Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCCCCOC(=O)c1cc(O)c(c(c1)O)O	0.955	0.399	0.895	0.652	0.955	0.256	0.933	0.955	0.814	0.983	0.918
Compound_2	COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1OP(=O)([O-])[O-]	0.688	0.747	0.996	0.761	0.644	0.646	0.985	0.965	0.417	0.951	0.786
Compound_3	BrCC(=O)Oc1ccc(cc1)N(=O)=O	0.942	0.452	0.889	0.81	0.862	0.669	0.979	0.983	0.166	0.867	0.803
Compound_4	OC(=O)C=CC(=O)OCCOC(=O)C=C	0.947	0.138	0.101	0.465	0.912	0.867	0.988	0.996	0.913	0.835	0.905
Compound_5	Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O)O	0.895	0.824	0.979	0.894	0.854	0.666	0.846	0.979	0.822	0.012	0.972
Compound_6	Clc1ncc(c(n1)N)N(=O)=O	0.505	0.335	0.83	0.601	0.132	0.172	0.008	0.456	0.923	0.93	0.61
Compound_7	NC(=O)CNC(=O)CC(=O)C	0.019	0.132	0.01	0.184	0.012	0.007	0.0	0.014	0.428	0.039	0.216
Compound_8	CCOC(=O)n1cncc1	0.257	0.307	0.185	0.53	0.297	0.172	0.005	0.046	0.426	0.049	0.76
Compound_9	CCCCCCCCCCCCCCI	0.99	0.109	0.309	0.704	0.277	0.265	0.996	0.997	0.885	1.0	0.813
Compound_10	Cc1oc2c(n1)cc(c(c2)C)C	0.086	0.524	0.987	0.508	0.461	0.585	0.443	0.907	0.952	0.967	0.867
Compound_11	Clc1ccc2c(c1)nc(o2)C	0.138	0.543	0.977	0.532	0.549	0.582	0.086	0.796	0.967	0.932	0.825
Compound_12	CC(=O)Oc1c(F)c(F)c(c(c1F)F)F	0.738	0.171	0.613	0.639	0.437	0.023	0.959	0.582	0.57	0.976	0.144
Compound_13	CC(=O)Nc1cccc(c1)I	0.76	0.353	0.881	0.779	0.139	0.178	0.944	0.457	0.567	0.898	0.338
Compound_14	S=C=Nc1c(C)cccc1C	0.652	0.366	0.893	0.638	0.085	0.454	0.996	0.511	0.88	0.987	0.87
Compound_15	S=C=Nc1ccc(cc1C)Br	0.844	0.35	0.952	0.722	0.581	0.651	0.999	0.735	0.664	0.998	0.734
Compound_16	COC(=O)N(C(=O)OC)C#N	0.589	0.163	0.196	0.518	0.208	0.053	0.173	0.985	0.785	0.242	0.558
Compound_17	CCc1cc(O)c(cc1C(C)(C)C)C(C)(C)C	0.802	0.163	0.87	0.646	0.549	0.935	0.125	0.991	0.933	0.99	0.588
Compound_18	NCCN(c1cccc(c1)C)CC	0.084	0.383	0.22	0.415	0.022	0.057	0.002	0.182	0.578	0.543	0.144
Compound_19	CN(CCOC(=O)CCC(=O)OCCN(C)C)C	0.078	0.124	0.005	0.158	0.075	0.01	0.037	0.1	0.415	0.112	0.429
Compound_20	CC(=O)OCCN(c1ccccc1)CCOC(=O)C	0.442	0.532	0.771	0.61	0.336	0.063	0.158	0.709	0.482	0.611	0.525
Compound_21	NC(=S)Nc1ccc(c(c1)Cl)Cl	0.903	0.367	0.625	0.429	0.228	0.672	0.978	0.932	0.679	0.966	0.453
Compound_22	CCCCOC(C(=O)C)OCCCC	0.735	0.029	0.187	0.568	0.022	0.127	0.995	0.479	0.577	0.99	0.708
Compound_23	CCOC(C(=O)Cc1ccccc1)OCC	0.485	0.123	0.716	0.546	0.006	0.352	0.988	0.621	0.25	0.974	0.46
Compound_24	Ic1sc(c(c1I)I)I	0.933	0.545	0.94	0.588	0.407	0.743	0.995	0.941	0.848	0.999	0.421
Compound_25	O=C(c1cccc2c1c(ccc2)C(=O)c1ccccc1)c1ccccc1	0.952	0.725	0.914	0.576	0.254	0.513	0.98	0.916	0.773	0.874	0.998
Compound_26	Cc1cccc2c1[nH]c1c2CCCC1	0.21	0.4	0.763	0.562	0.577	0.699	0.97	0.53	0.831	0.499	0.268
Compound_27	COc1c(OC)ccc(c1O)C=O	0.591	0.192	0.23	0.671	0.692	0.3	0.078	0.005	0.695	0.236	0.273
Compound_28	CCOC(=O)COc1cc(Cl)c(cc1Cl)Cl	0.24	0.179	0.908	0.762	0.458	0.137	0.964	0.987	0.462	0.996	0.55
Compound_29	CCCCCCCCOC(=O)COc1ccc(cc1Cl)Cl	0.569	0.195	0.766	0.803	0.215	0.164	0.882	0.976	0.519	0.999	0.702
Compound_30	CCCOC(=O)COc1ccc(cc1Cl)Cl	0.18	0.125	0.853	0.764	0.133	0.111	0.75	0.949	0.467	0.999	0.515
Compound_31	CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC	0.966	0.108	0.591	0.596	0.09	0.108	0.993	0.27	0.756	0.995	0.825
Compound_32	Oc1ccc2c(c1)scc2	0.887	0.696	0.839	0.585	0.518	0.696	0.905	0.375	0.941	0.951	0.23
Compound_33	N#Cc1cc(N(=O)=O)c(c(c1)N(=O)=O)Cl	0.991	0.371	0.605	0.702	0.599	0.294	0.997	0.995	0.668	0.999	0.949
Compound_34	CCN(C(=O)c1ccccc1O)CC	0.167	0.544	0.351	0.643	0.018	0.391	0.095	0.092	0.134	0.044	0.047
Compound_35	Nc1ccc2c(n1)[nH]c(=O)cc2	0.493	0.635	0.763	0.511	0.072	0.566	0.051	0.263	0.775	0.032	0.194
Compound_36	ClC(=O)CC(=C)C(=O)Cl	0.953	0.135	0.358	0.667	0.26	0.072	0.998	0.999	0.735	0.997	0.997
Compound_37	O=C(OCc1ccccc1)CCCCCCCC(=O)OCc1ccccc1	0.689	0.54	0.508	0.599	0.367	0.617	0.995	0.905	0.08	0.992	0.934
Compound_38	Nc1ccc2c(c1)cn[nH]2	0.422	0.634	0.999	0.593	0.537	0.644	0.15	0.87	0.841	0.812	0.756
Compound_39	N#CSCC(=O)c1ccc(cc1)Cl	0.791	0.195	0.484	0.613	0.43	0.488	0.996	0.741	0.429	0.973	0.971
Compound_40	ClCCCCCC(=O)Cl	0.952	0.065	0.291	0.683	0.209	0.101	0.996	0.998	0.042	1.0	0.992
Compound_41	CN(C(=O)c1ccccc1)c1ccccc1	0.914	0.699	0.711	0.471	0.079	0.811	0.495	0.485	0.429	0.961	0.634
Compound_42	CC1(C)NCCS1	0.028	0.438	0.014	0.342	0.082	0.013	0.003	0.002	0.259	0.001	0.246
Compound_43	CC(=C)C(=O)Oc1cccc2c1nccc2	0.75	0.698	0.84	0.587	0.277	0.246	0.276	0.962	0.247	0.969	0.841
Compound_44	O=N(=O)c1ccc2c(c1)CCCC2	0.91	0.384	0.693	0.614	0.567	0.548	0.999	0.955	0.87	1.0	0.934
Compound_45	NNC(=O)c1ccc(cc1)N(C)C	0.656	0.296	0.985	0.374	0.098	0.716	0.402	0.086	0.704	0.199	0.224
Compound_46	N#CC(N)(C)C	0.26	0.113	0.114	0.423	0.041	0.016	0.238	0.151	0.704	0.691	0.585
Compound_47	O[C@H]1CCC(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C1	0.954	0.99	0.154	0.716	0.884	0.898	0.682	0.99	0.319	0.998	0.914
Compound_48	OCC(=O)C1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C	0.982	1.0	0.028	0.945	0.575	0.9	0.067	0.162	0.041	0.058	0.077
Compound_49	ClC(=O)Oc1ccccc1C	0.721	0.19	0.833	0.71	0.127	0.063	0.256	0.962	0.621	0.987	0.414
Compound_50	OC(=O)COc1ccc(cc1)C(=O)O	0.201	0.097	0.191	0.282	0.428	0.246	0.921	0.213	0.164	0.019	0.345
Compound_51	Brc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N	0.291	0.265	0.1	0.273	0.526	0.652	0.002	0.247	0.214	0.007	0.181
Compound_52	CCCCSCCC=O	0.684	0.06	0.149	0.566	0.141	0.31	0.997	0.436	0.511	1.0	0.89
Compound_53	BrCC(=O)c1cccc(c1)OCc1ccccc1	0.488	0.663	0.807	0.812	0.884	0.89	0.996	0.849	0.394	0.939	0.987
Compound_54	CCCc1cc2OCOc2cc1CCl	0.726	0.348	0.849	0.713	0.347	0.515	0.967	0.879	0.549	1.0	0.89
Compound_55	CCOC(=O)CC(=O)C12CC3CC(C2)CC(C1)C3	0.894	0.337	0.364	0.518	0.588	0.524	0.976	0.863	0.336	0.919	0.948
Compound_56	O=N(=O)c1ccc(cc1)Sc1nc2c(s1)cccc2	0.885	0.565	0.982	0.654	0.616	0.678	0.983	0.989	0.771	0.997	0.776
Compound_57	Clc1cccc(c1Br)Cl	0.982	0.074	0.967	0.576	0.337	0.651	0.998	0.959	0.766	1.0	0.54
Compound_58	O=C(N1CN(c2ccccc2)C(=O)c2c1cccc2)CN1CCOCC1	0.465	0.716	0.349	0.161	0.676	0.293	0.033	0.146	0.303	0.14	0.242
Compound_59	OCc1cn(c(=O)[nH]c1=O)[C@@H]1O[C@@H](C(C1O)O)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N	0.457	0.308	0.001	0.306	0.228	0.191	0.003	0.086	0.232	0.071	0.725
Compound_60	CC(C(=O)OCCOCCCC)Oc1cc(Cl)c(cc1Cl)Cl	0.431	0.229	0.501	0.76	0.463	0.147	0.938	0.985	0.494	0.999	0.64
Compound_61	C/C(=C(\Br)/C)/Br	0.93	0.273	0.428	0.627	0.158	0.021	0.997	0.99	0.941	0.999	0.92
Compound_62	C=CC1(O)CCCCC1	0.906	0.233	0.086	0.563	0.446	0.171	0.954	0.963	0.455	0.898	0.305
Compound_63	Oc1cc(Cl)c(cc1Cl)Br	0.948	0.146	0.429	0.637	0.679	0.652	0.985	0.995	0.827	0.997	0.972
Compound_64	Clc1cc(Cc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O	0.682	0.536	0.622	0.626	0.772	0.636	0.874	0.988	0.851	0.969	0.935
Compound_65	BrC1c2ccccc2c2c1cccc2	0.866	0.646	0.961	0.831	0.484	0.524	0.925	0.967	0.808	1.0	0.902
Compound_66	CC(=O)Nc1cccc(c1C(=O)O)Cl	0.269	0.537	0.397	0.409	0.575	0.362	0.803	0.166	0.645	0.449	0.443
Compound_67	OOC(=O)CCCCCCCC(=O)OO	0.929	0.043	0.392	0.547	0.121	0.06	0.251	0.972	0.019	0.677	0.416
Compound_68	CCSC(=CN(=O)=O)SCC	0.679	0.192	0.407	0.495	0.418	0.337	0.664	0.295	0.463	0.998	0.873
Compound_69	CCCC#CCCC	0.806	0.148	0.287	0.547	0.086	0.705	0.996	0.897	0.791	1.0	0.709
Compound_70	CCN(c1cc(ccc1OC)NC(=O)C)CC	0.177	0.545	0.653	0.527	0.075	0.154	0.002	0.061	0.835	0.033	0.069
Compound_71	N#CCCN(c1cc(ccc1OC)NC(=O)C)CC	0.295	0.463	0.095	0.496	0.188	0.191	0.002	0.541	0.674	0.007	0.241
Compound_72	O=Cc1ccccc1Oc1ccccc1	0.727	0.717	0.494	0.592	0.242	0.558	0.975	0.49	0.891	0.907	0.946
Compound_73	ClN1CCCCCC1=O	0.334	0.35	0.301	0.65	0.062	0.181	0.172	0.992	0.473	0.977	0.655
Compound_74	CCNCCCCNCC	0.029	0.054	0.034	0.355	0.017	0.006	0.0	0.034	0.439	0.881	0.201
Compound_75	O=C(c1ccccn1)c1ccccn1	0.218	0.68	0.624	0.527	0.072	0.712	0.003	0.973	0.809	0.825	0.943
Compound_76	OCCCN(CCN(CCCO)CCCO)CCN(CCCO)CCCO	0.021	0.096	0.079	0.116	0.063	0.369	0.031	0.263	0.061	0.11	0.334
Compound_77	ClCCN=C=O	0.636	0.132	0.642	0.646	0.12	0.087	0.541	0.995	0.914	0.875	0.9
Compound_78	CCCCCCCCCCCCCCCCN=C=O	0.947	0.11	0.498	0.567	0.082	0.803	0.996	0.901	0.973	0.981	0.678
Compound_79	Cc1ccc2c(c1)C(=O)OC2=O	0.709	0.112	0.984	0.546	0.052	0.05	0.978	0.017	0.632	0.094	0.326
Compound_80	CC1=CC2C(CC1)C(=O)OC2=O	0.793	0.389	0.601	0.595	0.178	0.025	0.885	0.994	0.771	0.899	0.611
Compound_81	COC(=O)Nc1ccc(cc1)N(=O)=O	0.937	0.327	0.967	0.703	0.136	0.829	0.873	0.956	0.173	0.859	0.295
Compound_82	OC1(CCCCC1)Cc1ccccc1	0.337	0.389	0.106	0.54	0.197	0.415	0.797	0.635	0.363	0.931	0.33
Compound_83	c1ccc2c(c1)sc(n2)Cc1nc2c(s1)cccc2	0.776	0.696	0.989	0.581	0.556	0.881	0.976	0.819	0.962	0.921	0.54
Compound_84	COc1cc(C=O)cc(c1O)Cl	0.67	0.139	0.274	0.651	0.636	0.439	0.69	0.092	0.583	0.934	0.624
Compound_85	OC(=O)CCCCCNC(=O)OCc1ccccc1	0.057	0.202	0.267	0.127	0.012	0.26	0.009	0.664	0.316	0.052	0.188
Compound_86	N#CCc1ccccc1Br	0.922	0.151	0.687	0.655	0.177	0.696	0.997	0.891	0.742	0.969	0.827
Compound_87	COC(=O)c1ccc(cc1)/C=C/C(=O)[O-]	0.933	0.201	0.477	0.429	0.034	0.132	0.985	0.13	0.863	0.951	0.795
Compound_88	NCCCNCCCNCCCN(C)C	0.039	0.178	-0.0	0.181	0.018	0.011	0.0	0.722	0.187	0.042	0.187
Compound_89	N#N=Cc1ccc(cc1)N(=O)=O	0.949	0.272	0.952	0.534	0.215	0.154	0.977	0.969	0.797	0.997	0.916
Compound_90	N1CCN(CC1)CCN1CCNCC1	0.04	0.183	0.005	0.176	0.014	0.007	0.0	0.534	0.342	0.006	0.055
Compound_91	C=CCC(=O)OC=C	0.788	0.055	0.558	0.659	0.279	0.022	0.999	1.0	0.174	0.971	0.88
Compound_92	OC(=O)Cc1cc(I)c(c(c1)I)O	0.114	0.214	0.105	0.459	0.847	0.114	0.988	0.093	0.221	0.532	0.345
Compound_93	O=Cc1cc(I)c(c(c1)I)O	0.879	0.194	0.301	0.617	0.708	0.342	0.973	0.91	0.396	0.917	0.597
Compound_94	CCCCCCCCCCCCCS	0.921	0.06	0.113	0.556	0.212	0.261	0.998	0.494	0.997	0.997	0.664
Compound_95	Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N(=O)=O	0.784	0.27	0.82	0.59	0.399	0.499	0.455	0.749	0.291	0.641	0.5
Compound_96	CC(=O)Nc1c(I)c(N(C(=O)C)C)c(c(c1I)C(=O)O)I	0.041	0.462	0.04	0.317	0.136	0.227	0.004	0.048	0.198	0.057	0.122
Compound_97	CCOC(=O)c1cc(N)cc(c1)N	0.346	0.276	0.995	0.653	0.058	0.213	0.657	0.006	0.442	0.019	0.618
Compound_98	O=CC[C@H]([C@H]([C@@H](CO)O)O)O	0.393	0.086	0.069	0.384	0.094	0.499	0.008	0.016	0.063	0.103	0.126
Compound_99	CC(=O)c1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.814	0.731	0.968	0.714	0.103	0.148	0.996	0.718	0.826	0.491	0.989
Compound_100	COCC(=O)OC(=O)COC	0.795	0.024	0.378	0.512	0.024	0.037	0.906	0.979	0.658	0.688	0.771
Compound_101	CCCCC(/C=C(\C=CC=CC(=O)N1CCCC1=O)/C)O	0.515	0.641	0.662	0.668	0.226	0.57	0.372	0.952	0.454	0.116	0.264
Compound_102	NNS(=O)(=O)c1ccc(cc1)OC	0.443	0.294	0.333	0.347	0.099	0.409	0.059	0.003	0.275	0.012	0.389
Compound_103	CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)O)cccc2	0.102	0.531	0.165	0.371	0.87	0.633	0.992	0.887	0.414	0.974	0.77
Compound_104	[O-]C(=O)c1n(C)c(C(=O)[O-])c(c(=O)c1I)I	0.262	0.281	0.043	0.388	0.645	0.316	0.588	0.094	0.328	0.07	0.491
Compound_105	CCOC(=O)C(C(=O)OCC)CCC=O	0.748	0.022	0.316	0.635	0.076	0.285	0.967	0.581	0.309	0.883	0.9
Compound_106	CC(=O)/C(=C/C=C/c1ccccc1)/C	0.957	0.437	0.974	0.719	0.035	0.073	0.795	0.978	0.956	0.998	0.879
Compound_107	CC(=O)OCCN(Cc1ccccc1)Cc1ccccc1	0.074	0.562	0.207	0.138	0.12	0.386	0.261	0.029	0.511	0.128	0.07
Compound_108	NCCNC(C)C	0.03	0.068	0.014	0.221	0.01	0.003	0.0	0.004	0.102	0.019	0.184
Compound_109	CCOc1ccc2c(c1C=O)cccc2	0.455	0.709	0.769	0.546	0.308	0.766	0.835	0.793	0.523	0.955	0.979
Compound_110	N#Cc1c(C#N)c(Cl)c(c(c1Cl)Cl)Cl	0.944	0.165	0.605	0.63	0.911	0.585	0.996	0.957	0.782	0.994	0.918
Compound_111	OC(=O)COc1cc(C)c(c(c1)C)Cl	0.107	0.121	0.115	0.383	0.159	0.07	0.575	0.045	0.353	0.75	0.097
Compound_112	CNC(=O)NC(C(Cl)(Cl)Cl)O	0.239	0.109	0.061	0.443	0.051	0.037	0.001	0.141	0.12	0.056	0.696
Compound_113	CNC(=O)c1cc(N)cc(c1)C(=O)O	0.218	0.323	0.081	0.245	0.011	0.114	0.009	0.211	0.546	0.005	0.085
Compound_114	CC(CCC(=O)C(C)C)C	0.944	0.032	0.738	0.44	0.04	0.009	0.933	0.05	0.082	0.895	0.757
Compound_115	CC(CCC(C#C)(O)C)C	0.87	0.146	0.351	0.475	0.085	0.28	0.581	0.25	0.233	0.198	0.413
Compound_116	COC(=O)c1cc(cc(c1)N(=O)=O)C(=O)Cl	0.788	0.306	0.958	0.69	0.09	0.259	0.987	0.789	0.538	0.986	0.746
Compound_117	Oc1cc(I)c(c(c1)I)O	0.918	0.19	0.621	0.583	0.771	0.25	0.924	0.62	0.397	0.966	0.719
Compound_118	CCOC(=O)c1cn(CC)c2c(c1=O)cnc(n2)OC	0.267	0.645	0.994	0.541	0.082	0.2	0.003	0.016	0.293	0.06	0.551
Compound_119	CC(c1cc(cc(c1)C(O)(C)C)C(O)(C)C)(O)C	0.367	0.117	0.396	0.581	0.115	0.057	0.594	0.371	0.681	0.347	0.582
Compound_120	O=N(=O)c1ccc(cc1)Sc1ncccn1	0.824	0.489	0.842	0.57	0.397	0.521	0.093	0.837	0.305	0.963	0.824
Compound_121	CC(=O)Nc1ccccc1I	0.656	0.438	0.891	0.636	0.139	0.178	0.944	0.559	0.589	0.931	0.39
Compound_122	CCCCCCCC(=O)CC(C)C	0.979	0.024	0.661	0.541	0.042	0.013	0.963	0.796	0.594	1.0	0.905
Compound_123	ClC(=O)c1ccccc1SSc1ccccc1C(=O)Cl	0.899	0.439	0.857	0.702	0.739	0.613	0.998	0.89	0.791	0.993	0.893
Compound_124	CSc1ccccc1Br	0.94	0.302	0.863	0.688	0.288	0.365	0.999	0.153	0.64	0.996	0.468
Compound_125	CC(c1ccc(c(c1)SSc1cc(ccc1O)C(C)(C)C)O)(C)C	0.9	0.455	0.674	0.613	0.727	0.744	0.836	0.216	0.702	0.999	0.846
Compound_126	O=C(c1ccccc1)Nc1ccc(cc1)C(=O)c1ccccc1	0.944	0.721	0.976	0.743	0.744	0.996	0.998	0.52	0.757	0.875	0.903
Compound_127	N#Cc1ccc(c(c1)C#N)N	0.792	0.322	0.91	0.592	0.564	0.175	0.994	0.728	0.945	0.981	0.79
Compound_128	COC(=O)OCCN(c1ccccc1)CCOC(=O)OC	0.34	0.545	0.88	0.549	0.245	0.153	0.14	0.885	0.379	0.167	0.531
Compound_129	CCCCCCCCOc1nc(N)nc(n1)N	0.828	0.319	0.42	0.534	0.034	0.093	0.048	0.157	0.809	0.798	0.739
Compound_130	c1ccc2c(c1)ccc1c2c2ccc3c4c2c(c1)ccc4ccc3	0.988	0.649	0.977	0.697	0.937	0.898	0.998	0.924	0.918	1.0	0.952
Compound_131	O=C1C=C(Br)C(=O)C(=C1)Br	0.963	0.373	0.637	0.702	0.744	0.277	0.964	0.999	0.934	0.997	0.91
Compound_132	ClC1C(=O)NC(=O)NC1=O	0.308	0.221	0.185	0.366	0.306	0.118	0.533	0.956	0.328	0.345	0.539
Compound_133	Oc1ccc(cc1)Oc1ccc(cc1)O	0.953	0.815	0.896	0.681	0.905	0.898	0.991	0.827	0.98	0.283	0.951
Compound_134	CCOC(=O)CCN1CCCCC1	0.133	0.239	0.124	0.222	0.026	0.054	0.009	0.279	0.183	0.481	0.138
Compound_135	O=C1c2cccc(c2C(=O)c2c1cccc2)Nc1nc(nc(n1)Oc1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)cccc1	0.802	0.599	0.984	0.697	0.912	0.839	0.898	0.761	0.725	0.104	0.945
Compound_136	CNCc1ccc(c(c1)N)S(=O)(=O)O	0.193	0.315	0.852	0.252	0.82	0.349	0.022	0.035	0.283	0.001	0.192
Compound_137	Nc1cc2c(c(c1)S(=O)(=O)O)c(N)ccc2S(=O)(=O)O	0.69	0.298	0.992	0.497	0.554	0.696	0.785	0.296	0.47	0.154	0.435
Compound_138	BrC(CBr)COC(=O)C=C	0.96	0.126	0.76	0.792	0.681	0.36	1.0	1.0	0.873	0.999	0.959
Compound_139	CNC(=O)OCc1ccc(c(c1)Cl)Cl	0.223	0.328	0.797	0.355	0.182	0.221	0.044	0.962	0.54	0.439	0.194
Compound_140	OC(=O)c1ccc(c(c1)Cl)C(=O)O	0.575	0.096	0.487	0.509	0.583	0.314	0.713	0.805	0.687	0.666	0.424
Compound_141	c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2	0.456	0.623	0.979	0.542	0.469	0.718	0.988	0.942	0.914	0.939	0.946
Compound_142	COCCOCCOCCOCC=C	0.953	0.115	0.564	0.627	0.706	0.453	0.996	0.952	0.395	0.994	0.831
Compound_143	CC(CBr)O	0.606	0.072	0.059	0.574	0.136	0.036	0.963	0.516	0.095	0.737	0.8
Compound_144	ClCc1ccc(cc1)C(C)(C)C	0.773	0.189	0.794	0.688	0.405	0.595	0.913	0.928	0.9	0.989	0.428
Compound_145	CCC(N=NC(CC)(C)C)(C)C	0.401	0.042	0.038	0.507	0.037	0.047	0.337	0.758	0.735	0.527	0.623
Compound_146	OCN1CNCN(C1=O)CO	0.221	0.22	0.003	0.266	0.106	0.023	0.001	0.012	0.279	0.002	0.3
Compound_147	Clc1c(Cl)c(N)c2c(c1N)C(=O)c1c(C2=O)c(N)ccc1O	0.738	0.641	0.993	0.739	0.728	0.643	0.994	0.983	0.631	0.839	1.0
Compound_148	C=CC(=O)OCCSCCOC(=O)C=C	0.827	0.124	0.472	0.741	0.912	0.776	1.0	0.998	0.702	1.0	0.974
Compound_149	C=CC(=O)OCCN1CCOCC1	0.197	0.292	0.132	0.291	0.532	0.17	0.229	0.988	0.36	0.771	0.273
Compound_150	O=N(=O)c1ccc2c(c1)NCC2	0.473	0.425	0.898	0.341	0.233	0.215	0.025	0.689	0.782	0.046	0.577
Compound_151	C[C@H]([C@@H](C(=O)[O-])NC(=O)OCc1ccccc1)O	0.039	0.317	0.054	0.305	0.023	0.026	0.004	0.581	0.197	0.087	0.27
Compound_152	c1ccc(cc1)Nc1nc(nc(n1)Nc1ccccc1)Nc1ccccc1	0.962	0.772	0.986	0.624	0.914	0.95	0.159	0.971	0.882	0.734	0.785
Compound_153	CCc1ccccc1Br	0.917	0.15	0.738	0.64	0.094	0.685	0.996	0.781	0.736	0.999	0.313
Compound_154	Cc1[nH]n(c(=O)c1)c1ccccc1	0.06	0.335	0.234	0.577	0.241	0.387	0.365	0.041	0.738	0.045	0.216
Compound_155	CC(OC(=O)NNC(=O)OC(C)C)C	0.395	0.158	0.306	0.313	0.16	0.199	0.652	0.187	0.511	0.774	0.21
Compound_156	NCC(=O)c1ccc(cc1)O	0.333	0.139	0.137	0.407	0.234	0.936	0.003	0.077	0.54	0.0	0.109
Compound_157	CC(=O)NCSC[C@@H](C(=O)O)NC(=O)OC(C)(C)C	0.024	0.11	0.004	0.162	0.277	0.023	0.001	0.038	0.337	0.061	0.33
Compound_158	COc1cccc(c1)c1nnc(o1)c1cccc(c1)OC	0.272	0.662	0.869	0.816	0.507	0.611	0.87	0.909	0.453	0.227	0.765
Compound_159	Clc1cc(Cl)cc(c1)Br	0.986	0.145	0.84	0.622	0.315	0.352	0.999	0.93	0.891	0.999	0.3
Compound_160	OC(=O)c1ccc(cc1C)N(=O)=O	0.748	0.142	0.29	0.444	0.143	0.115	0.993	0.921	0.667	0.937	0.757
Compound_161	[O-]C(=O)c1cc(ccc1C)N(=O)=O	0.947	0.178	0.917	0.386	0.207	0.064	0.995	0.954	0.533	0.985	0.779
Compound_162	CCCCCCCCCCCCSCCC(=O)OC	0.844	0.017	0.145	0.653	0.5	0.174	1.0	0.954	0.422	0.993	0.931
Compound_163	c1cc2c3c(c1)c1ccccc1c3c1c3c2c2ccccc2c3ccc1	0.988	0.725	0.977	0.613	0.952	0.853	0.993	0.845	0.94	0.999	0.935
Compound_164	C1CCN(CC1)CCOc1nsc2c1cccc2	0.29	0.615	0.304	0.149	0.17	0.684	0.017	0.624	0.349	0.924	0.307
Compound_165	COc1cc(ccc1O)C(=O)COC(=O)c1cccnc1	0.378	0.528	0.918	0.611	0.117	0.239	0.075	0.008	0.253	0.007	0.793
Compound_166	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)C	0.969	0.079	0.439	0.734	0.767	0.587	0.998	0.998	0.945	0.995	0.894
Compound_167	CCCCCCCC(=O)CCCC	0.979	0.019	0.315	0.548	0.048	0.024	0.991	0.667	0.565	1.0	0.929
Compound_168	CCCCC(CC)(CC)O	0.839	0.099	0.061	0.568	0.062	0.028	0.821	0.652	0.576	0.98	0.724
Compound_169	CCC1=C(C)CCC1	0.988	0.298	0.702	0.532	0.209	0.022	0.997	0.977	0.894	1.0	0.964
Compound_170	OCCCC1CCN(CC1)CCO	0.198	0.143	0.247	0.183	0.014	0.096	0.002	0.18	0.1	0.045	0.016
Compound_171	CCCCCCCCCCCCCCCCCC1CCCCC1	0.993	0.099	0.294	0.561	0.179	0.188	0.999	0.905	1.012	1.0	0.5
Compound_172	Fc1ccc(cc1)C1=CCNCC1	0.08	0.368	0.159	0.45	0.032	0.147	0.006	0.184	0.699	0.017	0.013
Compound_173	COC(=O)c1noc(c1)C	0.379	0.29	0.449	0.43	0.37	0.357	0.949	0.021	0.871	0.242	0.787
Compound_174	ClCc1c(C)noc1C	0.604	0.399	0.692	0.538	0.5	0.329	0.961	0.5	0.992	0.491	0.96
Compound_175	C=Cc1ccccc1C(C)(C)C	0.904	0.2	0.761	0.605	0.124	0.041	0.872	0.911	0.922	0.998	0.489
Compound_176	CN(CCCNC(=O)c1cc2ccccc2cc1O)C	0.223	0.652	0.015	0.218	0.095	0.974	0.197	0.756	0.543	0.003	0.021
Compound_177	O=C1c2c(cccc2C(=O)c2c1cccc2)Nc1ccccc1C(=O)O	0.518	0.722	0.422	0.275	0.942	0.771	0.998	0.494	0.636	0.358	0.902
Compound_178	CCN1CCCCCC1=O	0.59	0.333	0.294	0.486	0.05	0.154	0.031	0.059	0.298	0.957	0.467
Compound_179	CSc1nc(O)cc(=O)[nH]1	0.088	0.381	0.162	0.427	0.329	0.061	0.453	0.046	0.38	0.013	0.546
Compound_180	OC(=O)Cc1cccc(c1)CC(=O)O	0.032	0.117	0.254	0.227	0.058	0.04	0.784	0.017	0.258	0.029	0.144
Compound_181	Brc1cnc[nH]c1=O	0.248	0.402	0.169	0.424	0.165	0.038	0.12	0.133	0.726	0.197	0.482
Compound_182	O=c1cc(C)[nH]c(n1)N(C)C	0.142	0.371	0.17	0.423	0.166	0.032	0.009	0.086	0.554	0.125	0.235
Compound_183	Clc1ccc(c(c1)Cl)C(=O)c1ccccc1	0.897	0.465	0.709	0.725	0.812	0.841	0.95	0.877	0.702	0.999	0.993
Compound_184	OCCOCCOCCOCCOC(=O)C=C	0.953	0.284	0.125	0.69	0.906	0.946	0.807	0.97	0.632	0.941	0.669
Compound_185	CCOC(=O)CCCCCCCCCCCCC(=O)OCC	0.902	0.016	0.551	0.688	0.096	0.106	0.998	0.583	0.043	0.996	0.926
Compound_186	OCCCCCCCCCCCCCCO	0.928	0.166	0.115	0.517	0.13	0.168	0.92	0.319	0.086	0.333	0.612
Compound_187	Oc1ccc(cc1)c1ccc(cc1)C(C)(C)C	0.908	0.551	0.818	0.737	0.925	0.994	0.958	0.939	0.618	0.888	0.69
Compound_188	OCCc1ccccc1Cl	0.174	0.124	0.951	0.633	0.314	0.288	0.985	0.54	0.285	0.784	0.611
Compound_189	CC1=CCC(C(=O)CC1)(C)C	0.977	0.242	0.698	0.601	0.271	0.023	0.921	0.808	0.484	1.0	0.896
Compound_190	CN1CCC(C1)CN1c2ccccc2Sc2c1cccc2	0.035	0.678	0.087	0.222	0.911	0.102	0.015	0.017	0.083	0.015	0.087
Compound_191	NC(=O)COc1ccc(cc1Cl)Cl	0.17	0.285	0.736	0.43	0.079	0.242	0.258	0.086	0.574	0.304	0.21
Compound_192	CCC(=O)c1cccc(c1)Br	0.902	0.104	0.699	0.621	0.555	0.265	0.957	0.717	0.346	0.989	0.52
Compound_193	OC(=O)c1ccc(c(c1O)O)C(=O)O	0.4	0.155	0.166	0.396	0.275	0.084	0.082	0.224	0.516	0.36	0.161
Compound_194	ClCP(=O)(Cl)Cl	0.856	0.212	0.407	0.681	0.749	0.135	0.923	0.999	0.976	0.996	0.725
Compound_195	OC[C@@H]1O[C@H](Oc2cc3oc(c4ccc(c(c4)O)O)c(c(=O)c3c(c2OC)O)O)[C@H]([C@@H]([C@H]1O)O)O	0.664	0.536	0.223	0.633	0.911	0.431	0.172	0.831	0.374	0.043	0.831
Compound_196	O=C1OCCN1C	0.066	0.358	0.641	0.647	0.014	0.011	0.102	0.169	0.24	0.019	0.277
Compound_197	Nc1ccc2c(c1)[nH]c(=O)cc2C	0.241	0.712	0.796	0.443	0.54	0.558	0.931	0.529	0.946	0.077	0.392
Compound_198	[O-]P(=O)(CP(=O)(O)[O-])O	0.445	0.154	0.019	0.301	0.649	0.238	0.131	0.006	0.731	0.092	0.451
Compound_199	N1CCC(CC1)C(c1ccccc1)c1ccccc1	0.021	0.265	0.04	0.277	0.059	0.353	0.06	0.016	0.312	0.031	0.016
Compound_200	COc1cc(Cl)ccc1Cl	0.866	0.172	0.841	0.688	0.447	0.335	0.794	0.027	0.824	0.99	0.752
Compound_201	COc1cccc(c1Cl)Cl	0.899	0.172	0.917	0.661	0.487	0.581	0.878	0.617	0.792	0.99	0.752
Compound_202	c1nccnc1C#N	0.547	0.288	0.594	0.508	0.378	0.129	0.018	0.283	0.953	0.753	0.896
Compound_203	O=C(c1ccc(cc1)C(=O)OCc1ccccc1)OCc1ccccc1	0.65	0.551	0.88	0.613	0.799	0.972	0.995	0.087	0.861	0.882	0.945
Compound_204	Clc1ccc(c(c1C)Cl)N	0.901	0.173	0.895	0.566	0.238	0.177	0.997	0.954	0.851	0.985	0.249
Compound_205	c1ccc(cc1)CN1CCC2(CC1)OC2	0.094	0.463	0.015	0.069	0.093	0.593	0.005	0.018	0.374	0.108	0.347
Compound_206	CCCCCCCCS(=O)CCCCCCCC	0.852	0.111	0.315	0.548	0.269	0.164	0.996	0.667	0.48	1.0	0.652
Compound_207	CC(CC(C)(C)C)(SSc1nnc(s1)SSC(CC(C)(C)C)(C)C)C	0.801	0.428	0.08	0.471	0.607	0.681	0.951	0.238	0.489	0.714	0.696
Compound_208	CC(=O)OCC1OC(S)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.8	0.473	0.051	0.643	0.284	0.241	0.981	0.181	0.929	0.017	0.656
Compound_209	CCN(CCOc1ccc(cc1)N(=O)=O)CC	0.664	0.453	0.306	0.528	0.743	0.779	0.042	0.593	0.064	0.38	0.654
Compound_210	O=COc1ccc2c(c1)cccc2	0.918	0.736	0.958	0.733	0.561	0.359	1.0	0.838	0.726	0.969	0.839
Compound_211	CCC(C(=O)O)(CC)C	0.514	0.012	0.076	0.163	0.072	0.006	0.905	0.258	0.152	0.164	0.421
Compound_212	CC(c1ccc(cc1)Cl)(O)C	0.421	0.159	0.768	0.674	0.445	0.203	0.711	0.236	0.396	0.349	0.611
Compound_213	OC(=O)C1c2ccccc2c2c1cccc2	0.085	0.576	0.4	0.323	0.354	0.388	0.962	0.216	0.143	0.641	0.779
Compound_214	COc1cccc(c1C(=O)Cl)OC	0.735	0.214	0.844	0.732	0.371	0.218	0.327	0.418	0.898	0.563	0.722
Compound_215	O=C1C=CC(=O)N1c1cccc(c1C)N1C(=O)C=CC1=O	0.361	0.439	0.678	0.622	0.175	0.587	0.46	0.241	0.807	0.933	0.438
Compound_216	OCC1(CO)COC(=N1)CCCCC1=NC(CO1)(CO)CO	0.437	0.39	0.096	0.627	0.068	0.597	0.055	0.146	0.257	0.011	0.66
Compound_217	Cc1cnccc1N	0.086	0.313	0.667	0.511	0.027	0.123	0.002	0.055	0.81	0.645	0.073
Compound_218	COc1cc(c(cc1C(C)(C)C)O)C(C)(C)C	0.788	0.112	0.889	0.605	0.514	0.314	0.052	0.635	0.783	0.914	0.652
Compound_219	[O-]C(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1C	0.084	0.341	0.042	0.318	0.021	0.083	0.011	0.081	0.221	0.066	0.579
Compound_220	N#CCc1cccc(c1)OC	0.656	0.128	0.764	0.691	0.275	0.08	0.922	0.522	0.473	0.24	0.532
Compound_221	CC(c1cc(cc(c1)C(OOC(C)(C)C)(C)C)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C	0.781	0.19	0.37	0.55	0.08	0.16	0.95	0.337	0.786	0.915	0.608
Compound_222	N#CCCn1c(cc2c1cccc2)c1ccccc1	0.85	0.604	0.936	0.773	0.862	0.81	0.973	0.99	0.751	0.339	0.849
Compound_223	CCOP(=O)(C(C)(C)C)OCC	0.902	0.092	0.639	0.51	0.208	0.058	0.995	0.219	0.581	0.995	0.621
Compound_224	CCCCCCCCSC#N	0.913	0.142	0.109	0.584	0.336	0.138	0.981	0.968	0.685	1.0	0.913
Compound_225	Cc1noc(c1C)N	0.692	0.305	0.798	0.401	0.205	0.228	0.092	0.344	0.92	0.756	0.422
Compound_226	Nc1sc2c(n1)c(Cl)ccc2	0.851	0.737	0.98	0.573	0.619	0.675	0.768	0.92	0.949	0.789	0.128
Compound_227	CCNC(C)C	0.06	0.049	0.022	0.238	0.011	0.006	0.001	0.008	0.141	0.963	0.352
Compound_228	CC(=O)Nc1nc(=O)c2c([nH]1)nc[nH]2	0.14	0.36	0.033	0.293	0.121	0.728	0.0	0.172	0.412	0.021	0.428
Compound_229	Fc1ccc(c(c1)Cl)O	0.966	0.157	0.354	0.527	0.573	0.066	0.895	0.772	0.898	0.994	0.892
Compound_230	NC1CCC(CC1)c1ccccc1	0.13	0.234	0.12	0.392	0.049	0.527	0.002	0.016	0.462	0.758	0.069
Compound_231	OCc1c2ccccc2c(c2c1cccc2)Cl	0.696	0.479	0.84	0.604	0.91	0.872	0.884	0.791	0.728	0.921	0.978
Compound_232	OC(C(Cl)(Cl)Cl)c1ccccc1	0.652	0.121	0.129	0.527	0.093	0.421	0.891	0.167	0.302	0.803	0.885
Compound_233	O=C(c1ccc(cc1)c1ccccc1)Cc1ccccc1	0.675	0.644	0.861	0.755	0.643	0.972	0.991	0.903	0.429	0.823	0.895
Compound_234	OC(=O)CCc1ccccc1N(=O)=O	0.479	0.187	0.193	0.262	0.111	0.149	0.989	0.815	0.396	0.06	0.524
Compound_235	OCCC(c1ccccc1)c1ccccc1	0.612	0.461	0.274	0.476	0.206	0.489	0.948	0.11	0.115	0.485	0.6
Compound_236	BrCCC(c1ccccc1)c1ccccc1	0.761	0.566	0.414	0.594	0.369	0.387	0.992	0.929	0.616	0.997	0.928
Compound_237	S=c1cc[nH]c(=S)[nH]1	0.213	0.253	0.184	0.405	0.266	0.335	0.585	0.021	0.981	0.77	0.78
Compound_238	NC(=Nc1ccccc1)[NH3+]	0.529	0.34	0.581	0.498	0.09	0.241	0.708	0.507	0.776	0.5	0.383
Compound_239	CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1)C	0.044	0.27	0.007	0.224	0.025	0.017	0.0	0.006	0.366	0.005	0.18
Compound_240	Nc1nnc2c(n1)cccc2	0.118	0.871	0.945	0.567	0.136	0.33	0.056	0.032	0.949	0.451	0.676
Compound_241	OC(=O)c1ccc(cc1)C1CCCCC1	0.614	0.26	0.072	0.327	0.404	0.645	0.832	0.545	0.146	0.772	0.208
Compound_242	COCCCNc1cccc2c1cccc2	0.54	0.542	0.97	0.521	0.125	0.229	0.085	0.218	0.715	0.009	0.342
Compound_243	ClCc1ccccc1C(C)C	0.794	0.16	0.764	0.719	0.31	0.157	0.982	0.941	0.822	0.959	0.621
Compound_244	Cc1ncnc2c1[nH]cn2	0.356	0.613	0.816	0.284	0.238	0.756	0.003	0.554	0.464	0.206	0.364
Compound_245	CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2c(c1O)cccc2	0.346	0.671	0.245	0.455	0.076	0.953	0.65	0.792	0.7	0.201	0.156
Compound_246	CCCCCCCCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_247	N#CCCNCCCCCCNCCC#N	0.136	0.103	0.024	0.438	0.131	0.077	0.0	0.22	0.65	0.308	0.467
Compound_248	OC1CCC2C1(C)CCC1C2CCC23C1(C)Cc1cnoc1C3O2	0.694	0.946	0.007	0.665	0.9	0.807	0.107	0.267	0.362	0.167	0.705
Compound_249	CCCCCc1cccc(c1)O	0.9	0.082	0.494	0.588	0.5	0.084	0.858	0.932	0.364	0.855	0.405
Compound_250	NCc1ccc(cc1)OCCN(C)C	0.127	0.202	0.005	0.487	0.022	0.407	0.0	0.08	0.099	0.003	0.01
Compound_251	C/C(=C/C)/C#N	0.925	0.304	0.521	0.623	0.312	0.007	0.947	0.991	0.786	0.978	0.968
Compound_252	CCOC(=O)c1cc2cc3ccoc3cc2oc1=O	0.262	0.642	0.999	0.604	0.172	0.747	0.149	0.171	0.388	0.595	0.975
Compound_253	CCOP(=O)(Cc1ccc(cc1)N)OCC	0.768	0.428	0.838	0.573	0.66	0.47	0.986	0.231	0.603	0.154	0.509
Compound_254	O=c1ccc2c(o1)c(O)c1c(c2)cco1	0.129	0.519	0.663	0.519	0.216	0.448	0.055	0.796	0.544	0.299	0.827
Compound_255	OCC1=CNC(=O)C(C1=O)(CC)CC	0.058	0.521	0.056	0.336	0.146	0.295	0.005	0.374	0.381	0.007	0.646
Compound_256	Clc1c(Cl)c(N(=O)=O)c(c(c1N(=O)=O)Cl)Cl	0.947	0.324	0.875	0.609	0.146	0.584	0.997	0.995	0.752	1.0	0.901
Compound_257	O=N(=O)c1cc(Cl)c(c(c1)Cl)Cl	0.973	0.122	0.979	0.672	0.239	0.098	0.999	0.996	0.815	0.999	0.936
Compound_258	BrCC(=O)c1ccc(cc1)C#N	0.972	0.187	0.658	0.745	0.794	0.657	0.97	0.988	0.557	0.927	0.962
Compound_259	Nc1scc(n1)c1ccccc1	0.738	0.728	0.961	0.897	0.125	0.903	0.97	0.86	0.631	0.592	0.18
Compound_260	Oc1cc(Cl)c(c(c1)Cl)O	0.949	0.168	0.621	0.583	0.647	0.314	0.962	0.62	0.889	0.976	0.94
Compound_261	CCCCCCCCCCCCCCCCCCCCCC1=NC(CO1)(CO)CO	0.595	0.409	0.094	0.648	0.042	0.315	0.754	0.249	0.441	0.004	0.579
Compound_262	CCCCC(=O)Oc1ccccc1	0.613	0.151	0.471	0.657	0.276	0.008	0.818	0.835	0.323	0.55	0.15
Compound_263	COC(=O)c1cc(C)ccc1C(=O)OC	0.746	0.07	0.939	0.508	0.037	0.053	0.97	0.004	0.842	0.337	0.363
Compound_264	Nc1ccc(cc1C(=O)c1ccccc1Cl)N(=O)=O	0.898	0.63	0.981	0.772	0.564	0.556	0.996	0.987	0.64	0.995	0.856
Compound_265	BrCC(=O)Nc1ccc(cc1C(=O)c1ccccc1)N(=O)=O	0.748	0.543	0.916	0.629	0.609	0.643	0.872	0.958	0.524	0.977	0.384
Compound_266	CCCCN(CCC(=O)OCC)CCCC	0.089	0.174	0.113	0.238	0.047	0.052	0.008	0.21	0.203	0.748	0.536
Compound_267	CCOC(=O)CCN1CCOCC1	0.033	0.244	0.135	0.177	0.049	0.005	0.009	0.196	0.23	0.305	0.153
Compound_268	CNC(=O)C(C(=O)C)(Cl)Cl	0.277	0.118	0.088	0.394	0.176	0.333	0.278	0.919	0.416	0.582	0.838
Compound_269	COC(=O)c1ccc(cc1N(=O)=O)C(=O)N	0.81	0.25	0.53	0.439	0.106	0.344	0.637	0.043	0.439	0.645	0.119
Compound_270	O=C(Nc1ccc(cc1C)Cl)CC(=O)C	0.629	0.387	0.983	0.61	0.3	0.547	0.989	0.639	0.453	0.849	0.249
Compound_271	ClC(=O)COc1ccc(cc1)N(=O)=O	0.958	0.455	0.882	0.773	0.523	0.499	0.981	0.97	0.21	0.953	0.873
Compound_272	ClCc1c(Cl)cccc1Cl	0.949	0.108	0.818	0.67	0.487	0.228	0.995	0.977	0.733	0.998	0.385
Compound_273	CC(=O)NCc1ccc(cc1)S(=O)(=O)N	0.011	0.228	0.002	0.169	0.051	0.106	0.005	0.015	0.271	0.0	0.043
Compound_274	Nc1ccc(c(c1)S(=O)(=O)N)Cl	0.21	0.278	0.013	0.222	0.452	0.618	0.319	0.005	0.374	0.335	0.3
Compound_275	CCOC(=O)C(C(=O)OCC)(Cl)Cl	0.884	0.098	0.822	0.727	0.136	0.278	0.948	0.915	0.469	0.64	0.944
Compound_276	C=CC(=O)NCC(CN(C)C)(C)C	0.088	0.131	0.003	0.252	0.067	0.031	0.001	0.786	0.592	0.168	0.265
Compound_277	CCCCNC(=O)c1cc(NC)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.604	0.695	0.665	0.455	0.059	0.239	0.759	0.7	0.615	0.013	0.181
Compound_278	CNCc1cccnc1	0.098	0.136	0.239	0.345	0.005	0.056	0.0	0.006	0.575	0.04	0.016
Compound_279	NNc1sc2c(n1)c(C)ccc2	0.625	0.697	0.977	0.548	0.423	0.766	0.971	0.987	0.915	0.606	0.227
Compound_280	CC(=O)Oc1ccc(cc1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.753	0.834	0.978	0.777	0.973	0.855	0.998	0.83	0.577	0.374	0.868
Compound_281	CC(CC(C(=O)O)NC(=O)OCc1ccccc1)C	0.029	0.265	0.637	0.238	0.03	0.093	0.02	0.71	0.649	0.02	0.038
Compound_282	[O-]C(=O)COc1nn(c2c1cccc2)Cc1ccccc1	0.478	0.683	0.816	0.429	0.627	0.489	0.577	0.5	0.665	0.13	0.705
Compound_283	CCCNCCCC	0.042	0.081	0.034	0.358	0.01	0.007	0.001	0.054	0.465	0.977	0.266
Compound_284	O=N(=O)c1cc(ccc1C(=O)Cl)N(=O)=O	0.945	0.299	0.854	0.691	0.202	0.328	0.978	0.989	0.667	0.996	0.934
Compound_285	O=C(c1ccccc1C(=O)OCCCc1ccccc1)OCCCc1ccccc1	0.795	0.405	0.491	0.595	0.784	0.769	0.999	0.038	0.644	0.788	0.9
Compound_286	CCCCCCCCCCCCCCCCCCNCc1ccccc1	0.175	0.152	0.074	0.355	0.009	0.681	0.679	0.06	0.82	0.807	0.016
Compound_287	CCOC(=O)C(=O)C(C)C	0.694	0.042	0.715	0.597	0.009	0.012	0.975	0.089	0.073	0.446	0.874
Compound_288	NCCOCCN1CCOCC1	0.02	0.148	0.006	0.123	0.021	0.004	0.0	0.146	0.153	0.021	0.064
Compound_289	CCCCCCCCCCCC(=O)OCCOCCCCCC	0.945	0.04	0.185	0.77	0.134	0.121	1.0	0.59	0.488	0.997	0.762
Compound_290	O=C(c1ccccc1O)OCCOC(=O)c1ccccc1O	0.473	0.535	0.573	0.651	0.742	0.488	0.972	0.033	0.269	0.62	0.858
Compound_291	OC[C@H]1O[C@@H](Oc2ccc(cc2O)c2oc3cc(O)cc(c3c(=O)c2O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.703	0.563	0.281	0.659	0.89	0.51	0.266	0.511	0.402	0.064	0.624
Compound_292	O=C1C(=Cc2ccc(cc2)N=N#N)CCC/C/1=C\c1ccc(cc1)N=N#N	0.854	0.665	0.91	0.656	0.896	0.993	0.995	0.974	0.815	0.991	0.776
Compound_293	OCCS(=O)(=O)c1cccc(c1)NC(=O)c1ccc(cc1)N	0.429	0.386	0.635	0.667	0.298	0.71	0.254	0.017	0.362	0.003	0.126
Compound_294	CCc1cccc(c1Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)Nc1c(CC)cccc1CC)CC	0.535	0.782	0.871	0.55	0.938	0.603	0.989	0.927	0.717	0.972	0.981
Compound_295	Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(ccc1O)Nc1ccc(cc1)C)O	0.673	0.828	0.98	0.769	0.979	0.859	0.986	0.964	0.781	0.565	0.975
Compound_296	BrC1=CC(Br)(Br)C=C(C1=O)Br	0.959	0.415	0.834	0.719	0.723	0.528	0.955	0.991	0.928	1.0	0.912
Compound_297	ClC(=O)Oc1ccc(cc1)C(c1ccc(cc1)OC(=O)Cl)(C)C	0.924	0.625	0.854	0.762	0.945	0.713	0.97	0.912	0.612	0.183	0.852
Compound_298	CCOc1ccc(cc1N(CCOC(=O)C)CCOC(=O)C)NC(=O)C	0.292	0.405	0.445	0.56	0.198	0.168	0.016	0.036	0.647	0.268	0.185
Compound_299	COCCCNc1cc(O)c2c(c1O)C(=O)c1c(C2=O)cccc1	0.638	0.75	0.976	0.567	0.883	0.489	0.649	0.462	0.601	0.077	0.581
Compound_300	CCOC(=O)C(=Cc1ccccc1)C#N	0.958	0.565	0.632	0.706	0.653	0.203	0.995	0.982	0.526	0.694	0.942
Compound_301	CCCCCCCCCCOC(=O)c1ccccc1C(=O)[O-]	0.957	0.151	0.512	0.475	0.099	0.049	0.988	0.239	0.727	0.984	0.958
Compound_302	ClCC(=O)N1CCCC1	0.286	0.353	0.319	0.649	0.411	0.098	0.887	0.995	0.526	0.985	0.862
Compound_303	O=C(C(C)(C)C)OCCOC(=O)C(C)(C)C	0.746	0.012	0.318	0.59	0.18	0.074	0.968	0.459	0.457	0.478	0.775
Compound_304	C1CCC(CC1)C1CCC(CC1)c1ccccc1	0.9	0.293	0.166	0.509	0.603	0.79	0.995	0.429	0.772	0.996	0.464
Compound_305	[O-]S(=O)C	0.726	0.134	0.129	0.298	0.283	0.124	0.971	0.891	0.707	1.0	0.494
Compound_306	CC(=O)C(=O)OCCc1ccccc1	0.377	0.133	0.623	0.653	0.013	0.046	0.99	0.42	0.614	0.197	0.404
Compound_307	CCCCCOC(=O)CCC(=O)C	0.691	0.019	0.223	0.731	0.099	0.059	0.987	0.397	0.511	0.991	0.904
Compound_308	CCCCN(CN(CCCC)CCCC)CCCC	0.18	0.259	0.048	0.101	0.066	0.27	0.91	0.325	0.78	0.949	0.383
Compound_309	CC(c1cccc(c1)c1ccccc1)C	0.856	0.469	0.826	0.74	0.151	0.262	0.733	0.723	0.754	0.969	0.745
Compound_310	c1ccc(cc1)COc1cccc2c1cc[nH]2	0.384	0.773	0.984	0.553	0.711	0.691	0.244	0.862	0.774	0.993	0.993
Compound_311	COC(=O)CCCCCC(=O)O	0.409	0.025	0.089	0.22	0.049	0.014	0.871	0.288	0.18	0.281	0.272
Compound_312	NC(=O)CNC1Cc2c(C1)cccc2	0.018	0.373	0.04	0.134	0.085	0.147	0.0	0.001	0.288	0.031	0.594
Compound_313	Cc1c(C)ccc2c1ccc1c2cccc1C	0.96	0.41	0.956	0.624	0.683	0.756	0.992	0.991	0.781	0.999	0.935
Compound_314	CNc1cc(N(=O)=O)c(c(c1)N(=O)=O)O	0.636	0.117	0.956	0.476	0.606	0.669	0.016	0.996	0.779	0.913	0.929
Compound_315	CCCCCCOC(=O)CS	0.749	0.051	0.06	0.709	0.187	0.36	0.997	0.465	0.668	0.983	0.872
Compound_316	CCCCCCCCCCCCOC(=O)CCCCCCC	0.871	0.003	0.251	0.736	0.096	0.093	0.999	0.649	0.449	0.998	0.912
Compound_317	Cc1ccc2c(c1O)CCC2	0.526	0.49	0.23	0.567	0.294	0.35	0.305	0.763	0.862	0.969	0.347
Compound_318	Cc1cc(O)c2c(c1)CCC2	0.588	0.502	0.859	0.605	0.273	0.308	0.435	0.91	0.91	0.863	0.283
Compound_319	Oc1ccc2c(c1C)CCC2	0.741	0.476	0.504	0.654	0.5	0.702	0.319	0.936	0.704	0.964	0.715
Compound_320	Oc1cc2CCCc2cc1C	0.783	0.473	0.839	0.593	0.41	0.807	0.402	0.907	0.877	0.984	0.603
Compound_321	Oc1cc(C)c2c(c1)CCC2	0.789	0.475	0.668	0.581	0.56	0.524	0.796	0.577	0.758	0.842	0.649
Compound_322	CCCNCc1ccccc1	0.048	0.175	0.074	0.28	0.002	0.091	0.008	0.02	0.376	0.76	0.033
Compound_323	CCOC(CC#N)OCC	0.813	0.123	0.287	0.512	0.118	0.107	0.981	0.934	0.436	0.93	0.945
Compound_324	Cc1cc2[nH]c(=O)[nH]c2cc1C	0.505	0.323	0.386	0.422	0.043	0.138	0.571	0.012	0.98	0.014	0.213
Compound_325	BrCCOc1ccc(cc1)Cl	0.736	0.158	0.916	0.732	0.368	0.569	0.849	0.741	0.405	0.987	0.918
Compound_326	COc1cc(O)ccc1OC	0.919	0.132	0.8	0.67	0.672	0.074	0.95	0.019	0.665	0.675	0.298
Compound_327	Brc1[nH]c(c(n1)Br)Br	0.655	0.372	0.706	0.49	0.341	0.691	0.043	0.639	0.907	0.865	0.647
Compound_328	O=C1COc2c(N1)nccc2	0.411	0.561	0.63	0.364	0.026	0.218	0.005	0.059	0.464	0.483	0.205
Compound_329	Cc1ccc(c(n1)N)O	0.382	0.467	0.417	0.529	0.234	0.385	0.003	0.911	0.666	0.23	0.393
Compound_330	O=C1Nc2ncccc2OC1(C)C	0.547	0.624	0.072	0.352	0.032	0.231	0.002	0.005	0.474	0.031	0.082
Compound_331	Cc1ccc(c(c1)Oc1ccccc1N)C(C)(C)C	0.275	0.496	0.965	0.55	0.489	0.58	0.872	0.956	0.909	0.781	0.937
Compound_332	N#Cc1cc(cc(c1N)Cl)N(=O)=O	0.947	0.221	0.958	0.712	0.687	0.384	0.999	0.984	0.669	0.994	0.871
Compound_333	CC(=C)C(=O)Oc1ccc(c(c1)O)C(=O)c1ccccc1	0.884	0.634	0.837	0.784	0.973	0.8	0.995	0.906	0.708	0.923	0.681
Compound_334	COc1cc(N(=O)=O)c(cc1OC)C=O	0.765	0.341	0.526	0.643	0.425	0.644	0.969	0.805	0.586	0.904	0.926
Compound_335	Clc1ccc2c(c1)nc(s2)N	0.837	0.737	0.959	0.438	0.478	0.84	0.732	0.156	0.982	0.789	0.128
Compound_336	N#Cc1ncnc2c1[nH]cn2	0.456	0.616	0.832	0.387	0.386	0.711	0.002	0.886	0.484	0.574	0.771
Compound_337	COCOC(=O)C(=C)C	0.898	0.068	0.079	0.548	0.159	0.027	0.995	0.975	0.868	0.972	0.884
Compound_338	CCC(c1cc(ccc1OCC(=O)Nc1cc(Cl)c(c(c1O)Cl)C)C(CC)(C)C)(C)C	0.637	0.577	0.551	0.541	0.685	0.738	0.778	0.746	0.486	0.344	0.462
Compound_339	Cc1cncnc1	0.425	0.236	0.863	0.56	0.027	0.058	0.001	0.569	0.948	0.358	0.072
Compound_340	CCCOc1ccc(cc1)NC(=O)C	0.18	0.377	0.498	0.522	0.389	0.499	0.072	0.071	0.531	0.019	0.216
Compound_341	CCCOc1ccc(c(c1)N(=O)=O)NC(=O)C	0.353	0.495	0.595	0.428	0.711	0.382	0.308	0.625	0.603	0.261	0.464
Compound_342	CCCOc1ccc(c(c1)N(=O)=O)N	0.806	0.386	0.953	0.624	0.772	0.432	0.895	0.971	0.582	0.529	0.814
Compound_343	OCCN(c1ccc(cc1)N=Nc1ccc(cc1Br)N(=O)=O)CCC#N	0.977	0.479	0.295	0.658	0.66	0.653	0.179	0.881	0.49	0.423	0.715
Compound_344	Sc1cccc(c1)Cl	0.933	0.262	0.738	0.61	0.64	0.634	0.997	0.167	0.727	0.999	0.253
Compound_345	Clc1ccc(nn1)c1ccccc1	0.865	0.694	0.902	0.813	0.417	0.555	0.909	0.883	0.957	0.088	0.615
Compound_346	O=c1oc2ccccc2c(=O)[nH]1	0.35	0.568	0.741	0.478	0.129	0.664	0.42	0.377	0.729	0.332	0.332
Compound_347	C#CCN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)O	0.638	0.478	0.185	0.351	0.22	0.398	0.004	0.287	0.134	0.113	0.423
Compound_348	NCCCc1ccccc1	0.092	0.146	0.091	0.398	0.009	0.16	0.009	0.013	0.378	0.033	0.012
Compound_349	O=C1C=C(I)C(=O)C(=C1)I	0.93	0.395	0.637	0.702	0.547	0.262	0.864	0.999	0.756	0.994	0.68
Compound_350	NCCc1ccccc1O	0.116	0.161	0.293	0.421	0.031	0.194	0.004	0.193	0.258	0.002	0.031
Compound_351	NCCc1cccc(c1)OC	0.115	0.132	0.252	0.555	0.006	0.039	0.007	0.015	0.14	0.005	0.014
Compound_352	C=Cc1ccc(cc1)Br	0.981	0.267	0.549	0.627	0.153	0.56	0.999	0.978	0.603	0.998	0.343
Compound_353	C=Cc1ccc(c(c1)Cl)Cl	0.972	0.262	0.912	0.645	0.192	0.182	0.998	0.996	0.722	0.999	0.319
Compound_354	C=Cc1cccc(c1)Cl	0.958	0.276	0.729	0.646	0.186	0.112	0.999	0.983	0.61	0.997	0.163
Compound_355	C=Cc1cccc(c1)Br	0.982	0.267	0.729	0.646	0.553	0.239	0.999	0.983	0.841	0.998	0.343
Compound_356	C=Cc1ccccc1Cl	0.959	0.262	0.625	0.62	0.254	0.116	0.998	0.982	0.895	0.999	0.319
Compound_357	Oc1c(F)cccc1Cl	0.955	0.157	0.595	0.558	0.531	0.063	0.972	0.906	0.902	0.994	0.892
Compound_358	CCCCC1CCCC1	0.993	0.173	0.294	0.561	0.146	0.063	0.978	0.905	0.841	1.0	0.806
Compound_359	CCCC1CCCC1	0.99	0.123	0.294	0.561	0.146	0.063	0.978	0.905	0.766	1.0	0.815
Compound_360	COC(=O)c1coc(c1)Cc1ccccc1	0.454	0.454	0.742	0.558	0.044	0.188	0.658	0.045	0.865	0.037	0.317
Compound_361	CCOC(=O)c1coc(c1)Cc1ccccc1	0.445	0.416	0.965	0.618	0.044	0.188	0.658	0.058	0.621	0.302	0.691
Compound_362	N#Cc1ccccc1Br	0.992	0.125	0.768	0.672	0.208	0.652	0.997	0.876	0.71	0.996	0.864
Compound_363	CN1C(=O)CCC1=S	0.215	0.349	0.186	0.454	0.004	0.247	0.516	0.05	0.609	0.569	0.392
Compound_364	O=N(=O)c1ccc(cc1)N(c1ccc(cc1)N(=O)=O)c1ccc(cc1)N(=O)=O	0.981	0.63	0.96	0.601	0.877	0.986	0.991	0.997	0.677	1.0	0.937
Compound_365	Cc1ccc(cc1)N(c1ccc(cc1)C)c1ccccc1	0.922	0.659	0.855	0.566	0.959	0.989	0.996	0.648	0.533	0.99	0.801
Compound_366	CCCCCCCCCCCCCCCC(=O)OCCOCCCC	0.945	0.04	0.185	0.77	0.134	0.121	1.0	0.59	0.413	0.997	0.762
Compound_367	CCCCOCCOC(=O)CCC	0.837	0.042	0.17	0.741	0.139	0.031	0.994	0.414	0.617	0.997	0.754
Compound_368	CCCCCCCCC(=O)OCCOCCCC	0.945	0.04	0.185	0.77	0.105	0.037	0.998	0.59	0.413	0.997	0.762
Compound_369	Ic1cccc(c1)c1ccccc1	0.98	0.462	0.949	0.805	0.387	0.321	0.997	0.077	0.701	0.983	0.509
Compound_370	BrCc1c(Cl)cccc1Cl	0.922	0.094	0.818	0.67	0.468	0.391	0.996	0.977	0.505	0.999	0.594
Compound_371	CC(=O)CC(=O)Nc1cc(Cl)ccc1Cl	0.824	0.403	0.96	0.615	0.378	0.53	0.995	0.367	0.457	0.92	0.346
Compound_372	CCOC(=O)C(C(=O)OCC)Cc1cc(OC)ccc1OC	0.564	0.269	0.788	0.725	0.67	0.178	0.929	0.114	0.362	0.802	0.816
Compound_373	O=N(=O)c1sc(c(c1)N(=O)=O)N	0.808	0.323	0.963	0.517	0.373	0.445	0.856	0.955	0.823	0.996	0.597
Compound_374	COc1ccccc1CC[NH3+]	0.086	0.189	0.551	0.469	0.004	0.135	0.013	0.043	0.677	0.011	0.181
Compound_375	NCCCCCCNC(=O)CCCCCCCCC(=O)O	0.084	0.047	0.003	0.053	0.022	0.095	0.038	0.001	0.365	0.001	0.04
Compound_376	COc1ccc(c(c1)OC)I	0.925	0.19	0.88	0.725	0.53	0.116	0.974	0.076	0.461	0.9	0.624
Compound_377	Cc1ncsc1C(=O)O	0.225	0.512	0.345	0.279	0.085	0.433	0.775	0.043	0.66	0.013	0.44
Compound_378	Cc1cccc2c1OCO2	0.567	0.3	0.968	0.544	0.06	0.162	0.89	0.706	0.651	0.994	0.778
Compound_379	COc1cc(OC)c(c(c1)OC)O	0.892	0.152	0.747	0.686	0.693	0.024	0.763	0.024	0.88	0.629	0.454
Compound_380	CCOC(=O)CC=CC(=O)OCC	0.934	0.114	0.739	0.73	0.626	0.218	0.999	0.996	0.52	0.999	0.959
Compound_381	CCC(C(=O)OCC)(C(=O)OCC)C	0.777	0.004	0.423	0.582	0.169	0.066	0.953	0.545	0.263	0.924	0.866
Compound_382	CCOc1cccc(c1)OCC	0.743	0.156	0.85	0.669	0.511	0.041	0.915	0.572	0.3	0.898	0.429
Compound_383	CC(CCc1ccccc1)C	0.674	0.11	0.883	0.541	0.085	0.078	0.971	0.731	0.27	0.962	0.149
Compound_384	CC(CCC(=O)c1ccccc1)C	0.911	0.115	0.926	0.483	0.045	0.181	0.725	0.323	0.278	0.683	0.258
Compound_385	CCOC(=O)CCCCCC(=O)OCC	0.771	0.016	0.551	0.688	0.058	0.024	0.98	0.583	0.046	0.996	0.926
Compound_386	CCOC(=O)CCCCCCC(=O)OCC	0.833	0.016	0.551	0.688	0.075	0.033	0.991	0.583	0.176	0.996	0.926
Compound_387	CCc1cc(CC)cc(c1)C	0.62	0.12	0.717	0.589	0.04	0.064	0.945	0.767	0.856	1.0	0.347
Compound_388	CC(=O)Nc1ccc(cc1C)C	0.389	0.292	0.735	0.455	0.066	0.255	0.943	0.092	0.777	0.795	0.399
Compound_389	CCCCN(CCCO)CCCC	0.072	0.095	0.062	0.107	0.02	0.087	0.001	0.125	0.147	0.922	0.237
Compound_390	Clc1ccc(c(c1)N(=O)=O)SSc1ccc(cc1N(=O)=O)Cl	0.946	0.494	0.876	0.688	0.748	0.732	0.994	0.991	0.704	1.0	0.796
Compound_391	Clc1ccc2c(c1Cl)cccc2	0.985	0.446	0.991	0.618	0.5	0.269	0.995	0.982	0.965	1.0	0.967
Compound_392	Clc1ccc2c(c1)cccc2Cl	0.983	0.571	0.962	0.589	0.739	0.319	0.989	0.827	0.997	0.999	0.918
Compound_393	Clc1ccc2c(c1)c(Cl)ccc2	0.978	0.571	0.962	0.589	0.739	0.319	0.989	0.827	0.997	0.999	0.918
Compound_394	Clc1cccc2c1c(Cl)ccc2	0.986	0.571	0.976	0.61	0.638	0.224	0.994	0.906	0.983	0.999	0.918
Compound_395	Clc1cc2ccccc2cc1Cl	0.985	0.446	0.992	0.648	0.338	0.305	0.997	0.99	0.98	1.0	0.967
Compound_396	Clc1cc(Cl)c2c(c1O)cccc2	0.965	0.694	0.849	0.543	0.76	0.349	0.82	0.943	0.914	0.999	1.005
Compound_397	CCCCCCCCCCI	0.99	0.109	0.309	0.704	0.277	0.265	0.996	0.997	0.885	1.0	0.813
Compound_398	CC/C(=C/C(CC)(C)C)/C	0.887	0.08	0.553	0.629	0.208	0.008	0.897	0.948	0.809	1.0	0.945
Compound_399	CC(=O)Nc1ccccc1NC(=O)C	0.744	0.366	0.801	0.465	0.135	0.053	0.784	0.558	0.83	0.469	0.649
Compound_400	CCCCCNCCCCC	0.058	0.065	0.037	0.451	0.017	0.02	0.001	0.146	0.729	0.937	0.214
Compound_401	CC(CCC(=O)CCC(C)C)C	0.981	0.03	0.78	0.468	0.053	0.012	0.963	0.063	0.157	0.998	0.8
Compound_402	CC(CCOC(=O)C(=O)OCCC(C)C)C	0.781	0.004	0.665	0.643	0.049	0.046	0.982	0.169	0.116	0.614	0.768
Compound_403	ClCc1ccc(cc1)C(C)C	0.71	0.148	0.738	0.625	0.302	0.386	0.966	0.946	0.954	0.974	0.409
Compound_404	Clc1c(c2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.959	0.389	0.931	0.745	0.806	0.733	0.994	0.921	0.863	0.995	0.816
Compound_405	CCCCCC(CC)(CC)O	0.902	0.099	0.061	0.568	0.08	0.038	0.746	0.652	0.556	0.98	0.724
Compound_406	CCCCCCCC1=NCCN1CCN	0.149	0.406	0.067	0.461	0.01	0.13	0.0	0.015	0.83	0.131	0.136
Compound_407	CCCCCCCCCCCCCCCC1=NCCN1CCN	0.162	0.406	0.067	0.461	0.014	0.4	0.04	0.015	0.864	0.131	0.136
Compound_408	Nc1ccc(cc1)c1ccc(c(c1)S(=O)(=O)O)N	0.68	0.315	0.989	0.479	0.703	0.639	0.95	0.558	0.441	0.029	0.128
Compound_409	O=C(c1ccccc1)CCC(=O)O	0.599	0.121	0.382	0.176	0.116	0.197	0.988	0.1	0.548	0.001	0.011
Compound_410	c1ccc(cc1)Cn1cccc1	0.661	0.369	0.709	0.615	0.051	0.771	0.125	0.496	0.918	0.888	0.274
Compound_411	Brc1ccc2c3c1cccc3CC2	0.793	0.618	0.908	0.616	0.607	0.697	0.944	0.926	0.747	0.999	0.869
Compound_412	OC(=O)C(Br)(C)C	0.527	0.042	0.053	0.474	0.591	0.061	0.986	0.992	0.418	0.312	0.889
Compound_413	COc1nc(N)nc2c1nc[nH]2	0.48	0.353	0.93	0.35	0.219	0.136	0.003	0.073	0.542	0.549	0.781
Compound_414	CCCCCCCCCc1ccc(cc1)OCCCl	0.906	0.162	0.676	0.729	0.608	0.819	0.829	0.933	0.914	1.0	0.973
Compound_415	O=P1(OCC2(CO1)COP(=O)(OC2)Cc1ccccc1)Cc1ccccc1	0.743	0.565	0.564	0.553	0.75	0.446	0.988	0.478	0.679	0.736	0.726
Compound_416	C=Cc1ccc(cc1)C(C)C	0.922	0.237	0.601	0.564	0.058	0.04	0.901	0.937	0.857	0.992	0.335
Compound_417	S=C1NCCCN1	0.053	0.147	0.082	0.326	0.011	0.112	0.0	0.452	0.953	0.684	0.148
Compound_418	Ic1ccc(c(c1)Cl)Cl	0.968	0.135	0.849	0.629	0.21	0.338	0.998	0.925	0.613	0.999	0.409
Compound_419	CCC(COC(=O)CCCCC(=O)O)(CO)CO	0.54	0.133	0.072	0.337	0.073	0.067	0.145	0.293	0.278	0.601	0.547
Compound_420	CCN(c1ccc2c(c1)oc(=O)cc2)CC	0.155	0.773	0.986	0.677	0.176	0.434	0.036	0.876	0.955	0.973	0.77
Compound_421	C/C=C/CC(c1ccncc1)C/C=C/C	0.632	0.322	0.395	0.605	0.018	0.19	0.003	0.696	0.886	0.234	0.141
Compound_422	C/C=C/CC(c1ccccn1)C/C=C/C	0.275	0.301	0.331	0.552	0.065	0.471	0.001	0.92	0.894	0.221	0.225
Compound_423	C/C=C/CCc1ccccn1	0.219	0.256	0.492	0.531	0.072	0.4	0.024	0.894	0.915	0.02	0.233
Compound_424	C(C(c1ccncc1)CCc1ccccc1)Cc1ccccc1	0.27	0.48	0.237	0.506	0.357	0.872	0.261	0.037	0.756	0.978	0.491
Compound_425	COC(=O)C(=O)CC(=O)C	0.665	0.025	0.173	0.523	0.014	0.059	0.991	0.732	0.447	0.088	0.568
Compound_426	Cc1c(C)cncc1C	0.317	0.272	0.604	0.475	0.004	0.058	0.002	0.146	0.885	0.699	0.167
Compound_427	O=N(=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N	0.617	0.674	0.735	0.433	0.176	0.458	0.997	0.95	0.458	0.932	0.929
Compound_428	O=C1c2ccccc2N(C1=O)C	0.575	0.384	0.778	0.524	0.134	0.048	0.576	0.045	0.364	0.24	0.19
Compound_429	CCCCSCC(=O)O	0.535	0.036	0.025	0.303	0.274	0.018	0.982	0.213	0.426	0.856	0.538
Compound_430	OC1CCC(CC1)C1CCC(CC1)O	0.928	0.256	0.031	0.473	0.378	0.281	0.741	0.25	0.368	0.716	0.147
Compound_431	CN(CCCOC(=O)C(=C)C)C	0.286	0.09	0.001	0.173	0.239	0.059	0.005	0.342	0.766	0.106	0.66
Compound_432	C=CC(=O)NC(=O)C=C	0.351	0.075	0.313	0.51	0.168	0.059	0.694	0.997	0.757	0.993	0.86
Compound_433	NC(=O)NC(=O)C(=C)C	0.271	0.165	0.025	0.241	0.074	0.015	0.038	0.151	0.648	0.57	0.654
Compound_434	CCCCCOC(=O)C(=O)OCCCCC	0.8	0.013	0.182	0.721	0.053	0.079	0.989	0.827	0.618	0.97	0.848
Compound_435	OCCN1CCCCCC1	0.217	0.094	0.13	0.083	0.157	0.246	0.002	0.158	0.274	0.339	0.133
Compound_436	COC(c1ccccc1N(=O)=O)OC	0.757	0.313	0.766	0.581	0.12	0.539	0.999	0.944	0.525	0.985	0.857
Compound_437	CCCCCCON(=O)=O	0.85	0.108	0.104	0.559	0.027	0.074	0.991	0.967	0.86	0.907	0.547
Compound_438	COC(=O)CCCc1ccc(cc1)N	0.628	0.294	0.461	0.556	0.157	0.314	0.994	0.597	0.484	0.018	0.23
Compound_439	CCCCc1ccc(cc1)C(=O)OC	0.663	0.116	0.53	0.547	0.076	0.241	0.964	0.115	0.918	0.495	0.193
Compound_440	CCCCc1ccc(cc1)N(=O)=O	0.944	0.241	0.478	0.549	0.403	0.399	1.0	0.914	0.775	0.998	0.856
Compound_441	CCCCc1cccc(c1)N(=O)=O	0.874	0.241	0.471	0.604	0.219	0.342	0.999	0.927	0.803	0.998	0.856
Compound_442	COC(=O)COc1ccccc1	0.253	0.131	0.805	0.671	0.11	0.013	0.876	0.883	0.555	0.308	0.178
Compound_443	c1cc2ccnc3c2c(c1)c1ccccc31	0.863	0.649	0.957	0.826	0.418	0.469	0.941	0.95	0.907	0.978	0.92
Compound_444	O([2H])C(=O)C(=O)O[2H]	0.552	0.056	0.19	0.27	0.122	0.035	0.016	0.723	0.113	0.031	0.645
Compound_445	O=c1[nH]c2c(n1C1CC[NH2+]CC1)cccc2	0.544	0.429	0.372	0.291	0.025	0.273	-0.0	0.049	0.333	0.002	0.103
Compound_446	BrCCCCC(=O)O	0.342	0.08	0.153	0.525	0.187	0.027	0.953	0.954	0.18	0.307	0.56
Compound_447	CNCC(OCC)OCC	0.039	0.071	0.098	0.295	0.017	0.004	0.001	0.004	0.136	0.294	0.277
Compound_448	O=c1[nH]c2ncccc2[nH]c1=O	0.444	0.53	0.26	0.369	0.079	0.216	0.007	0.018	0.835	0.129	0.441
Compound_449	COC(=O)CCC1CCCCC1	0.912	0.08	0.283	0.553	0.059	0.01	0.989	0.929	0.299	0.94	0.35
Compound_450	OC(=O)CSCSCC(=O)O	0.488	0.051	0.047	0.197	0.457	0.214	0.051	0.667	0.489	0.132	0.647
Compound_451	Cc1sc2c(n1)ccc1c2cccc1	0.905	0.675	0.986	0.556	0.615	0.766	0.998	0.926	0.714	0.973	0.5
Compound_452	Cc1oc2c(n1)ccc1c2cccc1	0.23	0.606	0.986	0.556	0.537	0.606	0.939	0.926	0.94	0.957	0.907
Compound_453	O=C1CCCN1C(C)(C)C	0.185	0.442	0.239	0.462	0.005	0.05	0.044	0.103	0.455	0.039	0.328
Compound_454	CCCCCCCCCCCOC(=O)C=C	1.0	0.009	0.234	0.807	0.808	0.494	1.0	0.999	0.986	1.0	0.94
Compound_455	OC(=O)c1ccc2c(c1Br)cccc2	0.803	0.286	0.819	0.549	0.558	0.821	0.997	0.867	0.619	0.989	0.916
Compound_456	CCC(=O)OCC(=C)C	0.922	0.056	0.111	0.676	0.178	0.011	0.99	0.953	0.226	0.999	0.965
Compound_457	NC(=O)c1cc(N(=O)=O)c(c(c1)N(=O)=O)Cl	0.912	0.324	0.133	0.408	0.171	0.199	0.941	0.444	0.273	0.975	0.123
Compound_458	CCCN(CCC#N)CCC	0.243	0.287	0.05	0.13	0.14	0.049	0.011	0.394	0.645	0.914	0.844
Compound_459	CN(c1cccc2c1c(ccc2)N(C)C)C	0.973	0.781	0.95	0.563	0.229	0.445	0.319	0.984	0.852	0.994	0.815
Compound_460	Brc1ccc2c(c1S)nccc2	0.745	0.423	0.71	0.342	0.543	0.652	0.161	0.823	0.948	0.993	0.84
Compound_461	ClCC(Br)(C)C	0.954	0.125	0.428	0.639	0.31	0.059	0.996	0.949	0.933	0.99	0.887
Compound_462	CNC(=S)OC(C)C	0.208	0.137	0.219	0.413	0.014	0.135	0.034	0.732	0.896	0.998	0.449
Compound_463	ClCCC(=O)C=C	0.958	0.082	0.344	0.742	0.495	0.148	0.99	0.993	0.84	0.997	0.98
Compound_464	CCCCCCCCOC(=O)C(=O)OCCCCCCCC	0.918	0.011	0.182	0.721	0.076	0.269	0.999	0.827	0.492	0.998	0.876
Compound_465	COC(=O)c1oc2c(c1C)cccc2	0.222	0.39	0.902	0.456	0.003	0.047	0.732	0.309	0.761	0.573	0.653
Compound_466	CC(c1ccccc1Cl)C	0.77	0.133	0.714	0.634	0.379	0.102	0.978	0.694	0.664	0.993	0.125
Compound_467	CC(c1ccc(c(c1)Cl)Cl)C	0.837	0.133	0.946	0.639	0.255	0.228	0.991	0.928	0.661	0.993	0.125
Compound_468	Clc1ccc(c(c1Cl)C)Cl	0.93	0.076	0.892	0.623	0.372	0.409	0.997	0.99	0.882	0.999	0.141
Compound_469	Brc1ccc(c(c1)N)C(=O)O	0.547	0.407	0.432	0.296	0.227	0.652	0.985	0.103	0.511	0.147	0.5
Compound_470	Ic1ccc2c(c1)C(=O)C(=O)N2	0.484	0.405	0.955	0.62	0.291	0.189	0.846	0.875	0.309	0.724	0.54
Compound_471	COc1cc(OC)ccc1CNCc1ccc(cc1OC)OC	0.155	0.576	0.536	0.502	0.142	0.34	0.373	0.06	0.517	0.06	0.386
Compound_472	CCC(=O)CCc1ccccc1	0.868	0.116	0.45	0.544	0.023	0.036	0.939	0.389	0.204	0.987	0.719
Compound_473	CCCCCCCCCCCCCCS	0.921	0.06	0.113	0.556	0.212	0.261	0.998	0.494	0.997	0.997	0.664
Compound_474	CCCCNCC(C)C	0.042	0.141	0.026	0.348	0.016	0.009	0.0	0.069	0.451	0.97	0.142
Compound_475	CCCC/C=C/C(OCC)OCC	0.929	0.062	0.466	0.613	0.341	0.329	0.997	0.982	0.698	1.0	0.916
Compound_476	OC1CCOCC1	0.772	0.238	0.025	0.476	0.035	0.08	0.192	0.068	0.336	0.535	0.079
Compound_477	CCCCCCCc1ccccn1	0.279	0.288	0.386	0.561	0.087	0.469	0.009	0.966	0.961	0.637	0.326
Compound_478	CCc1ccncc1C	0.308	0.474	0.518	0.567	0.012	0.1	0.006	0.119	0.837	0.597	0.279
Compound_479	O=CC(O)(C)C	0.533	0.069	0.149	0.461	0.028	0.294	0.95	0.071	0.569	0.106	0.715
Compound_480	Cc1cc(C)c(c(n1)C)C	0.302	0.261	0.711	0.566	0.103	0.397	0.574	0.859	0.494	0.684	0.258
Compound_481	ClCC(=O)Nc1ccc(cc1C(=O)c1ccccc1)N(=O)=O	0.853	0.528	0.916	0.629	0.812	0.546	0.995	0.958	0.503	0.965	0.486
Compound_482	N#CN1CCC23C4C1Cc1c3c(OC2C(C=C4)OC(=O)C)c(cc1)OC(=O)C	0.738	0.569	0.031	0.231	0.299	0.204	0.081	0.577	0.332	0.042	0.628
Compound_483	CCCCCCCCCC(=O)OC(=O)CCCCCCCCC	0.85	0.013	0.291	0.604	0.091	0.056	0.999	0.928	0.198	0.962	0.867
Compound_484	CCCCCCCCCCC(=O)OC(=O)CCCCCCCCCC	0.85	0.013	0.291	0.604	0.091	0.056	0.999	0.928	0.198	0.962	0.867
Compound_485	ClCCc1ccc(cc1)C(=O)O	0.535	0.091	0.111	0.358	0.552	0.743	0.99	0.916	0.254	0.09	0.606
Compound_486	ClCc1ccc2c(c1)OCO2	0.703	0.287	0.984	0.713	0.336	0.676	0.941	0.917	0.337	0.998	0.905
Compound_487	O=NC1C(=O)c2c(C1=O)cccc2	0.578	0.425	0.855	0.439	0.21	0.684	0.069	0.476	0.75	0.939	0.918
Compound_488	COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1OC)O	0.828	0.897	0.965	0.898	0.837	0.889	0.998	0.978	0.876	0.008	0.921
Compound_489	CN(C(=O)c1ccccc1S)C	0.518	0.373	0.651	0.659	0.104	0.544	0.532	0.134	0.709	0.491	0.208
Compound_490	CN(CCCn1ccc2c1cccc2)C	0.55	0.658	0.166	0.27	0.122	0.499	0.273	0.094	0.479	0.022	0.211
Compound_491	N#CC(=NOS(=O)(=O)c1ccc(cc1)C)C#N	0.702	0.344	0.689	0.48	0.75	0.23	0.99	0.677	0.402	0.893	0.292
Compound_492	OC(=O)c1ccc2c(c1)cccc2C(=O)O	0.628	0.452	0.846	0.471	0.263	0.596	0.942	0.893	0.674	0.18	0.926
Compound_493	COC(=O)c1c[nH]c(=O)[nH]1	0.093	0.396	0.308	0.387	0.072	0.02	0.001	0.045	0.671	0.01	0.703
Compound_494	Clc1ccccc1Oc1ccc(cc1)N(=O)=O	0.986	0.806	0.958	0.71	0.911	0.877	0.995	0.995	0.259	0.999	0.988
Compound_495	N#Cc1ccc(cc1Cl)N	0.916	0.264	0.862	0.604	0.844	0.288	0.998	0.983	0.939	0.992	0.852
Compound_496	Cc1ccc(cc1)Oc1ccccc1N	0.528	0.644	0.966	0.577	0.321	0.576	0.995	0.888	0.736	0.984	0.944
Compound_497	COc1ccc[nH]c1=O	0.424	0.405	0.322	0.446	0.286	0.18	0.507	0.068	0.694	0.039	0.166
Compound_498	O=C(C(C)(C)C)OCc1ccccc1	0.479	0.147	0.683	0.543	0.109	0.087	0.982	0.969	0.341	0.462	0.357
Compound_499	BrCCCCCCC#N	0.98	0.151	0.183	0.679	0.405	0.149	0.989	0.994	0.669	0.995	0.939
Compound_500	OCCCCOC(=O)CCCCC(=O)OCCCCO	0.478	0.145	0.089	0.701	0.08	0.154	0.068	0.4	0.279	0.56	0.385
Compound_501	OCCOc1ccc(cc1)c1ccc(cc1)OCCO	0.557	0.548	0.605	0.718	0.845	0.922	0.939	0.79	0.441	0.654	0.59
Compound_502	CCSCC(=O)C	0.719	0.088	0.72	0.525	0.133	0.026	0.984	0.056	0.399	0.99	0.937
Compound_503	Cc1cc(C)c(c(c1C)I)C	0.804	0.161	0.849	0.609	0.117	0.082	0.973	0.941	0.65	0.998	0.194
Compound_504	NC(=O)CCn1ccc2c1cccc2	0.213	0.477	0.947	0.429	0.043	0.287	0.017	0.201	0.478	0.005	0.228
Compound_505	CCN1C(=S)S/C(=C(\C=C2SCCN2C)/C)/C1=O	0.436	0.543	0.053	0.343	0.163	0.563	0.119	0.831	0.48	0.979	0.638
Compound_506	CNCc1ccccn1	0.101	0.251	0.203	0.361	0.019	0.081	0.0	0.429	0.789	0.002	0.069
Compound_507	S=c1scc([nH]1)c1ccccc1	0.485	0.533	0.356	0.582	0.086	0.822	0.995	0.121	0.855	0.921	0.797
Compound_508	COC(=O)CCCCCCCC(=O)O	0.666	0.025	0.089	0.22	0.079	0.019	0.493	0.288	0.171	0.281	0.272
Compound_509	ClC(=O)COCC(=O)Cl	0.875	0.128	0.264	0.609	0.012	0.107	0.985	0.993	0.751	0.987	0.993
Compound_510	COC(=O)C(=O)[C@H]([C@@H]([C@@H](CO)O)O)O	0.25	0.073	0.034	0.457	0.053	0.057	0.029	0.056	0.018	0.019	0.174
Compound_511	CC1=CCC/C(=C\CCC(=CCC1)C)/C	0.83	0.152	0.76	0.538	0.142	0.005	0.918	0.926	0.896	0.998	0.516
Compound_512	CCCCCCNC(=S)NCCCCCC	0.079	0.109	0.054	0.372	0.023	0.318	0.001	0.493	1.005	0.995	0.281
Compound_513	COc1cc2C(=O)CCc2cc1OC	0.614	0.432	0.641	0.522	0.227	0.505	0.908	0.282	0.622	0.716	0.567
Compound_514	COc1cc(CCC(=O)O)ccc1OC	0.449	0.14	0.202	0.262	0.174	0.087	0.921	0.014	0.204	0.128	0.008
Compound_515	[O-]C(=O)C(c1cscc1)C(=O)[O-]	0.631	0.359	0.242	0.352	0.166	0.311	0.823	0.026	0.591	0.208	0.863
Compound_516	O=N(=O)c1ccc(c(c1)S(=O)(=O)C)Cl	0.932	0.352	0.622	0.705	0.484	0.606	0.983	0.842	0.421	0.994	0.64
Compound_517	O=C1NC(=S)NC1(c1ccccc1)c1ccccc1	0.346	0.648	0.374	0.365	0.034	0.797	0.937	0.021	0.467	0.184	0.833
Compound_518	COC1=CC(=O)C(=O)C=C1OC	0.944	0.393	0.628	0.587	0.342	0.687	0.989	0.951	0.496	0.647	0.592
Compound_519	Cc1ccc(cc1)COC(=O)c1ccc(cc1)C	0.584	0.667	0.964	0.608	0.307	0.784	0.984	0.06	0.579	0.572	0.753
Compound_520	OCC(C(C)C)(CO)C	0.701	0.042	0.144	0.525	0.057	0.02	0.728	0.483	0.229	0.288	0.448
Compound_521	Oc1cc(OCCOc2ccccc2)ccc1C(=O)c1ccccc1	0.546	0.541	0.957	0.823	0.997	0.981	0.991	0.681	0.684	0.854	0.876
Compound_522	OCCN(C(=O)CCCCCCCCCCCCCCC)CC(CN(C(=O)CCCCCCCCCCCCCCC)CCO)O	0.49	0.129	0.062	0.553	0.041	0.599	0.068	0.118	0.11	0.038	0.176
Compound_523	CN=NNc1ccc(cc1)C	0.492	0.319	0.93	0.524	0.235	0.791	0.941	0.116	0.763	0.614	0.209
Compound_524	Clc1cc2NC(=NS(=O)(=O)c2cc1Cl)C1CC=CC1	0.439	0.438	0.848	0.659	0.688	0.671	0.06	0.844	0.413	0.165	0.162
Compound_525	Ic1ccccc1c1ccccc1	0.98	0.376	0.944	0.794	0.387	0.321	0.997	0.208	0.737	0.98	0.493
Compound_526	O=N(=O)c1cccc(c1)c1ccccc1	0.998	0.539	0.986	0.839	0.483	0.769	0.998	0.971	0.827	0.998	0.942
Compound_527	NC(=O)OCC=C	0.52	0.059	0.114	0.396	0.284	0.147	0.75	0.802	0.055	0.341	0.588
Compound_528	C=CCC1CCCCC1	0.99	0.186	0.32	0.652	0.511	0.056	0.992	0.903	0.548	0.999	0.555
Compound_529	ClCOc1ccc(cc1)Cl	0.906	0.195	0.922	0.75	0.172	0.227	0.825	0.744	0.683	0.985	0.767
Compound_530	CCN1CCSC1=CC=C1SC(=S)N(C1=O)CC(=O)O	0.34	0.529	0.013	0.22	0.481	0.369	0.565	0.154	0.898	0.902	0.471
Compound_531	O=N(=O)c1c(cccc1C(=O)O)C(=O)O	0.846	0.152	0.536	0.399	0.129	0.242	0.895	0.949	0.587	0.654	0.905
Compound_532	COC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)c1cc(Cl)ccc1OC	0.121	0.422	0.075	0.207	0.279	0.666	0.508	0.366	0.242	0.077	0.32
Compound_533	c1ccc(cc1)Cc1ccncc1	0.398	0.664	0.64	0.54	0.056	0.577	0.003	0.043	0.902	0.93	0.708
Compound_534	O=C1CC2(C(C1)(C)CC(=O)C2)C	0.972	0.571	0.293	0.482	0.017	0.06	0.244	0.361	0.342	0.977	0.966
Compound_535	CC(CC#C)O	0.759	0.195	0.054	0.44	0.047	0.135	0.902	0.157	0.238	0.553	0.362
Compound_536	CCCCCCCCCCCCCCCCc1cc(O)c(cc1O)C	0.874	0.374	0.66	0.531	0.584	0.451	0.849	0.946	0.95	0.972	0.693
Compound_537	CCOC(=O)C1=C(C)NC(=C(C1c1cc(OC)c(cc1N(=O)=O)OC)C(=O)OCC)C	0.577	0.819	0.965	0.628	0.604	0.622	0.433	0.331	0.548	0.038	0.936
Compound_538	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCC=CCCCCCCCC	0.983	0.096	0.42	0.745	0.646	0.206	0.999	0.969	0.454	1.0	0.909
Compound_539	CNCC(=O)c1ccc(cc1)O	0.14	0.178	0.051	0.252	0.19	0.689	0.001	0.062	0.516	0.0	0.018
Compound_540	Oc1ccc(cc1C(C)(C)C)OP(=O)(Oc1ccc(c(c1)C(C)(C)C)O)Oc1ccc(c(c1)C(C)(C)C)O	0.851	0.526	0.949	0.673	0.969	0.33	0.763	0.691	0.635	0.98	0.769
Compound_541	CCCCCCCCCCCCCCCCNC(=O)C=C	0.361	0.06	0.076	0.469	0.144	0.499	0.697	0.96	0.818	0.963	0.434
Compound_542	OCCOCCOCCOCCOC(=O)C(=C)C	0.937	0.257	0.038	0.645	0.591	0.25	0.438	0.738	0.643	0.968	0.729
Compound_543	OC(=O)c1cc(I)c(c(c1)I)N	0.451	0.401	0.494	0.404	0.366	0.217	0.975	0.113	0.469	0.063	0.423
Compound_544	CCOC(=O)Cc1cccc2c1cccc2	0.406	0.582	0.854	0.62	0.114	0.101	0.998	0.735	0.158	0.982	0.958
Compound_545	OCCOc1cc(Cl)c(cc1Cl)Cl	0.514	0.11	0.551	0.698	0.495	0.298	0.951	0.96	0.523	0.963	0.69
Compound_546	C=Cc1ccc(cc1Cl)Cl	0.971	0.262	0.599	0.662	0.607	0.252	0.994	0.959	0.776	0.999	0.319
Compound_547	Oc1ccc(cc1CN1CCCCC1)C	0.143	0.288	0.708	0.298	0.033	0.787	0.002	0.445	0.433	0.107	0.043
Compound_548	CCOC(=O)c1cc(C)cc(c1)C	0.459	0.133	0.987	0.628	0.024	0.106	0.986	0.009	0.661	0.622	0.493
Compound_549	O=c1oc(c(o1)c1ccccc1)c1ccccc1	0.58	0.499	0.877	0.805	0.193	0.53	0.991	0.906	0.878	0.348	0.281
Compound_550	Oc1ccc(cc1Cc1ccccc1)c1ccccc1	0.847	0.611	0.902	0.804	0.963	1.0	0.583	0.996	0.78	0.863	0.534
Compound_551	O=S1(=O)CS(=O)(=O)CS(=O)(=O)C1	0.762	0.449	0.118	0.503	0.465	0.398	0.522	0.983	0.747	0.702	0.301
Compound_552	CCOP(=O)(c1ccc(cc1)P(=O)(OCC)OCC)OCC	0.903	0.264	0.824	0.555	0.334	0.251	0.998	0.267	0.47	0.985	0.473
Compound_553	ClCC(=O)N(C(C#C)C)c1ccccc1	0.948	0.392	0.205	0.587	0.854	0.403	0.976	0.962	0.465	0.851	0.934
Compound_554	c1ccc(nc1)SSc1ccccn1	0.883	0.608	0.454	0.477	0.405	0.728	0.936	0.139	0.971	0.984	0.804
Compound_555	OC/C(=C(/CO)\Br)/Br	0.866	0.257	0.115	0.583	0.258	0.076	0.984	0.891	0.639	0.845	0.975
Compound_556	O=C1CC2C(C1(CC2)CS(=O)(=O)Cl)(C)C	0.836	0.717	0.04	0.533	0.237	0.232	0.139	0.996	0.334	0.989	0.522
Compound_557	N#CCc1cccc(c1)C(=O)c1ccccc1	0.873	0.622	0.706	0.583	0.403	0.626	0.885	0.844	0.876	0.862	0.979
Compound_558	O=c1c2ccccc2c2c3c1c(ccc3n(c(=O)c2)C)NC1CCCCC1	0.56	0.652	0.801	0.708	0.51	0.331	0.593	0.7	0.564	0.137	0.054
Compound_559	O=N(=O)c1ccc2c(c1)c(C)c([nH]2)C	0.672	0.547	0.99	0.521	0.555	0.705	0.977	0.958	0.835	0.984	0.928
Compound_560	c1ccc(nc1)c1cscc1	0.852	0.653	0.912	0.689	0.194	0.747	0.02	0.635	0.984	0.486	0.607
Compound_561	CP(=O)(c1ccccc1)c1ccccc1	0.549	0.357	0.811	0.553	0.676	0.038	0.999	0.431	0.91	0.996	0.704
Compound_562	OC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)O)N	0.483	0.735	0.668	0.424	0.552	0.903	0.987	0.566	0.598	0.122	0.719
Compound_563	CCCCCCCCCCCCCCCCCCCCCC(=O)OC=C	0.897	0.008	0.341	0.615	0.253	0.097	0.999	0.979	0.149	1.0	0.905
Compound_564	CCCCCCCCCCCCCCCc1ccccc1	0.9	0.12	0.443	0.557	0.118	0.401	0.999	0.926	0.972	1.0	0.528
Compound_565	CCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCC	0.871	0.003	0.251	0.736	0.096	0.106	0.998	0.649	0.328	0.998	0.912
Compound_566	Cc1cc(C)c2c(c1)ccc(c2)C	0.9	0.55	0.974	0.645	0.109	0.095	0.968	0.993	0.991	0.999	0.909
Compound_567	Cc1cc(C)c2c(c1)c(C)ccc2	0.9	0.55	0.978	0.641	0.109	0.095	0.968	0.994	0.974	0.999	0.909
Compound_568	Cc1ccc(c2c1cccc2C)C	0.921	0.55	0.932	0.604	0.109	0.095	0.968	0.991	0.966	0.999	0.909
Compound_569	Cc1ccc2c(c1)c(C)ccc2C	0.942	0.55	0.944	0.629	0.109	0.095	0.968	0.989	0.979	0.999	0.909
Compound_570	S=C=Nc1ccc(cc1)Cl	0.899	0.399	0.862	0.694	0.308	0.773	1.0	0.897	0.827	0.996	0.881
Compound_571	S=C=Nc1ccc(cc1)N(=O)=O	0.969	0.249	0.942	0.667	0.101	0.841	0.999	0.996	0.564	1.0	0.89
Compound_572	CN(c1ccc(cc1)N=C=S)C	0.904	0.442	0.955	0.582	0.117	0.884	0.986	0.947	0.943	0.997	0.851
Compound_573	O=N(=O)c1ccc(c(c1)C)S(=O)(=O)Cl	0.944	0.335	0.979	0.74	0.17	0.301	0.948	0.925	0.589	0.972	0.61
Compound_574	OCCC=O	0.532	0.103	0.052	0.43	0.102	0.594	0.94	0.2	0.234	0.036	0.769
Compound_575	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_576	COc1cc(cc(c1O)C(=O)O)C(=O)O	0.283	0.153	0.13	0.352	0.196	0.134	0.24	0.099	0.384	0.171	0.16
Compound_577	O=Nc1ccccc1NC(=O)C	0.811	0.39	0.922	0.473	0.41	0.062	0.784	0.607	0.848	0.957	0.599
Compound_578	O=CC=P(c1ccccc1)(c1ccccc1)c1ccccc1	0.477	0.477	0.864	0.576	0.955	0.881	0.999	0.673	0.912	0.993	0.804
Compound_579	Clc1cccc(c1)C(Cl)(Cl)Cl	0.928	0.173	0.866	0.716	0.408	0.619	0.995	0.966	0.209	0.997	0.158
Compound_580	Oc1ccc(c(c1)O)C1CCCCC1	0.887	0.437	0.346	0.686	0.888	0.918	0.896	0.897	0.483	0.811	0.548
Compound_581	Clc1ccc(c(c1)O)O	0.919	0.144	0.676	0.609	0.749	0.165	0.587	0.758	0.601	0.987	0.893
Compound_582	CC(c1ccc(c(c1)O)O)C	0.902	0.107	0.615	0.583	0.761	0.076	0.955	0.988	0.138	0.96	0.232
Compound_583	CC(c1cccc(c1O)O)C	0.725	0.107	0.587	0.645	0.5	0.019	0.566	0.691	0.511	0.96	0.232
Compound_584	CC(c1cc(O)c(c(c1)C(C)C)O)C	0.726	0.095	0.618	0.556	0.528	0.19	0.191	0.967	0.601	0.977	0.345
Compound_585	OCC(COC)(CO)C	0.771	0.099	0.094	0.458	0.034	0.05	0.435	0.474	0.398	0.082	0.468
Compound_586	CC(Cc1nc(N)nc(n1)N)Cc1nc(N)nc(n1)N	0.391	0.631	0.754	0.477	0.1	0.394	0.011	0.074	0.824	0.039	0.433
Compound_587	C1CCN(C1)C1=Cc2c(CC1)cccc2	0.268	0.469	0.111	0.139	0.054	0.36	0.002	0.064	0.571	0.756	0.215
Compound_588	C1CCc2c(C1)cc1c(c2)cccc1	0.839	0.471	0.932	0.609	0.341	0.456	0.997	0.962	0.931	1.0	0.946
Compound_589	CCOCCC#N	0.873	0.171	0.362	0.527	0.114	0.071	0.97	0.605	0.411	0.824	0.855
Compound_590	O=C1N(Cc2ccccc2)C(=O)c2c1cccc2	0.581	0.677	0.585	0.491	0.058	0.639	0.086	0.194	0.529	0.782	0.642
Compound_591	N#Cc1ccc(c(c1)Cl)C	0.931	0.117	0.43	0.691	0.732	0.086	0.997	0.381	0.778	0.985	0.778
Compound_592	CC(=O)c1ccccc1Cl	0.928	0.08	0.744	0.622	0.262	0.381	0.981	0.897	0.889	0.998	0.679
Compound_593	CC(=O)c1ccccc1Br	0.972	0.074	0.744	0.622	0.115	0.698	0.965	0.897	0.621	0.998	0.689
Compound_594	Cc1ccc(c(c1)C(=O)C)C	0.797	0.058	0.85	0.518	0.019	0.106	0.506	0.177	0.904	0.989	0.644
Compound_595	CC(=O)c1c(C)cccc1C	0.776	0.058	0.757	0.556	0.016	0.049	0.42	0.31	0.904	0.989	0.644
Compound_596	S=c1ncn([nH]1)c1ccccc1	0.42	0.402	0.378	0.426	0.027	0.741	0.004	0.024	0.804	0.862	0.569
Compound_597	COc1cc(cc(c1OC)OC)C(=O)NCCCCCC(=O)O	0.048	0.425	0.147	0.122	0.029	0.41	0.035	0.025	0.383	0.005	0.022
Compound_598	N(=Cc1cccc2c1cccc2)N=Cc1cccc2c1cccc2	0.505	0.742	0.931	0.617	0.78	0.816	0.967	0.925	0.732	0.986	0.939
Compound_599	O=C1Nc2ccc(cc2C(O1)(C)C)Br	0.709	0.616	0.966	0.675	0.596	0.652	0.469	0.646	0.441	0.298	0.24
Compound_600	COC(=O)c1ccc(o1)CCl	0.193	0.113	0.496	0.573	0.036	0.112	0.962	0.98	0.9	0.695	0.825
Compound_601	Nc1cccc2c1[nH]nc2	0.447	0.625	0.994	0.598	0.5	0.57	0.284	0.944	0.8	0.801	0.789
Compound_602	O=C(OOC(=O)OCc1ccccc1)OCc1ccccc1	0.521	0.539	0.642	0.573	0.228	0.499	0.997	0.635	0.77	0.942	0.327
Compound_603	CC(OC(=O)c1ccc(c(c1)N)C)C	0.141	0.326	0.988	0.604	0.107	0.365	0.922	0.064	0.613	0.135	0.385
Compound_604	CC=C1CCCC1	0.905	0.34	0.811	0.596	0.088	0.006	0.953	0.959	0.872	0.996	0.923
Compound_605	CN(CC(OC(=O)C(=C)C)CN(C)C)C	0.155	0.099	0.001	0.15	0.225	0.008	0.002	0.382	0.62	0.444	0.516
Compound_606	OC(=O)c1c(N)cccc1Cl	0.416	0.407	0.612	0.32	0.593	0.227	0.973	0.216	0.662	0.217	0.803
Compound_607	CCCCN1C(=S)SCC1=O	0.138	0.496	0.283	0.676	0.028	0.499	0.437	0.21	0.438	0.997	0.457
Compound_608	O=N(=O)NC(=[NH2+])NCCC[C@@H](C(=O)[O-])[NH3+]	0.067	0.09	0.134	0.235	0.05	0.457	0.001	0.736	0.108	0.035	0.31
Compound_609	COc1cc(OC)cc(c1)C(=O)OC	0.623	0.174	0.927	0.663	0.252	0.017	0.891	0.009	0.721	0.233	0.167
Compound_610	COC(=O)c1ccc(c(c1)OC)OC	0.522	0.154	0.916	0.606	0.329	0.111	0.95	0.005	0.348	0.565	0.234
Compound_611	COC(=O)c1cccc(c1OC)OC	0.32	0.168	0.803	0.565	0.055	0.024	0.269	0.005	0.378	0.339	0.208
Compound_612	COC(=O)c1cc(O)cc(c1)O	0.853	0.192	0.904	0.567	0.5	0.114	0.667	0.118	0.887	0.038	0.059
Compound_613	COC(=O)c1cc(O)ccc1O	0.721	0.173	0.652	0.567	0.404	0.164	0.073	0.17	0.452	0.172	0.133
Compound_614	COC(=O)c1ccc(cc1O)O	0.816	0.19	0.513	0.571	0.85	0.688	0.357	0.032	0.462	0.187	0.091
Compound_615	CCOc1ccc(cc1)N(c1ccccc1)C	0.716	0.714	0.941	0.681	0.827	0.948	0.112	0.331	0.213	0.873	0.852
Compound_616	CN(c1ccc(cc1)N=C1C=CC(=O)C=C1)C	0.401	0.61	0.982	0.692	0.288	0.756	0.689	0.906	0.956	0.885	0.7
Compound_617	NCCNCCNCCNCCNC(=O)NCCNCCNCCNCCN	0.023	0.053	0.007	0.204	0.084	0.184	0.009	0.011	0.121	0.034	0.091
Compound_618	Brc1ccc(cc1)c1nnc(o1)c1ccccc1	0.451	0.598	0.901	0.806	0.5	0.65	0.803	0.122	0.557	0.426	0.623
Compound_619	COc1cc(ccc1O)c1oc2cc(O)ccc2c(=O)c1O	0.778	0.859	0.952	0.869	0.91	0.573	0.942	0.971	0.474	0.01	0.942
Compound_620	CCOC(=O)Nc1nnc(s1)SC(=O)OCC	0.514	0.376	0.868	0.468	0.306	0.366	0.105	0.066	0.301	0.159	0.736
Compound_621	Oc1ccc(cc1N=Nc1ccccc1)c1ccccc1	0.965	0.85	0.983	0.857	0.953	0.91	0.997	0.985	0.885	0.958	0.913
Compound_622	CCOc1cc([N+]#N)c(cc1N1CCOCC1)OCC	0.405	0.593	0.625	0.605	0.312	0.345	0.024	0.247	0.359	0.027	0.515
Compound_623	O=C(c1ccccc1C(=O)O)c1ccc(cc1)N(C)C	0.861	0.678	0.497	0.469	0.558	0.855	0.993	0.353	0.662	0.17	0.44
Compound_624	Cc1coc2c1cccc2	0.419	0.493	0.959	0.566	0.014	0.302	0.68	0.657	0.776	0.997	0.764
Compound_625	Cc1cccc(c1)NC(=S)N(C)C	0.744	0.313	0.291	0.398	0.042	0.554	0.238	0.13	0.885	0.985	0.367
Compound_626	S=C(NC1CCCCC1)NCCN1CCOCC1	0.033	0.217	0.018	0.123	0.03	0.559	0.0	0.047	0.292	0.807	0.1
Compound_627	OCc1cccc(n1)COC(=O)C(Oc1ccc(cc1)Cl)(C)C	0.086	0.656	0.087	0.593	0.346	0.384	0.564	0.498	0.189	0.027	0.632
Compound_628	O=C1c2cccc(c2C(=O)c2c1cccc2S(=O)(=O)O)N	0.418	0.288	0.878	0.333	0.632	0.674	0.878	0.627	0.367	0.065	0.68
Compound_629	C=CCN(C)C	0.319	0.101	0.01	0.234	0.085	0.009	0.038	0.954	0.113	0.771	0.43
Compound_630	O=N(=O)c1cc(ccc1Nc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.968	0.63	0.936	0.565	0.804	0.317	0.848	0.992	0.799	0.998	0.961
Compound_631	ClC(=O)OCCCCOC(=O)Cl	0.75	0.076	0.245	0.652	0.135	0.153	0.972	0.995	0.796	0.995	0.973
Compound_632	C=CCCCCCC=O	0.928	0.154	0.272	0.601	0.203	0.287	1.0	0.984	0.194	1.0	0.905
Compound_633	Clc1cc(cc(c1)C(=O)O)C(=O)O	0.535	0.093	0.272	0.431	0.19	0.153	0.834	0.607	0.674	0.108	0.339
Compound_634	ON=C1c2ccccc2c2c1cccc2	0.856	0.705	0.98	0.761	0.374	0.884	0.914	0.981	0.695	0.998	0.979
Compound_635	ON=C(C/C(=N/O)/C)C	0.67	0.253	0.693	0.499	0.076	0.082	0.901	0.429	0.478	0.617	0.786
Compound_636	CCOCCOC(=O)Nc1cccc2c1cc(O)cc2	0.795	0.614	0.971	0.587	0.837	0.892	0.832	0.73	0.434	0.278	0.562
Compound_637	CN1CCN(CC1)CC(c1ccccc1)(c1ccccc1)O	0.015	0.471	0.156	0.045	0.054	0.096	0.0	0.036	0.272	0.001	0.09
Compound_638	NC(=O)N1CCOCC1	0.049	0.111	0.015	0.268	0.016	0.009	0.004	0.015	0.401	0.13	0.089
Compound_639	OCCc1c(C)[nH]c(=S)[nH]c1=O	0.222	0.424	0.439	0.302	0.055	0.164	0.662	0.02	0.381	0.006	0.601
Compound_640	NCCCC1OCC2(CO1)COC(OC2)CCCN	0.186	0.49	0.033	0.357	0.024	0.133	0.002	0.005	0.199	0.013	0.232
Compound_641	CCN(c1ccccc1)CCC(=O)OC	0.474	0.623	0.315	0.515	0.197	0.057	0.045	0.981	0.284	0.012	0.445
Compound_642	OCCN(C(C)(C)C)CCO	0.049	0.084	0.18	0.228	0.019	0.044	0.007	0.639	0.294	0.008	0.298
Compound_643	OCC1(CO)CCC=CC1	0.808	0.244	0.114	0.587	0.333	0.432	0.947	0.533	0.545	0.157	0.402
Compound_644	CCOc1ccc(c2c1cccc2)c1nc(Cl)nc(n1)Cl	0.645	0.692	0.977	0.794	0.706	0.781	0.786	0.967	0.656	0.767	0.905
Compound_645	OCCN(c1cc(ccc1OCC)NC(=O)C)CCO	0.256	0.344	0.07	0.443	0.119	0.167	0.001	0.023	0.366	0.035	0.093
Compound_646	CC(=O)OCCN(c1cccc(c1)C)CCOC(=O)C	0.269	0.517	0.856	0.645	0.167	0.039	0.072	0.809	0.725	0.367	0.544
Compound_647	Clc1cccc2c1nccc2Cl	0.838	0.569	0.946	0.507	0.435	0.414	0.201	0.561	0.973	0.982	0.83
Compound_648	Clc1ccc2c(c1)NCCC2=O	0.485	0.395	0.893	0.399	0.442	0.231	0.014	0.545	0.498	0.071	0.525
Compound_649	CC(=O)c1cc(C(=O)C)c(cc1O)O	0.96	0.179	0.798	0.61	0.067	0.508	0.426	0.311	0.803	0.132	0.27
Compound_650	OC(=O)CC1=CCCC1	0.685	0.251	0.349	0.148	0.206	0.006	0.98	0.335	0.043	0.709	0.575
Compound_651	CCCCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.933	0.693	0.832	0.782	0.974	0.964	0.9	0.875	0.695	0.875	0.971
Compound_652	CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1	0.231	0.357	0.118	0.495	0.092	0.151	0.005	0.041	0.264	0.45	0.235
Compound_653	ClCCCCCCCCCl	1.0	0.068	0.313	0.647	0.625	0.513	0.989	0.966	0.095	1.0	0.93
Compound_654	CCCC(C(=O)OCC)C(=O)OCC	0.772	0.015	0.356	0.686	0.093	0.035	0.967	0.403	0.38	0.945	0.853
Compound_655	COc1cc(c(cc1N)C)S(=O)(=O)CCOS(=O)(=O)O	0.362	0.412	0.624	0.317	0.356	0.665	0.344	0.191	0.354	0.013	0.5
Compound_656	Clc1ccc(c(c1)N(=O)=O)S(=O)(=O)C	0.891	0.345	0.708	0.673	0.563	0.593	0.983	0.321	0.421	0.993	0.661
Compound_657	CCCCCCc1ccc(cc1)C(=O)O	0.614	0.057	0.083	0.261	0.176	0.254	0.7	0.561	0.214	0.869	0.289
Compound_658	NCCN(c1ccc(cc1)Cl)C	0.226	0.369	0.34	0.443	0.161	0.242	0.032	0.342	0.404	0.04	0.223
Compound_659	O=N(=O)c1c(O)nc[nH]c1=O	0.223	0.403	0.283	0.421	0.291	0.203	0.067	0.929	0.624	0.45	0.64
Compound_660	CC(OP(=O)(CC#N)OC(C)C)C	0.935	0.175	0.094	0.492	0.567	0.377	0.988	0.881	0.869	0.045	0.655
Compound_661	O=c1ccc(n[nH]1)c1ccccc1	0.148	0.484	0.84	0.591	0.167	0.556	0.889	0.213	0.904	0.021	0.599
Compound_662	N#Cc1cc(Cl)ccc1Cl	0.96	0.127	0.87	0.692	0.766	0.29	0.993	0.849	0.878	0.994	0.891
Compound_663	CCOC(=O)CC(=O)c1ccc(nc1)C	0.363	0.328	0.658	0.599	0.057	0.276	0.049	0.773	0.284	0.052	0.781
Compound_664	CCCCS(=O)CCCC	0.617	0.126	0.315	0.548	0.148	0.029	0.918	0.667	0.481	1.0	0.642
Compound_665	CCCCCCCCCCCCS(=O)CCCCCCCCCCCC	0.863	0.111	0.315	0.548	0.269	0.164	0.996	0.667	0.48	1.0	0.652
Compound_666	O=C([C@@H](N)C)OC(C)(C)C	0.061	0.042	0.012	0.441	0.024	0.002	0.0	0.076	0.348	0.019	0.245
Compound_667	CC(=O)OC1C(OC(=O)C)C(OC1n1ncc(=O)[nH]c1=O)COC(=O)C	0.522	0.32	0.155	0.656	0.174	0.107	0.941	0.013	0.428	0.209	0.918
Compound_668	OC(=O)c1cc2ccccc2cc1C(=O)O	0.74	0.33	0.871	0.386	0.248	0.406	0.943	0.916	0.718	0.268	0.919
Compound_669	O=C1OC(=O)C(=C)C1	0.93	0.347	0.274	0.548	0.229	0.038	0.996	0.998	0.865	0.82	0.91
Compound_670	NCCNc1ccccc1C	0.127	0.363	0.899	0.409	0.036	0.025	0.005	0.165	0.356	0.031	0.403
Compound_671	CCc1cccc([nH+]1)N	0.169	0.308	0.336	0.496	0.24	0.784	0.017	0.614	0.797	0.032	0.059
Compound_672	O=c1oc2c(o1)cccc2	0.583	0.232	0.705	0.494	0.127	0.016	0.788	0.141	0.669	0.694	0.247
Compound_673	ClC(=O)CC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.923	0.534	0.662	0.707	0.982	0.505	0.998	0.986	0.468	0.986	0.982
Compound_674	N#CCC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl	0.928	0.588	0.487	0.632	0.987	0.918	0.961	0.897	0.543	0.943	0.972
Compound_675	CCNc1nc(nc(n1)OC)NC(C#N)(C)C	0.497	0.217	0.583	0.43	0.037	0.109	0.0	0.1	0.495	0.85	0.47
Compound_676	Clc1ccc(cc1)Oc1cc(N(=O)=O)c(cc1N(C)C)Cl	0.797	0.743	0.862	0.607	0.454	0.382	0.621	0.975	0.574	0.996	0.966
Compound_677	COC(=O)NC#N	0.41	0.14	0.479	0.475	0.247	0.037	0.018	0.939	0.919	0.262	0.599
Compound_678	O=N(=O)c1cc(ccc1N)S(=O)(=O)C	0.929	0.202	0.861	0.568	0.397	0.478	0.227	0.319	0.393	0.812	0.511
Compound_679	OCCNC(=O)c1cc(O)cc(c1)O	0.106	0.371	0.251	0.341	0.038	0.248	0.006	0.071	0.671	0.015	0.026
Compound_680	OCc1cc2CCC(Nc2cc1N(=O)=O)CNC(C)C	0.253	0.346	0.156	0.098	0.094	0.163	0.0	0.375	0.321	0.031	0.56
Compound_681	Brc1ccc(c(c1)C(=O)[O-])Cl	0.96	0.14	0.718	0.481	0.627	0.42	0.995	0.785	0.475	0.994	0.778
Compound_682	Clc1ccc(c(c1)C(=O)O)Br	0.728	0.072	0.378	0.462	0.215	0.67	0.994	0.264	0.536	0.952	0.667
Compound_683	OC(=O)Cc1n[nH]nn1	0.331	0.277	0.236	0.247	0.114	0.137	0.006	0.068	0.387	0.001	0.411
Compound_684	CCCN1C(=O)C=CC1=O	0.148	0.467	0.562	0.648	0.077	0.089	0.069	0.528	0.744	0.827	0.358
Compound_685	COc1cc(O)cc(c1)O	0.94	0.202	0.8	0.677	0.386	0.018	0.917	0.014	0.831	0.089	0.237
Compound_686	C[C@H](c1ccccc1)NC(=O)c1ccccc1C(=O)O	0.13	0.544	0.102	0.338	0.043	0.432	0.676	0.102	0.403	0.056	0.105
Compound_687	c1ccc2c(c1)c1ccccc1c1c2cccc1	0.988	0.649	0.974	0.613	0.843	0.737	0.998	0.933	0.983	1.0	0.952
Compound_688	COc1cc(O)c2c(c1)oc(cc2=O)c1ccc(c(c1)c1c(O)cc(c2c1oc(cc2=O)c1ccc(cc1)O)O)O	0.802	0.928	0.9	0.795	0.849	0.721	0.978	0.964	0.867	0.041	0.89
Compound_689	C=COC(=O)C=C	0.892	0.076	0.629	0.656	0.535	0.338	1.0	1.0	0.955	0.995	0.904
Compound_690	C=CC(=O)C1CCCCC1	0.99	0.211	0.649	0.66	0.328	0.128	0.968	0.906	0.764	1.0	0.72
Compound_691	O=C1NS(=O)(=O)Cc2c1cccc2	0.505	0.463	0.511	0.352	0.016	0.348	0.12	0.136	0.31	0.038	0.211
Compound_692	N#Cc1ccc(cc1C)C	0.902	0.134	0.905	0.605	0.41	0.035	0.956	0.482	0.933	0.904	0.773
Compound_693	CCCCSc1nnc(s1)SC(=O)OCC	0.794	0.515	0.788	0.625	0.478	0.424	0.995	0.379	0.344	0.221	0.758
Compound_694	NCCCC[C@@H](C(=O)Oc1ccc(cc1)N(=O)=O)NC(=O)OCc1ccccc1	0.511	0.591	0.125	0.414	0.873	0.849	0.126	0.539	0.217	0.214	0.249
Compound_695	c1ccc(cc1)c1c(cc2n1cccc2)c1ccccc1	0.863	0.589	0.729	0.734	0.396	0.906	0.871	0.403	0.984	0.944	0.792
Compound_696	N#CC(Nc1ccccc1)(C)C	0.629	0.334	0.896	0.505	0.244	0.143	0.787	0.927	0.494	0.323	0.798
Compound_697	CCCCOC(=O)/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl	0.89	0.066	0.167	0.788	0.751	0.733	1.0	0.967	0.511	0.992	0.972
Compound_698	OCS(=O)(=O)c1ccc(cc1)C	0.568	0.392	0.763	0.48	0.224	0.16	0.923	0.004	0.377	0.039	0.209
Compound_699	CCCCCCCCCCCCCCCCCCNc1nc(N)nc(n1)N	0.371	0.333	0.68	0.422	0.051	0.601	0.142	0.548	0.886	0.617	0.183
Compound_700	O=C1NCC(=O)O1	0.064	0.208	0.396	0.304	0.067	0.012	0.006	0.92	0.265	0.018	0.346
Compound_701	OCCN(c1ccc(c(c1)C)C=O)CC	0.38	0.403	0.092	0.415	0.112	0.481	0.113	0.231	0.272	0.003	0.214
Compound_702	OCCCCC(=O)C	0.65	0.117	0.089	0.523	0.028	0.041	0.94	0.176	0.289	0.081	0.153
Compound_703	C=CCNC(=O)C(=C)C	0.072	0.137	0.281	0.436	0.024	0.004	0.002	0.997	0.381	0.915	0.89
Compound_704	OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C	0.838	0.795	0.191	0.586	0.729	0.738	0.324	0.746	0.43	0.791	0.761
Compound_705	OC(=O)c1cc(Oc2ccc(cc2)N(=O)=O)c2c(c1O)cccc2	0.676	0.872	0.829	0.553	0.982	0.965	0.987	0.958	0.388	0.987	0.967
Compound_706	CCCCCCCCc1ccccc1	0.9	0.12	0.443	0.557	0.082	0.08	0.984	0.926	0.972	1.0	0.528
Compound_707	ClCCNS(=O)(=O)C	0.251	0.223	0.237	0.453	0.084	0.069	0.005	0.997	0.412	0.29	0.599
Compound_708	CCCCCCC(=O)OCC(CO)(CO)CO	0.8	0.074	0.118	0.715	0.058	0.054	0.262	0.589	0.082	0.877	0.57
Compound_709	CCOC(=O)C(=O)c1cccn1C	0.142	0.379	0.443	0.504	0.052	0.189	0.123	0.131	0.178	0.06	0.644
Compound_710	OC(=O)Cc1cccn1C	0.033	0.327	0.03	0.217	0.043	0.103	0.017	0.067	0.383	0.001	0.191
Compound_711	ClC(=O)c1c(C)cccc1C	0.883	0.151	0.789	0.673	0.062	0.09	0.993	0.978	0.882	0.991	0.763
Compound_712	O=N(=O)c1c[nH]c(=O)c(c1)C	0.302	0.5	0.289	0.491	0.203	0.277	0.095	0.879	0.772	0.266	0.651
Compound_713	COc1cccc(c1)Oc1ccccc1C(=O)O	0.438	0.729	0.328	0.355	0.748	0.167	0.973	0.011	0.536	0.161	0.372
Compound_714	c1ccc(cc1)N(c1ccccc1)CN(c1ccccc1)c1ccccc1	0.887	0.661	0.908	0.59	0.989	0.927	0.918	0.631	0.421	0.988	0.654
Compound_715	CCN(c1ccc(cc1)[N+]#N)CC	0.785	0.546	0.889	0.574	0.114	0.65	0.798	0.713	0.86	0.968	0.559
Compound_716	Clc1cccc2c1sc1ccccc1c2=O	0.734	0.773	0.987	0.552	0.647	0.673	0.996	0.887	0.834	0.999	0.943
Compound_717	COC(=O)CCNc1ccccc1	0.478	0.358	0.849	0.448	0.115	0.021	0.02	0.422	0.367	0.001	0.151
Compound_718	CCC1(O)C2CCCC1CCC2	0.917	0.661	0.124	0.499	0.191	0.062	0.517	0.329	0.409	0.993	0.725
Compound_719	OC1(C2CCCCC2)C2CCCC1CCC2	0.917	0.465	0.127	0.483	0.46	0.293	0.902	0.371	0.497	0.961	0.582
Compound_720	NC(=O)c1cc(N2CC2)c(cc1N(=O)=O)N(=O)=O	0.632	0.359	0.171	0.389	0.823	0.499	0.144	0.199	0.615	0.333	0.228
Compound_721	C=CCOc1cc(ccc1C(=O)NCCN(CC)CC)C(F)(F)F	0.094	0.518	0.475	0.405	0.057	0.38	0.029	0.897	0.248	0.029	0.151
Compound_722	Nc1nc2c(s1)cc(cc2)S(=O)(=O)O	0.689	0.429	0.997	0.619	0.5	0.656	0.131	0.309	0.54	0.014	0.464
Compound_723	OC(=O)c1[nH]n(c(=O)c1)c1ccc(cc1)S(=O)(=O)O	0.18	0.318	0.473	0.391	0.65	0.572	0.031	0.026	0.367	0.01	0.295
Compound_724	OCCS(=O)(=O)c1ccc(cc1)N1N=C(CC1=O)C	0.379	0.386	0.787	0.483	0.232	0.438	0.214	0.004	0.404	0.002	0.143
Compound_725	Clc1cc(Cl)c(c(c1)c1cc(Cl)cc(c1O)Cl)O	0.987	0.681	0.768	0.614	0.687	0.545	0.877	0.983	0.932	0.986	0.99
Compound_726	CCOC(=O)c1ccccc1NC(=O)c1cc(cc(c1O)C(C)C)C(C)C	0.618	0.795	0.964	0.646	0.806	0.972	0.935	0.149	0.52	0.532	0.437
Compound_727	O=C1OCCOC(=O)CC1	0.851	0.118	0.279	0.684	0.113	0.135	0.946	0.77	0.708	0.988	0.47
Compound_728	CCCNC(C)C	0.029	0.051	0.019	0.186	0.01	0.008	0.001	0.021	0.251	0.839	0.207
Compound_729	CC1(C)CC(C)(C)CC(C1)(C)N	0.281	0.15	0.134	0.378	0.016	0.117	0.012	0.014	0.758	0.05	0.056
Compound_730	CCCC/C=C/CCC	0.93	0.074	0.331	0.625	0.298	0.011	0.986	0.952	0.973	1.0	0.838
Compound_731	CC(=O)Nc1c(C)cccc1C	0.321	0.292	0.487	0.427	0.022	0.042	0.766	0.019	0.802	0.795	0.399
Compound_732	CC(=O)Nc1ccc(c(c1)C)C	0.605	0.292	0.685	0.54	0.069	0.201	0.94	0.054	0.834	0.795	0.399
Compound_733	CC(C(=O)O)NC(=O)c1ccccc1	0.025	0.21	0.064	0.161	0.008	0.04	0.041	0.029	0.235	0.011	0.029
Compound_734	Oc1ccc(cc1Br)C(C)(C)C	0.958	0.149	0.642	0.648	0.677	0.677	0.871	0.611	0.686	0.996	0.844
Compound_735	Clc1ccc2c(c1)cc(cc2)Cl	0.983	0.571	0.944	0.594	0.601	0.412	0.993	0.786	1.008	0.999	0.918
Compound_736	BrCc1c(C)c(CBr)c(c(c1C)CBr)C	0.771	0.177	0.675	0.594	0.149	0.254	0.968	0.898	0.908	0.996	0.659
Compound_737	C=CC(=O)NCOCCOCNC(=O)C=C	0.149	0.176	0.388	0.515	0.403	0.304	0.047	0.984	0.723	0.166	0.618
Compound_738	S[C@@H]1CN[C@@H](C1)C(=O)Nc1cccc(c1)C(=O)O	0.084	0.432	0.026	0.3	0.214	0.263	0.002	0.042	0.331	0.004	0.215
Compound_739	CCOC(=O)c1c(C)c[nH]c1C	0.296	0.38	0.987	0.513	0.143	0.582	0.01	0.006	0.482	0.035	0.918
Compound_740	CCOC(=O)c1c(C)[nH]c(c1C)C=O	0.484	0.388	0.959	0.493	0.358	0.628	0.637	0.003	0.528	0.035	0.909
Compound_741	COc1ccc(cc1Br)C	0.925	0.154	0.937	0.749	0.665	0.657	0.908	0.061	0.769	0.982	0.824
Compound_742	OC(c1c(C)cccc1C)c1c(C)cccc1C	0.374	0.455	0.299	0.545	0.233	0.374	0.459	0.165	0.718	0.991	0.878
Compound_743	CC(=O)OCC(OC(=O)C)(C)C	0.835	0.024	0.037	0.624	0.154	0.082	0.982	0.316	0.802	0.092	0.771
Compound_744	N#CC1(CCCCC1)c1ccccc1	0.956	0.358	0.531	0.65	0.64	0.296	0.718	0.778	0.573	0.87	0.916
Compound_745	Nc1ccc2c(c1)OCCO2	0.418	0.619	0.959	0.616	0.54	0.542	0.925	0.853	0.606	0.915	0.904
Compound_746	O=C(Nc1cccc(c1)O)CC(=O)C	0.635	0.356	0.946	0.536	0.432	0.092	0.636	0.414	0.42	0.013	0.076
Compound_747	Cc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)N(=O)=O)Cc1ccccc1	0.605	0.388	0.714	0.501	0.613	0.804	0.918	0.443	0.356	0.84	0.449
Compound_748	CCOc1ccc(cc1)Nc1ccc(cc1N(=O)=O)S(=O)(=O)N	0.505	0.407	0.259	0.322	0.614	0.606	0.01	0.308	0.168	0.109	0.534
Compound_749	CCCCCCCC(=O)CCCCC	0.979	0.019	0.315	0.548	0.048	0.024	0.991	0.667	0.69	1.0	0.929
Compound_750	NCCNCCNCCNCc1ccccc1	0.018	0.168	0.037	0.326	0.005	0.146	0.001	0.015	0.038	0.064	0.08
Compound_751	N#CCCN(c1ccccc1)CCOC(=O)C	0.562	0.482	0.158	0.581	0.639	0.045	0.045	0.96	0.499	0.452	0.809
Compound_752	Brc1cocc1	0.756	0.255	0.669	0.57	0.647	0.515	0.995	0.416	0.954	0.997	0.84
Compound_753	O=NN(c1ccc(cc1)C(c1ccccc1)(C)C)c1ccc(cc1)C(c1ccccc1)(C)C	0.886	0.52	0.774	0.543	0.982	0.989	0.988	0.767	0.72	0.92	0.877
Compound_754	COC(=O)CCCN1CCCC1	0.175	0.407	0.047	0.144	0.04	0.024	0.022	0.374	0.292	0.092	0.403
Compound_755	O=Cc1ccc(cc1)OCC(=O)[O-]	0.489	0.107	0.126	0.41	0.097	0.301	0.946	0.273	0.463	0.234	0.911
Compound_756	O=Cc1c(C)nn(c1C)c1ccccc1	0.345	0.484	0.048	0.379	0.522	0.463	0.857	0.098	0.898	0.014	0.787
Compound_757	ClCCN1CCCCCC1	0.689	0.249	0.036	0.16	0.553	0.352	0.139	0.688	0.685	0.973	0.816
Compound_758	CC(=O)S[C@@H]1CC2=CC(=O)C[C@@H]([C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]([C@]1(CC2)C)(C)O)C)SC(=O)C	0.88	1.0	0.032	0.809	0.949	0.894	0.212	0.971	0.137	0.97	0.437
Compound_759	OC(=O)C1(N)CC1	0.02	0.258	0.024	0.222	0.031	0.008	0.265	0.002	0.206	0.0	0.242
Compound_760	CC(=N)NO	0.19	0.289	0.788	0.378	0.036	0.19	0.008	0.279	0.653	0.674	0.266
Compound_761	COc1ccc(cc1C(=O)O)C(=O)O	0.249	0.157	0.2	0.282	0.269	0.444	0.154	0.114	0.642	0.086	0.221
Compound_762	O=CC1CCN(CC1)Cc1ccccc1	0.114	0.235	0.187	0.174	0.01	0.517	0.004	0.007	0.445	0.755	0.055
Compound_763	ClCCOC(=O)C=C	0.982	0.146	0.642	0.784	0.566	0.22	1.0	0.999	0.995	0.992	0.969
Compound_764	OC(=O)Cc1cccc(c1)C(=O)c1ccccc1	0.075	0.541	0.266	0.231	0.206	0.72	0.948	0.093	0.357	0.029	0.225
Compound_765	BrCc1cccc(c1)C(=O)c1ccccc1	0.851	0.599	0.867	0.692	0.299	0.886	0.891	0.965	0.793	0.997	0.983
Compound_766	COc1c(cccc1C(=O)c1ccccc1)CC(=O)O	0.095	0.64	0.199	0.26	0.308	0.55	0.932	0.023	0.458	0.055	0.291
Compound_767	N#CCc1cccc(c1OC)C(=O)c1ccccc1	0.606	0.67	0.707	0.653	0.432	0.664	0.754	0.241	0.878	0.035	0.871
Compound_768	COCc1ccc(cc1)C(=O)C	0.712	0.182	0.758	0.543	0.044	0.572	0.969	0.651	0.492	0.485	0.36
Compound_769	COC1(OC)C(=C(C(=C1Cl)Cl)Cl)Cl	0.942	0.495	0.482	0.631	0.442	0.362	0.992	0.992	0.814	0.974	0.859
Compound_770	c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)ccc1c3cccc1	0.988	0.649	0.974	0.697	0.949	0.921	0.996	0.968	0.95	1.0	0.952
Compound_771	COC(=O)c1ccccc1NCC(=O)c1ccccc1	0.309	0.678	0.831	0.446	0.398	0.394	0.743	0.122	0.599	0.011	0.42
Compound_772	CCCCCCOS(=O)(=O)[O-]	0.954	0.01	0.047	0.418	0.022	0.062	0.997	0.921	0.107	0.993	0.353
Compound_773	OC(=O)c1cc2ccccc2c(c1O)Br	0.689	0.575	0.744	0.403	0.678	0.726	0.953	0.831	0.459	0.987	0.913
Compound_774	O=C(c1cc2ccccc2cc1O)Nc1ccc(cc1)N(=O)=O	0.964	0.821	0.997	0.816	0.798	0.988	0.928	0.995	0.367	0.994	0.886
Compound_775	Cc1nc(=O)c(c([nH]1)N)N=O	0.156	0.378	0.822	0.473	0.198	0.04	0.001	0.47	0.814	0.015	0.316
Compound_776	OCC(CCl)(CCl)CO	0.833	0.137	0.115	0.584	0.274	0.263	0.652	0.906	0.597	0.193	0.89
Compound_777	C=CC(=O)NC(C)C	0.143	0.067	0.363	0.535	0.058	0.021	0.006	0.992	0.224	0.985	0.644
Compound_778	CN(CC(C(=O)C)C)C	0.37	0.091	0.008	0.148	0.005	0.012	0.001	0.056	0.239	0.109	0.296
Compound_779	CCCCCC/C=C/CO	0.922	0.073	0.088	0.561	0.421	0.157	0.832	0.647	0.831	0.927	0.778
Compound_780	O=C(c1ccccc1)Oc1cc(C)c(c2c1cccc2)OC(=O)c1ccccc1	0.584	0.709	0.891	0.671	0.963	0.908	0.774	0.682	0.75	0.701	0.837
Compound_781	ONC1CCCCC1	0.166	0.337	0.226	0.521	0.038	0.416	0.001	0.911	0.367	0.899	0.729
Compound_782	C1CCC(CC1)N=Cc1ccccc1	0.702	0.379	0.484	0.57	0.074	0.625	0.052	0.585	0.773	0.939	0.59
Compound_783	CCC(=C)Cl	0.928	0.311	0.287	0.644	0.133	0.003	0.999	0.99	0.808	0.999	0.907
Compound_784	COc1ccc(cc1N(=O)=O)S(=O)(=O)Cl	0.909	0.394	0.818	0.769	0.337	0.607	0.939	0.646	0.637	0.938	0.623
Compound_785	ClC(=O)CBr	0.933	0.066	0.454	0.656	0.525	0.31	0.983	1.0	0.718	0.998	0.991
Compound_786	ClCOC(=O)Cl	0.905	0.036	0.68	0.599	0.464	0.162	0.957	0.998	0.97	0.977	0.953
Compound_787	CC(CC(=C)C)C	0.92	0.064	0.783	0.541	0.057	0.0	0.933	0.954	0.759	0.999	0.935
Compound_788	S=C=Nc1c(Cl)cc(cc1Cl)Cl	0.923	0.376	0.888	0.74	0.198	0.385	0.999	0.977	0.793	0.998	0.911
Compound_789	Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N	0.302	0.278	0.005	0.163	0.606	0.591	0.233	0.003	0.269	0.335	0.3
Compound_790	Clc1nc2ccccc2nc1Cl	0.821	0.635	0.883	0.57	0.645	0.276	0.972	0.857	0.728	0.977	0.952
Compound_791	Cc1cc(cc(c1O)O)C(C)(C)C	0.833	0.1	0.717	0.557	0.623	0.365	0.157	0.939	0.843	0.972	0.478
Compound_792	Cc1ccc(c(c1O)O)C(C)(C)C	0.687	0.1	0.636	0.557	0.6	0.16	0.265	0.868	0.774	0.972	0.478
Compound_793	Cc1cc(O)c(c(c1)C(CC(C)(C)C)(C)C)O	0.849	0.108	0.577	0.534	0.623	0.365	0.157	0.987	0.729	0.956	0.202
Compound_794	O=N(=O)c1cc(cc(c1Cl)N(=O)=O)C(C)(C)C	0.943	0.555	0.637	0.693	0.509	0.353	0.976	0.957	0.707	0.988	0.905
Compound_795	Clc1cc(N(=O)=O)c(c(c1)N(=O)=O)Cl	0.955	0.37	0.779	0.671	0.251	0.354	0.997	0.989	0.732	0.999	0.918
Compound_796	S=C(Nc1ccccc1)NCC(=O)O	0.455	0.288	0.119	0.2	0.269	0.217	0.004	0.558	0.328	0.005	0.177
Compound_797	CC(c1cc(C(C)C)c(c(c1)C(=O)[O-])O)C	0.479	0.18	0.316	0.415	0.361	0.646	0.183	0.04	0.629	0.601	0.367
Compound_798	N#CCCC(c1ccccc1)c1ccccc1	0.825	0.558	0.376	0.518	0.686	0.331	0.982	0.842	0.639	0.895	0.948
Compound_799	OC(=O)c1ccc(cc1)Oc1ccccc1	0.606	0.711	0.599	0.417	0.915	0.94	0.991	0.521	0.391	0.106	0.551
Compound_800	OC(=O)c1ccc(cc1)Oc1ccc(cc1)C(=O)O	0.614	0.735	0.558	0.433	0.909	0.928	0.985	0.772	0.322	0.092	0.86
Compound_801	CCN(c1ccc(cc1)c1oc(nc1c1ccccc1Cl)C=C)CC	0.29	0.638	0.98	0.719	0.683	0.632	0.63	0.912	0.842	0.899	0.534
Compound_802	CCN(c1ccc(cc1)N(=O)=O)CC	0.874	0.395	0.879	0.619	0.114	0.74	0.951	0.91	0.524	0.991	0.832
Compound_803	Cc1ccc(c2c1CCC2)Cl	0.459	0.361	0.663	0.604	0.627	0.238	0.942	0.767	0.807	0.985	0.551
Compound_804	CNc1cccc2c1cccc2	0.956	0.762	0.992	0.602	0.142	0.14	0.648	0.978	0.819	0.998	0.94
Compound_805	CCCCOCC(COCCCC)O	0.823	0.155	0.033	0.564	0.108	0.14	0.638	0.139	0.517	0.902	0.541
Compound_806	CCCCCCCOC(=O)CC	0.871	0.003	0.272	0.763	0.091	0.029	0.996	0.904	0.329	0.998	0.912
Compound_807	CCOC(=O)CNc1ccccc1	0.705	0.319	0.885	0.575	0.328	0.009	0.011	0.07	0.277	0.044	0.352
Compound_808	CCOC(=O)C#Cc1ccccc1	0.518	0.251	0.825	0.647	0.104	0.8	0.995	0.313	0.542	0.677	0.448
Compound_809	Nc1cccc2c1CCCC2	0.533	0.394	0.834	0.5	0.2	0.199	0.975	0.866	0.801	0.984	0.51
Compound_810	Nc1ccc2c(c1)CCCC2	0.811	0.446	0.789	0.533	0.317	0.579	0.995	0.681	0.925	0.998	0.716
Compound_811	C=CCCCc1nc(N)nc(n1)N	0.5	0.316	0.719	0.606	0.197	0.246	0.01	0.897	0.66	0.07	0.337
Compound_812	CCCc1nc(cc(n1)C)N(CCO)CCO	0.087	0.31	0.106	0.376	0.201	0.244	0.001	0.153	0.166	0.027	0.215
Compound_813	C=CCCCCCCCCC(=O)OCCC1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C	0.213	0.633	0.793	0.345	0.61	0.283	0.233	0.456	0.321	0.167	0.345
Compound_814	OCCNS(=O)(=O)c1cccc(c1)N(=O)=O	0.292	0.315	0.045	0.157	0.138	0.562	0.002	0.188	0.15	0.002	0.366
Compound_815	CCC(=O)Nc1cccc(c1)N(CC)CC	0.412	0.422	0.659	0.542	0.037	0.071	0.005	0.731	0.201	0.084	0.11
Compound_816	c1ccc(cc1)Sc1ccc2c(n1)cccc2	0.81	0.529	0.979	0.632	0.888	0.797	0.98	0.962	0.842	0.989	0.899
Compound_817	Brc1ccc2c(c1)CCCN2C(=O)C	0.494	0.463	0.731	0.639	0.553	0.65	0.013	0.406	0.591	0.193	0.204
Compound_818	BrCC#CCBr	0.893	0.177	0.433	0.611	0.121	0.245	0.995	0.973	0.706	1.0	0.877
Compound_819	Oc1ccc(c(c1)C)C(C)(C)C	0.876	0.051	0.785	0.618	0.741	0.639	0.271	0.923	0.784	0.988	0.5
Compound_820	CCc1ccc(c(c1)C)O	0.704	0.129	0.729	0.68	0.261	0.857	0.18	0.95	0.72	0.968	0.597
Compound_821	O=C(c1ccc(cc1)Cl)c1ccc(cc1)C(=O)c1ccc(cc1)Cl	0.932	0.574	0.604	0.649	0.949	0.994	0.997	0.609	0.607	0.924	0.987
Compound_822	Oc1ccc(cc1C)C(CC(C)(C)C)(C)C	0.84	0.068	0.544	0.622	0.5	0.954	0.132	0.401	0.685	0.983	0.308
Compound_823	CN1CCC(CC1)OC(=O)C(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl	0.054	0.49	0.394	0.232	0.104	0.578	0.05	0.637	0.201	0.111	0.224
Compound_824	COC(=O)c1cccc(c1N)C	0.341	0.293	0.935	0.541	0.07	0.278	0.977	0.031	0.77	0.108	0.295
Compound_825	CC(C1CCC2(CC1)OCCO2)(C)C	0.951	0.356	0.17	0.428	0.357	0.431	0.962	0.176	0.419	0.993	0.758
Compound_826	N#CCCN(c1cccc(c1)C)CCN1C(=O)CCC1=O	0.128	0.456	0.164	0.491	0.286	0.073	0.799	0.626	0.522	0.213	0.466
Compound_827	Oc1ccc(cc1)c1ccc(cc1)C(C)C	0.797	0.567	0.767	0.754	0.829	0.968	0.894	0.985	0.668	0.668	0.434
Compound_828	CCOc1ccc2c(c1C(=O)[O-])cccc2	0.417	0.671	0.953	0.477	0.38	0.613	0.847	0.86	0.484	0.919	0.982
Compound_829	CC(CCCc1ccncc1)C	0.529	0.229	0.709	0.489	0.028	0.331	0.002	0.06	0.417	0.067	0.077
Compound_830	O=C1NC(C(=O)O1)C	0.034	0.175	0.365	0.35	0.045	0.004	0.007	0.711	0.227	0.143	0.167
Compound_831	Cc1ccc(cc1)S(=O)(=O)SCCSS(=O)(=O)c1ccc(cc1)C	0.729	0.587	0.797	0.578	0.698	0.711	0.959	0.205	0.427	0.988	0.419
Compound_832	c1ccc(cc1)C1Cc2c(C1)cccc2	0.44	0.659	0.858	0.501	0.368	0.442	0.749	0.804	0.457	0.996	0.963
Compound_833	CN1CCC(CC1)Nc1ccccc1	0.253	0.366	0.117	0.085	0.055	0.118	0.0	0.096	0.595	0.04	0.023
Compound_834	BrCC(C(=O)OC)CBr	0.769	0.06	0.16	0.588	0.139	0.043	0.991	0.989	0.55	0.967	0.942
Compound_835	O=C1OCC(=C1)Nc1ccccc1	0.439	0.465	0.951	0.724	0.529	0.321	0.743	0.989	0.902	0.269	0.493
Compound_836	O=C1NC(=O)NC(=O)C1c1ccccc1	0.102	0.372	0.327	0.245	0.034	0.139	0.013	0.024	0.188	0.007	0.318
Compound_837	BrCC(=O)c1cccc(c1)N(=O)=O	0.968	0.23	0.849	0.768	0.745	0.592	0.995	0.992	0.545	0.954	0.758
Compound_838	O=N(=O)c1cnc(c(c1)C)Cl	0.476	0.283	0.886	0.671	0.145	0.085	0.416	0.575	0.845	0.971	0.852
Compound_839	CN(c1ccc(cc1)NC(=S)N)C	0.737	0.263	0.897	0.465	0.067	0.82	0.508	0.849	0.99	0.915	0.333
Compound_840	CCOC(=O)C(=C)c1ccccc1	0.852	0.478	0.744	0.657	0.098	0.187	0.999	0.807	0.689	0.986	0.845
Compound_841	COC(=O)c1sccc1N	0.218	0.44	0.424	0.442	0.238	0.555	0.976	0.223	0.714	0.278	0.522
Compound_842	CC(=O)Nc1cccc2c1cccc2O	0.658	0.819	0.841	0.564	0.46	0.332	0.918	0.956	0.759	0.88	0.797
Compound_843	O=C(c1ccccc1C)OOC(C)(C)C	0.848	0.186	0.473	0.545	0.065	0.105	0.797	0.13	0.521	0.876	0.472
Compound_844	NNC(=S)NN	0.534	0.111	0.871	0.356	0.487	0.169	0.032	0.537	0.968	0.914	0.303
Compound_845	CCOC(=O)CC(=O)N(c1cc(Cl)ccc1N(=O)=O)c1ccccc1	0.756	0.575	0.858	0.532	0.804	0.466	0.993	0.959	0.419	0.988	0.5
Compound_846	CC(=C1C(=O)OC(OC1=O)(C)C)C	0.84	0.455	0.402	0.541	0.237	0.114	0.774	0.983	0.91	0.967	0.805
Compound_847	Cc1cc(C)[nH]c(=S)n1	0.267	0.314	0.547	0.456	0.145	0.121	0.678	0.091	0.964	0.259	0.669
Compound_848	COc1ccc2c3c1c(OC)ccc3c(=O)n(c2=O)C	0.612	0.856	0.91	0.614	0.215	0.911	0.454	0.051	0.666	0.094	0.331
Compound_849	CCOc1ccc2c3c1c(OCC)ccc3c(=O)n(c2=O)C	0.679	0.85	0.923	0.621	0.438	0.945	0.85	0.721	0.58	0.177	0.565
Compound_850	O=Cc1cc(C)c(c(c1)C)O	0.669	0.173	0.236	0.546	0.209	0.939	0.293	0.335	0.942	0.576	0.278
Compound_851	Clc1ccc(c(c1)N)OS(=O)(=O)O	0.563	0.449	0.693	0.397	0.363	0.356	0.803	0.473	0.62	0.32	0.557
Compound_852	Cc1c(C)ccnc1C	0.138	0.261	0.605	0.474	0.024	0.24	0.002	0.35	0.687	0.684	0.258
Compound_853	Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl	0.959	0.446	0.96	0.606	0.797	0.708	0.996	0.933	0.968	1.0	0.967
Compound_854	CC(c1cc(cc(c1C(=O)C)C(C)C)C(C)C)C	0.596	0.066	0.654	0.517	0.024	0.089	0.26	0.119	0.871	0.983	0.625
Compound_855	CNc1ccc2c(c1)cc(cc2O)S(=O)(=O)O	0.72	0.289	0.993	0.574	0.787	0.648	0.271	0.821	0.467	0.784	0.83
Compound_856	OCc1ccn(=O)cc1	0.21	0.216	0.584	0.481	0.021	0.096	0.035	0.438	0.678	0.02	0.723
Compound_857	CCCCCC(=O)CC(=O)OC	0.894	0.025	0.345	0.562	0.095	0.058	0.996	0.952	0.435	0.878	0.863
Compound_858	CCCCCCCC(=O)CC(=O)OC	0.904	0.025	0.345	0.562	0.095	0.058	0.996	0.952	0.468	0.878	0.863
Compound_859	CCCCCCCCCCCC(=O)CC(=O)OC	0.904	0.025	0.345	0.562	0.095	0.058	0.996	0.952	0.461	0.878	0.863
Compound_860	CCCCCCCCCCCCCCCCCCCC1CCCCC1	0.993	0.099	0.294	0.561	0.179	0.188	0.999	0.905	1.012	1.0	0.5
Compound_861	CCCP(CCC)CCC	0.641	0.255	0.273	0.543	0.841	0.404	0.981	0.725	0.886	1.0	0.889
Compound_862	COC(c1ccccc1)(c1ccccc1)OC	0.73	0.608	0.642	0.543	0.226	0.741	0.838	0.226	0.803	0.761	0.807
Compound_863	C=C/C=C/C=C	0.921	0.104	0.759	0.655	0.205	0.016	0.996	0.996	0.935	0.999	0.864
Compound_864	O=C1CCC=C1C1CCCC1	0.994	0.4	0.402	0.616	0.4	0.064	0.926	0.941	0.511	0.998	0.972
Compound_865	Cc1ccc(c(c1)O)S(=O)(=O)O	0.41	0.377	0.81	0.336	0.666	0.437	0.221	0.215	0.131	0.807	0.062
Compound_866	CNC(=O)C[NH3+]	0.037	0.059	0.376	0.263	0.008	0.001	0.0	0.195	0.572	0.022	0.452
Compound_867	Clc1cc(ccc1C)NC(=O)c1snnc1C	0.695	0.573	0.82	0.863	0.589	0.791	0.983	0.825	0.814	0.653	0.395
Compound_868	CC(=O)CCCc1ccccc1	0.834	0.103	0.409	0.521	0.023	0.036	0.939	0.343	0.559	0.831	0.367
Compound_869	CC(c1cc2c(cc1C(=O)C)CCCC2(C)C)C	0.891	0.443	0.423	0.558	0.118	0.455	0.323	0.435	0.889	0.979	0.729
Compound_870	CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2OC(=O)CC)OC(=O)CC)C	0.946	0.728	0.04	0.499	0.988	0.887	0.588	0.722	0.164	0.971	0.956
Compound_871	N#CCc1ccccc1C	0.821	0.238	0.838	0.569	0.28	0.037	0.972	0.916	0.792	0.505	0.769
Compound_872	Nc1nc(=O)c2c([nH]1)nccn2	0.105	0.548	0.547	0.429	0.178	0.082	0.0	0.009	0.646	0.056	0.34
Compound_873	COc1cc(C)c(c(c1OC)OC)C=O	0.485	0.186	0.502	0.616	0.336	0.366	0.879	0.021	0.848	0.37	0.507
Compound_874	CCC1(CC)C(=O)NC(=O)N(C1=O)C1CCCCC1	0.18	0.474	0.083	0.252	0.059	0.158	0.0	0.072	0.357	0.028	0.251
Compound_875	N#CCCOCCN(C)C	0.214	0.123	0.003	0.142	0.088	0.018	0.008	0.198	0.41	0.12	0.675
Compound_876	N#CCCOCCOCCOCCC#N	0.855	0.2	0.119	0.537	0.395	0.228	0.972	0.697	0.657	0.876	0.872
Compound_877	CCCC1CCNCC1	0.085	0.102	0.031	0.302	0.007	0.02	0.0	0.073	0.59	0.333	0.012
Compound_878	COC=C(C(=O)OC)C(=O)OC	0.981	0.074	0.47	0.538	0.28	0.122	0.945	0.977	0.899	0.972	0.981
Compound_879	CC(OC(=O)Nc1ccc(cc1)Cl)C	0.88	0.452	0.968	0.817	0.424	0.451	0.988	0.531	0.521	0.518	0.223
Compound_880	Nc1c(Br)cnc(=O)[nH]1	0.16	0.314	0.174	0.46	0.189	0.028	0.007	0.072	0.779	0.023	0.177
Compound_881	OC(=O)c1cc(C(=O)O)c(cc1S(=O)(=O)O)S(=O)(=O)O	0.355	0.299	0.872	0.369	0.58	0.662	0.252	0.39	0.393	0.402	0.034
Compound_882	CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_883	CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_884	CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_885	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_886	CCCCCCCCC(=C)C=O	0.986	0.082	0.625	0.6	0.138	0.145	0.995	0.99	0.893	1.0	0.985
Compound_887	Cc1cc2C=CCc2cc1C	0.851	0.289	0.965	0.681	0.113	0.02	0.967	0.913	1.0	0.992	0.71
Compound_888	Cc1cc(C)c2c(c1)CC=C2	0.781	0.316	0.972	0.717	0.113	0.02	0.967	0.926	1.001	0.992	0.706
Compound_889	CCCCCCCCC#N	0.997	0.134	0.18	0.568	0.416	0.118	0.958	0.99	0.875	0.993	0.845
Compound_890	CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_891	CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.113	0.999	0.649	0.328	0.998	0.912
Compound_892	Cc1c(C)c(C(=O)O)c(c(c1C)C)C	0.352	0.075	0.093	0.236	0.057	0.066	0.767	0.12	0.825	0.446	0.143
Compound_893	OC(=O)c1ccccc1Oc1ccccc1	0.458	0.736	0.625	0.37	0.446	0.162	0.957	0.13	0.668	0.452	0.584
Compound_894	N#CCCCOc1ccccc1	0.801	0.191	0.457	0.663	0.487	0.249	0.968	0.966	0.681	0.192	0.854
Compound_895	ClCCOCCOc1ccccc1	0.395	0.123	0.852	0.668	0.438	0.189	0.965	0.487	0.934	0.991	0.902
Compound_896	O=C=Nc1ccc2c(c1)cccc2	0.923	0.867	0.98	0.693	0.437	0.696	0.997	0.992	0.901	0.997	0.977
Compound_897	Nc1ccc(c2c1cccc2)N	0.971	0.81	0.99	0.719	0.168	0.617	0.988	0.995	0.905	0.997	0.993
Compound_898	O=C(c1cccc(c1)N(=O)=O)c1ccccc1	0.985	0.639	0.772	0.605	0.402	0.631	0.99	0.835	0.615	0.993	0.924
Compound_899	CCCCCCCCCCSC	0.899	0.064	0.286	0.598	0.298	0.091	0.998	0.957	0.614	0.999	0.865
Compound_900	Cc1ccc2c(c1)c(C)cc(n2)C	0.661	0.626	0.953	0.512	0.553	0.445	0.886	0.887	0.642	0.969	0.877
Compound_901	Cc1cc(C)c2c(c1)ccc(n2)C	0.759	0.626	0.984	0.535	0.574	0.543	0.844	0.973	0.995	0.969	0.877
Compound_902	CCCCCCCCCC#C	0.996	0.125	0.309	0.5	0.157	0.266	0.996	0.989	0.925	1.0	0.721
Compound_903	CCCCCCCCCCC#N	0.997	0.134	0.18	0.568	0.416	0.118	0.958	0.99	0.875	0.993	0.845
Compound_904	CN(c1cccc(c1)N(C)C)C	0.937	0.402	0.923	0.533	0.164	0.221	0.714	0.908	0.852	0.903	0.285
Compound_905	Clc1c(SSc2c(Cl)c(Cl)c(c(c2Cl)Cl)Cl)c(Cl)c(c(c1Cl)Cl)Cl	0.894	0.456	0.899	0.62	0.708	0.701	0.999	0.747	0.822	1.0	0.793
Compound_906	c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1	0.988	0.649	0.974	0.697	0.937	0.898	0.998	0.968	0.95	1.0	0.952
Compound_907	N#Cc1cc(C)cc(c1)C	0.873	0.186	0.84	0.602	0.293	0.045	0.942	0.483	0.82	0.935	0.647
Compound_908	COC(=O)Cc1ccccc1O	0.174	0.142	0.637	0.632	0.228	0.098	0.728	0.656	0.466	0.04	0.049
Compound_909	NC(=O)Cc1ccccc1O	0.05	0.262	0.14	0.345	0.047	0.293	0.64	0.01	0.432	0.001	0.02
Compound_910	Cc1cc2c(cc1C)cccc2C	0.943	0.41	0.932	0.648	0.109	0.095	0.968	0.996	0.966	0.999	0.935
Compound_911	OC(=O)COc1ccc(cc1)OCC(=O)O	0.383	0.114	0.147	0.288	0.342	0.133	0.604	0.058	0.166	0.198	0.339
Compound_912	COc1ccc2c(c1N)cccc2	0.735	0.791	0.996	0.658	0.244	0.148	0.995	0.938	0.609	0.996	0.982
Compound_913	OC[C@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(OC(CNC(=O)CC[C@@]1(C)/C/2=C(\C)/C3=NC(=CC4=N/C(=C(\C5=N[C@](C(C1CC(=O)N)[N-2]2)(C)[C@@](C)(CC(=O)N)[C@@H]5CCC(=O)N)/C)/[C@@]([C@@H]4CCC(=O)N)(C)CC(=O)N)C(C3CCC(=O)N)(C)C)C)[O-])O)n1cnc2c1cc(C)c(c2)C	0.654	0.699	0.996	0.658	0.905	0.683	0.044	0.938	0.95	0.149	0.484
Compound_914	COC(=O)c1cc(O)ccc1C(=O)OC	0.889	0.12	0.9	0.583	0.834	0.405	0.991	0.074	0.716	0.146	0.209
Compound_915	COc1c(ccc(c1OC)OC)CC(=O)[O-]	0.117	0.214	0.405	0.36	0.366	0.074	0.853	0.031	0.523	0.289	0.747
Compound_916	N#[N+]c1ccc(cc1)N1CCOCC1	0.694	0.46	0.884	0.567	0.14	0.58	0.066	0.773	0.536	0.065	0.411
Compound_917	CCOC(=O)OC(=O)c1cccc(c1)C(=O)OC(=O)OCC	0.733	0.146	0.958	0.646	0.059	0.386	0.983	0.036	0.585	0.384	0.313
Compound_918	Cc1cc(C)c2c(c1)C=CC2	0.76	0.354	0.968	0.684	0.113	0.02	0.967	0.885	1.001	0.991	0.672
Compound_919	Cc1ccc(c(c1)O)[C@@H]1C[C@@H]2C([C@@]1(C)CC2)(C)C	0.782	0.75	0.335	0.589	0.748	0.715	0.029	0.784	0.119	0.994	0.9
Compound_920	Clc1ccc(cc1)c1ccc(cc1)COC(C(=O)O)(C)C	0.415	0.5	0.296	0.372	0.676	0.625	0.401	0.075	0.413	0.023	0.696
Compound_921	CC(COC(C(=O)c1ccccc1)c1ccccc1)C	0.192	0.563	0.441	0.513	0.079	0.81	0.929	0.247	0.314	0.432	0.797
Compound_922	CCC(=O)OC1CCCC1	0.799	0.217	0.115	0.576	0.105	0.052	0.996	0.51	0.169	0.997	0.631
Compound_923	CNS(=O)(=O)NC	0.439	0.112	0.241	0.303	0.212	0.05	0.005	0.846	0.246	0.581	0.562
Compound_924	OCCCC(=C)C	0.716	0.143	0.271	0.514	0.036	0.004	0.736	0.728	0.087	0.154	0.83
Compound_925	CCOC(=O)N1C(=O)c2c(C1=O)cccc2	0.529	0.542	0.656	0.587	0.033	0.314	0.916	0.177	0.304	0.271	0.406
Compound_926	C1NC(=S)N=N1	0.358	0.334	0.535	0.456	0.102	0.267	0.001	0.538	0.967	0.129	0.65
Compound_927	COc1ccc(cc1)CCOC(=O)C	0.479	0.182	0.71	0.701	0.361	0.423	0.971	0.059	0.793	0.069	0.237
Compound_928	Clc1cc(Cl)c(cc1Oc1ccc(cc1)N(=O)=O)Cl	0.993	0.806	0.971	0.743	0.692	0.647	0.98	0.999	0.456	0.999	0.988
Compound_929	Nc1nc(CCC2OCC3(CO2)COC(OC3)CCc2nc(N)nc(n2)N)nc(n1)N	0.467	0.637	0.612	0.485	0.274	0.575	0.039	0.304	0.757	0.243	0.88
Compound_930	CCOC(=O)C(C(=O)OCC)CC=C(C)C	0.831	0.113	0.628	0.775	0.272	0.023	0.956	0.992	0.32	0.998	0.989
Compound_931	CN(C(=O)C(C(=O)C)(Cl)Cl)C	0.658	0.111	0.35	0.65	0.239	0.551	0.963	0.981	0.404	0.753	0.853
Compound_932	Clc1ccc(c(c1)N(=O)=O)Oc1ccccc1Cl	0.922	0.759	0.868	0.728	0.691	0.654	0.974	0.988	0.631	0.999	0.981
Compound_933	Clc1ccc(cc1)Oc1ccc(cc1Cl)N(=O)=O	0.99	0.806	0.938	0.767	0.752	0.803	0.972	0.988	0.559	0.999	0.988
Compound_934	OCCc1ccc(cc1)OCC	0.177	0.14	0.931	0.589	0.322	0.671	0.816	0.745	0.072	0.157	0.218
Compound_935	ClCCN(c1cccc(c1)C)CC	0.684	0.53	0.936	0.588	0.594	0.116	0.677	0.969	0.881	0.694	0.706
Compound_936	C=Cc1ccccc1CCl	0.961	0.273	0.771	0.702	0.33	0.233	0.996	0.981	0.975	0.995	0.757
Compound_937	ClC(=C(C(=O)[O-])Cl)Cl	0.902	0.233	0.382	0.45	0.372	0.154	0.999	0.998	0.751	0.997	0.975
Compound_938	O=C(c1ccc(cc1)C(=O)NCC(=O)O)NCC(=O)O	0.078	0.159	0.12	0.157	0.013	0.077	0.01	0.07	0.102	0.009	0.054
Compound_939	CCCC(=O)c1c[nH]c2c1cccc2	0.314	0.537	0.876	0.509	0.205	0.593	0.014	0.825	0.669	0.228	0.773
Compound_940	CCC(=O)c1c[nH]c2c1cccc2	0.279	0.523	0.876	0.489	0.205	0.593	0.014	0.834	0.189	0.202	0.895
Compound_941	c1ccc2c(c1)Sc1c(N2)c2ccccc2cc1	0.589	0.653	0.831	0.551	0.884	0.442	0.973	0.209	0.721	0.978	0.635
Compound_942	C=CCCCCCCCCCSC(=N)N	0.422	0.133	0.161	0.611	0.448	0.3	0.642	0.976	0.38	0.839	0.493
Compound_943	OCCN(c1cc(ccc1OC)NC(=O)C)CCC#N	0.403	0.348	0.011	0.441	0.194	0.18	0.001	0.462	0.482	0.0	0.194
Compound_944	ClC(C(=O)C(C)(C)C)Cl	0.962	0.081	0.435	0.598	0.428	0.684	0.957	0.996	0.332	0.997	0.949
Compound_945	CCC#CCCl	0.931	0.194	0.287	0.634	0.155	0.585	0.999	0.971	0.884	1.0	0.816
Compound_946	Clc1cc2NC(NS(=O)(=O)c2cc1S(=O)(=O)N)C1CC2CC1C=C2	0.053	0.359	0.011	0.074	0.176	0.223	0.001	0.321	0.349	0.007	0.087
Compound_947	N#Cc1cc(cc(c1N)N(=O)=O)N(=O)=O	0.975	0.227	0.945	0.611	0.741	0.228	0.858	0.982	0.711	0.996	0.893
Compound_948	CC1=CC(=NNc2ccc(cc2N(=O)=O)Cl)C(=O)C(=C1)C(C)(C)C	0.832	0.607	0.948	0.731	0.734	0.548	0.672	0.997	0.539	0.934	0.93
Compound_949	CC(=O)Oc1cccc(c1C)C	0.31	0.15	0.696	0.606	0.254	0.003	0.578	0.793	0.836	0.922	0.257
Compound_950	CC(=O)Oc1ccc(c(c1)C)C	0.583	0.15	0.743	0.687	0.5	0.027	0.86	0.434	0.718	0.922	0.257
Compound_951	Cc1cccc(c1)C1=CCCCC1	0.91	0.46	0.73	0.599	0.092	0.34	0.705	0.92	0.84	0.997	0.706
Compound_952	Cc1ccccc1C1=CCCCC1	0.873	0.43	0.599	0.634	0.117	0.081	0.47	0.891	0.762	0.992	0.854
Compound_953	COC(=O)c1cc(ccc1I)OC(=O)C	0.662	0.178	0.847	0.63	0.423	0.149	0.931	0.038	0.397	0.518	0.464
Compound_954	CCOC1=CC(=O)CC1	0.67	0.374	0.399	0.534	0.259	0.08	0.994	0.642	0.238	0.999	0.962
Compound_955	CCCCc1ccc(nc1)C(=O)N	0.239	0.237	0.089	0.346	0.02	0.172	0.002	0.062	0.076	0.196	0.07
Compound_956	COC(=O)c1cc(cc(c1O)N(=O)=O)N(=O)=O	0.748	0.185	0.546	0.577	0.768	0.771	0.325	0.743	0.53	0.862	0.815
Compound_957	O=C(C1CCCCC1)OC(=O)C1CCCCC1	0.708	0.286	0.206	0.489	0.16	0.073	0.91	0.976	0.436	0.867	0.594
Compound_958	NC(=O)NS(=O)(=O)c1ccc(cc1)Cl	0.144	0.171	0.001	0.107	0.249	0.607	0.109	0.003	0.271	0.008	0.165
Compound_959	O=C(c1ccccc1)c1ccc(cc1)C(C)(C)C	0.968	0.544	0.673	0.56	0.275	0.844	0.595	0.485	0.844	0.988	0.933
Compound_960	CC(COC(=O)CCSCCC(=O)OCC(C)C)C	0.311	0.001	0.066	0.649	0.378	0.056	0.982	0.716	0.376	0.988	0.891
Compound_961	OC(=O)CCCCc1ccccc1	0.422	0.06	0.313	0.16	0.082	0.031	0.994	0.013	0.149	0.016	0.007
Compound_962	CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC	0.848	0.003	0.251	0.736	0.105	0.106	0.998	0.649	0.428	0.998	0.912
Compound_963	CCCCCOC(=O)c1ccccc1OC	0.392	0.325	0.721	0.642	0.106	0.039	0.419	0.3	0.679	0.568	0.676
Compound_964	Clc1ccc(cc1)C(=O)C(=O)c1ccccc1	0.667	0.545	0.703	0.621	0.646	0.927	0.952	0.628	0.339	0.887	0.986
Compound_965	O=C(N1CC1)NCCCCCCNC(=O)N1CC1	0.095	0.186	0.068	0.218	0.886	0.756	0.001	0.113	0.713	0.021	0.421
Compound_966	CC(=O)c1cc2c(s1)cccc2	0.766	0.754	0.995	0.516	0.282	0.369	0.952	0.93	0.657	0.988	0.204
Compound_967	Brc1cccc(c1)C(=O)N	0.868	0.201	0.232	0.336	0.514	0.244	0.944	0.008	0.493	0.567	0.121
Compound_968	N#CCC1=CCCC1	0.972	0.368	0.746	0.578	0.521	0.055	0.981	0.975	0.761	0.959	0.975
Compound_969	O=C(C1CCCCC1)OCCOC(=O)C1CCCCC1	0.893	0.315	0.21	0.633	0.288	0.22	0.97	0.851	0.572	0.992	0.822
Compound_970	OCCOCCOC(=O)C1CCCCC1	0.798	0.121	0.065	0.613	0.128	0.136	0.259	0.492	0.286	0.624	0.16
Compound_971	N#CCS(=O)(=O)C	0.828	0.189	0.135	0.511	0.07	0.061	0.772	0.979	0.561	0.75	0.574
Compound_972	Clc1ccc(c(c1)Cl)C(=O)C(Cl)Cl	0.987	0.081	0.401	0.627	0.907	0.872	0.995	0.998	0.865	0.999	0.868
Compound_973	Cc1ccc2c(c1)n(C(C)C)c(=O)nc2c1ccccc1	0.335	0.672	0.963	0.762	0.5	0.72	0.825	0.96	0.832	0.139	0.096
Compound_974	COc1c(Cl)cc(cc1C(=O)O)Cl	0.39	0.178	0.233	0.473	0.345	0.25	0.525	0.087	0.549	0.64	0.245
Compound_975	CCOC(=O)c1cc(OC)ccc1O	0.547	0.232	0.936	0.732	0.402	0.126	0.072	0.086	0.137	0.172	0.272
Compound_976	CC(=O)OON(=O)=O	0.735	0.11	0.299	0.492	0.052	0.085	0.407	0.962	0.935	0.978	0.221
Compound_977	CC(=O)OCCOCCOCCOCCOC(=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_978	CC(=O)OCCOCCOCCOCCOCCOC(=O)C	0.801	0.011	0.24	0.636	0.205	0.116	0.912	0.166	0.92	0.991	0.881
Compound_979	CC1=C(C)SCCS1	0.393	0.383	0.257	0.479	0.316	0.048	0.995	0.235	0.81	0.807	0.315
Compound_980	ClC(c1ccncc1)(Cl)Cl	0.384	0.225	0.672	0.675	0.049	0.383	0.034	0.455	0.285	0.962	0.282
Compound_981	Cc1cc(Br)c(c(c1C)Br)O	0.932	0.116	0.698	0.654	0.681	0.669	0.984	0.972	0.448	0.983	0.792
Compound_982	COC(=O)c1cc(N)ccc1OC	0.26	0.295	0.969	0.602	0.177	0.315	0.139	0.096	0.439	0.046	0.198
Compound_983	COC(=O)c1ccc(cc1)S(=O)(=O)N	0.151	0.32	0.014	0.186	0.135	0.18	0.047	0.0	0.247	0.008	0.112
Compound_984	BrCCCCCC(=O)Cl	0.924	0.068	0.291	0.683	0.196	0.193	0.999	0.998	0.354	1.0	0.99
Compound_985	CCCCCCCCCCCCCCCCOC(=O)CS	0.885	0.051	0.06	0.709	0.267	0.573	1.0	0.465	0.83	0.983	0.872
Compound_986	CCCSCCO	0.401	0.082	0.129	0.523	0.141	0.048	0.963	0.395	0.228	0.974	0.676
Compound_987	COC(=O)Cn1ccnc1N(=O)=O	0.493	0.359	0.49	0.514	0.301	0.058	0.008	0.297	0.364	0.44	0.618
Compound_988	ClCCCC(=O)N(C)C	0.424	0.105	0.186	0.647	0.057	0.065	0.881	0.99	0.149	0.35	0.861
Compound_989	Clc1cc(cc(c1)Cl)S(=O)(=O)C	0.907	0.449	0.783	0.66	0.641	0.638	0.986	0.505	0.444	0.984	0.177
Compound_990	COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](C(=O)O)N	0.093	0.292	0.004	0.227	0.019	0.008	0.008	0.013	0.36	0.009	0.045
Compound_991	COc1ccc(cc1)N=C=S	0.784	0.313	0.888	0.699	0.285	0.92	0.98	0.049	0.895	0.987	0.721
Compound_992	CC(=CC(=O)OC(C)(C)C)C	0.888	0.067	0.364	0.677	0.5	0.042	0.767	1.0	0.952	0.998	0.97
Compound_993	Oc1ccc(c(c1)O)Cc1ccccc1	0.905	0.653	0.831	0.656	0.867	0.931	0.98	0.948	0.667	0.649	0.23
Compound_994	O=C(OCCOc1ccccc1)OCCOc1ccccc1	0.333	0.54	0.833	0.688	0.82	0.807	0.994	0.741	0.842	0.969	0.257
Compound_995	Nc1ccc(c(c1)C)CCc1ccc(cc1C)N	0.781	0.592	0.936	0.52	0.469	0.734	0.987	0.889	0.697	0.831	0.792
Compound_996	Cc1ccc(cc1)Sc1ccc(cc1)N(=O)=O	0.812	0.428	0.923	0.651	0.738	0.527	0.993	0.906	0.377	1.0	0.926
Compound_997	OCCNC(=O)c1cc(N)cc(c1)C(=O)O	0.047	0.364	0.12	0.203	0.008	0.112	0.003	0.033	0.373	0.002	0.191
Compound_998	ClCCOCCOc1ccccc1OC	0.226	0.174	0.852	0.613	0.32	0.123	0.912	0.225	0.685	0.956	0.879
Compound_999	CC(=O)Nc1cccc2c1/C(=N/Nc1cc(ccc1O)N(=O)=O)/C(=O)C=C2	0.695	0.683	0.847	0.571	0.767	0.778	0.799	0.935	0.541	0.99	0.935
Compound_1000	CCOCC(=O)OCC=C	0.932	0.156	0.719	0.675	0.264	0.126	0.999	0.998	0.353	0.999	0.883