Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Fc1ccc(c(c1)c1ncoc1c1ccc2n(c1)c(nn2)C(C)C)F	0.332	0.621	0.628	0.753	0.628	0.898	0.974	0.423	0.564	0.047	0.277
Compound_2	Fc1ccc2c(c1)c(C)cn2NC(=O)c1cnc(nc1C)c1ccccn1	0.452	0.717	0.963	0.498	0.685	0.622	0.975	0.855	0.623	0.029	0.159
Compound_3	CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1	0.447	0.416	0.325	0.421	0.323	0.794	0.097	0.068	0.407	0.612	0.453
Compound_4	CCCCCCCCCCCCCCCCOC(=O)C(CCCC)CC	0.875	0.012	0.172	0.684	0.087	0.055	0.999	0.565	0.634	0.997	0.905
Compound_5	OC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2	0.286	0.451	0.217	0.186	0.024	0.187	0.23	0.02	0.204	0.279	0.035
Compound_6	CC(=CCC[C@]([C@@H]1CCC(=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_7	CC1(C)[C@H]2CC[C@@]3(C1=CCCC3(C)C)C2	0.999	0.578	0.4	0.654	0.569	0.204	0.05	0.941	0.883	0.996	0.425
Compound_8	C1CCC(CC1)SSC1CCCCC1	0.875	0.295	0.119	0.453	0.5	0.499	0.974	0.909	0.9	1.0	0.624
Compound_9	OCC1C(CO)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.901	0.588	0.249	0.636	0.85	0.329	0.955	0.878	0.048	0.957	0.889
Compound_10	CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C	0.053	0.348	0.125	0.047	0.815	0.667	0.928	0.9	0.676	0.008	0.918
Compound_11	OCc1cccc(c1)Oc1ccccc1	0.428	0.739	0.757	0.548	0.577	0.253	0.96	0.116	0.291	0.085	0.879
Compound_12	CSc1ccc(cc1C)Oc1ccc(cc1CN(C)C)S(=O)(=O)N	0.058	0.44	0.009	0.204	0.118	0.613	0.06	0.007	0.229	0.132	0.239
Compound_13	O=CC(Cc1cccc(c1)C(C)(C)C)C	0.612	0.108	0.506	0.542	0.057	0.211	0.695	0.35	0.828	0.966	0.332
Compound_14	O=C1c2c(ccc(c2C(=O)c2c1cccc2)Nc1ccccc1C)Nc1ccccc1C	0.629	0.792	0.957	0.677	0.932	0.433	0.989	0.929	0.613	0.552	0.994
Compound_15	O=C(c1cccnc1Oc1ccc2c(c1)non2)NCc1ccc(cc1)C(O)(C)C	0.494	0.588	0.641	0.536	0.722	0.646	0.994	0.099	0.443	0.007	0.494
Compound_16	Cc1cccc(c1)C	0.812	0.144	0.909	0.567	0.031	0.047	0.979	0.828	0.873	0.994	0.14
Compound_17	O=C1CCCCCCCCCCCCCC1	0.979	0.113	0.32	0.482	0.063	0.055	0.963	0.683	0.401	0.999	0.855
Compound_18	O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1	0.435	0.499	0.494	0.448	0.137	0.703	0.002	0.133	0.644	0.016	0.527
Compound_19	CC(COC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O	0.747	0.393	0.023	0.5	0.236	0.111	0.626	0.284	0.446	0.685	0.374
Compound_20	CCCCCCC(c1cc(cc(c1OC(=O)C=CC)N(=O)=O)N(=O)=O)C	0.774	0.46	0.446	0.799	0.933	0.907	0.978	0.986	0.817	0.999	0.869
Compound_21	CCCCCCCCOC(=O)[C@H](Oc1ccc(cc1C)Cl)C	0.326	0.334	0.871	0.759	0.115	0.125	0.299	0.932	0.528	0.995	0.63
Compound_22	Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F	0.333	0.504	0.664	0.749	0.892	0.934	0.997	0.993	0.345	0.958	0.918
Compound_23	CCNC(=O)C1CC(C)CCC1C(C)C	0.241	0.195	0.08	0.274	0.007	0.043	0.002	0.08	0.409	0.711	0.049
Compound_24	OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1	0.399	0.623	0.363	0.712	0.201	0.743	0.191	0.146	0.558	0.445	0.383
Compound_25	C=CC(CCCC(CCCC(CCCC(C)C)C)C)(O)C	0.967	0.139	0.398	0.562	0.663	0.205	0.982	0.944	0.11	0.938	0.706
Compound_26	N#Cc1ccccc1N=C(c1snc(c1Cl)Cl)O	0.374	0.637	0.69	0.39	0.72	0.694	0.98	0.01	0.802	0.725	0.81
Compound_27	COc1cc(c(cc1N=NC1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)O)C)C)S(=O)(=O)CCOS(=O)(=O)O	0.496	0.557	0.986	0.484	0.686	0.673	0.029	0.762	0.407	0.625	0.377
Compound_28	Clc1ccccc1CC(C1(Cl)CC1)(Cn1cncn1)O	0.635	0.847	0.776	0.856	0.125	0.671	0.239	0.295	0.43	0.324	0.657
Compound_29	CC(=O)Nc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O	0.695	0.822	0.955	0.646	0.927	0.653	0.88	0.973	0.675	0.909	0.803
Compound_30	C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)O	0.917	0.673	0.037	0.43	0.482	0.194	0.051	0.53	0.361	0.944	0.367
Compound_31	COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C	0.505	0.663	0.754	0.577	0.275	0.098	0.982	0.865	0.349	0.084	0.18
Compound_32	CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl	0.952	0.874	0.5	0.73	0.92	0.225	1.0	0.992	0.562	0.87	0.715
Compound_33	CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O	0.832	0.924	0.767	0.861	0.221	0.841	0.045	0.772	0.464	0.444	0.594
Compound_34	O=C1CCCCCCCCCCCCCCC1	0.979	0.113	0.32	0.482	0.09	0.087	0.997	0.683	0.401	0.999	0.855
Compound_35	CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1	0.755	0.836	0.643	0.877	0.169	0.898	0.1	0.922	0.511	0.146	0.263
Compound_36	NC(=N)NCCCCCCCCNCCCCCCCCNC(=N)N	0.119	0.11	0.016	0.36	0.055	0.979	0.139	0.049	0.391	0.016	0.053
Compound_37	CCCCCCCC(=O)NCCN(CCC(=O)O)CCO	0.024	0.091	0.003	0.054	0.017	0.018	0.0	0.109	0.352	0.03	0.163
Compound_38	Clc1ccc(cc1)Oc1ccc(cc1O)Cl	0.935	0.582	0.647	0.723	0.827	0.489	0.498	0.803	0.435	0.991	0.995
Compound_39	CCOC(=O)C1(C)CC(=NN1c1ccc(cc1Cl)Cl)C(=O)OCC	0.593	0.695	0.25	0.665	0.558	0.575	0.966	0.789	0.406	0.983	0.697
Compound_40	CCCCCCCCCCCCC(CCCCCCCCCC)CO	0.928	0.041	0.07	0.566	0.087	0.157	0.977	0.11	0.578	0.826	0.666
Compound_41	ClCCc1cc2CC(=O)Nc2cc1Cl	0.768	0.502	0.939	0.587	0.796	0.587	0.996	0.979	0.906	0.841	0.462
Compound_42	CC(c1ccc2c(c1)ccc(c2)C(C)C)C	0.851	0.493	0.809	0.64	0.21	0.203	0.938	0.934	0.753	0.999	0.911
Compound_43	Fc1ccc(cc1)Oc1ncccc1C(=O)NCc1ccc(cc1)C(O)(C)C	0.534	0.411	0.522	0.527	0.43	0.367	0.827	0.126	0.591	0.003	0.309
Compound_44	OC(=O)CCn1ccc2c1cccc2OCCc1nc(oc1C)c1ccccc1	0.326	0.673	0.983	0.541	0.643	0.625	0.997	0.944	0.279	0.316	0.521
Compound_45	BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.872	0.942	0.982	0.929	0.434	0.761	0.035	0.775	0.511	0.346	0.709
Compound_46	Nc1cccc(c1)Oc1ccc(cc1)c1ccc(cc1)Oc1cccc(c1)N	0.766	0.785	0.972	0.861	0.993	0.937	0.994	0.988	0.676	0.717	0.981
Compound_47	O=C(c1ccc(cc1)N)Nc1c(C)cccc1C	0.642	0.708	0.817	0.582	0.093	0.902	0.869	0.061	0.794	0.444	0.812
Compound_48	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F	0.95	0.592	0.965	0.736	0.976	0.898	0.986	0.975	0.467	0.83	0.963
Compound_49	O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1	0.464	0.589	0.157	0.2	0.059	0.596	0.599	0.031	0.26	0.371	0.082
Compound_50	OC(=O)c1ccccc1SSc1ccccc1C(=O)O	0.652	0.335	0.578	0.362	0.669	0.766	0.876	0.103	0.634	0.755	0.707
Compound_51	CNCc1cc(F)ccc1Oc1ccc(c(c1)Cl)Cl	0.356	0.477	0.898	0.442	0.532	0.841	0.306	0.965	0.614	0.47	0.618
Compound_52	CC1CC(OC(=O)c2ccccc2O)CC(C1)(C)C	0.749	0.607	0.054	0.582	0.792	0.774	0.434	0.059	0.15	0.919	0.399
Compound_53	CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC)C	0.952	0.011	0.231	0.751	0.129	0.098	0.999	0.068	0.254	0.968	0.899
Compound_54	BrCCC(c1ccccc1)(c1ccccc1)C#N	0.904	0.611	0.423	0.745	0.721	0.604	0.945	0.993	0.61	0.972	0.978
Compound_55	Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F	0.829	0.516	0.98	0.835	0.949	0.705	0.934	0.992	0.408	0.552	0.776
Compound_56	c1ccc(cc1)COc1ccc2c(c1)cccc2	0.682	0.78	0.944	0.74	0.937	0.92	0.997	0.949	0.7	0.996	0.98
Compound_57	CCOCCCNS(=O)(=O)c1ccc(cc1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.543	0.679	0.056	0.36	0.803	0.724	0.677	0.713	0.379	0.039	0.2
Compound_58	NC(=O)Cn1c(=O)cc(c2c1cc(F)cc2)CCN1CCN(CC1)c1nccc2c1ccs2	0.952	0.562	0.089	0.295	0.333	0.714	0.213	0.15	0.484	0.078	0.044
Compound_59	CCN(c1ccc(cc1)N=Nc1ccccc1)CCOC(OCC(C)C)C	0.63	0.696	0.89	0.601	0.363	0.877	0.113	0.702	0.559	0.601	0.398
Compound_60	CNc1ccc(cc1)C(c1ccc(cc1)N(C)C)(c1ccc(cc1)N(C)C)O	0.643	0.593	0.856	0.457	0.795	0.916	0.896	0.385	0.688	0.271	0.965
Compound_61	CON(C(=O)Nc1ccc(cc1)Oc1ccc2c(c1)OC(CC2(C)C)(C)OC)C	0.611	0.793	0.83	0.666	0.964	0.941	0.858	0.758	0.685	0.115	0.692
Compound_62	O=C(Nc1cc(F)ccc1N1CCC(CC1)C(=O)O)NC(=O)c1cc(F)c(cc1Cl)F	0.688	0.506	0.572	0.522	0.856	0.764	0.953	0.982	0.411	0.25	0.276
Compound_63	Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1	0.952	0.476	0.896	0.648	0.849	0.96	0.985	0.474	0.44	0.854	0.362
Compound_64	Clc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1ccccc1	0.379	0.676	0.294	0.288	0.187	0.886	0.947	0.448	0.433	0.88	0.641
Compound_65	C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C	0.716	0.585	0.125	0.375	0.491	0.135	0.742	0.125	0.338	0.972	0.601
Compound_66	CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1	0.633	0.634	0.757	0.765	0.586	0.653	0.906	0.872	0.484	0.62	0.731
Compound_67	O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)COP(=O)(O)O	0.724	0.312	0.028	0.454	0.342	0.125	0.042	0.007	0.232	0.011	0.506
Compound_68	OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C	0.563	0.567	0.244	0.192	0.27	0.661	0.519	0.08	0.193	0.06	0.144
Compound_69	CC(CCCCCCCCCCOC(=O)CC(CC(C)(C)C)C)C	0.888	0.011	0.582	0.564	0.197	0.095	0.996	0.877	0.275	0.968	0.749
Compound_70	N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.037	0.114	0.0	0.052	0.154	0.036	0.022	0.052	0.047	0.011	0.077
Compound_71	Clc1ccc2c(c1)[nH]c(=O)n2C1CCNCC1	0.431	0.37	0.135	0.328	0.156	0.598	0.002	0.048	0.667	0.005	0.068
Compound_72	Clc1ccc(cc1)C(=C(Cl)Cl)c1ccccc1Cl	0.836	0.578	0.719	0.651	0.94	0.942	0.961	0.978	0.49	0.999	0.922
Compound_73	NC(=O)N([C@@H]1COc2c1ccc(c2)OCc1ccccc1)O	0.952	0.868	0.049	0.436	0.515	0.867	0.333	0.013	0.95	0.322	0.759
Compound_74	CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl	0.949	0.468	0.496	0.565	0.801	0.953	0.948	0.966	0.722	0.996	0.862
Compound_75	O=C(c1cccc(c1Cl)C(F)(F)F)N[C@@H](c1ccccc1)[C@@H]1CCCCN1	0.431	0.472	0.013	0.225	0.273	0.898	0.192	0.202	0.477	0.058	0.26
Compound_76	Clc1ccc(c(c1)Cl)C(Cn1cncc1)O	0.056	0.58	0.864	0.786	0.742	0.873	0.005	0.481	0.415	0.178	0.5
Compound_77	Clc1ccc(cc1)C(c1ccc(cc1)Cl)(c1cccnc1)O	0.108	0.764	0.252	0.636	0.615	0.524	0.216	0.054	0.427	0.65	0.967
Compound_78	CCn1nc(cc1C1CCN(CC1)C[C@H]1C[C@@H](C[C@@H]1c1cccc(c1)F)N([C@@H](C(=O)O)C(C)C)C)Cc1ccccc1	0.505	0.673	0.034	0.22	0.775	0.636	0.743	0.159	0.256	0.228	0.135
Compound_79	N#Cc1ccccc1C=Cc1ccc(cc1)C=Cc1ccccc1C#N	0.962	0.566	0.904	0.669	0.956	0.422	0.998	0.863	0.95	0.978	0.99
Compound_80	CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC	0.138	0.514	0.03	0.197	0.26	0.458	0.016	0.152	0.354	0.795	0.231
Compound_81	COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O	0.041	0.537	0.512	0.18	0.089	0.159	0.006	0.035	0.436	0.008	0.042
Compound_82	Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O	0.149	0.693	0.739	0.794	0.905	0.688	0.237	0.901	0.658	0.754	0.946
Compound_83	C[C@H](C(=O)O)Oc1ccc(c(c1)F)CNC(=O)c1cccnc1Oc1ccc2c(c1)OCO2	0.623	0.336	0.629	0.468	0.318	0.098	0.259	0.341	0.246	0.103	0.727
Compound_84	CCCCN(c1ccc(c(c1)O)C(=O)c1ccccc1C(=O)O)CCCC	0.952	0.672	0.274	0.675	0.905	0.252	0.976	0.963	0.495	0.381	0.603
Compound_85	OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O	0.548	0.173	0.002	0.223	0.059	0.059	0.024	0.004	0.072	0.028	0.829
Compound_86	Fc1ccc(cc1)CC1CCN(CC1)CCS(=O)c1ccc2c(c1)oc(=O)[nH]2	0.339	0.477	0.288	0.312	0.537	0.898	0.067	0.946	0.455	0.632	0.327
Compound_87	N#Cc1ccc(cc1)C=Cc1ccc(cc1)C=Cc1ccccc1C#N	0.967	0.566	0.838	0.669	0.956	0.422	0.998	0.863	0.95	0.978	0.99
Compound_88	Cc1nn(c(c1C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)O)C	0.583	0.466	0.755	0.629	0.707	0.642	0.477	0.938	0.402	0.672	0.426
Compound_89	CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C	0.067	0.405	0.046	0.137	0.032	0.351	0.004	0.054	0.533	0.758	0.094
Compound_90	Fc1ccc(cc1)C(=O)N[C@H]1c2cc(ccc2OC([C@@H]1O)(C)C)C(=O)C	0.373	0.596	0.073	0.435	0.093	0.84	0.794	0.068	0.456	0.556	0.7
Compound_91	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C	0.975	1.0	0.009	0.899	0.798	0.865	0.02	0.119	0.044	0.418	0.065
Compound_92	CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(cc1O)N(CC)CC	0.929	0.697	0.928	0.736	0.9	0.36	0.977	0.947	0.57	0.523	0.823
Compound_93	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_94	COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)OC(F)(F)F	0.084	0.482	0.148	0.41	0.443	0.334	0.118	0.078	0.339	0.001	0.521
Compound_95	CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)N)O)C	0.108	0.453	0.315	0.325	0.128	0.26	0.02	0.265	0.316	0.002	0.196
Compound_96	CC[C@H]1CC[C@@H]([C@@H](N1)c1ccccc1)NCc1cc2N(C)C(=O)[C@H]3[C@@H](c2cc1OC)C3	0.952	0.61	0.277	0.331	0.274	0.761	0.828	0.132	0.442	0.406	0.918
Compound_97	OCC([C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(CO)(C)C)O)O)(C)C	0.045	0.089	0.001	0.299	0.133	0.318	0.002	0.047	0.058	0.024	0.277
Compound_98	OCc1cc(c(cc1C)SC1=C(O)C[C@@](OC1=O)(CCc1ccc(cc1)N)C(C)C)C(C)(C)C	0.684	0.699	0.219	0.56	0.881	0.891	0.985	0.946	0.6	0.272	0.67
Compound_99	O[C@@H]1CN(C[C@@H]1O)C(=O)[C@@H]([C@@H](NC(=O)c1cc2c([nH]1)ccc(c2)Cl)Cc1ccccc1)O	0.715	0.546	0.697	0.386	0.66	0.667	0.213	0.735	0.241	0.612	0.776
Compound_100	COc1ccc(cc1O)[C@@H]1CC(=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	0.053	0.676	0.019	0.297	0.935	0.799	0.067	0.173	0.432	0.035	0.536
Compound_101	OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.241	0.573	0.015	0.373	0.902	0.708	0.067	0.221	0.376	0.074	0.35
Compound_102	CC(CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C	0.961	0.035	0.569	0.533	0.218	0.061	0.999	0.575	0.157	0.996	0.618
Compound_103	O=c1c2ccc3c4c2c(c(=O)n1CCc1ccccc1)ccc4c1c2c3ccc3c2c(cc1)c(=O)n(c3=O)CCc1ccccc1	0.143	0.516	0.693	0.569	0.538	0.876	0.678	0.785	0.441	0.193	0.661
Compound_104	Oc1ccc(cc1)C1(c2ccc(cc2)O)c2ccccc2C(=O)N1c1ccccc1	0.932	0.753	0.47	0.481	0.976	0.986	0.929	0.179	0.413	0.184	0.94
Compound_105	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_106	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_107	CCCCCCCCCCCCCCCCCCNC(=O)NCCCNC(=O)NCCCCCCCCCCCCCCCCCC	0.21	0.125	0.103	0.321	0.112	0.524	0.135	0.359	0.862	0.19	0.136
Compound_108	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_109	CCOP(Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C	0.505	0.562	0.897	0.579	0.699	0.738	0.281	0.302	0.819	0.987	0.664
Compound_110	CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(=O)C(C)C)O[C@@H]([C@H]([C@@H]2OC(=O)C(C)C)OC(=O)C(C)C)COC(=O)C)[C@@H]([C@H]([C@@H]1OC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C	0.813	0.387	0.166	0.614	0.573	0.436	0.992	0.184	0.391	0.573	0.888
Compound_111	CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C	0.609	0.87	0.025	0.255	0.416	0.475	0.1	0.777	0.276	0.32	0.534
Compound_112	CCO[C@H]1[C@@H](OC)[C@H](O[C@H]2C[C@@H]3[C@@H](C2)C(=C[C@@H]2[C@H]3C=C3[C@H]2CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C3=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)C)O[C@H]([C@@H]1OC)C	0.626	0.87	0.03	0.22	0.409	0.499	0.101	0.791	0.283	0.32	0.534
Compound_113	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_114	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_115	OC(=O)C(Oc1cccc(c1)Cl)C	0.146	0.075	0.253	0.46	0.409	0.058	0.633	0.026	0.159	0.541	0.083
Compound_116	O=C(Nc1cc(F)cc(c1)F)NN=C(c1ncccc1C(=O)O)C	0.337	0.599	0.918	0.605	0.312	0.401	0.694	0.222	0.413	0.027	0.228
Compound_117	Cc1ccc(cc1)C(=C)C	0.934	0.546	0.705	0.557	0.06	0.072	0.995	0.934	0.864	0.996	0.725
Compound_118	CCCCCCCCCCCCCC(=O)N(CC(=O)O)C	0.341	0.082	0.019	0.155	0.075	0.15	0.951	0.049	0.272	0.038	0.167
Compound_119	CCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.378	0.145	0.01	0.32	0.006	0.098	0.001	0.139	0.341	0.02	0.104
Compound_120	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_121	Oc1cccc2c1nccc2	0.69	0.785	0.662	0.579	0.23	0.456	0.129	0.923	0.451	0.996	0.966
Compound_122	O=C(Nc1ccc(cc1)N(=O)=O)Nc1ccc(cc1)N(=O)=O	0.934	0.594	0.967	0.648	0.446	0.972	0.406	0.984	0.058	0.952	0.596
Compound_123	OC(=O)C(Oc1ccc(cc1Cl)Cl)C	0.218	0.09	0.273	0.577	0.126	0.082	0.641	0.106	0.468	0.968	0.195
Compound_124	CC(Cc1ccc(cc1)C(C(=O)O)C)C	0.023	0.075	0.005	0.181	0.065	0.027	0.064	0.023	0.058	0.061	0.045
Compound_125	Cn1c(=O)n(C)c2c(c1=O)[nH]cn2	0.087	0.207	0.051	0.287	0.131	0.726	0.0	0.05	0.441	0.001	0.075
Compound_126	OC(=O)COc1nc(Cl)c(cc1Cl)Cl	0.367	0.137	0.541	0.482	0.093	0.072	0.976	0.133	0.32	0.178	0.217
Compound_127	CCc1ccc(nc1)C	0.293	0.249	0.686	0.567	0.028	0.406	0.001	0.568	0.14	0.461	0.303
Compound_128	O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O	0.821	0.339	0.205	0.255	0.599	0.653	0.796	0.527	0.211	0.254	0.188
Compound_129	O=C1CC(=NN1c1ccc(cc1)S(=O)(=O)O)C(=O)O	0.372	0.303	0.893	0.313	0.457	0.547	0.152	0.157	0.404	0.004	0.273
Compound_130	CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(cc1C)C	0.235	0.509	0.04	0.569	0.213	0.337	0.686	0.233	0.529	0.565	0.782
Compound_131	O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.053	0.211	0.0	0.064	0.272	0.08	0.006	0.111	0.069	0.011	0.079
Compound_132	CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C	0.29	0.561	0.102	0.177	0.056	0.389	0.015	0.122	0.069	0.03	0.516
Compound_133	OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F	0.648	0.544	0.143	0.162	0.809	0.423	0.99	0.943	0.579	0.042	0.947
Compound_134	On1nnc2c1cccc2	0.641	0.301	0.92	0.545	0.353	0.098	0.965	0.094	0.9	0.901	0.754
Compound_135	COC(=O)NS(=O)(=O)c1ccc(cc1)N	0.066	0.167	0.024	0.169	0.126	0.23	0.031	0.018	0.16	0.007	0.184
Compound_136	OC(=O)CN(C(=N)N)C	0.022	0.075	0.021	0.231	0.03	0.029	0.0	0.106	0.105	0.0	0.046
Compound_137	SC#N	0.842	0.27	0.123	0.475	0.618	0.19	0.634	0.491	0.979	0.999	0.926
Compound_138	CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C	0.456	0.48	0.236	0.474	0.209	0.468	0.351	0.794	0.337	0.144	0.318
Compound_139	CC(N1C(=O)c2ccccc2NS1(=O)=O)C	0.281	0.502	0.391	0.495	0.04	0.25	0.003	0.189	0.287	0.028	0.205
Compound_140	Nc1cc(cc(c1O)Cl)N(=O)=O	0.781	0.147	0.837	0.556	0.598	0.41	0.981	0.988	0.679	0.835	0.938
Compound_141	OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C	0.044	0.516	0.009	0.038	0.297	0.049	0.001	0.01	0.05	0.01	0.087
Compound_142	CN(=O)(C)C	0.625	0.183	0.148	0.484	0.174	0.155	0.044	0.757	0.799	0.828	0.526
Compound_143	CO[Si](OC)(OC)OC	0.908	0.068	0.407	0.531	0.168	0.122	0.932	0.759	0.885	0.958	0.699
Compound_144	CCC[Si](OCC)(OCC)OCC	0.952	0.054	0.561	0.561	0.083	0.093	0.998	0.723	0.467	0.997	0.695
Compound_145	CO[Si](CCCNC1CCCCC1)(OC)OC	0.166	0.314	0.012	0.291	0.024	0.161	0.001	0.033	0.437	0.002	0.18
Compound_146	NCCNCCC[Si](OCC)(OCC)OCC	0.104	0.098	0.062	0.396	0.021	0.101	0.0	0.017	0.078	0.032	0.165
Compound_147	CC1OB(OB2OC(C)CC(O2)(C)C)OC(C1)(C)C	0.633	0.575	0.026	0.506	0.476	0.74	0.973	0.861	0.588	0.724	0.686
Compound_148	C[Si](O)(C)C	0.876	0.099	0.132	0.473	0.249	0.104	0.667	0.119	0.828	0.842	0.427
Compound_149	ClCCCCl	0.931	0.063	0.292	0.616	0.313	0.143	0.992	0.953	0.076	0.998	0.933
Compound_150	[C-]#N	0.894	0.297	0.407	0.5	0.693	0.073	0.457	0.964	0.939	0.999	0.927
Compound_151	CNC=O	0.312	0.179	0.241	0.319	0.104	0.081	0.008	0.853	0.783	0.839	0.593
Compound_152	Clc1cc2c(c3c1[nH]c1c([nH]3)c(Cl)cc3c1c(=O)c1c(c3=O)cccc1)c(=O)c1c(c2=O)cccc1	0.615	0.657	0.886	0.512	0.883	0.675	0.995	0.415	0.641	0.578	0.997
Compound_153	O=NN(C)C	0.516	0.089	0.405	0.465	0.155	0.094	0.065	0.837	0.803	0.98	0.677
Compound_154	O=C1c2ccccc2C(=O)c2c1c1[nH]c3ccc4c5c3c(c1cc2)ccc5c(=O)c1c4cccc1	0.678	0.721	0.975	0.558	0.936	0.882	0.997	0.606	0.479	0.098	0.971
Compound_155	CN=C=S	0.662	0.118	0.551	0.516	0.163	0.396	0.621	0.907	0.849	0.998	0.907
Compound_156	CNC(=O)C	0.079	0.079	0.184	0.288	0.006	0.002	0.004	0.126	0.761	0.718	0.332
Compound_157	Nc1ccc(c2c1C(=O)c1ccccc1C2=O)c1ccc(c2c1C(=O)c1ccccc1C2=O)N	0.794	0.619	0.987	0.872	0.959	0.929	0.998	0.988	0.737	0.674	0.998
Compound_158	N#CC#N	0.882	0.323	0.273	0.494	0.195	0.033	0.454	0.982	0.935	0.996	0.898
Compound_159	CCCCl	0.927	0.076	0.287	0.634	0.197	0.058	0.998	0.982	0.937	0.998	0.896
Compound_160	N1CC1	0.163	0.212	0.038	0.368	0.375	0.286	0.002	0.023	0.812	0.59	0.625
Compound_161	CC=CC=O	0.905	0.218	0.552	0.568	0.152	0.189	0.999	0.981	0.965	1.0	0.882
Compound_162	CC(=O)C(=O)C	0.897	0.129	0.435	0.504	0.021	0.006	0.992	0.475	0.376	0.841	0.914
Compound_163	CC(=O)N	0.201	0.086	0.045	0.239	0.007	0.005	0.126	0.015	0.746	0.503	0.277
Compound_164	COS(=O)(=O)C	0.785	0.067	0.402	0.52	0.091	0.098	0.982	0.625	0.37	0.963	0.205
Compound_165	C1OC1C=O	0.738	0.156	0.397	0.516	0.164	0.551	0.986	0.909	0.864	0.881	0.927
Compound_166	ON=C(C)C	0.622	0.168	0.63	0.513	0.069	0.096	0.817	0.312	0.569	0.945	0.866
Compound_167	C=CP(=O)(O)O	0.582	0.149	0.263	0.411	0.579	0.154	0.844	0.832	0.794	0.648	0.529
Compound_168	CCSCC	0.692	0.164	0.659	0.506	0.107	0.017	0.967	0.08	0.406	0.999	0.855
Compound_169	NC(=O)CCl	0.353	0.024	0.034	0.366	0.172	0.024	0.848	0.704	0.801	0.674	0.785
Compound_170	ClC(Br)Cl	0.927	0.088	0.324	0.575	0.648	0.322	0.955	0.983	0.822	1.0	0.923
Compound_171	c1cccs1	0.92	0.469	0.596	0.492	0.195	0.355	0.998	0.046	0.982	0.998	0.641
Compound_172	OCCN(O)C	0.078	0.116	0.127	0.446	0.058	0.063	0.012	0.601	0.107	0.005	0.509
Compound_173	CNNC	0.505	0.075	0.433	0.474	0.29	0.098	0.007	0.891	0.707	0.832	0.41
Compound_174	OCCCl	0.798	0.11	0.115	0.585	0.037	0.025	0.921	0.885	0.722	0.653	0.901
Compound_175	ClCC1CO1	0.916	0.14	0.441	0.642	0.198	0.106	0.997	0.996	0.918	0.999	0.991
Compound_176	FC(Cl)(Cl)F	0.941	0.068	0.453	0.591	0.827	0.117	0.831	0.979	0.669	0.999	0.931
Compound_177	FC(C(F)(F)F)F	0.908	0.065	0.433	0.583	0.245	0.049	0.706	0.883	0.486	1.0	0.9
Compound_178	ClC(Br)Br	0.912	0.088	0.324	0.575	0.636	0.212	0.974	0.983	0.911	1.0	0.923
Compound_179	CC(=O)CO	0.67	0.05	0.092	0.461	0.025	0.068	0.962	0.074	0.431	0.084	0.59
Compound_180	CNN	0.471	0.095	0.541	0.474	0.44	0.138	0.007	0.891	0.88	0.856	0.412
Compound_181	C=CC(O)(C)C	0.77	0.051	0.253	0.574	0.238	0.02	0.659	0.967	0.647	0.863	0.836
Compound_182	COCCOC(=O)C	0.836	0.031	0.372	0.629	0.072	0.026	0.97	0.389	0.866	0.656	0.588
Compound_183	ClC(C(=O)O)Cl	0.724	0.033	0.047	0.438	0.093	0.098	0.846	0.998	0.648	0.481	0.928
Compound_184	OCC=CCO	0.768	0.203	0.133	0.544	0.365	0.064	0.976	0.942	0.659	0.511	0.858
Compound_185	C=CCCC(=O)O	0.352	0.107	0.176	0.125	0.304	0.005	0.989	0.208	0.057	0.1	0.305
Compound_186	CN(N)C	0.505	0.088	0.502	0.498	0.248	0.08	0.058	0.722	0.79	0.946	0.346
Compound_187	CCOS(=O)(=O)C	0.72	0.074	0.72	0.489	0.02	0.063	0.973	0.101	0.248	0.97	0.25
Compound_188	CC(=C)OC(=O)C	0.793	0.163	0.348	0.557	0.161	0.004	0.98	0.985	0.971	0.998	0.879
Compound_189	CC(C(=O)O)Cl	0.654	0.031	0.046	0.45	0.156	0.005	0.996	0.992	0.486	0.555	0.833
Compound_190	OCCC#N	0.763	0.153	0.054	0.484	0.144	0.095	0.844	0.52	0.383	0.063	0.816
Compound_191	BrC(Br)Br	0.9	0.087	0.324	0.575	0.525	0.185	0.888	0.983	0.926	1.0	0.896
Compound_192	CC(=C)C#N	0.936	0.344	0.329	0.541	0.283	0.007	0.939	0.991	0.786	0.994	0.966
Compound_193	ClCC=CCl	0.921	0.06	0.63	0.64	0.649	0.054	0.995	0.993	1.002	0.998	0.933
Compound_194	Nc1n[nH]cn1	0.253	0.224	0.883	0.373	0.256	0.204	0.001	0.314	0.949	0.191	0.656
Compound_195	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_196	OCC1CO1	0.569	0.192	0.081	0.464	0.267	0.172	0.186	0.228	0.68	0.524	0.5
Compound_197	OC(=O)C(Cl)(Cl)Cl	0.791	0.016	0.047	0.438	0.168	0.091	0.787	0.998	0.291	0.521	0.957
Compound_198	ClC=C(C)C	0.911	0.165	0.53	0.612	0.193	0.004	0.994	0.994	0.903	0.996	0.974
Compound_199	OC(=O)C(Cl)(Cl)C	0.764	0.021	0.046	0.441	0.115	0.112	0.994	0.956	0.443	0.527	0.909
Compound_200	CC(C(=O)O)N	0.018	0.062	0.016	0.121	0.028	0.001	0.0	0.001	0.069	0.006	0.167
Compound_201	C[C@@H](C(=O)O)N	0.018	0.062	0.016	0.121	0.028	0.001	0.0	0.001	0.069	0.006	0.167
Compound_202	ClC(N(=O)=O)(Cl)Cl	0.85	0.104	0.353	0.599	0.697	0.244	0.622	0.995	0.252	0.98	0.908
Compound_203	CCC(=O)OCC=C	0.928	0.047	0.517	0.683	0.447	0.053	0.999	1.0	0.155	0.999	0.941
Compound_204	COP(=O)(SC)N	0.691	0.099	0.051	0.274	0.407	0.189	0.484	0.012	0.697	0.211	0.582
Compound_205	C=CCSCC=C	0.735	0.126	0.504	0.611	0.49	0.028	0.997	0.977	0.341	0.999	0.906
Compound_206	CC(=O)C(O)C	0.597	0.116	0.058	0.479	0.016	0.028	0.953	0.046	0.328	0.202	0.65
Compound_207	CCOC(=O)N	0.298	0.029	0.216	0.283	0.034	0.039	0.134	0.007	0.053	0.043	0.265
Compound_208	OC[C@@H](C(=O)O)N	0.021	0.092	0.008	0.108	0.047	0.01	0.001	0.039	0.053	0.0	0.041
Compound_209	OC(=O)CC(C(=O)O)O	0.284	0.054	0.015	0.147	0.072	0.098	0.037	0.359	0.208	0.006	0.055
Compound_210	OCCOC(C)C	0.65	0.106	0.101	0.486	0.073	0.098	0.877	0.714	0.301	0.362	0.513
Compound_211	CCN(C=O)CC	0.227	0.118	0.214	0.483	0.009	0.139	0.011	0.246	0.632	0.847	0.413
Compound_212	C=CCC(C)C	0.894	0.048	0.769	0.643	0.138	0.001	0.979	0.959	0.26	0.997	0.795
Compound_213	CC(OC)CCO	0.685	0.087	0.06	0.418	0.028	0.022	0.452	0.255	0.17	0.018	0.583
Compound_214	CC(=O)Oc1ccc(cc1)C	0.636	0.117	0.763	0.684	0.394	0.099	0.493	0.347	0.758	0.649	0.067
Compound_215	C=CCOC(=O)CC(=O)C	0.915	0.07	0.479	0.661	0.478	0.122	0.996	0.998	0.453	0.997	0.842
Compound_216	OCC[C@H](O)C	0.631	0.118	0.046	0.456	0.029	0.014	0.551	0.057	0.04	0.016	0.138
Compound_217	OCCC(O)C	0.631	0.118	0.046	0.456	0.029	0.014	0.551	0.057	0.04	0.016	0.138
Compound_218	ClCCP(=O)(O)O	0.718	0.096	0.034	0.395	0.625	0.098	0.812	0.581	0.918	0.141	0.356
Compound_219	O[C@@H]([C@@H](C(=O)O)O)C(=O)O	0.284	0.112	0.022	0.15	0.072	0.098	0.037	0.708	0.389	0.028	0.5
Compound_220	CCCC(=O)OCC=C	0.925	0.039	0.49	0.684	0.393	0.036	0.999	0.998	0.15	1.0	0.921
Compound_221	CCOC(OCC)C	0.778	0.025	0.616	0.513	0.023	0.042	0.962	0.42	0.373	0.998	0.901
Compound_222	COCCOCOCCOC	0.665	0.045	0.462	0.509	0.053	0.05	0.869	0.542	0.746	0.974	0.728
Compound_223	ClCC(Cl)(Cl)Cl	0.928	0.073	0.433	0.635	0.445	0.813	0.927	0.891	0.208	0.999	0.945
Compound_224	CCCCC(=O)C	0.914	0.031	0.255	0.548	0.018	0.009	0.982	0.639	0.503	0.977	0.889
Compound_225	OCOCCOCO	0.587	0.087	0.073	0.486	0.059	0.188	0.113	0.185	0.576	0.622	0.603
Compound_226	O=c1ccc(=O)[nH][nH]1	0.769	0.254	0.603	0.506	0.365	0.13	0.954	0.015	0.878	0.144	0.656
Compound_227	N[C@H](C(=O)O)CS	0.006	0.152	0.008	0.108	0.093	0.049	0.001	0.039	0.145	0.0	0.102
Compound_228	OC(=O)CNCP(=O)(O)O	0.04	0.1	0.003	0.134	0.243	0.014	0.0	0.004	0.071	0.005	0.179
Compound_229	CCC1=NCCO1	0.252	0.263	0.391	0.699	0.016	0.027	0.291	0.403	0.49	0.845	0.568
Compound_230	CCOCC(OCC)C	0.715	0.058	0.653	0.533	0.082	0.054	0.99	0.233	0.321	0.993	0.887
Compound_231	C1CCC2C(C1)O2	0.896	0.276	0.119	0.498	0.185	0.18	0.981	0.918	0.42	0.999	0.553
Compound_232	CCOCC(OC(=O)C)C	0.766	0.037	0.437	0.528	0.096	0.03	0.99	0.147	0.519	0.913	0.683
Compound_233	CCC(CO)C	0.636	0.061	0.056	0.494	0.02	0.011	0.952	0.031	0.348	0.535	0.569
Compound_234	CCCCOC(=O)N	0.295	0.093	0.035	0.378	0.036	0.04	0.35	0.01	0.551	0.016	0.189
Compound_235	C=CCCCCC=C	0.936	0.11	0.335	0.626	0.368	0.029	0.999	0.942	0.338	0.999	0.874
Compound_236	CC(OCCOC(=O)C)C	0.811	0.03	0.318	0.603	0.096	0.03	0.99	0.529	0.929	0.689	0.622
Compound_237	CC(OCC1OC1)C	0.81	0.146	0.392	0.577	0.22	0.081	0.932	0.522	0.947	0.99	0.892
Compound_238	CCNCCC	0.029	0.08	0.034	0.3	0.009	0.004	0.001	0.034	0.327	0.876	0.33
Compound_239	Oc1ccc(cc1)N(=O)=O	0.957	0.185	0.913	0.611	0.766	0.445	0.986	0.974	0.627	0.897	0.908
Compound_240	Cn1cc[nH]c1=S	0.067	0.22	0.047	0.295	0.009	0.327	0.021	0.005	0.872	0.933	0.718
Compound_241	CC(CSS(=O)(=O)C)O	0.398	0.152	0.048	0.47	0.061	0.09	0.965	0.051	0.29	0.31	0.394
Compound_242	OC(=O)c1ccc(o1)C(=O)O	0.243	0.153	0.45	0.309	0.005	0.035	0.702	0.273	0.667	0.029	0.52
Compound_243	C1CCC=CC1	0.944	0.175	0.336	0.612	0.215	0.047	0.991	0.751	0.939	0.999	0.558
Compound_244	COc1ccc(cc1)OC	0.92	0.107	0.808	0.68	0.244	0.168	0.991	0.032	0.605	0.838	0.262
Compound_245	C[C@H]([C@@H](C(=O)O)N)O	0.012	0.118	0.004	0.106	0.027	0.002	0.001	0.009	0.054	0.007	0.106
Compound_246	CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC	0.95	0.011	0.296	0.734	0.217	0.159	0.998	0.631	0.35	0.998	0.876
Compound_247	ClCCOCOCCCl	0.878	0.067	0.535	0.602	0.049	0.043	0.97	0.988	0.927	0.996	0.895
Compound_248	CC(OC(Cl)(C)C)(Cl)C	0.887	0.096	0.461	0.664	0.09	0.049	0.997	0.995	0.742	0.991	0.962
Compound_249	COc1ccc(cc1)N	0.776	0.214	0.927	0.689	0.176	0.683	0.933	0.896	0.917	0.911	0.573
Compound_250	C1CC2CC1C=C2	0.938	0.398	0.155	0.553	0.389	0.034	0.983	0.718	0.45	0.996	0.5
Compound_251	CCCCC(=O)CC	0.944	0.019	0.315	0.548	0.019	0.01	0.987	0.667	0.271	1.0	0.929
Compound_252	ClCC(OC(CCl)C)C	0.912	0.135	0.402	0.64	0.067	0.066	0.998	0.998	0.796	0.988	0.97
Compound_253	COC(=O)CC(=C)C(=O)OC	0.943	0.073	0.274	0.56	0.161	0.02	0.991	0.997	0.72	0.973	0.97
Compound_254	OC1CC(C)(C)N(C(C1)(C)C)C	0.299	0.274	0.012	0.213	0.004	0.11	0.011	0.376	0.258	0.059	0.188
Compound_255	OC(=O)C[C@@H](C(=O)O)N	0.01	0.05	0.019	0.074	0.039	0.006	0.006	0.003	0.214	0.0	0.057
Compound_256	C1CCCOCO1	0.751	0.126	0.225	0.518	0.162	0.107	0.991	0.605	0.702	0.986	0.757
Compound_257	Sc1ccccc1	0.931	0.298	0.863	0.611	0.117	0.231	0.998	0.173	0.972	0.999	0.44
Compound_258	OCC(N(C)C)(C)C	0.104	0.094	0.032	0.233	0.006	0.018	0.041	0.667	0.241	0.003	0.287
Compound_259	N[C@H](C(=O)O)Cc1cnc[nH]1	0.065	0.267	0.046	0.159	0.161	0.705	0.001	0.021	0.091	0.002	0.138
Compound_260	O=N(=O)c1ccc(cc1)N(=O)=O	0.986	0.277	0.935	0.581	0.087	0.629	0.999	0.992	0.681	0.999	0.857
Compound_261	Brc1ccccc1	0.99	0.152	0.84	0.59	0.199	0.175	0.999	0.622	0.982	0.998	0.236
Compound_262	CCCCCCN	0.113	0.023	0.057	0.403	0.009	0.025	0.002	0.033	0.662	0.955	0.223
Compound_263	CC1CNC(=S)N1	0.032	0.274	0.229	0.374	0.018	0.132	0.0	0.358	0.625	0.452	0.363
Compound_264	OC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.69	0.014	0.218	0.664	0.37	0.017	0.948	0.924	0.163	0.354	0.918
Compound_265	NC(=O)C[C@@H](C(=O)O)N	0.01	0.098	0.002	0.109	0.046	0.005	0.001	0.004	0.216	0.0	0.05
Compound_266	CNC(=O)ON=C(SC)C	0.101	0.134	0.201	0.331	0.078	0.02	0.006	0.775	0.565	0.956	0.801
Compound_267	COc1cccc(c1)OC	0.894	0.12	0.83	0.68	0.351	0.017	0.974	0.045	0.621	0.606	0.226
Compound_268	CCN(C(=O)CC(=O)C)CC	0.214	0.139	0.184	0.512	0.015	0.096	0.071	0.067	0.405	0.511	0.561
Compound_269	ON=C1CCCCC1	0.831	0.402	0.72	0.484	0.102	0.336	0.851	0.668	0.483	0.871	0.798
Compound_270	C=CC(OC(=O)C)COC(=O)C	0.9	0.054	0.521	0.744	0.709	0.199	0.997	0.994	0.901	0.976	0.905
Compound_271	Nc1nc(N)nc(n1)Cl	0.479	0.2	0.901	0.549	0.317	0.029	0.022	0.162	0.909	0.312	0.051
Compound_272	c1ccc2c(c1)occ2	0.593	0.516	0.91	0.577	0.013	0.371	0.888	0.128	0.648	0.998	0.863
Compound_273	COP(=O)(NC(=O)C)SC	0.333	0.066	0.222	0.335	0.112	0.105	0.152	0.033	0.705	0.557	0.477
Compound_274	OC(C(Cl)(Cl)Cl)O	0.886	0.061	0.135	0.579	0.021	0.169	0.772	0.063	0.287	0.227	0.958
Compound_275	CN1CCCCC1	0.362	0.191	0.02	0.1	0.005	0.062	0.008	0.047	0.688	0.013	0.02
Compound_276	Clc1ssc(=O)c1Cl	0.912	0.659	0.725	0.56	0.554	0.098	0.997	0.129	0.944	1.0	0.769
Compound_277	CN(c1ccc(cc1)C(c1ccc(c2c1cccc2)Nc1ccccc1)(c1ccc(cc1)N(C)C)O)C	0.664	0.652	0.935	0.508	0.95	0.92	0.935	0.899	0.667	0.776	0.983
Compound_278	N#Cc1ccccc1	0.979	0.231	0.661	0.601	0.278	0.04	0.995	0.564	0.923	0.991	0.834
Compound_279	BrC1(COCOC1)N(=O)=O	0.505	0.395	0.388	0.611	0.156	0.105	0.786	0.993	0.734	0.714	0.65
Compound_280	N#CC(C(=O)N)(Br)Br	0.339	0.139	0.063	0.385	0.659	0.207	0.67	0.643	0.579	0.694	0.801
Compound_281	OCCCN(C)C	0.059	0.041	0.006	0.142	0.011	0.034	0.004	0.115	0.055	0.007	0.132
Compound_282	CCOc1ccc(cc1)O	0.852	0.141	0.822	0.714	0.678	0.559	0.925	0.385	0.777	0.155	0.453
Compound_283	Fc1c[nH]c(=O)[nH]c1=O	0.08	0.382	0.123	0.459	0.092	0.031	0.15	0.037	0.702	0.104	0.918
Compound_284	OCCN1C(C)(C)CC(CC1(C)C)O	0.228	0.425	0.093	0.135	0.007	0.06	0.001	0.074	0.106	0.049	0.112
Compound_285	CN(NC(=O)CCC(=O)O)C	0.011	0.059	0.174	0.186	0.073	0.057	0.017	0.037	0.388	0.009	0.115
Compound_286	Clc1cccc(c1)Cl	0.974	0.153	0.84	0.607	0.239	0.119	0.997	0.765	0.711	0.998	0.087
Compound_287	OC(=O)Cc1ccc(cc1)O	0.062	0.137	0.085	0.308	0.599	0.587	0.968	0.03	0.355	0.008	0.017
Compound_288	CCNc1nc(N)nc(n1)Cl	0.239	0.161	0.657	0.447	0.02	0.022	0.0	0.132	0.775	0.092	0.081
Compound_289	CN1CCNCC1	0.044	0.15	0.002	0.179	0.003	0.0	0.0	0.12	0.345	0.002	0.014
Compound_290	CCCCCCCCOC(=O)C	0.937	0.003	0.182	0.706	0.141	0.061	0.998	0.861	0.94	0.998	0.912
Compound_291	C=CCSSCC=C	0.831	0.123	0.7	0.653	0.442	0.056	0.998	0.996	0.36	1.0	0.918
Compound_292	Oc1ccc(cc1)Cl	0.898	0.17	0.711	0.593	0.312	0.098	0.634	0.118	0.877	0.81	0.648
Compound_293	CNCCCN	0.049	0.121	0.017	0.239	0.007	0.003	0.001	0.014	0.383	0.042	0.264
Compound_294	C[C@@H]1OC(=O)[C@@H](OC1=O)C	0.844	0.203	0.282	0.512	0.02	0.025	0.972	0.679	0.342	0.105	0.097
Compound_295	CN1CN(C)CSC1=S	0.224	0.296	0.012	0.356	0.103	0.457	0.044	0.909	0.933	0.955	0.202
Compound_296	CN(P(=O)(N(C)C)N(C)C)C	0.718	0.067	0.336	0.483	0.332	0.098	0.069	0.262	0.787	0.833	0.544
Compound_297	O=C(C(C)C)OOC(C)(C)C	0.787	0.049	0.114	0.506	0.119	0.03	0.74	0.66	0.134	0.889	0.724
Compound_298	OP(=O)(CN(CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O)O	0.168	0.132	0.003	0.073	0.17	0.166	0.003	0.046	0.438	0.041	0.299
Compound_299	NC(=O)CC[C@@H](C(=O)O)N	0.003	0.01	0.002	0.143	0.017	0.008	0.0	0.001	0.154	0.0	0.02
Compound_300	CCC(CC(=O)CC)C	0.944	0.026	0.186	0.442	0.037	0.01	0.952	0.497	0.225	0.999	0.895
Compound_301	c1cc[n+]2c(c1)c1cccc[n+]1CC2	0.415	0.596	0.684	0.567	0.269	0.746	0.205	0.988	0.9	0.369	0.814
Compound_302	CCCCCC=CC	0.952	0.054	0.331	0.601	0.319	0.019	0.993	0.952	0.97	0.999	0.839
Compound_303	Cc1ccc(cc1)Cl	0.91	0.14	0.756	0.624	0.112	0.118	0.997	0.79	0.73	0.996	0.044
Compound_304	COP(=O)(OC=C(Cl)Cl)OC	0.941	0.401	0.765	0.687	0.147	0.172	0.971	0.999	0.058	0.974	0.743
Compound_305	C=COC1CCCCC1	0.855	0.255	0.149	0.481	0.168	0.183	0.998	0.979	0.556	0.999	0.628
Compound_306	OC(=O)C=Cc1ccccc1	0.849	0.172	0.327	0.354	0.299	0.313	0.992	0.219	0.778	0.295	0.239
Compound_307	C=Cc1ccc(cc1)O	0.934	0.298	0.522	0.665	0.43	0.764	0.749	0.975	0.851	0.659	0.287
Compound_308	NC(=O)c1ccccc1O	0.54	0.375	0.191	0.387	0.03	0.19	0.55	0.003	0.314	0.012	0.242
Compound_309	O=CCc1ccccc1	0.537	0.119	0.654	0.522	0.036	0.252	1.0	0.532	0.854	0.948	0.638
Compound_310	C[n+]1ccc(cc1)c1cc[n+](cc1)C	0.441	0.714	0.805	0.663	0.009	0.769	0.005	0.975	0.695	0.228	0.686
Compound_311	O=CC1CCC=CC1	0.896	0.175	0.353	0.624	0.117	0.256	0.987	0.901	0.809	1.0	0.686
Compound_312	CCOC(=O)CCC(=O)OCC	0.778	0.016	0.526	0.658	0.093	0.069	0.994	0.447	0.331	0.996	0.926
Compound_313	O=N(=O)c1ccccc1N(=O)=O	0.994	0.255	0.912	0.571	0.452	0.05	0.997	0.994	0.706	0.999	0.936
Compound_314	NC(=O)CCCCC(=O)N	0.06	0.001	0.026	0.215	0.007	0.016	0.213	0.013	0.362	0.019	0.141
Compound_315	OC(=O)COc1ccccc1	0.24	0.083	0.169	0.297	0.181	0.021	0.912	0.04	0.244	0.027	0.069
Compound_316	O=Cc1ccccc1C=O	0.951	0.096	0.403	0.548	0.051	0.212	0.995	0.088	0.95	0.843	0.918
Compound_317	Oc1ccc(c(c1)N(=O)=O)N	0.931	0.139	0.898	0.539	0.754	0.189	0.96	0.984	0.759	0.653	0.951
Compound_318	CCCCCCC(=O)C	0.976	0.019	0.255	0.548	0.048	0.024	0.991	0.639	0.576	1.0	0.929
Compound_319	CNC(=O)CSP(=O)(OC)OC	0.19	0.065	0.456	0.364	0.033	0.033	0.008	0.376	0.408	0.128	0.384
Compound_320	N[C@H](C(=O)O)C(C)C	0.01	0.09	0.011	0.119	0.018	0.0	0.001	0.003	0.058	0.005	0.143
Compound_321	CCCSSSC	0.767	0.077	0.453	0.543	0.102	0.044	0.996	0.619	0.705	0.999	0.78
Compound_322	ClN1C(=O)N(C(C1=O)(C)C)Br	0.269	0.401	0.261	0.604	0.065	0.077	0.401	0.993	0.616	0.697	0.583
Compound_323	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_324	CSCC[C@@H](C(=O)O)N	0.01	0.064	0.028	0.191	0.085	0.004	0.001	0.008	0.219	0.002	0.047
Compound_325	CSCCC(C(=O)O)N	0.01	0.064	0.028	0.191	0.085	0.004	0.001	0.008	0.219	0.002	0.047
Compound_326	CNC(=O)CSP(=S)(OC)OC	0.098	0.059	0.456	0.364	0.052	0.022	0.006	0.376	0.43	0.353	0.469
Compound_327	O=C1N(C)CCCN1C	0.157	0.408	0.215	0.485	0.009	0.026	0.002	0.129	0.48	0.122	0.057
Compound_328	CCCCCC(CC)O	0.915	0.036	0.059	0.562	0.066	0.06	0.908	0.61	0.342	0.972	0.523
Compound_329	COc1ccc(cc1)C(=O)O	0.483	0.116	0.241	0.316	0.613	0.65	0.844	0.097	0.383	0.025	0.055
Compound_330	OC(=O)Cc1ccccc1	0.029	0.067	0.135	0.229	0.059	0.031	0.995	0.017	0.26	0.006	0.031
Compound_331	CC(=O)Nc1ccc(cc1)O	0.445	0.337	0.705	0.431	0.512	0.124	0.084	0.128	0.956	0.044	0.177
Compound_332	O=N(=O)c1cc(C)c(c(c1)N(=O)=O)O	0.833	0.082	0.775	0.616	0.752	0.825	0.984	0.99	0.95	0.983	0.918
Compound_333	C=CN1CCN(C1=O)C=C	0.108	0.41	0.179	0.607	0.095	0.04	0.003	0.903	0.519	0.276	0.485
Compound_334	c1ccc2c(c1)[nH]cc2	0.694	0.557	0.971	0.517	0.231	0.666	0.018	0.814	0.971	0.979	0.867
Compound_335	CCC1CCCCC1	0.99	0.113	0.294	0.505	0.123	0.047	0.988	0.845	0.95	1.0	0.5
Compound_336	SCc1ccccc1	0.778	0.175	0.656	0.525	0.091	0.247	0.999	0.569	0.891	0.988	0.613
Compound_337	COC(=O)C=C(OP(=O)(OC)OC)C	0.952	0.196	0.925	0.696	0.275	0.033	0.996	0.995	0.704	0.988	0.647
Compound_338	Clc1ccc(c(n1)C(=O)O)Cl	0.293	0.228	0.458	0.403	0.491	0.274	0.903	0.313	0.741	0.573	0.247
Compound_339	Clc1ccc(cc1)N(=O)=O	0.996	0.124	0.87	0.677	0.399	0.225	1.0	0.965	0.605	0.998	0.886
Compound_340	CC[C@@H]([C@@H](C(=O)O)N)C	0.007	0.022	0.017	0.111	0.013	0.001	0.001	0.003	0.092	0.001	0.035
Compound_341	COC(=O)c1ccccc1OC	0.448	0.157	0.791	0.593	0.055	0.018	0.067	0.011	0.822	0.195	0.129
Compound_342	O=C(C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C)Nc1cc(Cl)c(cc1Cl)NC(=O)C(C(=O)C)N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C	0.602	0.666	0.996	0.778	0.832	0.733	0.913	0.808	0.436	0.997	0.683
Compound_343	CC(Nc1nc(N)nc(n1)Cl)C	0.224	0.175	0.701	0.464	0.026	0.063	0.0	0.09	0.574	0.037	0.025
Compound_344	OC(=O)C1C2CCC(C1C(=O)O)O2	0.586	0.253	0.023	0.181	0.251	0.059	0.555	0.335	0.95	0.01	0.214
Compound_345	Nc1nc(NC2CC2)nc(n1)N	0.171	0.378	0.542	0.409	0.044	0.098	0.0	0.069	0.721	0.266	0.334
Compound_346	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_347	CC(=O)Oc1ccccc1C(=O)O	0.19	0.161	0.123	0.25	0.204	0.011	0.029	0.029	0.691	0.14	0.087
Compound_348	CCCCCC(=O)OCCC	0.75	0.003	0.465	0.725	0.06	0.028	0.987	0.567	0.151	0.998	0.912
Compound_349	C=CC1CCCCC1	0.966	0.216	0.139	0.644	0.363	0.033	0.995	0.892	0.937	0.999	0.523
Compound_350	NCCN(CC)CC	0.032	0.188	0.005	0.16	0.007	0.002	0.0	0.04	0.206	0.663	0.163
Compound_351	Cc1ccc(cc1)C(=O)C	0.85	0.133	0.797	0.538	0.028	0.266	0.886	0.429	0.406	0.971	0.389
Compound_352	CN(CCCN(C)C)C	0.256	0.265	0.005	0.127	0.015	0.027	0.014	0.126	0.483	0.03	0.238
Compound_353	ClC(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)Cl	0.856	0.13	0.352	0.665	0.608	0.555	0.846	0.995	0.127	0.998	0.642
Compound_354	N[C@H](C(=O)O)CC(C)C	0.007	0.026	0.132	0.141	0.011	0.0	0.001	0.004	0.039	0.001	0.015
Compound_355	CCNC(=O)NC(=O)C(=NOC)C#N	0.075	0.159	0.281	0.329	0.146	0.116	0.0	0.221	0.445	0.059	0.477
Compound_356	Oc1ccc(c(c1)C)Cl	0.815	0.118	0.786	0.652	0.42	0.057	0.408	0.097	0.755	0.989	0.734
Compound_357	C=CC(=O)Oc1c(cc(cc1C(C)(C)C)C)Cc1cc(C)cc(c1O)C(C)(C)C	0.702	0.54	0.737	0.589	0.971	0.976	0.249	0.995	0.94	0.912	0.188
Compound_358	CC(=O)OCCOCCOCCOC(=O)C	0.801	0.011	0.24	0.636	0.156	0.059	0.912	0.166	0.92	0.991	0.881
Compound_359	CCCSSCCC	0.752	0.06	0.397	0.531	0.102	0.044	0.996	0.323	0.831	1.0	0.824
Compound_360	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_361	Oc1ccc2c(c1)OCO2	0.853	0.57	0.935	0.632	0.538	0.165	0.962	0.311	0.639	0.633	0.657
Compound_362	OCCCCCCCCCO	0.928	0.166	0.115	0.517	0.13	0.168	0.92	0.319	0.086	0.333	0.612
Compound_363	COc1ccc(cc1)C(=O)C	0.866	0.155	0.823	0.688	0.197	0.924	0.932	0.034	0.631	0.485	0.284
Compound_364	CCCCCOC(=O)CCCCC	0.734	0.003	0.251	0.736	0.06	0.028	0.987	0.649	0.645	0.998	0.912
Compound_365	O=Cc1ccc(cc1C)C	0.87	0.078	0.668	0.558	0.029	0.206	0.988	0.102	0.969	0.963	0.577
Compound_366	CCCc1cc(=O)[nH]c(=S)[nH]1	0.309	0.397	0.114	0.41	0.135	0.181	0.38	0.021	0.92	0.061	0.725
Compound_367	Clc1cccc2c1[nH]c1cc3c(cc1c2=O)[nH]c1c(c3=O)cccc1Cl	0.622	0.632	0.851	0.454	0.83	0.586	0.999	0.259	0.806	0.464	0.998
Compound_368	FC(N1C(F)(F)C(F)(F)OC(C1(F)F)(F)F)(F)F	0.55	0.31	0.297	0.352	0.194	0.02	0.338	0.997	0.333	0.944	0.457
Compound_369	COC(=O)Cc1ccccc1	0.267	0.159	0.48	0.551	0.027	0.016	0.997	0.647	0.445	0.164	0.155
Compound_370	CS(=O)(=O)OCCCCOS(=O)(=O)C	0.817	0.053	0.204	0.516	0.023	0.099	0.998	0.174	0.253	0.99	0.283
Compound_371	N#Cc1c(Cl)cccc1Cl	0.98	0.127	0.768	0.673	0.752	0.081	0.992	0.835	0.662	0.994	0.891
Compound_372	COC(=O)C(=O)c1ccccc1	0.5	0.154	0.624	0.545	0.007	0.103	0.987	0.733	0.353	0.28	0.232
Compound_373	Clc1cc(N)c(c(c1)C(=O)O)Cl	0.368	0.38	0.483	0.41	0.521	0.098	0.965	0.43	0.54	0.2	0.73
Compound_374	COc1cc(C=O)ccc1OC	0.554	0.159	0.483	0.6	0.179	0.413	0.632	0.011	0.539	0.64	0.373
Compound_375	CNC(=O)ON=C(C(=O)N(C)C)SC	0.061	0.127	0.268	0.329	0.067	0.017	0.002	0.682	0.434	0.947	0.744
Compound_376	O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2	0.708	0.63	0.873	0.472	0.759	0.848	0.964	0.287	0.689	0.276	0.588
Compound_377	ClCCOP(=O)(OCCCl)OCCCl	0.938	0.305	0.64	0.646	0.092	0.061	0.895	0.996	0.797	0.978	0.81
Compound_378	O=C=Nc1ccc(cc1)Cl	0.851	0.587	0.862	0.694	0.347	0.474	0.999	0.897	0.792	0.97	0.795
Compound_379	BrCC(=O)c1ccc(cc1)O	0.947	0.174	0.667	0.737	0.895	0.923	0.981	0.988	0.703	0.086	0.843
Compound_380	CN1CCC[C@H]1c1cccnc1	0.058	0.488	0.017	0.134	0.014	0.287	0.001	0.01	0.346	0.002	0.062
Compound_381	Cc1ccc(c(c1O)C)C	0.613	0.084	0.315	0.587	0.164	0.126	0.463	0.915	0.911	0.982	0.43
Compound_382	CCCCOC(=O)CCCC	0.694	0.005	0.251	0.736	0.078	0.02	0.994	0.649	0.531	0.998	0.901
Compound_383	CC(=O)C=Cc1ccccc1	0.938	0.21	0.874	0.753	0.043	0.098	0.795	0.592	0.976	0.999	0.5
Compound_384	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.959	0.065	0.855	0.644	0.268	0.06	0.983	0.182	0.292	1.0	0.9
Compound_385	Brc1ccc(c(c1)Br)O	0.976	0.134	0.354	0.527	0.67	0.722	0.991	0.772	0.45	0.996	0.929
Compound_386	CCOC(=O)c1ccc(cc1)O	0.619	0.148	0.987	0.715	0.872	0.915	0.829	0.022	0.741	0.031	0.128
Compound_387	Clc1ccc(c(c1)Cl)N(=O)=O	0.999	0.122	0.833	0.706	0.378	0.123	0.999	0.982	0.757	0.999	0.936
Compound_388	O=C1OC(=O)c2c1c(Cl)ccc2	0.859	0.105	0.881	0.625	0.553	0.255	0.996	0.263	0.536	0.373	0.649
Compound_389	OS(=O)(=O)CCCN1CCOCC1	0.037	0.317	0.014	0.067	0.065	0.194	0.049	0.056	0.352	0.671	0.438
Compound_390	OC(=O)COc1nc(F)c(c(c1Cl)N)Cl	0.344	0.381	0.558	0.307	0.215	0.15	0.801	0.046	0.305	0.066	0.341
Compound_391	N#CCCCCCCC#N	0.982	0.235	0.183	0.53	0.408	0.136	0.987	0.975	0.764	0.992	0.883
Compound_392	O=C1OC(=O)C2C1C(C)C=CC2	0.731	0.171	0.275	0.63	0.313	0.044	0.981	0.98	0.887	0.901	0.445
Compound_393	OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O	0.609	0.079	0.051	0.377	0.05	0.078	0.038	0.041	0.095	0.302	0.075
Compound_394	Clc1ccc2c(c1)C(=O)OC2=O	0.801	0.105	0.982	0.647	0.427	0.159	0.994	0.077	0.537	0.373	0.649
Compound_395	FC(=C(F)F)OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F	0.893	0.314	0.899	0.644	0.332	0.031	0.908	0.982	0.388	0.993	0.969
Compound_396	C#CC(CCC=C(C)C)(O)C	0.77	0.188	0.104	0.446	0.152	0.215	0.06	0.825	0.511	0.397	0.679
Compound_397	OC[C@H]([C@H]([C@H](C=O)O)O)O	0.287	0.076	0.046	0.358	0.061	0.494	0.011	0.012	0.088	0.065	0.103
Compound_398	COc1c(Cl)ccc(c1C(=O)O)Cl	0.243	0.178	0.333	0.389	0.763	0.526	0.166	0.027	0.472	0.64	0.245
Compound_399	CCOC(=O)Cc1ccccc1	0.316	0.135	0.615	0.63	0.042	0.033	0.998	0.429	0.283	0.882	0.659
Compound_400	CCCCOC(=O)OOC(=O)OCCCC	0.802	0.033	0.136	0.624	0.149	0.102	0.988	0.328	0.795	0.924	0.458
Compound_401	c1scc(n1)c1nc2c([nH]1)cccc2	0.449	0.77	0.894	0.487	0.424	0.712	0.291	0.121	0.613	0.705	0.588
Compound_402	OCC1CCC(CC1)CO	0.861	0.145	0.065	0.498	0.14	0.129	0.908	0.082	0.337	0.116	0.239
Compound_403	FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F	0.702	0.114	0.182	0.741	0.204	0.19	0.941	0.871	0.338	0.889	0.205
Compound_404	FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(F)F)F	0.774	0.12	0.55	0.726	0.093	0.051	0.977	0.233	0.34	0.997	0.251
Compound_405	Cc1cc(C)c(c(c1)O)C	0.7	0.084	0.946	0.633	0.15	0.106	0.651	0.993	0.947	0.982	0.43
Compound_406	OC(=O)[C@H]1[C@H]2[C@]3([C@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O	0.89	0.819	0.009	0.262	0.964	0.675	0.101	0.984	0.427	0.895	0.601
Compound_407	CCS(=O)CCSP(=O)(OC)OC	0.827	0.063	0.537	0.62	0.107	0.094	0.854	0.371	0.336	0.993	0.458
Compound_408	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C	0.256	0.398	0.122	0.254	0.121	0.583	0.018	0.1	0.321	0.407	0.396
Compound_409	CCOc1snc(n1)C(Cl)(Cl)Cl	0.779	0.466	0.059	0.621	0.095	0.539	0.446	0.62	0.039	0.069	0.69
Compound_410	CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC	0.962	0.005	0.231	0.786	0.101	0.077	0.998	0.068	0.329	0.982	0.887
Compound_411	CCCSSSCCC	0.742	0.048	0.428	0.535	0.102	0.044	0.996	0.5	0.831	1.0	0.783
Compound_412	CNC(=O)ON=CC(SC)(C)C	0.149	0.09	0.004	0.293	0.064	0.027	0.001	0.131	0.441	0.311	0.745
Compound_413	O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2	0.976	0.492	0.256	0.428	0.216	0.101	0.035	0.064	0.176	0.972	0.417
Compound_414	N#Cc1cc(Br)c(c(c1)Br)O	0.966	0.139	0.585	0.685	0.685	0.898	0.974	0.952	0.551	0.959	0.973
Compound_415	CSc1nnc(c(=O)n1N)C(C)(C)C	0.281	0.502	0.383	0.452	0.227	0.227	0.094	0.079	0.436	0.049	0.22
Compound_416	CCNc1nc(NCC)nc(n1)Cl	0.361	0.224	0.703	0.452	0.02	0.022	0.0	0.086	0.783	0.115	0.069
Compound_417	CCCCCCCCCC(=O)C	0.979	0.019	0.255	0.548	0.048	0.024	0.991	0.639	0.588	1.0	0.929
Compound_418	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_419	Clc1cc(Cl)c(c(c1)Cl)N	0.93	0.218	0.933	0.615	0.162	0.149	0.997	0.545	0.832	0.992	0.399
Compound_420	C=CCCCCCCCCC(=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_421	CCNc1nc(NC(C)C)nc(n1)Cl	0.343	0.21	0.657	0.394	0.042	0.083	0.0	0.087	0.511	0.253	0.06
Compound_422	COC(=O)Nc1nc2c([nH]1)cccc2	0.217	0.526	0.907	0.463	0.365	0.765	0.118	0.428	0.554	0.311	0.864
Compound_423	C=COC(=O)CCCCC(C)(C)C	0.804	0.026	0.341	0.565	0.214	0.026	0.973	0.987	0.153	0.996	0.74
Compound_424	O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C	0.822	0.226	0.418	0.578	0.093	0.098	0.985	0.19	0.401	0.541	0.56
Compound_425	Cc1cc(N)c(cc1C)C	0.554	0.222	0.984	0.554	0.101	0.11	0.994	0.749	1.001	0.956	0.41
Compound_426	COc1ccc(cc1)CC(=O)C	0.472	0.138	0.753	0.693	0.102	0.537	0.98	0.109	0.597	0.302	0.176
Compound_427	CCC(c1ccccc1)C	0.709	0.119	0.309	0.514	0.058	0.029	0.949	0.61	0.653	0.997	0.216
Compound_428	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_429	COP(=S)(Oc1ccc(cc1)N(=O)=O)OC	0.999	0.619	0.979	0.775	0.876	0.173	0.995	0.894	0.139	0.414	0.722
Compound_430	CC(C1CCCCC1)C	0.99	0.111	0.175	0.495	0.134	0.025	0.916	0.753	0.915	0.995	0.281
Compound_431	CC(=C)C1CCC(CC1)(C)O	0.926	0.158	0.061	0.511	0.258	0.046	0.157	0.857	0.412	0.905	0.855
Compound_432	CCc1ccc(c(c1)OC)O	0.759	0.098	0.591	0.689	0.484	0.075	0.966	0.34	0.528	0.924	0.539
Compound_433	C=C1C2CCC(C1(C)C)C2	0.988	0.451	0.29	0.511	0.491	0.057	0.487	0.972	0.839	0.987	0.88
Compound_434	COc1ccc(cc1)CCC(=O)C	0.681	0.205	0.501	0.688	0.106	0.529	0.98	0.387	0.556	0.224	0.2
Compound_435	CCCCCCCCCOC(=O)C	0.943	0.003	0.182	0.706	0.141	0.061	0.998	0.861	0.94	0.998	0.912
Compound_436	O=CCC(CCC=C(C)C)C	0.921	0.013	0.387	0.568	0.088	0.068	0.921	0.975	0.615	0.998	0.956
Compound_437	OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.795	0.014	0.248	0.812	0.318	0.023	0.86	0.873	0.1	0.354	0.918
Compound_438	O=COCCC(CCC=C(C)C)C	0.904	0.021	0.463	0.633	0.139	0.074	0.96	0.909	0.612	0.999	0.94
Compound_439	N#Cc1ccc(c(c1)O)O	0.946	0.176	0.59	0.673	0.812	0.118	0.902	0.989	0.336	0.366	0.874
Compound_440	Clc1ccc(cc1)C(Cl)(Cl)Cl	0.919	0.173	0.744	0.698	0.48	0.799	0.991	0.965	0.107	0.997	0.158
Compound_441	OCCCNC(=O)[C@@H](C(CO)(C)C)O	0.008	0.022	0.005	0.283	0.013	0.027	0.001	0.036	0.253	0.002	0.015
Compound_442	CC(Cc1ccccc1)(O)C	0.116	0.101	0.294	0.512	0.05	0.052	0.876	0.41	0.529	0.167	0.122
Compound_443	CCCCNC(=O)OCC#CI	0.062	0.166	0.111	0.372	0.106	0.898	0.006	0.986	0.392	0.527	0.918
Compound_444	O=C(Nc1cnns1)Nc1ccccc1	0.628	0.465	0.965	0.676	0.267	0.898	0.02	0.589	0.794	0.311	0.346
Compound_445	C=CCOC(=O)COc1ccccc1	0.424	0.217	0.921	0.751	0.137	0.025	0.922	0.99	0.468	0.988	0.286
Compound_446	OC(=O)[C@H](Cc1ccc(cc1)O)N	0.113	0.133	0.018	0.191	0.126	0.206	0.005	0.01	0.134	0.0	0.001
Compound_447	Nc1cccc2c1cccc2N	0.978	0.81	0.99	0.719	0.203	0.299	0.988	0.995	0.887	0.997	0.993
Compound_448	CCSCSP(=S)(OCC)OCC	0.712	0.029	0.868	0.52	0.405	0.244	0.975	0.226	0.202	0.999	0.815
Compound_449	CCCCCCC=CC(=O)C	0.989	0.037	0.271	0.626	0.348	0.059	0.958	0.636	0.998	1.0	0.944
Compound_450	CCN(c1nc(=O)cc([nH]1)C)CC	0.122	0.423	0.181	0.436	0.226	0.078	0.001	0.092	0.556	0.178	0.357
Compound_451	CNC(=O)Oc1cc(C)c(c(c1)C)SC	0.22	0.692	0.539	0.435	0.166	0.358	0.021	0.884	0.48	0.223	0.276
Compound_452	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1c(Cl)nc2n1cccc2	0.435	0.358	0.096	0.248	0.526	0.643	0.095	0.493	0.327	0.206	0.436
Compound_453	OCc1ccc(cc1Cl)Cl	0.704	0.079	0.714	0.68	0.553	0.253	0.913	0.668	0.282	0.933	0.761
Compound_454	CC(=C)[C@@H]1CC=C(C(=O)C1)C	0.933	0.367	0.549	0.639	0.113	0.047	0.447	0.991	0.715	0.997	0.874
Compound_455	CCC(N(=O)=O)CN1CCOCC1	0.095	0.326	0.047	0.22	0.058	0.128	0.003	0.44	0.315	0.182	0.49
Compound_456	OC(C[n+]1ccccc1)CS(=O)(=O)[O-]	0.1	0.377	0.055	0.444	0.023	0.352	0.365	0.468	0.361	0.13	0.375
Compound_457	CN(CCN1CCN(CC1)C)C	0.14	0.317	0.006	0.129	0.014	0.01	0.002	0.647	0.551	0.011	0.016
Compound_458	NCCc1ccc(cc1)O	0.143	0.163	0.122	0.414	0.084	0.696	0.002	0.055	0.338	0.002	0.058
Compound_459	COP(=O)(OC(C(Br)(Cl)Cl)Br)OC	0.952	0.222	0.706	0.697	0.106	0.292	0.969	0.989	0.417	0.884	0.918
Compound_460	CCSC(=O)N1CCCCCC1	0.252	0.274	0.38	0.641	0.233	0.278	0.083	0.685	0.308	0.995	0.416
Compound_461	C=COCC1CCC(CC1)COC=C	0.899	0.177	0.073	0.444	0.316	0.196	0.998	0.408	0.577	0.999	0.862
Compound_462	CC1=CC[C@H](CC1)C(=C)C	0.949	0.23	0.666	0.595	0.195	0.03	0.94	0.952	0.909	0.997	0.791
Compound_463	CC1=CCC(CC1)C(=C)C	0.949	0.23	0.666	0.595	0.195	0.03	0.94	0.952	0.909	0.997	0.791
Compound_464	CC1=CC[C@@H](CC1)C(=C)C	0.949	0.23	0.666	0.595	0.195	0.03	0.94	0.952	0.909	0.997	0.791
Compound_465	O=c1c2cccc3c2c(c2n1c1cccc4c1c(n2)ccc4)ccc3	0.725	0.686	0.938	0.478	0.679	0.859	0.827	0.279	0.604	0.699	0.208
Compound_466	CC(OC(=O)c1ccc(cc1)O)C	0.598	0.104	0.94	0.698	0.853	0.898	0.764	0.058	0.914	0.026	0.027
Compound_467	CCCCCCCCOC(=O)CCC	0.899	0.003	0.251	0.736	0.107	0.03	0.997	0.649	0.647	0.998	0.912
Compound_468	CCC(OOC(C)(C)C)(OOC(C)(C)C)C	0.772	0.042	0.077	0.504	0.104	0.049	0.971	0.152	0.534	0.934	0.607
Compound_469	CCCOC(=O)c1ccc(cn1)C(=O)OCCC	0.206	0.246	0.96	0.62	0.048	0.109	0.034	0.151	0.194	0.128	0.5
Compound_470	N#CC=C(CCC=C(C)C)C	0.871	0.117	0.517	0.513	0.334	0.017	0.946	0.931	0.914	0.888	0.93
Compound_471	N[C@H](C(=O)O)CSSC[C@@H](C(=O)O)N	0.062	0.075	0.02	0.19	0.129	0.016	0.001	0.008	0.053	0.027	0.087
Compound_472	c1ccc2c(c1)oc1c2cccc1	0.659	0.68	0.976	0.623	0.082	0.702	0.984	0.33	0.648	0.999	0.934
Compound_473	OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl	0.158	0.455	0.885	0.375	0.564	0.391	0.632	0.315	0.666	0.317	0.208
Compound_474	CCOCCOCCOCCOC(=O)C(=C)C	0.969	0.165	0.343	0.672	0.582	0.114	0.991	0.601	0.648	1.0	0.952
Compound_475	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_476	CSC(=O)c1cccc2c1snn2	0.624	0.658	0.943	0.525	0.626	0.624	0.985	0.036	0.335	0.355	0.59
Compound_477	CCCCOC(=O)c1ccccc1C(=O)O	0.679	0.109	0.266	0.412	0.105	0.066	0.984	0.057	0.578	0.132	0.552
Compound_478	Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C	0.283	0.496	0.399	0.484	0.301	0.098	0.686	0.026	0.788	0.573	0.611
Compound_479	CNC(=O)N(c1nnc(s1)C(C)(C)C)C	0.175	0.456	0.27	0.371	0.055	0.45	0.001	0.782	0.423	0.06	0.303
Compound_480	COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl	0.481	0.368	0.889	0.267	0.368	0.618	0.062	0.225	0.394	0.9	0.524
Compound_481	CC(OC(=O)Nc1cccc(c1)Cl)C	0.901	0.452	0.972	0.82	0.614	0.294	0.988	0.779	0.496	0.518	0.223
Compound_482	CC1=CCC(CC1)(O)C(C)C	0.892	0.224	0.118	0.505	0.231	0.059	0.061	0.769	0.445	0.94	0.855
Compound_483	Brc1cc2c3c4c1cccc4c(=O)c1c3c3c(c2=O)cccc3c(c1)Br	0.963	0.697	0.977	0.585	0.651	0.68	0.994	0.879	0.537	0.964	0.993
Compound_484	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_485	Ic1cc(Cl)c2c(c1O)nccc2	0.722	0.614	0.818	0.274	0.565	0.898	0.076	0.561	0.511	0.998	0.963
Compound_486	CCC(c1ccccc1)(C)C	0.834	0.099	0.49	0.557	0.127	0.1	0.901	0.144	0.774	0.997	0.271
Compound_487	C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C	0.919	0.22	0.051	0.419	0.093	0.025	0.79	0.156	0.373	0.887	0.136
Compound_488	CC1CCC(C(C1)O)C(C)C	0.919	0.22	0.051	0.419	0.093	0.025	0.79	0.156	0.373	0.887	0.136
Compound_489	C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C	0.919	0.22	0.051	0.419	0.093	0.025	0.79	0.156	0.373	0.887	0.136
Compound_490	CSc1nc(NC2CC2)nc(n1)NC(C)(C)C	0.806	0.32	0.73	0.374	0.071	0.168	0.001	0.023	0.495	0.817	0.518
Compound_491	OCC1=CCC(CC1)C(=C)C	0.87	0.298	0.193	0.566	0.258	0.094	0.215	0.783	0.378	0.135	0.785
Compound_492	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_493	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_494	O=C(Oc1ccccc1)Oc1ccccc1	0.866	0.72	0.833	0.688	0.566	0.446	0.992	0.762	0.907	0.646	0.163
Compound_495	CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.992	0.135	0.605	0.695	0.442	0.057	0.999	0.523	0.223	1.0	0.855
Compound_496	COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC	0.5	0.403	0.072	0.389	0.595	0.632	0.813	0.743	0.106	0.087	0.648
Compound_497	CC(CCc1ccccc1)(O)C	0.593	0.113	0.214	0.523	0.079	0.077	0.528	0.357	0.44	0.039	0.087
Compound_498	CCOC(=O)Nc1cccc(c1)OC(=O)Nc1ccccc1	0.532	0.783	0.985	0.795	0.669	0.898	0.67	0.836	0.234	0.052	0.603
Compound_499	CCCCCCCCCCCC(=O)OC=C	0.897	0.008	0.341	0.615	0.203	0.028	0.997	0.979	0.149	1.0	0.905
Compound_500	NCCCNCCCN(C)C	0.044	0.178	-0.0	0.181	0.014	0.007	0.001	0.722	0.187	0.042	0.187
Compound_501	O=C(Nc1ccnc(c1)Cl)Nc1ccccc1	0.519	0.744	0.973	0.701	0.67	0.566	0.106	0.946	0.677	0.549	0.453
Compound_502	O1CCN(CC1)CN1CCOCC1	0.109	0.274	0.07	0.083	0.054	0.019	0.005	0.22	0.288	0.638	0.156
Compound_503	CCSCCSP(=S)(OCC)OCC	0.746	0.03	0.864	0.534	0.319	0.063	0.983	0.087	0.181	0.999	0.852
Compound_504	CC(Nc1nc(NC(C)C)nc(n1)Cl)C	0.343	0.212	0.744	0.472	0.052	0.088	0.0	0.054	0.582	0.263	0.042
Compound_505	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(F)(F)F	0.283	0.312	0.152	0.337	0.192	0.61	0.465	0.933	0.294	0.04	0.46
Compound_506	OC(=O)CSc1nc2c(s1)cccc2	0.832	0.488	0.667	0.421	0.571	0.701	0.99	0.521	0.593	0.008	0.395
Compound_507	CCC(=O)Nc1ccc(c(c1)Cl)Cl	0.941	0.396	0.973	0.747	0.225	0.753	0.999	0.701	0.454	0.92	0.41
Compound_508	NCCCCCCCCCCN	0.321	0.035	0.057	0.386	0.04	0.087	0.002	0.004	0.486	0.103	0.259
Compound_509	CCCC(=O)OCCc1ccccc1	0.463	0.088	0.402	0.692	0.085	0.042	0.991	0.711	0.744	0.995	0.611
Compound_510	CC(C(=O)OCc1ccccc1)C	0.357	0.104	0.557	0.568	0.062	0.036	0.98	0.871	0.143	0.39	0.286
Compound_511	ClCC(=O)N(c1ccccc1)C(C)C	0.952	0.349	0.547	0.633	0.905	0.111	0.976	0.976	0.475	0.662	0.918
Compound_512	O=C=NCc1cccc(c1)CN=C=O	0.453	0.298	0.863	0.564	0.019	0.438	0.339	0.464	0.748	0.935	0.634
Compound_513	CCC=C1OC(=O)c2c1cccc2	0.7	0.254	0.513	0.629	0.081	0.091	0.993	0.786	0.566	0.995	0.51
Compound_514	COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F	0.462	0.412	0.071	0.443	0.423	0.616	0.403	0.948	0.303	0.864	0.683
Compound_515	COC(=O)CCCCCCCCC(=O)OC	0.912	0.002	0.296	0.58	0.057	0.013	0.985	0.948	0.196	0.913	0.84
Compound_516	OC(=O)[C@H](Oc1ccc(cc1C)Cl)C	0.052	0.098	0.36	0.475	0.065	0.051	0.112	0.044	0.204	0.882	0.159
Compound_517	N#CSCSc1nc2c(s1)cccc2	0.952	0.588	0.746	0.583	0.55	0.682	0.996	0.873	0.95	0.983	0.918
Compound_518	Cc1ccc(c2c1cccc2)C	0.946	0.549	0.932	0.618	0.109	0.095	0.968	0.991	0.958	0.998	0.918
Compound_519	CCNc1nc(Cl)nc(n1)NC(C)(C)C	0.346	0.274	0.716	0.395	0.025	0.075	0.0	0.11	0.495	0.541	0.072
Compound_520	CN(c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.932	0.294	0.931	0.569	0.554	0.256	0.962	0.951	0.663	0.987	0.838
Compound_521	BrCC(=O)OCC=CCOC(=O)CBr	0.924	0.145	0.487	0.704	0.829	0.286	0.998	0.988	0.811	1.0	0.99
Compound_522	COCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.388	0.295	0.016	0.297	0.011	0.152	0.002	0.181	0.419	0.057	0.257
Compound_523	CC(c1ccc(cc1)S(=O)(=O)O)C	0.546	0.302	0.686	0.344	0.906	0.257	0.949	0.046	0.25	0.548	0.054
Compound_524	CCN(C(=O)SCC)C1CCCCC1	0.326	0.338	0.239	0.617	0.089	0.454	0.067	0.527	0.219	0.997	0.331
Compound_525	CCCSP(=O)(SCCC)OCC	0.899	0.07	0.892	0.551	0.162	0.112	0.999	0.154	0.419	0.999	0.826
Compound_526	c1ccc2c(c1)sc1c2cccc1	0.951	0.745	0.976	0.623	0.509	0.381	0.996	0.33	0.981	0.999	0.087
Compound_527	CCOP(=S)(OC(C(Cl)(Cl)Cl)Cl)OCC	0.924	0.229	0.892	0.683	0.292	0.378	0.996	0.957	0.219	0.994	0.721
Compound_528	CC(OC(=S)SSC(=S)OC(C)C)C	0.763	0.132	0.271	0.532	0.337	0.648	0.998	0.809	0.862	0.999	0.75
Compound_529	COc1nc(NC(C)C)nc(n1)NC(C)C	0.526	0.077	0.734	0.435	0.019	0.088	0.0	0.008	0.545	0.763	0.334
Compound_530	OC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.706	0.556	0.1	0.488	0.839	0.366	0.817	0.957	0.338	0.908	0.844
Compound_531	c1ccc(cc1)N=Nc1ccccc1	0.995	0.825	0.984	0.687	0.598	0.904	0.999	0.936	0.973	0.994	0.906
Compound_532	O=C(NS(=O)(=O)c1ccccc1C(=O)OC1COC1)Nc1nc(C)cc(n1)C	0.315	0.358	0.423	0.302	0.518	0.694	0.055	0.077	0.268	0.003	0.5
Compound_533	CC(COC(=O)CCc1ccco1)C	0.428	0.141	0.293	0.558	0.038	0.128	0.957	0.902	0.39	0.953	0.633
Compound_534	CNC(=O)Oc1cccc2c1cccc2	0.483	0.8	0.889	0.349	0.176	0.098	0.427	0.996	0.738	0.474	0.263
Compound_535	COC(=O)N(C(=O)N1CO[C@@]2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F	0.952	0.889	0.87	0.731	0.852	0.743	0.95	0.609	0.407	0.11	0.564
Compound_536	CCCCC(COC(=O)CCS)CC	0.702	0.043	0.047	0.663	0.157	0.207	0.994	0.324	0.624	0.992	0.804
Compound_537	CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C	0.276	0.288	0.685	0.473	0.614	0.295	0.003	0.056	0.725	0.074	0.611
Compound_538	Cc1cnc(c(c1)C(=O)O)C1=NC(=O)C(N1)(C)C(C)C	0.267	0.162	0.405	0.383	0.009	0.082	0.001	0.051	0.337	0.018	0.097
Compound_539	OC(Cc1ccccc1)CC(C)C	0.204	0.08	0.494	0.515	0.045	0.076	0.587	0.387	0.252	0.162	0.073
Compound_540	CC(OC(=O)CCCCC(=O)OC(C)C)C	0.659	0.017	0.232	0.543	0.059	0.027	0.972	0.158	0.361	0.826	0.767
Compound_541	CCNc1nc(nc(n1)Cl)NC(C#N)(C)C	0.318	0.284	0.561	0.462	0.068	0.105	0.0	0.18	0.511	0.399	0.201
Compound_542	COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C	0.406	0.378	0.101	0.198	0.105	0.61	0.019	0.03	0.372	0.22	0.425
Compound_543	c1ccc(cc1)NNc1ccccc1	0.702	0.79	0.896	0.65	0.377	0.872	0.997	0.845	0.699	0.984	0.5
Compound_544	CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC	0.986	0.714	0.989	0.71	0.895	0.194	0.993	0.517	0.058	0.591	0.649
Compound_545	NCCCOCCCCOCCCN	0.125	0.096	0.026	0.356	0.036	0.052	0.005	0.004	0.284	0.049	0.346
Compound_546	CCC(OOC(CC)(C)C)(OOC(CC)(C)C)C	0.772	0.042	0.023	0.504	0.103	0.044	0.974	0.122	0.689	0.934	0.607
Compound_547	O=C1OCCN1N=Cc1ccc(o1)N(=O)=O	0.063	0.419	0.636	0.539	0.526	0.545	0.042	0.98	0.385	0.526	0.194
Compound_548	C=CC(OC(=O)C(C)C)(CCC=C(C)C)C	0.912	0.022	0.193	0.695	0.447	0.032	0.677	1.0	0.175	0.989	0.871
Compound_549	OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N	0.138	0.389	0.426	0.236	0.256	0.597	0.125	0.301	0.053	0.002	0.132
Compound_550	CC(=O)OC(C1CCC(=CC1)C)(C)C	0.894	0.167	0.488	0.571	0.315	0.03	0.52	0.917	0.76	1.0	0.676
Compound_551	N#CCNC(=O)c1cnccc1C(F)(F)F	0.121	0.476	0.152	0.271	0.06	0.057	0.032	0.606	0.501	0.003	0.756
Compound_552	O1COC2C(C1)Cc1c2cccc1	0.559	0.548	0.659	0.527	0.177	0.589	0.16	0.115	0.491	0.944	0.853
Compound_553	COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F	0.681	0.218	0.038	0.348	0.419	0.098	0.166	0.146	0.408	0.139	0.464
Compound_554	CCCOC(=O)c1cc(O)c(c(c1)O)O	0.759	0.223	0.946	0.643	0.905	0.158	0.462	0.899	0.434	0.852	0.367
Compound_555	O=Nc1ccc(cc1)Nc1ccccc1	0.976	0.674	0.989	0.638	0.385	0.876	0.996	0.987	0.95	1.0	0.979
Compound_556	O=P1Oc2ccccc2c2c1cccc2	0.738	0.734	0.949	0.731	0.536	0.08	0.708	0.819	0.913	0.996	0.798
Compound_557	CCCCCCCCCCOC(=O)C(=C)C	0.993	0.054	0.12	0.749	0.47	0.063	0.998	0.967	0.933	1.0	0.973
Compound_558	COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC	0.891	0.457	0.982	0.748	0.236	0.106	0.997	0.94	0.911	0.776	0.576
Compound_559	NCCCCCCCCCCCC(=O)O	0.058	0.056	0.048	0.065	0.031	0.018	0.001	0.0	0.043	0.001	0.041
Compound_560	CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.053	0.221	0.276	0.543	0.086	0.066	0.097	0.093	0.094	0.533	0.087
Compound_561	N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl	0.925	0.165	0.605	0.63	0.905	0.599	0.994	0.957	0.95	0.994	0.918
Compound_562	CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C	0.288	0.13	0.51	0.533	0.303	0.15	0.052	0.916	0.486	0.962	0.918
Compound_563	CCC1(C(=O)NC(=O)NC1=O)c1ccccc1	0.168	0.38	0.205	0.24	0.051	0.09	0.003	0.049	0.058	0.001	0.087
Compound_564	COc1cc(NS(=O)(=O)c2ccc(cc2)C)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.511	0.472	0.45	0.341	0.715	0.552	0.941	0.491	0.397	0.026	0.327
Compound_565	CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C	0.955	0.427	0.992	0.88	0.439	0.675	0.867	0.654	0.511	0.934	0.648
Compound_566	COP(=S)(Oc1ccc(c(c1)C)N(=O)=O)OC	0.971	0.664	0.968	0.795	0.852	0.147	0.995	0.919	0.61	0.864	0.787
Compound_567	CCOc1cc(ccc1C)C(C)C	0.174	0.151	0.809	0.573	0.162	0.161	0.071	0.731	0.461	0.99	0.719
Compound_568	FC(C(C(F)(F)F)(F)F)(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)F	0.65	0.099	0.328	0.401	0.344	0.06	0.952	0.629	0.181	0.993	0.86
Compound_569	O=C1c2ccccc2SC1=C1Sc2c(C1=O)cccc2	0.522	0.642	0.822	0.599	0.765	0.806	0.992	0.539	0.719	0.856	0.953
Compound_570	Cc1cc(C)nc(n1)Nc1ccccc1	0.909	0.782	0.976	0.651	0.482	0.832	0.139	0.99	0.231	0.335	0.365
Compound_571	CC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.937	0.616	0.032	0.426	0.603	0.102	0.061	0.574	0.705	0.998	0.341
Compound_572	Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N	0.746	0.602	0.974	0.688	0.683	0.652	0.994	0.984	0.433	0.973	0.943
Compound_573	FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.883	0.127	0.786	0.698	0.279	0.089	0.995	0.72	0.31	0.999	0.635
Compound_574	CSc1nc(NC(C)C)nc(n1)NC(C)C	0.882	0.149	0.734	0.435	0.057	0.098	0.0	0.008	0.518	0.599	0.514
Compound_575	CNC(=O)Oc1ccccc1OC(C)C	0.266	0.418	0.487	0.323	0.164	0.056	0.03	0.975	0.531	0.035	0.047
Compound_576	CCOP(=S)(SCSC(C)(C)C)OCC	0.684	0.054	0.301	0.519	0.442	0.264	0.998	0.315	0.492	1.0	0.788
Compound_577	CSc1ccc(cc1C)OP(=S)(OC)OC	0.695	0.445	0.947	0.746	0.093	0.242	0.95	0.038	0.488	0.995	0.679
Compound_578	Nc1ccn(c(=O)n1)[C@H]1CC[C@H](O1)CO	0.785	0.115	0.016	0.323	0.274	0.098	0.037	0.019	0.13	0.0	0.755
Compound_579	CCc1cc(SCc2sc(nc2CN2CCN(CC2)c2ccc(cc2)OC)c2ccc(cc2)C(F)(F)F)ccc1OCC(=O)O	0.524	0.544	0.829	0.563	0.905	0.759	0.995	0.619	0.95	0.046	0.728
Compound_580	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_581	Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_582	Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_583	Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H]([C@@H]([C@H]1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_584	Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_585	Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@@H]([C@H]1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_586	COCCOC(OCc1ccccc1)C	0.286	0.144	0.676	0.585	0.043	0.442	0.997	0.517	0.651	0.846	0.24
Compound_587	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC	0.359	0.412	0.172	0.248	0.299	0.644	0.069	0.247	0.363	0.575	0.349
Compound_588	CC(CC(=O)OCc1ccccc1)C	0.395	0.125	0.906	0.561	0.08	0.038	0.973	0.979	0.376	0.799	0.254
Compound_589	CC(C1(C)N=C(NC1=O)c1ncccc1C(=O)O)C	0.232	0.162	0.006	0.257	0.011	0.124	0.002	0.114	0.25	0.018	0.097
Compound_590	CCCC(=O)OCC=Cc1ccccc1	0.904	0.137	0.74	0.742	0.143	0.122	0.99	0.977	0.547	1.0	0.687
Compound_591	Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl	0.895	0.517	0.966	0.698	0.872	0.898	0.881	0.972	0.956	0.988	0.986
Compound_592	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl	0.96	0.583	0.968	0.858	0.827	0.946	0.991	0.867	0.476	0.943	0.94
Compound_593	CCCC[C@H]([C@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@H](C[C@@H](CCCC[C@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C	0.147	0.162	0.003	0.235	0.164	0.151	0.009	0.257	0.511	0.076	0.171
Compound_594	CCNC(=O)[C@H](OC(=O)Nc1ccccc1)C	0.191	0.375	0.894	0.6	0.044	0.068	0.014	0.617	0.258	0.055	0.192
Compound_595	O=C(C(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.933	0.74	0.384	0.711	0.095	0.898	0.743	0.997	0.381	0.061	0.319
Compound_596	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_597	N#CC(N=NC(C#N)(CCC(=O)O)C)(CCC(=O)O)C	0.172	0.082	0.015	0.147	0.291	0.067	0.007	0.337	0.317	0.001	0.48
Compound_598	COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C	0.435	0.428	0.08	0.319	0.173	0.609	0.172	0.416	0.39	0.317	0.595
Compound_599	O=N(=O)c1cc(C2CCCCC2)c(c(c1)N(=O)=O)O	0.747	0.306	0.333	0.607	0.931	0.915	0.985	0.989	0.888	0.978	0.893
Compound_600	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC	0.371	0.358	0.22	0.2	0.122	0.629	0.034	0.02	0.366	0.177	0.381
Compound_601	CCC(=O)O[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C	0.924	0.608	0.043	0.54	0.562	0.088	0.061	0.63	0.215	1.0	0.634
Compound_602	CCOP(=S)(OP(=S)(OCC)OCC)OCC	0.797	0.109	0.892	0.529	0.126	0.291	0.943	0.226	0.44	0.996	0.494
Compound_603	CC(=O)N1CCN(CC1)c1ccc(cc1)O	0.157	0.541	0.338	0.612	0.402	0.229	0.007	0.367	0.481	0.019	0.07
Compound_604	IC(S(=O)(=O)c1ccc(cc1)C)I	0.62	0.358	0.718	0.552	0.523	0.236	0.991	0.749	0.402	0.995	0.356
Compound_605	CCC(Nc1c(cc(c(c1N(=O)=O)C)C)N(=O)=O)CC	0.748	0.331	0.932	0.446	0.652	0.069	0.009	0.377	0.612	0.98	0.822
Compound_606	Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N	0.053	0.315	0.01	0.063	0.094	0.128	0.001	0.016	0.058	0.005	0.201
Compound_607	Clc1ccc(c(c1)Cl)NC(=O)C1(CC1)C(=O)O	0.605	0.752	0.886	0.469	0.586	0.595	0.987	0.576	0.95	0.248	0.918
Compound_608	COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C	0.471	0.63	0.979	0.68	0.233	0.573	0.152	0.291	0.707	0.286	0.784
Compound_609	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.703	0.114	0.182	0.782	0.225	0.216	0.96	0.839	0.335	0.889	0.205
Compound_610	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_611	OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.877	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_612	CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C	0.628	0.652	0.847	0.573	0.639	0.673	0.634	0.416	0.686	0.355	0.271
Compound_613	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	0.724	0.675	0.958	0.79	0.519	0.898	0.613	0.622	0.976	0.055	0.193
Compound_614	CNC(=O)Oc1cccc2c1OC(C2)(C)C	0.67	0.433	0.072	0.395	0.208	0.043	0.049	0.97	0.511	0.052	0.128
Compound_615	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl	0.324	0.302	0.126	0.217	0.373	0.645	0.017	0.164	0.419	0.135	0.402
Compound_616	COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC	0.405	0.358	0.036	0.224	0.158	0.724	0.063	0.012	0.449	0.181	0.362
Compound_617	O=C1NC(=O)N(C1)N=Cc1ccc(o1)N(=O)=O	0.109	0.334	0.39	0.329	0.635	0.571	0.012	0.992	0.288	0.31	0.407
Compound_618	c1ccc(cc1)CNc1[nH]cnc2c1ncn2	0.34	0.628	0.973	0.45	0.396	0.898	0.008	0.743	0.938	0.114	0.226
Compound_619	COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C	0.546	0.837	0.972	0.781	0.555	0.824	0.78	0.907	0.546	0.132	0.617
Compound_620	Oc1ccc(cc1)NS(=O)(=O)c1ccccc1	0.105	0.215	0.288	0.4	0.655	0.838	0.181	0.279	0.575	0.04	0.262
Compound_621	C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C	0.82	0.252	0.607	0.397	0.051	0.647	0.98	0.326	0.416	0.75	0.536
Compound_622	CCOCN(c1c(C)cccc1CC)C(=O)CCl	0.908	0.815	0.876	0.718	0.905	0.177	0.996	0.982	0.462	0.86	0.788
Compound_623	O=C(c1ccccc1)c1ccc(cc1)OC(=O)C(=C)C	0.822	0.612	0.403	0.666	0.825	0.89	0.972	0.916	0.783	0.958	0.786
Compound_624	Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1	0.82	0.677	0.953	0.715	0.5	0.964	0.995	0.926	0.819	0.817	0.994
Compound_625	COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC	0.979	0.558	0.968	0.782	0.794	0.656	0.975	0.982	0.845	0.99	0.768
Compound_626	CC=C1CC2CC1C1C2C2CC1C=C2	1.001	0.542	0.412	0.539	0.706	0.651	0.337	0.962	0.431	0.998	0.892
Compound_627	O=C(C1=C(C)OCCS1)Nc1ccccc1	0.433	0.693	0.951	0.679	0.588	0.898	0.915	0.369	0.548	0.786	0.354
Compound_628	CC(CCOC(=O)Cc1ccccc1)C	0.357	0.109	0.819	0.651	0.061	0.043	0.978	0.306	0.198	0.972	0.321
Compound_629	O=C(c1ccccc1C(=O)O)OCc1ccccc1	0.694	0.28	0.45	0.543	0.344	0.452	0.996	0.068	0.578	0.168	0.901
Compound_630	COP(=S)(Oc1cc(Cl)c(cc1Cl)Br)OC	0.972	0.561	0.968	0.782	0.682	0.652	0.989	0.982	0.804	0.993	0.918
Compound_631	CCCC(COC(=O)N)(COC(=O)NC(C)C)C	0.053	0.099	0.051	0.358	0.038	0.086	0.004	0.014	0.067	0.052	0.087
Compound_632	c1ccc2c(c1)c1cccc3c1c2ccc3	0.988	0.725	0.98	0.825	0.838	0.944	0.992	0.992	0.98	0.999	0.935
Compound_633	CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl	0.342	0.5	0.398	0.434	0.099	0.624	0.25	0.166	0.426	0.279	0.5
Compound_634	COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC	0.451	0.547	0.451	0.433	0.093	0.098	0.877	0.029	0.656	0.185	0.627
Compound_635	O=C1N(c2cc(Cl)cc(c2)Cl)C(=O)C2(C1(C)C2)C	0.939	0.678	0.668	0.637	0.72	0.448	0.983	0.688	0.449	0.301	0.672
Compound_636	OC[C@H]([C@H]([C@@H]([C@H](CN(C)C)O)O)O)O	0.134	0.051	0.005	0.116	0.025	0.038	0.008	0.107	0.024	0.025	0.021
Compound_637	O=c1nc(N(C)C)n(c(=O)n1C1CCCCC1)C	0.434	0.484	0.048	0.321	0.079	0.857	0.002	0.109	0.431	0.138	0.183
Compound_638	ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl	0.721	0.642	0.635	0.635	0.482	0.898	0.987	0.994	0.219	0.969	0.918
Compound_639	Cc1nc(Nc2ccccc2)nc(c1)C1CC1	0.818	0.815	0.82	0.649	0.589	0.898	0.055	0.973	0.27	0.726	0.713
Compound_640	C=CC1(C)OC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl	0.783	0.796	0.679	0.709	0.582	0.364	0.993	0.967	0.435	0.847	0.262
Compound_641	CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C	0.551	0.381	0.068	0.458	0.12	0.305	0.004	0.394	0.454	0.339	0.166
Compound_642	CCOC(C=C(CCC=C(C)C)C)OCC	0.838	0.11	0.854	0.557	0.18	0.198	0.975	0.962	0.464	1.0	0.962
Compound_643	CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C	0.247	0.103	0.26	0.706	0.378	0.459	0.356	0.996	0.134	0.998	0.811
Compound_644	CCCCCCCCn1sccc1=O	0.586	0.691	0.086	0.511	0.161	0.718	0.3	0.814	0.895	0.998	0.854
Compound_645	CCCCCCCCC1CCC(=O)O1	0.87	0.397	0.104	0.58	0.093	0.089	0.998	0.13	0.411	0.998	0.655
Compound_646	CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.284	0.221	0.617	0.695	0.19	0.099	0.377	0.886	0.284	0.474	0.799
Compound_647	CCC1(C(=O)NCNC1=O)c1ccccc1	0.066	0.423	0.205	0.258	0.024	0.079	0.0	0.076	0.353	0.006	0.235
Compound_648	OC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_649	C=CCOC(=O)C1CCCCC1C(=O)OCC=C	0.96	0.224	0.287	0.679	0.642	0.145	0.928	0.998	0.8	1.0	0.812
Compound_650	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_651	Oc1ccc(c2c1C(=O)c1c(ccc(c1C2=O)Nc1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)C(C)(C)C)O	0.811	0.756	0.96	0.709	0.971	0.761	0.966	0.98	0.737	0.56	0.984
Compound_652	ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl	0.488	0.813	0.259	0.67	0.745	0.898	0.817	0.993	0.315	0.998	0.918
Compound_653	O=C(N1CC(OC1(C)C)c1ccco1)C(Cl)Cl	0.114	0.387	0.016	0.533	0.361	0.499	0.625	0.988	0.365	0.166	0.752
Compound_654	OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.964	0.078	0.329	0.631	0.401	0.12	0.984	0.116	0.035	0.412	0.875
Compound_655	CCN(C(=O)SCc1ccc(cc1)Cl)CC	0.247	0.331	0.472	0.629	0.233	0.356	0.53	0.899	0.151	0.997	0.23
Compound_656	CN(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C	0.279	0.209	0.246	0.805	0.604	0.101	0.968	0.978	0.398	0.946	0.68
Compound_657	CC#Cc1nc(Nc2ccccc2)nc(c1)C	0.952	0.782	0.934	0.634	0.485	0.89	0.139	0.952	0.281	0.335	0.468
Compound_658	Clc1ccc(c(c1)Cc1ccccc1)O	0.725	0.571	0.863	0.685	0.68	0.688	0.538	0.986	0.905	0.985	0.939
Compound_659	CC(CC(=O)OCCc1ccccc1)C	0.463	0.101	0.857	0.652	0.089	0.042	0.984	0.887	0.733	0.962	0.282
Compound_660	CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC	0.592	0.471	0.921	0.573	0.509	0.308	0.054	0.043	0.058	0.883	0.295
Compound_661	ClC(C(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl)Cl	0.407	0.813	0.507	0.673	0.948	0.934	0.927	0.972	0.538	0.998	0.918
Compound_662	CCCCCCCCCCCCNC(=N)N	0.157	0.09	0.155	0.389	0.026	0.851	0.001	0.764	0.869	0.62	0.076
Compound_663	C=C1CC[C@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C	0.956	0.234	0.047	0.557	0.838	0.639	0.955	0.948	0.361	0.999	0.939
Compound_664	CCCCCCc1ccc(cc1O)O	0.887	0.364	0.535	0.54	0.679	0.708	0.304	0.963	0.737	0.964	0.536
Compound_665	CCOP(=S)(OCC)SCSP(=S)(OCC)OCC	0.758	0.076	0.868	0.52	0.398	0.454	0.96	0.226	0.411	0.999	0.773
Compound_666	Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1	0.64	0.62	0.606	0.57	0.642	0.765	0.953	0.089	0.466	0.048	0.525
Compound_667	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC	0.515	0.458	0.035	0.228	0.555	0.65	0.37	0.38	0.365	0.607	0.426
Compound_668	OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C	0.238	0.241	0.345	0.685	0.328	0.192	0.859	0.282	0.302	0.014	0.621
Compound_669	N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F	0.469	0.61	0.915	0.646	0.632	0.664	0.211	0.285	0.688	0.675	0.918
Compound_670	Clc1cc2c(cc1Cl)oc1c2cc(Cl)c(c1Cl)Cl	0.712	0.543	0.994	0.599	0.652	0.784	0.961	0.982	0.724	0.999	0.991
Compound_671	CCCCCCCCOC(=O)CCCCCCC	0.86	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.449	0.998	0.912
Compound_672	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl	0.98	0.733	0.558	0.663	0.87	0.647	0.973	0.885	0.244	0.999	0.794
Compound_673	O=c1n(CC2OC2)c(=O)n(c(=O)n1CC1OC1)CC1OC1	0.524	0.441	0.154	0.531	0.905	0.253	0.024	0.84	0.882	0.968	0.918
Compound_674	O=C(Nc1ccccc1)NC1CCCCC1C	0.794	0.348	0.727	0.767	0.34	0.642	0.054	0.42	0.521	0.532	0.074
Compound_675	CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C	0.42	0.789	0.071	0.577	0.124	0.756	0.107	0.056	0.375	0.342	0.174
Compound_676	CCCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.595	0.836	0.416	0.949	0.963	0.978	0.723
Compound_677	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_678	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@@H]2C[C@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_679	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_680	CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC	0.432	0.559	0.881	0.682	0.374	0.241	0.003	0.631	0.154	0.926	0.412
Compound_681	COCN(c1c(CC)cccc1CC)C(=O)CCl	0.878	0.878	0.848	0.75	0.905	0.133	0.998	0.993	0.588	0.525	0.734
Compound_682	O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl	0.94	0.588	0.732	0.644	0.905	0.651	0.966	0.933	0.345	0.998	0.904
Compound_683	CCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.595	0.836	0.416	0.949	0.963	0.978	0.723
Compound_684	CCOC(=O)CCCCCCCCC(=O)OCC	0.902	0.016	0.551	0.688	0.075	0.033	0.991	0.583	0.043	0.996	0.926
Compound_685	CC(=C)C(=O)OC1CCC(CC1)C(C)(C)C	0.992	0.31	0.029	0.497	0.75	0.168	0.822	0.873	0.781	1.0	0.78
Compound_686	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC	0.626	0.038	0.842	0.698	0.3	0.133	0.99	0.957	0.46	0.999	0.757
Compound_687	CCCCCCCCCCCCP(=O)(O)O	0.89	0.053	0.04	0.342	0.659	0.384	0.985	0.058	0.959	0.84	0.294
Compound_688	Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl	0.686	0.536	0.371	0.665	0.918	0.853	0.875	0.999	0.836	0.969	0.935
Compound_689	Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl	0.952	0.786	0.983	0.601	0.942	0.683	0.581	0.921	0.956	0.996	0.994
Compound_690	ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl	0.924	0.831	0.521	0.643	0.827	0.432	0.978	0.984	0.145	0.999	0.421
Compound_691	CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl	0.122	0.909	0.653	0.791	0.386	0.898	0.025	0.876	0.52	0.811	0.678
Compound_692	O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.921	0.841	0.521	0.661	0.834	0.419	0.997	0.984	0.087	0.999	0.431
Compound_693	O=[S@@]1OC[C@@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.921	0.841	0.521	0.661	0.834	0.419	0.997	0.984	0.087	0.999	0.431
Compound_694	N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.31	0.358	0.498	0.573	0.728	0.645	0.593	0.964	0.748	0.215	0.727
Compound_695	ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl	0.956	0.51	0.727	0.636	0.892	0.65	0.977	0.443	0.389	0.999	0.673
Compound_696	ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl	0.953	0.769	0.69	0.734	0.921	0.631	0.984	0.944	0.255	0.999	0.601
Compound_697	CC(Nc1nc(Cl)nc(n1)Cl)(CC(C)(C)C)C	0.139	0.35	0.659	0.457	0.059	0.275	0.011	0.199	0.573	0.557	0.027
Compound_698	O=C(C1=C(C)OCCS1(=O)=O)Nc1ccccc1	0.42	0.807	0.765	0.674	0.294	0.762	0.683	0.968	0.451	0.96	0.178
Compound_699	N#Cc1c([nH]c(c1Br)C(F)(F)F)c1ccc(cc1)Cl	0.805	0.604	0.673	0.697	0.668	0.703	0.989	0.455	0.849	0.868	0.901
Compound_700	COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC	0.846	0.145	0.937	0.538	0.645	0.648	0.981	0.092	0.726	0.712	0.087
Compound_701	c1ccc2c(c1)c1cc3ccccc3c3c1c2ccc3	0.988	0.725	0.98	0.815	0.905	0.898	0.993	0.992	0.977	0.999	0.935
Compound_702	OC(=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_703	NC(=O)N1c2ccccc2C=Cc2c1cccc2	0.566	0.542	0.099	0.289	0.684	0.648	0.992	0.007	0.845	0.593	0.087
Compound_704	Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl	0.903	0.753	0.74	0.768	0.979	0.994	0.958	0.857	0.598	0.829	0.964
Compound_705	Cl[C@H]1[C@H]2O[C@H]2[C@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl	0.942	0.659	0.792	0.674	0.881	0.543	0.993	0.966	0.293	0.997	0.944
Compound_706	CN(C=Nc1ccc(cc1C)C)C=Nc1ccc(cc1C)C	0.371	0.714	0.793	0.613	0.317	0.846	0.98	0.072	0.745	0.96	0.087
Compound_707	OC(=O)C(=O)Nc1cc(C)c(c(c1)C)Oc1ccc(c2c1CCC2)O	0.505	0.703	0.363	0.714	0.879	0.637	0.545	0.192	0.237	0.133	0.137
Compound_708	CCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_709	CCc1nc(N)nc(c1c1ccc(cc1)Cl)N	0.62	0.64	0.36	0.478	0.559	0.898	0.28	0.938	0.505	0.025	0.105
Compound_710	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_711	CCOP(=O)(OC(=CCl)c1ccc(cc1Cl)Cl)OCC	0.899	0.859	0.93	0.843	0.833	0.31	0.966	0.993	0.42	0.998	0.492
Compound_712	N#CNC(=N)NCCCCCCNC(=N)NC#N	0.095	0.118	0.277	0.339	0.093	0.888	0.0	0.832	0.879	0.074	0.192
Compound_713	O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C	0.85	0.636	0.15	0.616	0.692	0.655	0.675	0.647	0.403	0.878	0.386
Compound_714	COCC(N(c1c(C)cccc1CC)C(=O)CCl)C	0.952	0.789	0.561	0.785	0.917	0.098	0.993	0.991	0.511	0.315	0.759
Compound_715	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	0.988	0.649	0.974	0.697	0.843	0.737	0.998	0.968	0.931	1.0	0.952
Compound_716	CC(=C)C(=O)OCCN1CCOC21CCCCC2	0.18	0.557	0.127	0.177	0.181	0.093	0.012	0.482	0.511	0.543	0.577
Compound_717	OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.196	0.229	0.306	0.675	0.315	0.199	0.859	0.225	0.305	0.088	0.552
Compound_718	COc1cc(ccc1N)c1ccc(c(c1)OC)N	0.71	0.616	0.992	0.809	0.405	0.389	0.989	0.983	0.869	0.693	0.946
Compound_719	CC(OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1)C	0.169	0.655	0.005	0.153	0.093	0.898	0.006	0.848	0.329	0.083	0.178
Compound_720	OC(=O)C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.887	0.014	0.248	0.812	0.454	0.036	0.99	0.873	0.088	0.354	0.918
Compound_721	Brc1cc(Br)c(c(c1)Br)N(c1c(cc(cc1C(F)(F)F)N(=O)=O)N(=O)=O)C	0.921	0.699	0.943	0.736	0.699	0.652	0.988	0.958	0.478	0.988	0.901
Compound_722	OCCC1CCCCN1C(=O)OC(CC)C	0.162	0.283	0.052	0.517	0.012	0.193	0.011	0.166	0.306	0.027	0.081
Compound_723	O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C	0.404	0.398	0.536	0.467	0.425	0.743	0.045	0.285	0.345	0.267	0.436
Compound_724	c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3	0.988	0.649	0.977	0.697	0.937	0.898	0.998	0.924	0.94	1.0	0.952
Compound_725	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C	0.399	0.518	0.964	0.46	0.32	0.768	0.058	0.607	0.349	0.336	0.645
Compound_726	CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C	0.418	0.491	0.865	0.695	0.242	0.898	0.558	0.886	0.301	0.993	0.327
Compound_727	CCNc1cc(C#N)c(c2c1C(=O)c1c(C2=O)cccc1)N	0.552	0.647	0.94	0.638	0.731	0.207	0.93	0.308	0.765	0.114	0.968
Compound_728	CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3c(C(=O)C1=C2O)c(O)ccc3N(C)C)O)O)C	0.156	0.718	0.008	0.093	0.735	0.757	0.158	0.04	0.171	0.032	0.175
Compound_729	CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C	0.919	0.673	0.919	0.525	0.616	0.963	0.984	0.686	0.877	0.971	0.847
Compound_730	CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC	0.89	0.516	0.994	0.722	0.375	0.162	0.997	0.959	0.644	0.884	0.412
Compound_731	O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.557	0.577	0.894	0.898	0.049	0.655	0.046	0.016	0.195	0.558	0.45
Compound_732	c1ccc2c(c1)c1ccc3c(c1cc2)cccc3	0.988	0.649	0.974	0.622	0.843	0.737	0.998	0.968	0.969	1.0	0.952
Compound_733	CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C	0.739	0.462	0.501	0.432	0.694	0.098	0.065	0.839	0.393	0.012	0.219
Compound_734	COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C	0.566	0.294	0.598	0.616	0.037	0.022	0.344	0.139	0.334	0.026	0.159
Compound_735	COCC(=O)N(c1c(C)cccc1C)[C@@H](C(=O)OC)C	0.566	0.294	0.598	0.616	0.037	0.022	0.344	0.139	0.334	0.026	0.159
Compound_736	Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(=O)=O	0.995	0.806	0.938	0.77	0.593	0.804	0.975	0.992	0.36	0.999	0.988
Compound_737	c1ccc2c(c1)cc1c(c2)c2c3c1cccc3ccc2	0.988	0.725	0.98	0.808	0.905	0.898	0.993	0.992	0.973	0.999	0.935
Compound_738	CCCCC(C(=O)OOC(CC(C)(C)C)(C)C)CC	0.914	0.036	0.03	0.523	0.134	0.075	0.962	0.84	0.33	0.99	0.766
Compound_739	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)C(=O)Nc1ccccc1	0.823	0.66	0.995	0.693	0.79	0.754	0.777	0.772	0.485	0.327	0.646
Compound_740	CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2	0.276	0.663	0.866	0.6	0.307	0.767	0.006	0.547	0.544	0.084	0.724
Compound_741	CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl	0.404	0.095	0.716	0.779	0.151	0.131	0.806	0.932	0.5	0.999	0.631
Compound_742	N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl	0.534	0.212	0.931	0.816	0.704	0.898	0.481	0.775	0.36	0.988	0.918
Compound_743	CCCCCCCCCC=CCC1CC(=O)OC1=O	0.939	0.189	0.483	0.639	0.548	0.06	1.0	0.994	0.836	0.999	0.798
Compound_744	CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C	0.053	0.666	0.003	-0.012	0.341	0.607	0.006	0.057	0.189	0.186	0.087
Compound_745	O=C1NC(=O)NC1(c1ccccc1)c1ccccc1	0.257	0.566	0.348	0.317	0.093	0.456	0.855	0.01	0.382	0.018	0.78
Compound_746	O=CNC(C(Cl)(Cl)Cl)N1CCN(CC1)C(C(Cl)(Cl)Cl)NC=O	0.089	0.238	0.049	0.221	0.314	0.491	0.0	0.966	0.283	0.313	0.266
Compound_747	CCOC(=O)c1nn(c(n1)C(Cl)(Cl)Cl)c1ccc(cc1Cl)Cl	0.394	0.611	0.447	0.582	0.537	0.686	0.963	0.928	0.14	0.076	0.918
Compound_748	CCCCCCCCCc1nc(N)nc(n1)N	0.642	0.36	0.688	0.518	0.114	0.388	0.022	0.502	0.892	0.584	0.261
Compound_749	Clc1cc(cnc1Nc1c(cc(c(c1N(=O)=O)Cl)C(F)(F)F)N(=O)=O)C(F)(F)F	0.781	0.645	0.947	0.813	0.757	0.538	0.983	0.971	0.525	0.931	0.918
Compound_750	Nc1ccc(cc1S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O	0.748	0.295	1.0	0.463	0.652	0.645	0.451	0.51	0.36	0.057	0.082
Compound_751	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.746	0.114	0.182	0.782	0.321	0.251	0.988	0.839	0.336	0.889	0.205
Compound_752	CCCCC(=O)N([C@H](C(=O)OCc1ccccc1)C(C)C)Cc1ccc(cc1)c1ccccc1c1nn[nH]n1	0.313	0.755	0.453	0.622	0.5	0.83	0.99	0.739	0.361	0.651	0.398
Compound_753	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_754	CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1	0.235	0.6	0.58	0.457	0.74	0.898	0.247	0.61	0.314	0.088	0.07
Compound_755	CCCCCCCCn1sc(c(c1=O)Cl)Cl	0.636	0.681	0.088	0.5	0.23	0.772	0.879	0.714	0.882	0.997	0.918
Compound_756	CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC	0.586	0.659	0.516	0.597	0.228	0.341	0.771	0.992	0.433	0.678	0.624
Compound_757	COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C	0.785	0.517	0.793	0.745	0.294	0.347	0.883	0.812	0.445	0.738	0.659
Compound_758	O=C(C=Cc1ccccc1)OCc1ccccc1	0.874	0.747	0.82	0.721	0.476	0.826	0.999	0.982	0.263	0.927	0.919
Compound_759	Cn1cc(c2cccc(c2)C(F)(F)F)c(=O)c(c1)c1ccccc1	0.551	0.49	0.364	0.737	0.458	0.563	0.874	0.554	0.393	0.011	0.642
Compound_760	CCCCCCC(CCCCCCCCCCCO)O	0.928	0.111	0.05	0.573	0.129	0.199	0.986	0.361	0.124	0.4	0.376
Compound_761	Clc1ccc2c(c1)CC1C2(O)N=C(S1)c1ccccc1	0.455	0.692	0.918	0.675	0.592	0.898	0.691	0.041	0.493	0.816	0.741
Compound_762	OCC=C(CCC=C(CCC=C(C)C)C)C	0.453	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_763	CCC(Nc1c(cc(cc1N(=O)=O)C(C)(C)C)N(=O)=O)C	0.857	0.441	0.938	0.44	0.689	0.077	0.01	0.918	0.662	0.774	0.845
Compound_764	Cc1ccc(cc1)Nc1ccc2c3c1c(=O)c1ccccc1c3cc(=O)n2C	0.526	0.762	0.968	0.794	0.842	0.499	0.994	0.963	0.663	0.159	0.358
Compound_765	Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C	0.598	0.483	0.237	0.587	0.419	0.678	0.803	0.8	0.411	0.193	0.523
Compound_766	CC(CC(CC(C)(C)C)(C)C)CC(C)(C)C	0.993	0.064	0.194	0.401	0.223	0.22	0.998	0.418	0.757	0.998	0.678
Compound_767	BrCC(COc1c(Br)cc(cc1Br)Br)Br	0.872	0.168	0.933	0.77	0.667	0.668	0.997	0.956	0.337	0.999	0.938
Compound_768	CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC	0.098	0.897	0.766	0.709	0.031	0.143	0.172	0.874	0.298	0.454	0.152
Compound_769	CC1CCCCCCCCCCCCC(=O)C1	0.979	0.127	0.23	0.43	0.061	0.025	0.993	0.553	0.352	0.999	0.766
Compound_770	CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C	0.653	0.827	0.154	0.378	0.445	0.898	0.984	0.669	0.759	0.966	0.362
Compound_771	CCn1nc(c2c1C(=O)NCC(=N2)c1ccc(cc1)O)C	0.54	0.59	0.747	0.422	0.672	0.593	0.007	0.337	0.807	0.007	0.403
Compound_772	CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C	0.318	0.621	0.985	0.721	0.905	0.636	0.968	0.958	0.223	0.459	0.817
Compound_773	CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C	0.318	0.621	0.985	0.721	0.905	0.636	0.968	0.958	0.223	0.459	0.817
Compound_774	ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F	0.952	0.652	0.729	0.581	0.934	0.098	0.979	0.939	0.467	0.752	0.642
Compound_775	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_776	c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4	0.988	0.649	0.974	0.697	0.937	0.898	0.998	0.968	0.95	1.0	0.952
Compound_777	CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC(=C)C	0.741	0.555	0.22	0.736	0.836	0.09	0.995	0.994	0.667	0.857	0.869
Compound_778	O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O	0.952	0.868	0.933	0.652	0.905	0.763	0.568	0.971	0.436	0.808	0.764
Compound_779	CCC(C(=O)CCl)(NC(=O)c1cc(Cl)c(c(c1)Cl)C)C	0.937	0.358	0.405	0.45	0.558	0.533	0.87	0.984	0.417	0.958	0.171
Compound_780	CCCCCCCCCCCCCCCCCCCC	0.993	0.047	0.309	0.578	0.167	0.21	1.0	0.989	1.0	1.0	0.819
Compound_781	C=CC(OC(=O)C=Cc1ccccc1)(CCC=C(C)C)C	0.965	0.107	0.416	0.738	0.376	0.485	0.974	0.999	0.488	0.979	0.577
Compound_782	Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O	0.766	0.852	0.982	0.865	0.892	0.976	0.994	0.987	0.564	0.014	0.834
Compound_783	CCNc1nc(c(s1)C(=O)NC(c1cccs1)C#N)CC	0.548	0.636	0.157	0.35	0.226	0.749	0.016	0.75	0.64	0.038	0.555
Compound_784	OC[C@H]1O[C@H](C[C@@H]1N=N#N)n1cc(C)c(=O)[nH]c1=O	0.055	0.104	0.005	0.16	0.093	0.122	0.01	0.003	0.111	0.032	0.087
Compound_785	CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.751	0.19	0.402	0.56	0.11	0.192	0.933	0.307	0.752	0.915	0.608
Compound_786	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_787	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_788	CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C	0.053	0.599	0.111	0.447	0.833	0.827	0.116	0.159	0.058	0.083	0.758
Compound_789	CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C	0.716	0.336	0.973	0.829	0.85	0.098	0.991	0.885	0.31	0.158	0.731
Compound_790	c1ccc2c(c1)c1cc3cccc4c3c3c1c2ccc3cc4	0.988	0.725	0.982	0.798	0.958	0.948	0.993	0.985	0.969	0.999	0.935
Compound_791	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_792	CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C	0.242	0.698	0.939	0.552	0.772	0.829	0.772	0.588	0.764	0.958	0.398
Compound_793	c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2	0.988	0.649	0.977	0.622	0.937	0.898	0.998	0.924	0.93	1.0	0.952
Compound_794	O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2	0.052	0.49	0.135	0.232	0.013	0.145	0.047	0.015	0.369	0.207	0.285
Compound_795	CC(c1ccc(cc1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.777	0.19	0.367	0.546	0.116	0.241	0.975	0.269	0.832	0.915	0.608
Compound_796	CCOP(=S)(c1ccccc1)Oc1ccc(cc1)N(=O)=O	0.915	0.806	0.64	0.724	0.961	0.363	0.996	0.52	0.062	0.715	0.849
Compound_797	C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl	0.214	0.355	0.403	0.485	0.558	0.593	0.98	0.92	0.276	0.436	0.095
Compound_798	CCOc1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F	0.952	0.848	0.921	0.787	0.961	0.739	0.995	0.994	0.511	0.99	0.956
Compound_799	CCCN(c1c(cc(c(c1N(=O)=O)N)C(F)(F)F)N(=O)=O)CCC	0.702	0.315	0.207	0.634	0.905	0.25	0.943	0.965	0.607	0.236	0.715
Compound_800	COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C	0.566	0.62	0.925	0.75	0.668	0.671	0.982	0.23	0.517	0.696	0.961
Compound_801	Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F	0.6	0.801	0.866	0.924	0.491	0.898	0.751	0.637	0.95	0.284	0.858
Compound_802	CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N	0.977	0.366	0.611	0.727	0.688	0.898	0.973	0.975	0.372	0.994	0.869
Compound_803	Brc1ccc(c(c1)Br)Oc1ccc(cc1Br)Br	0.983	0.704	0.882	0.743	0.674	0.673	0.998	0.826	0.48	0.999	0.995
Compound_804	Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C	0.691	0.469	0.533	0.53	0.676	0.647	0.296	0.136	0.391	0.231	0.355
Compound_805	CC(C(c1cncnc1)(c1ccc(cc1)OC(F)(F)F)O)C	0.145	0.633	0.818	0.694	0.662	0.309	0.851	0.343	0.285	0.021	0.711
Compound_806	CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC	0.31	0.717	0.983	0.609	0.677	0.231	0.737	0.465	0.769	0.995	0.087
Compound_807	N=C(NC(=N)Nc1ccc(cc1)Cl)NCCCCCCNC(=N)NC(=N)Nc1ccc(cc1)Cl	0.788	0.44	0.05	0.312	0.729	0.973	0.021	0.967	0.95	0.023	0.132
Compound_808	ClCCOS(=O)OC(COc1ccc(cc1)C(C)(C)C)C	0.464	0.504	0.741	0.64	0.55	0.823	0.916	0.937	0.752	0.89	0.347
Compound_809	CCCCCCCCCc1ccc(cc1)OCC(=O)O	0.57	0.285	0.119	0.351	0.373	0.262	0.937	0.097	0.311	0.809	0.292
Compound_810	CCOC(=O)c1ccc(cc1)N=CN(c1ccccc1)C	0.419	0.82	0.969	0.55	0.163	0.968	0.857	0.024	0.26	0.473	0.525
Compound_811	CCCCCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_812	CCCN(c1c(cc(cc1N(=O)=O)S(=O)(=O)N)N(=O)=O)CCC	0.646	0.308	0.002	0.297	0.474	0.52	0.894	0.294	0.258	0.089	0.426
Compound_813	CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C	0.053	0.709	0.004	-0.011	0.438	0.647	0.009	0.073	0.188	0.027	0.124
Compound_814	CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C	0.587	0.61	0.283	0.622	0.43	0.898	0.918	0.613	0.42	0.884	0.362
Compound_815	O=C1Nc2ccc(cc2C(=NC1O)c1ccccc1)Cl	0.77	0.796	0.926	0.682	0.563	0.798	0.477	0.691	0.763	0.773	0.902
Compound_816	ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl	0.784	0.384	0.581	0.448	0.96	0.94	0.953	0.965	0.416	1.0	0.879
Compound_817	CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.703	0.678	0.941	0.765	0.425	0.098	0.259	0.869	0.26	0.248	0.814
Compound_818	CCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.703	0.678	0.941	0.765	0.425	0.098	0.259	0.869	0.26	0.248	0.814
Compound_819	CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F	0.161	0.568	0.968	0.538	0.839	0.724	0.632	0.641	0.445	0.001	0.241
Compound_820	CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O	0.053	0.538	0.112	0.579	0.02	0.206	0.007	0.254	0.372	0.005	0.045
Compound_821	Clc1ccc2c(c1Cl)c(=O)c1c([nH]2)cc2c(c1)[nH]c1c(c2=O)cccc1	0.726	0.625	0.989	0.455	0.668	0.648	0.998	0.665	0.623	0.557	0.996
Compound_822	CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl	0.526	0.151	0.651	0.783	0.132	0.098	0.977	0.978	0.61	0.97	0.349
Compound_823	C#CCN1CC(=O)N(C1=O)COC(=O)C1C(C1(C)C)C=C(C)C	0.39	0.619	0.217	0.641	0.386	0.298	0.044	0.992	0.364	0.994	0.589
Compound_824	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_825	OC1CCC(CC1)C1CC2CC1C(C2(C)C)C	0.928	0.812	0.047	0.453	0.589	0.269	0.059	0.142	0.339	0.99	0.745
Compound_826	Clc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccccc1Cl	0.818	0.437	0.1	0.528	0.94	0.922	0.952	0.848	0.095	1.0	0.928
Compound_827	COC(=O)c1ccc(cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)CNS(=O)(=O)C	0.373	0.448	0.644	0.207	0.331	0.75	0.173	0.028	0.399	0.275	0.311
Compound_828	C[C@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1	0.594	0.512	0.194	0.373	0.448	0.704	0.97	0.034	0.408	0.774	0.056
Compound_829	O[C@@H](C(C)(C)C)[C@@H](n1ncnc1)Cc1ccc(cc1)Cl	0.743	0.702	0.829	0.819	0.035	0.829	0.049	0.33	0.409	0.12	0.567
Compound_830	CC(OC(=O)N[C@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C	0.524	0.577	0.993	0.421	0.421	0.723	0.144	0.749	0.46	0.59	0.704
Compound_831	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	0.952	0.482	0.547	0.504	0.94	0.97	0.953	0.952	0.48	0.998	0.737
Compound_832	N#C[C@@]1(CC[C@@H](CC1)C(=O)O)c1ccc2c(c1)n(nc2CC)C1CCCCC1	0.654	0.571	0.19	0.554	0.905	0.559	0.98	0.954	0.38	0.062	0.891
Compound_833	Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=S)O	0.334	0.638	0.547	0.556	0.096	0.663	0.167	0.506	0.411	0.715	0.511
Compound_834	Clc1cc(Cl)c(cc1c1cc(Cl)c(cc1Cl)Cl)Cl	0.991	0.389	0.975	0.736	0.785	0.77	0.995	0.919	0.926	0.995	0.816
Compound_835	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_836	CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC	0.505	0.253	0.654	0.771	0.192	0.183	0.852	0.936	0.511	0.999	0.616
Compound_837	C#CCOc1cc(c(cc1Cl)Cl)n1nc2n(c1=O)CCCC2	0.598	0.529	0.195	0.575	0.38	0.822	0.041	0.566	0.415	0.025	0.443
Compound_838	CCCCC(CN1C(=O)C2C(C1=O)C1CC2C=C1)CC	0.585	0.84	0.228	0.581	0.495	0.163	0.76	0.476	0.407	0.997	0.547
Compound_839	Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2	0.792	0.889	0.983	0.725	0.963	0.913	0.982	0.988	0.693	0.99	0.908
Compound_840	CN[C@H]1CC[C@H](c2c1cc(cc2)S(=O)(=O)N)c1ccc(c(c1)Cl)Cl	0.1	0.45	0.039	0.171	0.375	0.898	0.951	0.295	0.34	0.082	0.259
Compound_841	CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CCC	0.884	0.339	0.114	0.704	0.852	0.098	0.977	0.986	0.665	0.237	0.821
Compound_842	CCCCNc1ccc2c3c1cccc3c(=O)n(c2=O)CCCC	0.618	0.583	0.871	0.435	0.129	0.598	0.913	0.328	0.511	0.029	0.267
Compound_843	CCSC(CC1CC(=C(C(=O)C1)C(=NOCC)CCC)O)C	0.604	0.546	0.083	0.515	0.611	0.571	0.94	0.829	0.327	0.635	0.843
Compound_844	CCOC(=O)OC1=C(C(=O)N[C@@]21CC[C@H](CC2)OC)c1cc(C)ccc1C	0.952	0.769	0.316	0.319	0.067	0.56	0.811	0.101	0.416	0.538	0.579
Compound_845	Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O	0.952	0.954	0.988	0.917	0.916	0.984	0.997	0.969	0.907	0.057	0.943
Compound_846	OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O	0.178	0.161	0.134	0.278	0.484	0.098	0.396	0.035	0.444	0.009	0.187
Compound_847	ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl	0.94	0.645	0.645	0.653	0.906	0.974	0.961	0.974	0.471	0.998	0.849
Compound_848	CON(C(=O)c1cn(nc1C(F)F)C)C(Cc1c(Cl)cc(cc1Cl)Cl)C	0.411	0.577	0.225	0.583	0.687	0.484	0.951	0.95	0.482	0.71	0.798
Compound_849	Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F	0.287	0.39	0.382	0.371	0.515	0.56	0.133	0.969	0.504	0.128	0.355
Compound_850	Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O	0.498	0.746	0.893	0.886	0.135	0.642	0.828	0.133	0.613	0.03	0.597
Compound_851	O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3	0.754	0.779	0.124	0.097	0.488	0.647	0.031	0.773	0.058	0.322	0.14
Compound_852	OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl	0.348	0.545	0.877	0.844	0.07	0.637	0.031	0.025	0.34	0.492	0.459
Compound_853	C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C	0.989	1.0	0.3	0.786	0.917	0.875	0.107	0.991	0.114	0.998	0.071
Compound_854	COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC	0.863	0.639	0.957	0.753	0.574	0.555	0.957	0.152	0.652	0.97	0.71
Compound_855	COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC	0.934	0.612	0.411	0.772	0.905	0.983	0.892	0.026	0.181	0.716	0.975
Compound_856	COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C	0.952	0.73	0.089	0.79	0.371	0.51	0.993	0.582	0.397	0.444	0.962
Compound_857	COC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)N)Cc1ccccc1	0.081	0.221	0.003	0.115	0.022	0.006	0.007	0.001	0.384	0.011	0.038
Compound_858	COc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1)OC)C(=O)C	0.568	0.729	0.996	0.718	0.91	0.884	0.866	0.817	0.489	0.986	0.684
Compound_859	C[C@H]1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O	0.947	0.415	0.885	0.556	0.917	0.918	0.943	0.344	0.284	0.775	0.746
Compound_860	CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C	0.952	0.671	0.248	0.876	0.288	0.199	0.937	0.912	0.397	0.012	0.642
Compound_861	CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C	0.952	0.671	0.248	0.876	0.288	0.199	0.937	0.912	0.397	0.012	0.642
Compound_862	Fc1ccc(cc1)C1(O)CCN(CC1)[C@@H]1COc2c([C@@H]1O)ccc(c2)O	0.151	0.842	0.744	0.668	0.71	0.513	0.003	0.104	0.916	0.758	0.713
Compound_863	C=CCOC(=O)C(OC(=O)c1cc(ccc1Cl)n1c(=O)cc(n(c1=O)C)C(F)(F)F)(C)C	0.952	0.549	0.124	0.598	0.663	0.898	0.715	0.976	0.339	0.574	0.43
Compound_864	Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O	0.799	0.89	0.984	0.868	0.929	0.875	0.925	0.988	0.226	0.011	0.645
Compound_865	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_866	O=C1NC2(OC31CC(C)(C)NC(C3)(C)C)CCCCCCCCCCC2	0.193	0.518	0.009	0.343	0.012	0.268	0.037	0.021	0.313	0.578	0.127
Compound_867	O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1	0.467	0.536	0.642	0.692	0.543	0.65	0.823	0.959	0.395	0.239	0.471
Compound_868	Clc1cc(Br)c(c(c1)C(=O)NC(C1CC1)C)NC(=O)c1cc(nn1c1ncccc1Cl)Br	0.646	0.738	0.584	0.579	0.701	0.656	0.755	0.947	0.425	0.511	0.353
Compound_869	CCCCCCCCCCCCN(CCCN)CCCN	0.555	0.183	0.008	0.123	0.023	0.461	0.51	0.348	0.694	0.905	0.243
Compound_870	Clc1ccc(cc1)Oc1ccc(c(c1)C(F)(F)F)C(Cn1cncn1)(O)C	0.534	0.703	0.564	0.86	0.478	0.759	0.606	0.391	0.272	0.146	0.776
Compound_871	CCOC(=O)C(OC(=O)c1cc(ccc1N(=O)=O)Oc1ccc(cc1Cl)C(F)(F)F)C	0.952	0.797	0.991	0.81	0.921	0.725	0.993	0.942	0.362	0.822	0.932
Compound_872	COc1ccc(cc1NNC(=O)OC(C)C)c1ccccc1	0.494	0.778	0.952	0.577	0.45	0.697	0.96	0.96	0.475	0.895	0.284
Compound_873	C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1	0.132	0.736	0.932	0.879	0.76	0.898	0.006	0.921	0.351	0.986	0.619
Compound_874	C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C	0.305	0.439	0.689	0.734	0.123	0.36	0.089	0.968	0.316	0.084	0.344
Compound_875	Cc1nn(c(c1N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)O)N)c1ccccc1	0.404	0.527	0.128	0.427	0.706	0.653	0.221	0.671	0.426	0.478	0.292
Compound_876	OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl	0.951	0.879	0.874	0.87	0.092	0.91	0.96	0.681	0.289	0.038	0.45
Compound_877	CCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)Cc1c(F)cccc1Cl	0.921	0.643	0.252	0.805	0.944	0.362	0.997	0.978	0.606	0.993	0.936
Compound_878	ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl	0.94	0.519	0.089	0.564	0.905	0.963	0.952	0.742	0.058	0.998	0.825
Compound_879	CCOCn1c(c2ccc(cc2)Cl)c(c(c1C(F)(F)F)Br)C#N	0.814	0.561	0.95	0.794	0.597	0.898	0.968	0.944	0.372	0.97	0.918
Compound_880	CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl	0.952	0.484	0.878	0.711	0.629	0.597	0.984	0.964	0.442	0.153	0.489
Compound_881	OCC(C1OCC2(CO1)COC(OC2)C(CO)(C)C)(C)C	0.649	0.426	0.073	0.474	0.058	0.176	0.227	0.588	0.338	0.803	0.527
Compound_882	O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C	0.831	0.613	0.097	0.634	0.284	0.472	0.968	0.989	0.633	0.444	0.805
Compound_883	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.83	0.731	0.681	0.855	0.057	0.857	0.741	0.456	0.474	0.07	0.382
Compound_884	C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2	0.765	0.673	0.909	0.703	0.227	0.655	0.981	0.987	0.427	0.472	0.268
Compound_885	CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C	0.801	0.267	0.884	0.722	0.801	0.098	0.978	0.957	0.354	0.995	0.864
Compound_886	C#CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C	0.719	0.656	0.438	0.538	0.825	0.511	0.866	0.993	0.43	0.998	0.803
Compound_887	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)ccc1C)C(=O)Nc1ccccc1	0.861	0.778	0.992	0.746	0.929	0.834	0.927	0.951	0.443	0.979	0.809
Compound_888	COc1c(Cl)ccc(c1F)c1nc(C(=O)OCc2ccccc2)c(c(c1F)N)Cl	0.625	0.65	0.966	0.842	0.876	0.574	0.981	0.911	0.624	0.41	0.684
Compound_889	CSC1=N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1	0.271	0.832	0.866	0.79	0.139	0.588	0.976	0.969	0.406	0.06	0.311
Compound_890	C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C	0.802	0.616	0.478	0.652	0.649	0.902	0.959	0.972	0.533	0.922	0.433
Compound_891	N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl	0.577	0.649	0.895	0.925	0.344	0.898	0.348	0.403	0.527	0.147	0.715
Compound_892	CN(c1ccccc1)C(=S)SSC(=S)N(c1ccccc1)C	0.895	0.65	0.505	0.481	0.537	0.98	0.976	0.175	0.727	1.0	0.623
Compound_893	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F	0.846	0.561	0.978	0.872	0.945	0.853	0.982	0.873	0.433	0.844	0.954
Compound_894	O=S(=O)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCCCN(=O)(C)C	0.263	0.478	0.053	0.535	0.281	0.286	0.138	0.66	0.375	0.092	0.586
Compound_895	CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC	0.952	0.616	0.254	0.623	0.176	0.223	0.993	0.927	0.485	0.267	0.481
Compound_896	Brc1cc(Br)c(cc1Oc1cc(Br)c(cc1Br)Br)Br	0.957	0.704	0.941	0.744	0.648	0.652	0.995	0.987	0.538	0.999	0.995
Compound_897	O=C(c1cc2ccccc2c(c1O)N=Nc1ccc(cc1C)N(=O)=O)Nc1ccccc1C	0.91	0.76	0.965	0.695	0.822	0.893	0.829	0.983	0.485	0.981	0.899
Compound_898	CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O	0.187	0.543	0.865	0.644	0.864	0.639	0.81	0.052	0.2	0.25	0.918
Compound_899	Clc1ccc(c(c1)N(=O)=O)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1C	0.886	0.738	0.964	0.71	0.803	0.749	0.93	0.995	0.454	0.996	0.936
Compound_900	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1OC)OC)S(=O)(=O)N(CC)CC	0.596	0.604	0.46	0.696	0.71	0.666	0.899	0.884	0.416	0.981	0.394
Compound_901	CCCCCOC(=O)c1ccccc1C(=O)OCCCCC	0.921	0.112	0.591	0.596	0.099	0.049	0.988	0.27	0.706	0.951	0.734
Compound_902	CC(CC(c1sccc1NC(=O)c1cn(nc1C(F)(F)F)C)C)C	0.456	0.738	0.146	0.571	0.544	0.615	0.948	0.957	0.717	0.581	0.613
Compound_903	O=C(Oc1ccccc1)OCCOc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.613	0.705	0.999	0.765	0.98	0.869	0.99	0.914	0.608	0.429	0.423
Compound_904	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.79	0.592	0.982	0.754	0.859	0.708	0.981	0.803	0.422	0.83	0.963
Compound_905	CC(c1ccc(cc1)O)(c1cccc(c1)C(c1ccc(cc1)O)(C)C)C	0.943	0.591	0.751	0.648	0.995	1.0	0.823	0.938	0.69	0.941	0.891
Compound_906	O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1	0.427	0.722	0.765	0.755	0.905	0.898	0.968	0.98	0.397	0.051	0.553
Compound_907	OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C	0.608	0.889	0.97	0.833	0.093	0.904	0.79	0.852	0.408	0.096	0.438
Compound_908	CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.941	0.962	0.829	0.943	0.289	0.823	0.059	0.964	0.419	0.822	0.589
Compound_909	CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C	0.952	0.574	0.673	0.803	0.849	0.519	0.984	0.959	0.478	0.243	0.674
Compound_910	O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C	0.672	0.915	0.042	0.113	0.806	0.814	0.021	0.819	0.047	0.992	0.087
Compound_911	CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC	0.926	0.005	0.231	0.786	0.079	0.061	0.992	0.068	0.183	0.982	0.887
Compound_912	COC(c1ccccc1COc1cc(C)ccc1C)C(=O)NC	0.077	0.691	0.412	0.409	0.013	0.11	0.601	0.36	0.439	0.038	0.266
Compound_913	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C	0.952	0.907	0.068	0.373	0.984	0.996	0.006	0.065	0.045	0.998	0.934
Compound_914	CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1	0.561	0.325	0.264	0.465	0.126	0.098	0.974	0.196	0.498	0.674	0.087
Compound_915	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)N(CC)CC)CC	0.15	0.75	0.947	0.626	0.757	0.515	0.998	0.779	0.502	0.89	0.86
Compound_916	O=C(C1C(C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2	0.564	0.85	0.565	0.773	0.193	0.414	0.987	0.991	0.428	0.988	0.282
Compound_917	COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC	0.56	0.637	0.406	0.572	0.733	0.651	0.881	0.334	0.401	0.789	0.918
Compound_918	CCCCCCCCCCCC(=O)OCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.328	0.998	0.912
Compound_919	ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1ccc(cn1)C(F)(F)F)Cl	0.659	0.467	0.612	0.736	0.634	0.7	0.858	0.961	0.261	0.922	0.846
Compound_920	CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C	0.952	0.849	0.694	0.888	0.071	0.898	0.86	0.572	0.279	0.024	0.446
Compound_921	O[C@@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O	0.952	0.462	0.427	0.571	0.905	0.898	0.897	0.269	0.375	0.98	0.087
Compound_922	Cn1nc(c(c1)C(=O)Nc1cccc2c1C1CCC2C1=C(Cl)Cl)C(F)F	0.537	0.812	0.393	0.643	0.613	0.472	0.977	0.979	0.576	0.689	0.445
Compound_923	Brc1ccc(cc1)c1ccc(cc1)C1Cc2ccccc2C(C1)c1c(=O)sc2c(c1O)cccc2	0.642	0.65	0.471	0.607	0.577	0.686	0.992	0.94	0.432	0.946	0.932
Compound_924	CCOc1cc(ccc1C1COC(=N1)c1c(F)cccc1F)C(C)(C)C	0.35	0.54	0.956	0.682	0.587	0.717	0.409	0.775	0.477	0.708	0.631
Compound_925	Fc1ccc(cc1)Oc1cccc(c1)O[C@H]1C=C[C@H](C1)N(C(=O)N)O	0.575	0.541	0.722	0.455	0.844	0.898	0.69	0.921	0.542	0.153	0.723
Compound_926	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)N)C(=O)Nc1ccccc1	0.877	0.778	0.973	0.699	0.885	0.888	0.963	0.102	0.478	0.661	0.737
Compound_927	Oc1ccc2c(c1C=NN=Cc1c(O)ccc3c1cccc3)cccc2	0.54	0.783	0.909	0.649	0.97	0.975	0.265	0.99	0.534	0.958	0.955
Compound_928	Clc1ccc(cc1)c1ccccc1NC(=O)c1cccnc1Cl	0.636	0.779	0.992	0.769	0.093	0.435	0.938	0.087	0.601	0.691	0.543
Compound_929	Fc1ccc(cc1)[C@@]1(Cn2cncn2)O[C@@H]1c1ccccc1Cl	0.599	0.852	0.836	0.888	0.5	0.794	0.305	0.234	0.439	0.081	0.856
Compound_930	N[C@H]1C[C@H](NC(=N)C(=O)O)[C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O)C	0.11	0.637	0.002	0.162	0.139	0.29	0.001	0.128	0.075	0.114	0.032
Compound_931	Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)C	0.699	0.749	0.957	0.69	0.947	0.539	0.998	0.974	0.737	0.649	0.997
Compound_932	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_933	CCCCCCCCCCCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.846	0.782	1.0	0.999	0.986	1.0	0.94
Compound_934	CC(OC(=O)N[C@H](C(=O)NC(c1ccc(cc1)C)C)C(C)C)C	0.065	0.342	0.641	0.361	0.022	0.098	0.097	0.047	0.418	0.173	0.184
Compound_935	CCCCc1oc2c(c1C(=O)c1ccc(cc1)O)cc(cc2)N(=O)=O	0.219	0.634	0.355	0.544	0.796	0.87	0.993	0.857	0.631	0.963	0.918
Compound_936	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)OC(C(C(F)(F)F)F)(F)F	0.83	0.592	0.972	0.775	0.912	0.852	0.975	0.8	0.425	0.83	0.963
Compound_937	CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C	0.935	0.762	0.097	0.808	0.972	0.875	0.979	0.987	0.452	0.765	0.935
Compound_938	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.997	1.0	0.095	0.831	0.89	0.884	0.015	0.252	0.092	0.998	0.5
Compound_939	COc1cccc(c1C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C	0.242	0.642	0.631	0.322	0.109	0.902	0.661	0.569	0.489	0.146	0.372
Compound_940	O=C(OCC1CCC2C(C1)O2)CCCCC(=O)OCC1CCC2C(C1)O2	0.809	0.466	0.051	0.674	0.941	0.177	0.958	0.693	0.301	0.997	0.941
Compound_941	Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O	0.144	0.795	0.157	0.577	0.86	0.457	0.07	0.253	0.307	0.204	0.53
Compound_942	ClC(=C[C@H]1[C@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.784	0.425	0.864	0.721	0.929	0.359	0.95	0.559	0.288	0.983	0.577
Compound_943	ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl	0.784	0.425	0.864	0.721	0.929	0.359	0.95	0.559	0.288	0.983	0.577
Compound_944	CCOc1ccc(cc1)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)c(cc1Cl)Cl	0.847	0.787	0.972	0.761	0.679	0.734	0.976	0.978	0.445	0.975	0.899
Compound_945	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C	0.984	1.0	0.016	0.874	0.944	0.898	0.037	0.405	0.058	0.996	0.168
Compound_946	O=C(C(O)(C)C)c1ccc(cc1)Cc1ccc(cc1)C(=O)C(O)(C)C	0.289	0.571	0.362	0.496	0.124	0.85	0.588	0.112	0.422	0.077	0.937
Compound_947	Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O	0.952	0.683	0.866	0.634	1.0	0.991	0.997	0.09	0.457	0.881	0.92
Compound_948	CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl	0.811	0.891	0.896	0.938	0.571	0.764	0.013	0.711	0.384	0.548	0.71
Compound_949	NCCCC[C@@H](C(=O)NC[C@@H](C(=O)O)CC1(CCCC1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NS(=O)(=O)C	0.577	0.427	0.012	0.174	0.19	0.694	0.02	0.034	0.408	0.002	0.196
Compound_950	COC(=O)CCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Br)N(=O)=O)CCC(=O)OC	0.87	0.625	0.898	0.666	0.666	0.652	0.963	0.995	0.488	0.842	0.668
Compound_951	CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2	0.601	0.652	0.806	0.569	0.03	0.723	0.883	0.858	0.561	0.989	0.929
Compound_952	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)Cl	0.803	0.566	0.999	0.724	0.737	0.698	0.905	0.934	0.577	0.629	0.835
Compound_953	Cc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1)C)C(=O)C	0.685	0.686	0.999	0.73	0.89	0.87	0.915	0.661	0.503	0.993	0.692
Compound_954	CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC	0.874	0.011	0.221	0.748	0.106	0.104	0.994	0.597	0.353	0.996	0.871
Compound_955	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C	0.822	0.519	0.565	0.629	0.896	0.2	0.93	0.822	0.366	0.319	0.386
Compound_956	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.987	1.0	0.028	0.862	0.938	0.904	0.01	0.924	0.049	0.989	0.179
Compound_957	CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C	0.664	0.578	0.918	0.754	0.982	0.984	0.603	0.911	0.249	0.945	0.707
Compound_958	CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C	0.521	0.734	0.946	0.71	0.726	0.098	0.901	0.957	0.44	0.56	0.738
Compound_959	CCC(=O)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	0.036	0.832	0.947	0.908	0.037	0.835	0.142	1.0	0.304
Compound_960	COC(=O)c1cc(N=NC(C(=O)Nc2ccc3c(c2)[nH]c(=O)[nH]3)C(=O)C)cc(c1)C(=O)OC	0.514	0.692	0.998	0.543	0.219	0.731	0.058	0.138	0.456	0.838	0.653
Compound_961	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C	0.97	0.991	0.009	0.489	0.991	0.99	0.02	0.286	0.049	0.998	0.918
Compound_962	CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C	0.907	0.713	0.886	0.529	0.924	0.99	0.994	0.365	0.744	0.973	0.863
Compound_963	Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F	0.337	0.406	0.006	0.406	0.744	0.561	0.963	0.971	0.19	0.028	0.561
Compound_964	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O	0.981	0.993	0.013	0.367	0.984	0.961	0.067	0.082	0.124	0.998	0.918
Compound_965	CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C	0.778	0.637	0.372	0.282	0.06	0.903	0.683	0.943	0.501	0.525	0.566
Compound_966	CCC(c1cc(N=Nc2ccc(cc2)N(=O)=O)cc(c1O)C(CC)C)C	0.871	0.704	0.71	0.682	0.841	0.967	0.727	0.924	0.619	0.991	0.96
Compound_967	CCc1ccc(cc1)C1OC2COC(OC2C(O1)C(CO)O)c1ccc(cc1)CC	0.117	0.551	0.121	0.501	0.386	0.65	0.125	0.109	0.177	0.468	0.389
Compound_968	CN(C(=O)NC1(CCN(CC1)CCC[C@@]1(CCCN(C1)C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)c1ccccc1)C	0.315	0.233	0.311	0.212	0.093	0.098	0.901	0.893	0.499	0.069	0.092
Compound_969	COc1cc(c(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2)OC)S(=O)(=O)NC	0.603	0.584	0.975	0.564	0.689	0.653	0.655	0.88	0.409	0.612	0.334
Compound_970	CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C	0.863	0.523	0.851	0.607	0.093	0.098	0.991	0.993	0.459	0.995	0.949
Compound_971	CCCCOC(=O)c1ccccc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.752	0.675	0.964	0.685	0.759	0.734	0.701	0.66	0.467	0.299	0.658
Compound_972	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1OC)OC)C(=O)Nc1ccc(cc1)C(=O)N	0.811	0.775	0.983	0.735	0.835	0.748	0.967	0.188	0.418	0.92	0.804
Compound_973	N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)N(=O)=O)CCOC(=O)C	0.909	0.583	0.756	0.657	0.868	0.641	0.928	0.983	0.54	0.982	0.804
Compound_974	CCCCCCCCCCCCCN(CC(O)C)CC(O)C	0.566	0.075	0.053	0.115	0.061	0.599	0.29	0.141	0.486	0.295	0.234
Compound_975	COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC	0.653	0.81	0.467	0.331	0.871	0.701	0.988	0.206	0.734	0.213	0.807
Compound_976	O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F	0.686	0.638	0.811	0.608	0.679	0.644	0.764	0.973	0.404	0.981	0.586
Compound_977	Cc1cc(Cc2cc(C)cc(c2O)C2CCCCC2)c(c(c1)C1CCCCC1)O	0.733	0.607	0.272	0.613	0.929	0.987	0.153	0.834	0.845	0.884	0.5
Compound_978	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F	0.715	0.538	0.965	0.66	0.96	0.57	0.776	0.967	0.348	0.521	0.695
Compound_979	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F	0.715	0.538	0.965	0.66	0.96	0.57	0.776	0.967	0.348	0.521	0.695
Compound_980	OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C	0.956	1.0	0.03	0.986	0.683	0.918	0.008	0.051	0.058	0.017	0.056
Compound_981	N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_982	OC(=O)[C@@H](Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1	0.468	0.695	0.969	0.53	0.826	0.626	0.998	0.93	0.199	0.345	0.752
Compound_983	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_984	Cc1cc(Cc2cc(C)cc(c2O)C2(C)CCCCC2)c(c(c1)C1(C)CCCCC1)O	0.755	0.653	0.166	0.558	0.952	0.995	0.165	0.946	0.738	0.986	0.868
Compound_985	COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl	0.355	0.861	0.95	0.733	0.614	0.881	0.045	0.755	0.409	0.485	0.25
Compound_986	C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C	0.153	0.499	0.522	0.396	0.063	0.636	0.127	0.156	0.235	0.058	0.179
Compound_987	COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C	0.171	0.29	0.004	0.149	0.051	0.014	0.005	0.009	0.395	0.01	0.114
Compound_988	O=C(N1CCC(CC1)c1scc(n1)C1=NOC(C1)c1c(F)cccc1F)Cn1nc(cc1C)C(F)(F)F	0.648	0.639	0.27	0.627	0.666	0.71	0.871	0.974	0.395	0.111	0.213
Compound_989	Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(C)c(cc1C)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1C)C	0.853	0.772	0.823	0.684	0.926	0.841	0.914	0.961	0.527	0.994	0.792
Compound_990	OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC	0.13	0.522	0.001	0.348	0.251	0.656	0.001	0.314	0.103	0.008	0.158
Compound_991	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)N(=O)=O)C(=O)Nc1ccccc1	0.877	0.788	0.992	0.75	0.878	0.835	0.924	0.962	0.456	0.987	0.893
Compound_992	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(C(F)(F)F)Cl	0.952	0.506	0.824	0.812	0.975	0.333	0.818	0.15	0.366	0.906	0.54
Compound_993	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C(C(Br)(Br)Br)Br	0.872	0.52	0.831	0.789	0.819	0.62	0.911	0.849	0.421	0.445	0.687
Compound_994	N#C[C@@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H]1[C@H](C1(C)C)C=C(Cl)Cl	0.882	0.519	0.824	0.764	0.957	0.422	0.879	0.162	0.319	0.908	0.087
Compound_995	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.882	0.519	0.824	0.764	0.957	0.422	0.879	0.162	0.319	0.908	0.087
Compound_996	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_997	O=c1[nH]c2c([nH]1)ccc(c2)NC(=O)C(C(=O)C)N=Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)N	0.606	0.566	0.953	0.613	0.558	0.894	0.296	0.065	0.459	0.074	0.733
Compound_998	O=c1oc2ccccc2c(c1C1CC(Cc2c1cccc2)c1ccc(cc1)c1ccccc1)O	0.529	0.788	0.494	0.641	0.985	0.981	0.991	0.927	0.443	0.274	0.734
Compound_999	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(Br)Br	0.881	0.506	0.824	0.764	0.849	0.4	0.929	0.162	0.399	0.882	0.259
Compound_1000	Clc1c2C(=NC(=O)c2c(c(c1Cl)Cl)Cl)Nc1ccc(cc1)NC1=NC(=O)c2c1c(Cl)c(Cl)c(c2Cl)Cl	0.885	0.7	0.893	0.559	0.657	0.69	0.977	0.875	0.464	0.868	0.809