101	0.093	0.421	0.064	0.018	0.185	0.063	0.621	0.887	0.573
Compound_793	ClNS(=O)(=O)O	0.712	0.167	0.275	0.372	0.677	0.269	0.42	0.766	0.23	0.268	0.549
Compound_794	Cc1cc(cc(c1)C)n1c(=O)c2ccc3c4c2c(c1=O)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)c1cc(C)cc(c1)C	0.779	0.754	0.972	0.5	0.816	0.884	0.814	0.771	0.438	0.728	0.829
Compound_795	O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C	0.014	0.366	0.048	0.065	0.033	0.034	0.0	0.014	0.26	0.866	0.918
Compound_796	Brc1c(O)c(Br)c(c(c1Br)Br)Br	0.905	0.134	0.843	0.688	0.657	0.652	0.993	0.969	0.359	0.996	0.929
Compound_797	Oc1cccc2c1cccc2O	0.961	0.826	0.932	0.69	0.604	0.12	0.974	0.963	0.912	0.954	0.975
Compound_798	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)CC[C@]12C)F	0.917	1.0	0.117	0.974	0.82	0.879	0.016	0.024	0.062	0.018	0.028
Compound_799	OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1NC=NC[C@H]2O	0.505	0.527	0.078	0.397	0.306	0.35	0.003	0.138	0.016	0.279	0.561
Compound_800	COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C	0.388	0.352	0.34	0.304	0.115	0.595	0.014	0.014	0.407	0.12	0.235
Compound_801	OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Cl)nc2N	0.912	0.643	0.026	0.533	0.113	0.198	0.005	0.761	0.307	0.01	0.753
Compound_802	C=CC(Cc1ccccc1)(C#N)C	0.779	0.237	0.735	0.616	0.418	0.144	0.801	0.959	0.743	0.779	0.693
Compound_803	O1CCN(CC1)SSc1nc2c(s1)cccc2	0.627	0.454	0.941	0.492	0.551	0.685	0.053	0.106	0.729	0.848	0.551
Compound_804	COc1ccc(cc1)NC(=O)CC(=O)C	0.407	0.333	0.957	0.626	0.2	0.511	0.142	0.04	0.485	0.021	0.057
Compound_805	CC(Cc1ccc(cc1)C(COC(=C)[C@H](c1ccccc1)OC(=O)C)C)C	0.559	0.556	0.17	0.465	0.5	0.492	0.811	0.787	0.796	0.904	0.558
Compound_806	Cc1ccc(cc1)NC(=O)Nc1ccc(c(c1)NC(=O)Nc1ccc(cc1)C)C	0.54	0.74	0.939	0.588	0.954	0.956	0.862	0.261	0.752	0.504	0.49
Compound_807	CC(=O)On1ccccc1=O	0.23	0.35	0.079	0.461	0.543	0.15	0.469	0.234	0.91	0.108	0.685
Compound_808	CC1C(C)(C)C2C(C1(C)C)c1ncncc1CC2	0.55	0.561	0.736	0.477	0.236	0.583	0.028	0.676	0.464	0.57	0.275
Compound_809	CNCCOC(c1ccccc1)c1ccccc1	0.025	0.375	0.033	0.266	0.086	0.138	0.011	0.001	0.284	0.005	0.016
Compound_810	OCCN(C(C(Cl)O)Cl)c1nc(Nc2ccc(cc2)C=Cc2cc[n+](cc2)C)nc(n1)Nc1ccc(cc1)C=Cc1cc[n+](cc1)C	0.776	0.456	0.254	0.532	0.758	0.662	0.97	0.72	0.511	0.036	0.661
Compound_811	CC(CC)COC(=O)C=C	0.981	0.022	0.125	0.736	0.687	0.283	0.999	0.997	0.931	0.995	0.882
Compound_812	CC(N(CP(=O)(O)O)CP(=O)(O)O)CN(CP(=O)(O)O)CP(=O)(O)O	0.162	0.164	0.008	0.064	0.169	0.188	0.007	0.004	0.293	0.057	0.377
Compound_813	O=C[C@@]12CC[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1CC[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.924	0.97	0.003	0.756	0.955	0.939	0.852	0.756	0.867	0.068	0.845
Compound_814	CCCCCCCCCCCCCCCC=CC=O	0.997	0.052	0.268	0.599	0.484	0.833	1.0	0.956	1.007	1.0	0.87
Compound_815	O=C1OCCCC2=C1C(C)(C)C(C2(C)C)C	0.929	0.543	0.317	0.651	0.696	0.212	0.746	0.678	0.591	0.987	0.56
Compound_816	COc1ccc(cc1OCCCN1CCN(CC1)C)N(=O)=O	0.139	0.566	0.136	0.355	0.53	0.533	0.021	0.635	0.472	0.135	0.639
Compound_817	CCCC=CCCCCCCCO	0.978	0.184	0.123	0.558	0.28	0.077	0.951	0.632	0.15	0.967	0.608
Compound_818	Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O	0.804	0.437	0.938	0.546	0.904	0.602	0.892	0.895	0.475	0.908	0.306
Compound_819	ClC1=C(Cl)C(=O)C(=O)C(=C1Cl)Cl	0.858	0.384	0.94	0.653	0.764	0.655	0.987	0.999	0.55	0.991	0.821
Compound_820	CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CC(=O)O)C	0.033	0.04	0.001	0.187	0.161	0.034	0.003	0.013	0.38	0.007	0.023
Compound_821	FC(Cl)(Cl)Cl	0.935	0.068	0.453	0.591	0.761	0.098	0.839	0.979	0.167	0.999	0.931
Compound_822	CCCCC(CNS(=O)(=O)c1ccc(cc1)NN=C1C(=O)N(CCCC)C(=O)C(=C1C)C#N)CC	0.437	0.458	0.006	0.258	0.472	0.533	0.585	0.692	0.407	0.292	0.288
Compound_823	O=C(OC(C)(C)C)NC(C(C)(C)C)C(=O)O	0.017	0.091	0.006	0.167	0.156	0.023	0.004	0.373	0.257	0.025	0.262
Compound_824	CCCCCCCCNCCCCCCCC	0.289	0.065	0.037	0.451	0.036	0.343	0.412	0.146	0.902	0.937	0.214
Compound_825	O=N(=O)c1cc2c(=O)nc[nH]c2cc1Cl	0.843	0.557	0.734	0.441	0.5	0.374	0.832	0.96	0.511	0.789	0.513
Compound_826	COC(=O)C1CCC(CC1)C(=O)OC	0.759	0.041	0.229	0.482	0.059	0.011	0.96	0.977	0.277	0.811	0.382
Compound_827	COCCc1ccccc1	0.467	0.156	0.745	0.579	0.025	0.08	0.998	0.282	0.85	0.489	0.373
Compound_828	Nc1ccc(cc1)N(=O)=O	0.977	0.155	0.972	0.604	0.058	0.593	0.981	0.992	0.69	0.981	0.702
Compound_829	FN(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1	0.493	0.555	0.668	0.663	0.278	0.799	0.893	0.864	0.587	0.837	0.599
Compound_830	CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1C#N)C(=O)OCC)C(O)(C)C	0.618	0.676	0.684	0.649	0.584	0.588	0.415	0.798	0.47	0.274	0.593
Compound_831	Nc1ccc(cc1)S(=O)(=O)N(c1noc(c1)C)C(=O)C	0.104	0.223	0.6	0.526	0.203	0.453	0.024	0.131	0.149	0.002	0.087
Compound_832	CCC12COP(=O)(OC1)OC2	0.8	0.418	0.319	0.468	0.046	0.048	0.94	0.426	0.496	0.946	0.443
Compound_833	NCC(=O)N=C1C=CC=C(C1C)c1cccc(c1)C1(C=CC(=NC(=O)CN)C(=C1C)NC(=O)O)NC(=O)O	0.637	0.562	0.027	0.394	0.204	0.843	0.063	0.291	0.434	0.016	0.542
Compound_834	O=C(c1ccccc1O)OCc1ccccc1	0.564	0.68	0.597	0.629	0.646	0.512	0.979	0.193	0.205	0.23	0.657
Compound_835	CCCCCCCCCCCCCCCCCC[N+](C)(C)C	0.94	0.689	0.042	0.664	0.056	0.823	0.992	0.767	0.623	0.082	0.238
Compound_836	COc1ccc(cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N)Cl	0.061	0.401	0.019	0.127	0.224	0.659	0.609	0.006	0.225	0.016	0.197
Compound_837	CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C	0.986	0.056	0.434	0.74	0.634	0.144	0.999	0.892	0.347	0.998	0.937
Compound_838	O=N(=O)c1cccc(c1C)N	0.884	0.158	0.929	0.554	0.062	0.123	0.89	0.996	0.636	0.979	0.756
Compound_839	Brc1cc(cc(c1O)Br)S(=O)(=O)c1cc(Br)c(c(c1)Br)O	0.832	0.551	0.417	0.698	0.621	0.66	0.914	0.891	0.522	0.996	0.74
Compound_840	CC(C=NCC1(C)CC(N=CC(C)C)CC(C1)(C)C)C	0.676	0.289	0.198	0.504	0.089	0.614	0.831	0.22	0.291	0.217	0.308
Compound_841	O=N(=O)c1cc(Br)c(c(c1)Br)O	0.945	0.14	0.693	0.646	0.622	0.653	0.999	0.994	0.553	0.991	0.933
Compound_842	CCOC(=O)[N-]C1[O+]NN(C1)N1CCOCC1	0.294	0.379	0.069	0.583	0.083	0.146	0.002	0.174	0.233	0.551	0.457
Compound_843	CSC(=O)c1c(nc(c(c1CC(C)C)C(=O)SC)C(F)(F)F)C(F)F	0.486	0.68	0.821	0.56	0.621	0.367	0.785	0.965	0.357	0.096	0.584
Compound_844	CC(C=O)CC	0.817	0.093	0.214	0.471	0.024	0.098	0.989	0.246	0.741	0.993	0.87
Compound_845	COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.657	0.675	0.103	0.65	0.935	0.745	0.158	0.316	0.499	0.035	0.828
Compound_846	C=COCCCCOC=C	0.814	0.155	0.137	0.47	0.196	0.182	1.0	0.859	0.669	0.998	0.923
Compound_847	O=CN(C)C	0.615	0.09	0.336	0.489	0.109	0.273	0.066	0.287	0.742	0.729	0.342
Compound_848	FCSC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1(C2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F	0.235	0.99	0.262	0.997	0.837	0.898	0.177	0.495	0.345	0.647	0.231
Compound_849	C=CC(=O)Oc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OC(=O)C=C)(C)C	0.893	0.48	0.96	0.77	0.688	0.705	0.999	0.982	0.539	0.986	0.742
Compound_850	Oc1c(cc(cc1C(c1ccccc1)(C)C)C(CC(C)(C)C)(C)C)n1nc2c(n1)cccc2	0.653	0.768	0.646	0.628	0.422	0.91	0.658	0.31	0.699	0.912	0.734
Compound_851	C=CC(CCC=C(C)C)(O)C	0.773	0.12	0.104	0.56	0.298	0.032	0.068	0.973	0.472	0.459	0.881
Compound_852	OC(=O)Cc1c(Cl)n(c2c1cccc2)c1ccccc1	0.267	0.354	0.137	0.397	0.796	0.801	1.0	0.361	0.231	0.094	0.717
Compound_853	O=C=Nc1ccc(c(c1)N=C=O)C	0.69	0.448	0.929	0.644	0.28	0.207	0.992	0.632	0.839	0.757	0.419
Compound_854	CC1=CC2C(C1)C1CC2C(=C1)C	0.987	0.371	0.4	0.472	0.655	0.112	0.359	0.914	0.418	0.998	0.776
Compound_855	OC(=O)CCCCCCCCCc1ccccc1	0.605	0.075	0.313	0.161	0.167	0.068	0.986	0.012	0.052	0.201	0.015
Compound_856	C=CCCc1ccccc1	0.688	0.242	0.586	0.661	0.067	0.111	0.999	0.944	0.302	0.992	0.436
Compound_857	O=C1CCCCO1	0.706	0.155	0.256	0.706	0.05	0.036	0.977	0.81	0.314	0.913	0.307
Compound_858	CCc1cc(C)cc(c1Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1c(CC)cc(cc1CC)C)CC	0.516	0.786	0.905	0.586	0.951	0.685	0.998	0.942	0.858	0.972	0.98
Compound_859	N#Cc1ccc(cc1Cl)c1ccn[nH]1	0.7	0.568	0.927	0.627	0.806	0.64	0.405	0.394	0.771	0.178	0.85
Compound_860	CCC(=O)O[C@@]1([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)C(=O)COC(=O)CC	0.967	1.0	0.538	1.0	0.648	0.934	0.078	0.063	0.353	0.353	0.057
Compound_861	COc1ccc(cc1NC(=O)CC(=O)C)S(=O)(=O)O	0.298	0.408	0.911	0.371	0.384	0.589	0.023	0.03	0.413	0.026	0.355
Compound_862	CN1[C@@H]2CC[C@@H]1CC(C2)OC(c1ccccc1)c1ccccc1	0.053	0.532	0.021	0.09	0.06	0.409	0.001	0.329	0.061	0.056	0.087
Compound_863	CC(=O)OC1=CCC2C1(C)CCC1C2CCC2C1(C)CC=CC2	0.951	0.817	0.172	0.639	0.965	0.499	0.522	0.986	0.753	1.0	0.586
Compound_864	OC[C@H]1O[C@H]([S-])[C@@H]([C@H]([C@@H]1O)O)O	0.721	0.338	0.056	0.482	0.089	0.266	0.021	0.446	0.625	0.082	0.301
Compound_865	CN(S(=O)(=O)Cl)C	0.57	0.235	0.313	0.586	0.265	0.154	0.536	0.997	0.314	0.994	0.679
Compound_866	Cc1ccc(cc1)C(C)C	0.758	0.106	0.727	0.535	0.058	0.04	0.901	0.426	0.784	0.996	0.207
Compound_867	O=c1[nH]c(=O)[nH]c(n1)C(=O)O	0.288	0.191	0.115	0.404	0.124	0.024	0.001	0.882	0.275	0.126	0.151
Compound_868	Brc1cc(Br)c2c3c1ccc1c3c(c(c2O)O)c(cc1Br)Br	0.984	0.613	0.968	0.615	0.648	0.64	0.735	0.959	0.757	0.999	0.997
Compound_869	COC(=O)c1ccc(cc1N(=O)=O)C(=O)O	0.69	0.237	0.626	0.386	0.228	0.332	0.958	0.769	0.463	0.815	0.804
Compound_870	CCCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC	0.897	0.379	0.052	0.727	0.852	0.098	0.977	0.989	0.679	0.325	0.82
Compound_871	Clc1ccc(c(c1c1c(Cl)ccc(c1Cl)Cl)Cl)Cl	0.987	0.389	0.983	0.741	0.736	0.787	0.993	0.906	0.963	0.995	0.816
Compound_872	C=CCC1(C(C)C)C(=O)NC(=O)NC1=O	0.185	0.311	0.174	0.439	0.175	0.046	0.004	0.961	0.274	0.056	0.162
Compound_873	Clc1ncccc1C(F)(F)F	0.589	0.371	0.6	0.682	0.12	0.166	0.926	0.525	0.754	0.983	0.425
Compound_874	CCC(c1cc(ccc1OCCCNC(=O)c1cc(cc(c1)S(=O)O)C(=O)NCCCOc1ccc(cc1C(CC)(C)C)C(CC)(C)C)C(CC)(C)C)(C)C	0.267	0.488	0.019	0.34	0.443	0.8	0.751	0.704	0.587	0.12	0.361
Compound_875	CC(CCCC(CCCC(C)C)C)CCCC(=CCC1=C(C)C(=O)c2c(C1=O)cccc2)C	0.183	0.632	0.987	0.462	0.103	0.89	0.07	0.183	0.353	0.999	0.957
Compound_876	Cc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)O)C	0.481	0.422	0.833	0.4	0.739	0.66	0.888	0.658	0.4	0.013	0.392
Compound_877	COc1cc(C=C)ccc1O	0.865	0.32	0.448	0.694	0.415	0.066	0.833	0.798	0.612	0.904	0.304
Compound_878	CCC[N+](CCC)(CCC)CCC	0.199	0.759	0.293	0.586	0.032	0.054	0.01	0.227	0.685	0.603	0.266
Compound_879	CCOP(=S)(SCCl)OCC	0.849	0.171	0.954	0.653	0.17	0.045	0.997	0.983	0.696	0.998	0.87
Compound_880	BrC1CCC=CCCC(C(CCC1Br)Br)Br	0.981	0.221	0.383	0.664	0.557	0.463	0.998	0.949	0.895	1.0	0.536
Compound_881	O=N(=O)c1ccccc1S(=O)(=O)O	0.862	0.28	0.886	0.409	0.637	0.439	0.932	0.957	0.397	0.256	0.328
Compound_882	CC(C(=O)NCC(=O)O)S	0.002	0.084	0.001	0.179	0.093	0.018	0.001	0.026	0.193	0.011	0.08
Compound_883	CCOP(c1ccccc1)OCC	0.913	0.234	0.908	0.563	0.313	0.027	1.0	0.173	0.492	0.999	0.667
Compound_884	CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC	0.091	0.441	0.067	0.202	0.22	0.135	0.303	0.19	0.058	0.092	0.197
Compound_885	CCCCCCCCC=CCCCCCCCCNCCCN	0.529	0.091	0.018	0.463	0.094	0.26	0.258	0.076	0.691	0.81	0.226
Compound_886	COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)OC	0.814	0.331	0.946	0.633	0.068	0.16	0.993	0.266	0.544	0.881	0.709
Compound_887	COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O	0.65	0.224	0.659	0.417	0.085	0.141	0.981	0.582	0.517	0.823	0.666
Compound_888	O=CNC[C@@H]([C@H]([C@@H](C(=O)CO)O)O)O	0.012	0.059	0.018	0.294	0.019	0.164	0.002	0.098	0.103	0.051	0.075
Compound_889	NCCNCc1ccc(nc1)Cl	0.054	0.252	0.022	0.298	0.025	0.131	0.001	0.035	0.044	0.009	0.03
Compound_890	Cc1ccc2c(c1C)cccc2	0.959	0.403	0.956	0.633	0.109	0.095	0.968	0.984	0.945	0.998	0.945
Compound_891	BrC=C(c1ccc(cc1Cl)Cl)OP(=O)(OC)OC	0.942	0.918	0.851	0.853	0.685	0.374	0.974	0.992	0.589	0.99	0.855
Compound_892	CCSCC	0.692	0.164	0.659	0.506	0.107	0.017	0.967	0.08	0.406	0.999	0.855
Compound_893	CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C	0.931	0.16	0.57	0.626	0.26	0.03	0.266	0.297	0.597	0.999	0.485
Compound_894	O=Cc1ccccn1	0.258	0.151	0.457	0.505	0.052	0.235	0.042	0.973	0.822	0.847	0.597
Compound_895	Ic1ccc(c(c1)C(=O)O)Cl	0.705	0.136	0.378	0.462	0.598	0.313	0.981	0.264	0.511	0.915	0.423
Compound_896	Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2	0.876	0.798	0.88	0.644	0.98	0.987	0.924	0.343	0.491	0.08	0.968
Compound_897	ON=C(c1cccc2c1cccc2)C	0.751	0.595	0.956	0.602	0.162	0.563	0.965	0.89	0.49	0.996	0.952
Compound_898	OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C=C(C2=CC(=O)C=C[C@]12C)Cl	0.892	1.0	0.023	0.958	0.844	0.959	0.183	0.039	0.089	0.014	0.056
Compound_899	OC1C=C2CC(CCC2(C2C1C1C3CC3C(=O)C1(CC2)C)C)OC(=O)C(C)(C)C	0.911	0.99	0.015	0.726	0.964	0.906	0.026	0.876	0.294	0.966	0.106
Compound_900	CC(c1ccccc1)O	0.259	0.125	0.19	0.356	0.044	0.064	0.77	0.082	0.156	0.693	0.145
Compound_901	OCCN1CCCC1=O	0.038	0.228	0.176	0.505	0.022	0.064	0.017	0.056	0.087	0.017	0.075
Compound_902	CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC	0.613	0.41	0.939	0.55	0.38	0.898	0.103	0.424	0.363	0.577	0.663
Compound_903	CCN(c1cc(C)nc2n1ncn2)CC	0.053	0.633	0.039	0.339	0.117	0.547	0.001	0.023	0.165	0.753	0.374
Compound_904	COC(OC)(C)C	0.825	0.054	0.294	0.523	0.035	0.02	0.997	0.616	0.789	0.96	0.814
Compound_905	Clc1ccc(c(c1Cl)Cl)c1ccccc1	0.993	0.389	0.984	0.768	0.643	0.369	0.991	0.443	0.964	0.995	0.816
Compound_906	COC(=O)c1ccccc1S(=O)(=O)N	0.284	0.3	0.03	0.199	0.059	0.41	0.047	0.0	0.189	0.013	0.145
Compound_907	Oc1ccc(cc1)C(c1ccccc1)c1ccccc1	0.882	0.743	0.689	0.655	0.993	0.996	0.985	0.743	0.445	0.924	0.841
Compound_908	O=C(C1CC1)Nc1ccc(cc1C(=O)c1ccccc1)Cl	0.639	0.66	0.935	0.635	0.709	0.861	0.997	0.871	0.57	0.806	0.936
Compound_909	CC(c1cccc(c1N)C(C)C)C	0.435	0.229	0.923	0.567	0.104	0.1	0.415	0.196	0.705	0.933	0.5
Compound_910	Cc1sc2c(c1)C(=Nc1c(N2)cccc1)N1CCNCC1	0.279	0.491	0.512	0.443	0.313	0.573	0.008	0.15	0.56	0.014	0.027
Compound_911	CCCCCCCCCCCCCCC1OC1	0.965	0.223	0.112	0.6	0.316	0.255	1.0	0.944	0.943	1.0	0.958
Compound_912	c1ccc(cc1)c1nc2c([nH]1)cccc2	0.596	0.74	0.975	0.703	0.605	0.83	0.637	0.35	0.618	0.694	0.898
Compound_913	CCCC(C)C	0.909	0.078	0.788	0.538	0.029	0.006	0.976	0.66	0.471	0.998	0.774
Compound_914	O=C1CCC(=O)N1OC(=O)c1ccc2c(n1)cccc2	0.643	0.542	0.99	0.52	0.687	0.511	0.434	0.807	0.511	0.087	0.733
Compound_915	CCC(=O)OC1C=CC2C1C(C)CCC2C	0.981	0.396	0.338	0.584	0.777	0.059	0.531	0.991	0.23	0.993	0.53
Compound_916	C=CC(=O)OCC[N+](C)(C)C	0.268	0.125	0.142	0.744	0.66	0.098	0.097	0.997	0.278	0.014	0.22
Compound_917	CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	0.412	0.575	0.747	0.582	0.684	0.528	0.562	0.907	0.823	0.957	0.702
Compound_918	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC	0.298	0.644	0.056	0.713	0.053	0.898	0.255	0.848	0.914	0.054	0.641
Compound_919	ClSSCl	0.945	0.161	0.631	0.561	0.775	0.106	0.912	0.845	0.967	1.0	0.703
Compound_920	O=C(c1ccccc1Nc1ccnc2c1ccc(c2)C(F)(F)F)OCCN1CCN(CC1)c1cccc(c1)C(F)(F)F	0.101	0.695	0.915	0.254	0.922	0.505	0.883	0.847	0.438	0.126	0.786
Compound_921	CN[C@H](CC1CCCCC1)C	0.312	0.075	0.062	0.269	0.025	0.112	0.001	0.092	0.708	0.133	0.027
Compound_922	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)Cl	0.933	0.39	0.984	0.464	0.623	0.636	0.889	0.96	0.438	0.839	0.375
Compound_923	BrCCCCCCCCCCCCCCc1nccc2c1cccc2	0.49	0.409	0.643	0.631	0.234	0.738	0.01	0.781	0.768	0.884	0.88
Compound_924	Clc1ccc(cc1)C(C(=O)C1C(=O)c2c(C1=O)cccc2)c1ccccc1	0.601	0.682	0.731	0.468	0.963	0.99	0.969	0.216	0.497	0.489	0.999
Compound_925	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(S(=O)(=O)O)(F)F)(F)F)F)(F)F)F	0.381	0.211	0.026	0.549	0.229	0.299	0.645	0.985	0.355	0.134	0.258
Compound_926	CCC(c1ccccc1)(C(=O)OC)C#N	0.588	0.252	0.346	0.662	0.339	0.06	0.841	0.951	0.501	0.006	0.71
Compound_927	CCCN(C(=O)SCC)CCC	0.103	0.094	0.356	0.655	0.082	0.095	0.107	0.435	0.173	0.995	0.581
Compound_928	Clc1cc(N(=O)=O)c(c(c1C)Cl)O	0.841	0.159	0.949	0.686	0.745	0.519	0.997	0.988	0.634	0.989	0.943
Compound_929	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F	0.425	0.382	0.175	0.247	0.312	0.682	0.276	0.867	0.399	0.022	0.426
Compound_930	CCCCCCCCCC(=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_931	CCc1ccc(cc1)N	0.764	0.19	0.889	0.573	0.18	0.669	0.998	0.661	0.925	0.96	0.428
Compound_932	OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.985	1.0	0.022	0.773	0.655	0.915	0.012	0.066	0.019	0.078	0.062
Compound_933	O=c1cn[nH]c(=O)[nH]1	0.3	0.218	0.335	0.42	0.059	0.085	0.017	0.01	0.576	0.107	0.478
Compound_934	CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)O	0.124	0.813	0.231	0.434	0.575	0.588	0.825	0.963	0.131	0.074	0.893
Compound_935	CCC1(COC(=O)C=C)COCOC1	0.93	0.207	0.197	0.566	0.638	0.48	0.996	0.998	0.923	0.992	0.775
Compound_936	CCCCCCC=CC#CCCCCCCCC(=O)O	0.865	0.088	0.142	0.103	0.475	0.734	0.989	0.126	0.169	0.98	0.291
Compound_937	CN1c2ccccc2C(C1=C)(C)C	0.491	0.502	0.118	0.523	0.176	0.092	0.737	0.711	0.845	0.724	0.547
Compound_938	COCCOC(=O)CC(=O)C	0.833	0.025	0.315	0.651	0.112	0.083	0.995	0.851	0.528	0.854	0.789
Compound_939	COC(=O)C(C(N)(C)C)(C)C	0.087	0.028	0.081	0.423	0.026	0.008	0.032	0.092	0.399	0.021	0.36
Compound_940	O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.878	0.978	0.018	0.72	0.898	0.831	0.006	0.919	0.058	0.97	0.349
Compound_941	CCCCCCCCCCCC(=O)N(CC(=O)OC(C)C)C	0.457	0.105	0.132	0.521	0.077	0.161	0.894	0.536	0.394	0.13	0.211
Compound_942	O=S1(=O)CCN(CN1)CN1CCS(=O)(=O)NC1	0.057	0.356	0.231	0.229	0.059	0.084	0.0	0.086	0.353	0.063	0.271
Compound_943	CCOc1ccccc1OCC	0.567	0.096	0.829	0.571	0.224	0.069	0.942	0.254	0.387	0.988	0.647
Compound_944	Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl	0.843	0.251	0.843	0.688	0.693	0.771	0.999	0.969	0.828	1.0	0.483
Compound_945	Brc1ccc(c(c1)Br)N	0.955	0.241	0.943	0.658	0.567	0.652	0.994	0.929	0.684	0.993	0.251
Compound_946	CC(CCO)N	0.035	0.118	0.032	0.325	0.008	0.013	0.002	0.005	0.286	0.001	0.115
Compound_947	c1ccc(cc1)CNc1ncnc2c1[nH]cn2	0.324	0.677	0.908	0.37	0.396	0.898	0.008	0.098	0.599	0.072	0.583
Compound_948	O=Cc1cc(OC)c(c(c1)N(=O)=O)O	0.773	0.219	0.438	0.689	0.67	0.558	0.951	0.933	0.537	0.885	0.898
Compound_949	OC(CN1C(=O)c2c(C1=O)cccc2)CNc1ccc(cc1)N1CCOCC1=O	0.518	0.697	0.126	0.357	0.151	0.577	0.011	0.022	0.327	0.13	0.523
Compound_950	Brc1cc(Br)c(c(c1)Br)N	0.948	0.241	0.933	0.615	0.558	0.652	0.993	0.545	0.662	0.993	0.251
Compound_951	CCC(C(=O)NC(=O)NC(=O)C)(CC)Br	0.185	0.075	0.071	0.357	0.631	0.218	0.034	0.72	0.444	0.827	0.412
Compound_952	CCOC(=O)n1ccn(c1=S)C	0.053	0.272	0.081	0.343	0.012	0.401	0.04	0.014	0.374	0.844	0.869
Compound_953	CCCCCCCCCCCC=O	0.972	0.039	0.268	0.536	0.06	0.333	0.998	0.966	0.849	1.0	0.857
Compound_954	CC(CN(S(=O)(=O)c1ccc(cc1)N(=O)=O)C[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)C	0.451	0.555	0.04	0.34	0.24	0.553	0.284	0.435	0.372	0.696	0.5
Compound_955	O=C1OC(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)C(=O)OC1=O	0.826	0.509	0.995	0.576	0.886	0.929	0.995	0.093	0.487	0.097	0.888
Compound_956	N#Cc1ccc(cc1)Nc1nccc(n1)Cl	0.818	0.765	0.953	0.621	0.5	0.642	0.032	0.663	0.829	0.773	0.553
Compound_957	O=C(c1ccc(cc1)N(=O)=O)N1CCCCC1	0.447	0.355	0.521	0.567	0.054	0.437	0.03	0.829	0.57	0.707	0.111
Compound_958	O=C1c2c(cccc2C(=O)c2c1cccc2)Nc1nc(nc(n1)c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O	0.718	0.589	0.998	0.83	0.926	0.84	0.817	0.989	0.738	0.059	0.955
Compound_959	CCCCCCCCCCCCOCCOCCOS(=O)(=O)O	0.939	0.109	0.04	0.344	0.293	0.493	0.99	0.571	0.096	0.949	0.343
Compound_960	OC(=O)CCCCCCCCCCCCCCC(=O)N[C@H](C(=O)O)CCC(=O)ON1C(=O)CCC1=O	0.125	0.312	0.032	0.217	0.319	0.198	0.058	0.066	0.388	0.525	0.567
Compound_961	Clc1ncc(cc1Cl)C(F)(F)F	0.695	0.371	0.913	0.761	0.148	0.193	0.932	0.747	0.921	0.983	0.425
Compound_962	CCOC(=O)CC(S)C	0.415	0.105	0.135	0.672	0.104	0.16	0.999	0.395	0.292	0.961	0.754
Compound_963	CC(OC(=O)Cl)CC	0.778	0.084	0.223	0.656	0.086	0.056	0.997	0.962	0.671	0.95	0.863
Compound_964	CCC(CCCC(CCCC(C)C)C)C	0.993	0.074	0.763	0.449	0.102	0.072	0.989	0.798	0.388	1.0	0.851
Compound_965	Clc1cccc2c1cccc2	0.98	0.571	0.976	0.61	0.557	0.157	0.994	0.906	0.979	0.999	0.918
Compound_966	OCCC1CCC2CC1C2(C)C	0.928	0.393	0.082	0.517	0.524	0.599	0.474	0.199	0.22	0.577	0.582
Compound_967	NC(=O)c1ccc(c(c1)N)Cl	0.785	0.396	0.205	0.317	0.092	0.158	0.988	0.003	0.68	0.833	0.787
Compound_968	COC(=O)c1cccc(c1)C(F)(F)F	0.828	0.176	0.85	0.661	0.093	0.109	0.948	0.801	0.686	0.746	0.387
Compound_969	CN1C2CCC1C(=CC2)C(=O)O	0.395	0.407	0.008	0.083	0.19	0.179	0.013	0.762	0.072	0.101	0.089
Compound_970	OC1CCC2=C(C1)C(C)(C)C(C2(C)C)C	0.94	0.659	0.113	0.589	0.476	0.136	0.038	0.835	0.363	0.967	0.635
Compound_971	CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C	0.135	0.353	0.35	0.344	0.168	0.439	0.059	0.02	0.215	0.05	0.179
Compound_972	O=C(Nc1ccc(c(c1)F)Br)OCc1ccccc1	0.896	0.527	0.995	0.781	0.38	0.654	0.729	0.982	0.614	0.736	0.478
Compound_973	CCCCOCC1CO1	0.889	0.208	0.138	0.676	0.2	0.077	0.938	0.641	0.848	0.998	0.895
Compound_974	CCOC(=O)C(C(=O)O)Cc1cccs1	0.587	0.304	0.167	0.258	0.313	0.569	0.84	0.434	0.372	0.138	0.441
Compound_975	CCc1c(Br)cc(c(c1Br)Br)Br	0.891	0.15	0.76	0.648	0.599	0.32	0.998	0.993	0.576	0.999	0.313
Compound_976	CC(CSCCCCCCCCC(C)(C)C)O	0.769	0.128	0.037	0.553	0.424	0.278	0.888	0.754	0.374	0.761	0.723
Compound_977	CN(CCCCCCN(C)C)C	0.719	0.269	0.003	0.094	0.026	0.155	0.017	0.099	0.549	0.072	0.389
Compound_978	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O	0.783	0.509	0.223	0.659	0.955	0.693	0.172	0.056	0.396	0.039	0.739
Compound_979	Clc1cc(cc(c1Cl)Cl)c1cc(Cl)c(c(c1)Cl)Cl	0.989	0.389	0.99	0.762	0.599	0.638	0.997	0.899	0.98	0.995	0.816
Compound_980	CCOC(=O)C(c1ccccc1)(c1ccccc1)Cl	0.56	0.654	0.841	0.687	0.517	0.392	0.999	0.95	0.481	0.906	0.981
Compound_981	O=c1[nH]c(=O)c2c(n1C)nc[nH]2	0.094	0.257	0.034	0.231	0.122	0.727	0.0	0.062	0.451	0.003	0.114
Compound_982	CC(OC(=O)C)C	0.785	0.069	0.282	0.515	0.064	0.019	0.992	0.684	0.96	0.942	0.78
Compound_983	Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O	0.952	0.338	0.199	0.879	0.845	0.742	0.935	0.854	0.511	0.967	0.918
Compound_984	Cc1c(C)cc(cc1C)C(C)(C)C	0.687	0.103	0.723	0.553	0.066	0.039	0.704	0.311	1.012	0.998	0.393
Compound_985	CNC(Cc1ccccc1)(C)C	0.028	0.106	0.107	0.297	0.004	0.096	0.005	0.015	0.27	0.053	0.032
Compound_986	Brc1cc(Cc2cc(Br)c(c(c2)Br)O)cc(c1O)Br	0.916	0.606	0.668	0.65	0.679	0.71	0.99	0.996	0.503	0.996	0.985
Compound_987	Clc1ccc(cc1)OC(C(=O)OCCOC(=O)c1cccnc1)(C)C	0.093	0.672	0.453	0.538	0.069	0.191	0.064	0.036	0.161	0.051	0.556
Compound_988	CCC(c1cc(cc(c1OC(=O)OC(C)C)N(=O)=O)N(=O)=O)C	0.675	0.28	0.39	0.67	0.905	0.866	0.991	0.934	0.708	0.962	0.556
Compound_989	CCC1(C)Nc2cccc3c2c(N1)ccc3	0.58	0.665	0.934	0.59	0.5	0.572	0.125	0.957	0.531	0.028	0.312
Compound_990	OC(=O)CSCC(=O)O	0.37	0.061	0.047	0.214	0.171	0.019	0.061	0.658	0.482	0.045	0.563
Compound_991	CCOP(c1ccccc1)c1ccccc1	0.661	0.512	0.908	0.551	0.68	0.091	0.999	0.179	0.492	0.998	0.894
Compound_992	CC(=CCN1C(=O)CCC1=O)CCC=C(C)C	0.185	0.603	0.499	0.549	0.078	0.046	0.044	0.686	0.511	0.99	0.708
Compound_993	CC(CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C)C	0.961	0.035	0.569	0.533	0.142	0.052	0.999	0.575	0.157	0.996	0.618
Compound_994	CN(CCN(c1ccccn1)Cc1cscc1)C	0.066	0.649	0.007	0.107	0.075	0.613	0.066	0.001	0.596	0.005	0.066
Compound_995	CC(=O)Nc1cc(N)ccc1N=Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O	0.657	0.575	0.906	0.437	0.671	0.697	0.691	0.829	0.476	0.072	0.159
Compound_996	CC(=O)OC1CCC(CC1)C(C)(C)C	0.935	0.233	0.055	0.437	0.337	0.117	0.725	0.639	0.773	0.989	0.301
Compound_997	Clc1cc(Cl)c(cc1c1ccc(c(c1Cl)Cl)Cl)Cl	0.99	0.389	0.977	0.797	0.809	0.779	0.991	0.927	0.914	0.995	0.816
Compound_998	Cc1c(cccc1N(=O)=O)N(=O)=O	0.966	0.262	0.766	0.587	0.072	0.101	0.994	0.993	0.662	0.999	0.887
Compound_999	OC1C(O)C(=C(C(=C1Cl)Cl)Cl)Cl	0.669	0.424	0.124	0.581	0.398	0.606	0.888	0.696	0.707	0.944	0.738
Compound_1000	O=C1C(CC2C1(C)CCC1C2CCC2C1(C)CC1OC1C2)N1CCCC1	0.668	0.66	0.071	0.241	0.732	0.788	0.004	0.045	0.086	0.015	0.696