Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCC(CCCC(C)(C)C)C	0.99	0.108	0.294	0.461	0.172	0.054	0.984	0.821	0.847	1.0	0.827
Compound_2	COC(C(O)C)C	0.548	0.15	0.038	0.396	0.063	0.057	0.877	0.084	0.446	0.355	0.816
Compound_3	CC(C#CC(C)(C)C)(C)C	0.882	0.112	0.451	0.507	0.111	0.758	0.95	0.814	0.843	0.999	0.644
Compound_4	CCCCCCCCC=CCC	0.998	0.053	0.23	0.608	0.408	0.032	0.996	0.913	1.013	1.0	0.845
Compound_5	C[C@H]1CCC2=C(C)CC[C@H](C[C@@H]12)C(O)(C)C	0.96	0.504	0.331	0.461	0.382	0.058	0.366	0.478	0.265	0.911	0.651
Compound_6	CN(CCOc1ccc(cc1)CC(=O)C)C	0.072	0.322	0.017	0.456	0.088	0.457	0.006	0.085	0.313	0.001	0.012
Compound_7	O=C1CCC23C1(C)C=CC2C3(C)C	0.989	0.565	0.161	0.582	0.75	0.105	0.289	0.652	0.337	0.992	0.711
Compound_8	C1CC2CC3c4c2c(C1)ccc4CCC3	0.722	0.377	0.291	0.514	0.555	0.782	0.814	0.741	0.924	1.0	0.806
Compound_9	Cc1cc(C)c2c3c1ccc1c3c(cc2)ccc1	0.9	0.549	0.977	0.636	0.813	0.695	0.996	0.989	0.95	0.998	0.918
Compound_10	Cc1ccc(c2c1c(C)ccc2C)C	0.913	0.55	0.93	0.561	0.144	0.136	0.914	0.97	0.98	0.999	0.909
Compound_11	CCC(C(C=Cc1ccccc1)CC)C=Cc1ccccc1	0.909	0.576	0.417	0.718	0.249	0.292	0.999	0.607	0.908	0.998	0.894
Compound_12	Cc1ccc2c(c1)sc1c2c(C)ccc1	0.86	0.695	0.969	0.584	0.444	0.463	0.988	0.976	0.776	0.994	0.107
Compound_13	C=Cc1ccccc1C1OC=Cc2c1cccc2	0.517	0.652	0.623	0.566	0.384	0.731	0.954	0.93	0.677	0.974	0.843
Compound_14	CC(CCc1c(C)ccc(c1C)C)C	0.601	0.171	0.904	0.538	0.058	0.028	0.6	0.592	0.466	0.96	0.239
Compound_15	Cc1cc2c(cc1C)ccc1c2c(C)ccc1	0.95	0.41	0.949	0.641	0.683	0.756	0.992	0.996	0.794	0.999	0.935
Compound_16	Cc1cc2c(cc1C)Cc1c2cccc1	0.907	0.547	0.961	0.759	0.202	0.385	0.897	0.978	0.832	0.995	0.945
Compound_17	Cc1ccc2c(c1)c1cc(C)ccc1s2	0.853	0.695	0.965	0.587	0.554	0.375	0.986	0.963	0.963	0.994	0.107
Compound_18	CCc1cc(ccc1CC)c1ccccc1	0.85	0.454	0.944	0.718	0.206	0.219	0.976	0.899	0.754	0.994	0.879
Compound_19	Cc1cc(cc(c1)C)c1cc(C)cc(c1)C	0.915	0.518	0.942	0.642	0.15	0.31	0.977	0.888	0.885	0.995	0.76
Compound_20	CCC#CCCCCC#CCC	0.786	0.157	0.309	0.523	0.119	0.821	0.987	0.974	0.758	1.0	0.716
Compound_21	CCc1ccc2c(c1)c1ccccc1s2	0.76	0.698	0.831	0.64	0.554	0.375	0.986	0.795	0.932	0.998	0.157
Compound_22	Cc1cc2ccccc2c2c1ccs2	0.822	0.697	0.929	0.568	0.429	0.546	0.992	0.968	0.966	0.998	0.076
Compound_23	C1Cc2cc3ccccc3c3c2c(C1)ccc3	0.705	0.647	0.816	0.608	0.798	0.642	0.999	0.933	0.925	0.999	0.914
Compound_24	CCCc1c2ccccc2cc2c1cccc2	0.803	0.578	0.664	0.642	0.683	0.756	0.992	0.762	0.918	0.998	0.878
Compound_25	Cc1ccc2c(c1)Cc1c(C2)cccc1	0.795	0.475	0.909	0.552	0.337	0.378	0.988	0.936	0.982	1.0	0.96
Compound_26	CC1c2ccccc2C(c2c1cccc2)C	0.666	0.465	0.759	0.516	0.567	0.616	0.989	0.557	0.709	0.998	0.954
Compound_27	CC1c2ccccc2C(c2c1cccc2)(C)C	0.653	0.484	0.779	0.539	0.69	0.74	0.984	0.467	0.689	0.999	0.942
Compound_28	C=CCc1c2ccccc2cc2c1cccc2	0.911	0.625	0.936	0.677	0.666	0.752	0.999	0.995	0.611	0.999	0.9
Compound_29	CCC1c2ccccc2C(c2c1cccc2)C	0.553	0.49	0.55	0.497	0.567	0.616	0.989	0.674	0.638	0.999	0.964
Compound_30	CC(c1ccccc1)CC(C)C	0.698	0.101	0.898	0.516	0.08	0.045	0.861	0.346	0.547	0.995	0.154
Compound_31	CCCCCCC(c1ccccc1)CCCC	0.9	0.104	0.384	0.514	0.122	0.082	0.982	0.944	0.897	1.0	0.515
Compound_32	CCCCCC(c1ccccc1)CCCC	0.905	0.104	0.384	0.514	0.122	0.082	0.982	0.944	0.826	1.0	0.515
Compound_33	CCCCCCCCC(c1ccccc1)CCCC	0.9	0.104	0.384	0.514	0.116	0.253	0.989	0.944	0.945	1.0	0.515
Compound_34	CCCCCCCC(c1ccccc1)CC	0.9	0.104	0.248	0.514	0.122	0.082	0.982	0.944	0.906	1.0	0.515
Compound_35	CCCCCCCCCC(c1ccccc1)C	0.9	0.104	0.384	0.514	0.122	0.082	0.982	0.946	0.83	1.0	0.515
Compound_36	CCCCCCCCCCC(c1ccccc1)C	0.9	0.104	0.384	0.514	0.122	0.082	0.982	0.946	0.83	1.0	0.515
Compound_37	CCCC(c1ccccc1)CCCCCC	0.9	0.104	0.384	0.514	0.122	0.082	0.982	0.944	0.84	1.0	0.515
Compound_38	CSC=C(c1ccccc1)c1ccccc1	0.913	0.705	0.751	0.529	0.319	0.488	0.995	0.171	0.823	0.988	0.949
Compound_39	Cc1ccc(cc1C)Cc1ccccc1	0.875	0.398	0.876	0.549	0.173	0.147	0.857	0.935	0.837	0.989	0.812
Compound_40	CC(CCCC(c1ccc(cc1)C)C)C	0.858	0.118	0.762	0.512	0.077	0.06	0.753	0.567	0.416	0.964	0.167
Compound_41	C=CCOCc1ccc(cc1)C	0.638	0.247	0.859	0.664	0.035	0.152	0.992	0.871	0.354	0.998	0.534
Compound_42	ClCCCOP(=O)(OC(CCl)C)OCCCCl	0.856	0.388	0.36	0.687	0.188	0.103	0.998	0.996	0.218	0.979	0.742
Compound_43	Cc1ccc(c2c1c1ccccc1[nH]2)C	0.599	0.67	0.98	0.517	0.704	0.687	0.993	0.905	0.939	0.902	0.915
Compound_44	Cc1cc2c(cc1C)[nH]c1c2c(C)ccc1	0.705	0.575	0.982	0.505	0.766	0.698	0.998	0.959	0.759	0.976	0.926
Compound_45	CCCCOC(=O)Oc1ccccc1	0.809	0.193	0.585	0.727	0.24	0.11	0.944	0.625	0.768	0.378	0.294
Compound_46	CC(c1ccc(cc1)C1CC1c1ccco1)C	0.141	0.44	0.178	0.476	0.066	0.318	0.989	0.594	0.444	0.978	0.768
Compound_47	c1ccc2c(c1)c1ccccc1CCCC2	0.808	0.543	0.703	0.726	0.317	0.232	0.994	0.929	0.873	1.0	0.904
Compound_48	Cc1c(C)c(C)c(c2c1cccc2)C	0.914	0.41	0.964	0.594	0.144	0.136	0.914	0.974	0.989	0.999	0.935
Compound_49	CC=Cc1c(C)c(C)c(c2c1cccc2)C	0.943	0.444	0.952	0.686	0.206	0.219	0.976	0.959	0.996	0.999	0.95
Compound_50	Cc1oc2c(c1C)c1ccccc1cc2	0.383	0.571	0.97	0.545	0.11	0.838	0.674	0.87	0.762	0.994	0.951
Compound_51	Cc1c2ccccc2c(c2c1scc2)C	0.768	0.695	0.923	0.523	0.529	0.562	0.992	0.826	0.979	0.994	0.107
Compound_52	CC(CCc1cc(C)ccc1C)CCCC(C)C	0.879	0.173	0.905	0.509	0.087	0.051	0.87	0.676	0.531	0.993	0.349
Compound_53	Cc1cc(C)c2c(c1)ccc1c2c(C)cc(c1)C	0.903	0.55	0.981	0.627	0.683	0.756	0.992	0.995	0.824	0.999	0.909
Compound_54	Cc1ccc2c(c1C)c1c(cc2)ccc(c1C)C	0.943	0.41	0.963	0.622	0.683	0.756	0.992	0.979	0.964	0.999	0.935
Compound_55	Cc1cccc2c1c1c(C)cccc1cc2	0.946	0.549	0.949	0.62	0.614	0.678	0.997	0.994	0.954	0.998	0.918
Compound_56	CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2[C@]1(C)CCCC2	0.993	0.581	0.176	0.568	0.825	0.872	0.582	0.85	0.724	1.0	0.774
Compound_57	Cc1nc(c2ccccc2)c(c(c1C)C)C	0.617	0.553	0.965	0.756	0.38	0.544	0.229	0.95	0.659	0.621	0.736
Compound_58	Cc1ccc2c(c1)c1cccc(c1s2)C	0.825	0.695	0.969	0.573	0.554	0.375	0.986	0.959	0.942	0.994	0.107
Compound_59	CCCCC=CCCC=O	0.877	0.063	0.268	0.594	0.201	0.153	0.993	0.956	0.916	1.0	0.87
Compound_60	CC1(C)c2ccccc2c2c1cccc2	0.959	0.615	0.939	0.801	0.367	0.472	0.517	0.978	0.877	0.992	0.924
Compound_61	Cc1cc2ccc3c(c2cc1C)cccc3	0.959	0.403	0.949	0.624	0.614	0.678	0.997	0.992	0.783	0.998	0.945
Compound_62	O=C[C@]1(C)CCC[C@]2(C1CCc1c2ccc(c1)C(C)C)C	0.755	0.455	0.221	0.514	0.356	0.756	0.91	0.732	0.732	0.997	0.779
Compound_63	CC1CCCC2C1CCc1c2ccc(c1)C(C)C	0.811	0.377	0.114	0.518	0.436	0.472	0.971	0.672	0.942	0.997	0.628
Compound_64	CCCCC#CCCCCCCCCCC=O	0.934	0.127	0.268	0.521	0.108	0.938	1.0	0.969	0.659	1.0	0.745
Compound_65	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C	0.83	0.049	0.76	0.521	0.193	0.036	0.996	0.923	0.888	0.996	0.934
Compound_66	CCCCCCCCCC#CC=CCCC	0.927	0.141	0.331	0.613	0.5	0.833	1.0	0.953	0.951	1.0	0.722
Compound_67	Cc1ccc2c(c1)ccc1c2sc2c1cccc2	0.856	0.697	0.969	0.616	0.61	0.665	0.995	0.976	0.969	0.998	0.076
Compound_68	Cc1ccc2c(c1)c(C)c1c(c2)c2c(s1)cccc2	0.836	0.695	0.959	0.598	0.663	0.648	0.995	0.978	0.975	0.994	0.107
Compound_69	CCCCCC1=CCC(CC1)C1CCC(CC1)CC	0.999	0.401	0.579	0.618	0.47	0.224	0.848	0.771	0.907	0.998	0.894
Compound_70	CC([C@@H]1CC[C@@H](c2c1cc(C)cc2)C)C	0.824	0.429	0.166	0.524	0.132	0.093	0.372	0.344	0.935	0.984	0.564
Compound_71	Cc1ccc(cc1C)c1ccc(c(c1)C)C	0.96	0.431	0.838	0.755	0.206	0.219	0.976	0.867	0.602	0.995	0.811
Compound_72	CC(CCc1ccc(c(c1C)C)C)C	0.647	0.171	0.919	0.526	0.058	0.028	0.6	0.556	0.466	0.96	0.239
Compound_73	CC(c1ccc(cc1)Oc1ccccc1)(C)C	0.863	0.537	0.795	0.594	0.846	0.984	0.971	0.566	0.885	0.988	0.838
Compound_74	CCCc1c(C)ccc2c1cccc2	0.766	0.514	0.617	0.636	0.144	0.136	0.914	0.786	0.921	0.997	0.92
Compound_75	CC(=O)OC1C=Cc2c(C1)cccc2	0.653	0.501	0.923	0.633	0.176	0.145	0.747	0.991	0.915	0.982	0.75
Compound_76	CCC(c1ccccc1)(C=C)CC	0.886	0.243	0.731	0.656	0.127	0.1	0.901	0.846	0.808	0.996	0.547
Compound_77	C1C=C2C3(C1)CCC(C2)C3	0.999	0.522	0.558	0.662	0.713	0.156	0.567	0.883	0.656	0.999	0.565
Compound_78	O=CCCCCOC(=O)c1ccccc1	0.625	0.166	0.525	0.577	0.071	0.41	0.997	0.103	0.671	0.434	0.711
Compound_79	OC1C=Cc2c(c3c1cccc3)cccc2	0.494	0.78	0.658	0.612	0.277	0.176	0.927	0.784	0.555	0.975	0.874
Compound_80	CCCCCC(c1ccccc1)CCCCC	0.905	0.104	0.384	0.514	0.122	0.082	0.982	0.944	0.826	1.0	0.515
Compound_81	COc1cc(C=O)ccc1OCc1ccc(cc1)C	0.56	0.535	0.479	0.624	0.566	0.792	0.69	0.04	0.503	0.451	0.86
Compound_82	CCC(c1ccccc1)(CC)CC	0.87	0.166	0.49	0.54	0.127	0.1	0.901	0.082	0.816	0.998	0.347
Compound_83	CCCCCCCCC(c1ccccc1)CC	0.9	0.104	0.248	0.514	0.122	0.082	0.982	0.944	0.945	1.0	0.515
Compound_84	CCC(c1ccccc1)CC	0.763	0.163	0.309	0.514	0.08	0.045	0.861	0.6	0.707	0.997	0.262
Compound_85	CCCCCCCCCCC(c1ccccc1)CC	0.9	0.104	0.248	0.514	0.116	0.253	0.989	0.944	0.945	1.0	0.515
Compound_86	CCCCC(c1ccccc1)(CCC)C	0.943	0.152	0.418	0.56	0.127	0.1	0.901	0.502	0.896	1.0	0.559
Compound_87	CCCCCCCCCC(c1ccccc1)CCC	0.9	0.104	0.384	0.514	0.116	0.253	0.989	0.944	0.873	1.0	0.515
Compound_88	CCCCCCCCCCCC(CCCC(C)C)C	0.993	0.074	0.763	0.501	0.145	0.132	0.999	0.867	0.596	1.0	0.851
Compound_89	CCC(C(c1ccccc1)CC)c1ccccc1	0.558	0.509	0.309	0.519	0.339	0.351	0.989	0.6	0.415	0.999	0.861
Compound_90	CCC1OC(CC)OC(O1)CC	0.635	0.132	0.285	0.61	0.053	0.075	0.995	0.952	0.578	0.802	0.255
Compound_91	CCc1ccc(cc1)c1ccc(cc1)C(=O)O	0.463	0.496	0.276	0.435	0.289	0.553	0.996	0.809	0.427	0.25	0.274
Compound_92	CCc1c2ccccc2c(c2c1cccc2)C	0.823	0.547	0.869	0.643	0.683	0.756	0.992	0.935	0.92	0.998	0.94
Compound_93	CCCCCCCCCCCCCCCCC(c1ccccc1)C	0.9	0.104	0.384	0.514	0.116	0.253	0.989	0.946	0.83	1.0	0.515
Compound_94	CCCCCCCCCCCCCCC(c1ccccc1)C	0.9	0.104	0.384	0.514	0.116	0.253	0.989	0.946	0.83	1.0	0.515
Compound_95	Cc1c2ccccc2cc2c1sc1c2cccc1	0.86	0.697	0.953	0.575	0.663	0.648	0.995	0.967	0.978	0.998	0.076
Compound_96	O=C1CCC23C1(C)C2C=CC3(C)C	0.983	0.694	0.33	0.615	0.752	0.102	0.298	0.736	0.353	0.992	0.773
Compound_97	CCCCCCCCCCCC(c1ccccc1)(C)C	0.947	0.151	0.478	0.583	0.179	0.441	0.981	0.55	0.976	0.999	0.5
Compound_98	OCCC(CCCC(CCCC(C)C)C)C	0.928	0.111	0.616	0.463	0.06	0.096	0.902	0.148	0.038	0.144	0.538
Compound_99	O=CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C	0.755	0.455	0.221	0.514	0.356	0.756	0.91	0.732	0.732	0.997	0.779
Compound_100	CCCCCCCCCCOC(=O)C(Cl)C	0.961	0.041	0.246	0.793	0.307	0.039	0.999	0.998	0.851	0.999	0.958
Compound_101	CCCCCCCCCCCOC(=O)c1ccccc1Cl	0.844	0.174	0.732	0.683	0.672	0.579	0.977	0.681	0.861	0.999	0.779
Compound_102	CC1(C)C=CC(C1)(C)C	0.94	0.191	0.308	0.632	0.514	0.04	0.958	0.923	0.916	0.998	0.724
Compound_103	CCCCCC(C=C)(C)C	0.969	0.092	0.279	0.682	0.452	0.047	0.988	0.985	0.935	0.999	0.857
Compound_104	CCCCCCCCCC=CCCC	0.999	0.053	0.331	0.625	0.408	0.032	0.996	0.952	1.013	1.0	0.845
Compound_105	CCCCC=CC(CCCC)C	0.964	0.075	0.397	0.648	0.256	0.012	0.965	0.805	0.929	1.0	0.881
Compound_106	CCC(C1CC1)C	0.949	0.136	0.161	0.474	0.075	0.014	0.976	0.445	0.728	1.0	0.913
Compound_107	C[C@@H]1CCCC[C@H](CC1)C	0.993	0.094	0.294	0.456	0.11	0.028	0.981	0.817	0.626	0.998	0.484
Compound_108	COC(=O)CCCCCCCCCCCCCC(C)C	0.912	0.009	0.702	0.562	0.064	0.022	0.998	0.83	0.143	0.97	0.725
Compound_109	CCCC(C=C)(C)C	0.919	0.056	0.259	0.679	0.387	0.028	0.963	0.983	0.895	0.998	0.811
Compound_110	CCCC=CCCCCC(C)C	0.982	0.063	0.808	0.658	0.294	0.013	0.98	0.809	0.43	1.0	0.905
Compound_111	CCCCCCCCCCCCC=CCCCC	0.999	0.053	0.331	0.625	0.5	0.167	1.0	0.952	1.013	1.0	0.845
Compound_112	C1C[C@@H]([C@@H]1c1ccccc1)c1ccccc1	0.674	0.564	0.389	0.505	0.732	0.64	0.995	0.69	0.349	0.983	0.681
Compound_113	C[C@@H]1CCCC[C@@H](CC1)C	0.993	0.094	0.294	0.456	0.11	0.028	0.981	0.817	0.626	0.998	0.484
Compound_114	CCCCCCCCCCCCCCCC(=O)OC(C)(C)C	0.903	0.036	0.11	0.613	0.086	0.057	0.991	0.926	0.219	0.998	0.815
Compound_115	CCCCCCCCC=CCCC	0.999	0.053	0.331	0.625	0.408	0.032	0.996	0.952	1.013	1.0	0.845
Compound_116	CCC(c1ccccc1)CCc1ccccc1	0.71	0.518	0.226	0.509	0.339	0.351	0.989	0.514	0.573	0.998	0.826
Compound_117	CCCCCCCCCCCCCCOC(=O)C(F)(F)F	0.96	0.022	0.534	0.806	0.524	0.103	0.998	0.988	0.465	0.999	0.929
Compound_118	COc1ccc(cc1)C(=C)c1ccc(cc1)OC	0.954	0.732	0.776	0.709	0.713	0.966	0.705	0.062	0.883	0.95	0.929
Compound_119	CCCCCCCCC(c1ccccc1)(C)C	0.947	0.151	0.478	0.583	0.187	0.18	0.982	0.55	0.976	0.999	0.5
Compound_120	CCCCCCCNC(=O)N	0.093	0.053	0.022	0.25	0.019	0.052	0.001	0.058	0.831	0.627	0.078
Compound_121	CC(CC1C(C1(C)C)C)C	0.969	0.158	0.606	0.514	0.247	0.04	0.938	0.235	0.679	0.995	0.681
Compound_122	c1ccc(cc1)C12CCC(CC1)(N=N2)c1ccccc1	0.661	0.685	0.529	0.566	0.266	0.694	0.983	0.508	0.63	0.039	0.673
Compound_123	C=C(c1ccccc1)CCCC(=C)C	0.948	0.329	0.456	0.574	0.082	0.08	0.984	0.996	0.904	0.987	0.696
Compound_124	CCCCC=CC(CC)C	0.93	0.075	0.347	0.639	0.255	0.007	0.945	0.789	0.945	1.0	0.881
Compound_125	CC(=O)CN1C(=O)c2c(C1=O)cccc2	0.557	0.504	0.339	0.495	0.026	0.153	0.083	0.088	0.491	0.183	0.217
Compound_126	C1CC=CCC2C(CC=C1)C1CCC2C1	0.978	0.328	0.187	0.546	0.664	0.462	0.61	0.428	0.907	0.999	0.523
Compound_127	CCCCC=CCC(=C)N(=O)=O	0.422	0.154	0.294	0.624	0.438	0.447	0.996	0.988	0.939	0.999	0.878
Compound_128	CCC(CCC(CCCCC(C)C)C)C	0.993	0.074	0.763	0.449	0.102	0.072	0.989	0.798	0.394	1.0	0.851
Compound_129	CCCCC(CCCCC(C)C)C	0.993	0.074	0.763	0.501	0.109	0.028	0.981	0.867	0.401	1.0	0.851
Compound_130	CCCC(CCCCCC(C)C)C	0.993	0.074	0.763	0.501	0.109	0.028	0.981	0.867	0.5	1.0	0.851
Compound_131	CC(CCCCCCC(C)C)C	0.993	0.076	0.763	0.509	0.107	0.025	0.981	0.829	0.333	0.997	0.749
Compound_132	CCCCC=CC=O	0.916	0.099	0.268	0.599	0.172	0.283	0.998	0.956	0.971	0.999	0.858
Compound_133	CCC=C=CCC(C)C	0.803	0.056	0.696	0.58	0.21	0.005	0.936	0.332	0.765	1.0	0.866
Compound_134	CCCCCCC#CC(O)C	0.853	0.167	0.068	0.449	0.096	0.88	0.863	0.153	0.627	0.96	0.618
Compound_135	CCCCCCCC=CCCC	0.997	0.053	0.331	0.625	0.408	0.032	0.996	0.952	1.001	1.0	0.845
Compound_136	CCC(CC(C)(C)C)CC(C)(C)C	0.969	0.069	0.18	0.43	0.135	0.039	0.979	0.51	0.825	0.999	0.734
Compound_137	OC1COC(=C(C1=O)O)C	0.48	0.322	0.034	0.434	0.066	0.19	0.083	0.019	0.377	0.4	0.058
Compound_138	CCCCCCC(CCC=C)C	0.992	0.056	0.315	0.631	0.411	0.015	0.973	0.953	0.534	1.0	0.924
Compound_139	O=CCCCCCCCC=CCC=CCC=CCC	0.975	0.076	0.154	0.541	0.284	0.308	1.0	0.91	0.715	1.0	0.889
Compound_140	CCCCCC=CCC=CCCCCCCCC=O	0.973	0.045	0.232	0.589	0.272	0.507	1.0	0.956	0.803	1.0	0.875
Compound_141	CCCNC(=O)c1ccccc1	0.108	0.136	0.295	0.301	-0.001	0.206	0.033	0.104	0.478	0.36	0.046
Compound_142	CCC1CC2CC1CC2	0.993	0.314	0.161	0.436	0.275	0.073	0.46	0.584	0.83	1.0	0.702
Compound_143	CCCCCCCCCC(C)(C)C	0.993	0.108	0.309	0.592	0.161	0.059	0.984	0.987	0.982	1.0	0.827
Compound_144	CC(CCCCCCCCC(C)(C)C)(C)C	0.993	0.115	0.309	0.541	0.209	0.236	0.998	0.972	0.891	0.996	0.71
Compound_145	CCCC(CCCC(CCCC(CCCC(C)C)C)C)C	0.993	0.074	0.763	0.501	0.145	0.132	0.999	0.867	0.486	1.0	0.851
Compound_146	c1ccc(cc1)C1CCCc2c1cccc2	0.672	0.621	0.747	0.47	0.624	0.65	0.995	0.676	0.58	0.995	0.934
Compound_147	CCCCCCCCCCCCC(CCCCC)C	0.993	0.08	0.294	0.501	0.145	0.132	0.999	0.868	0.977	1.0	0.847
Compound_148	CC(CCCCC(C)(C)C)(C)C	0.985	0.103	0.309	0.541	0.161	0.059	0.984	0.972	0.881	0.991	0.664
Compound_149	CCC(CCCC(C)C)CC	0.99	0.074	0.763	0.505	0.109	0.028	0.981	0.857	0.304	1.0	0.851
Compound_150	CCCCCCCCC(CCCCCC)C	0.993	0.08	0.294	0.501	0.145	0.132	0.999	0.868	0.977	1.0	0.847
Compound_151	O=N(=O)C1C2CC3CC1CC(C2)C3	0.956	0.347	0.207	0.423	0.418	0.917	0.067	0.78	0.479	1.0	0.897
Compound_152	CCCCCC#CC(=C)C	0.927	0.183	0.516	0.582	0.185	0.63	0.954	0.995	0.852	1.0	0.836
Compound_153	O=CC=Cc1ccccc1OC	0.745	0.424	0.859	0.7	0.092	0.355	0.647	0.731	0.923	0.976	0.687
Compound_154	CC[C@@H](C=CCC(C)C)C	0.896	0.058	0.753	0.6	0.244	0.005	0.945	0.615	0.861	1.0	0.877
Compound_155	CCCCCCC=CCCCC	0.982	0.053	0.331	0.625	0.34	0.022	0.997	0.952	0.996	1.0	0.845
Compound_156	C=C1CCCC=CC2C1O2	0.971	0.3	0.712	0.497	0.689	0.318	0.997	0.938	0.521	0.998	0.971
Compound_157	C=CC(=CCC=C(CCC=C(C)C)C)C	0.827	0.049	0.723	0.525	0.201	0.024	0.943	0.976	0.853	0.997	0.951
Compound_158	CC1=C[C@@H]2[C@H](CC1)C(=CC[C@H]2C(C)C)C	0.984	0.405	0.642	0.486	0.565	0.216	0.274	0.851	0.871	0.996	0.814
Compound_159	CC1=CC2C(CC1)(O)C(C)CCC2C(C)C	0.967	0.751	0.319	0.574	0.396	0.092	0.087	0.868	0.496	0.995	0.9
Compound_160	CCC1(CC)C=C1	0.927	0.356	0.308	0.645	0.275	0.02	0.955	0.915	0.893	0.999	0.941
Compound_161	CC1=CC2C(=CC1)C(C)CCC2C(C)C	0.992	0.469	0.479	0.612	0.381	0.045	0.274	0.895	0.831	0.996	0.5
Compound_162	CCCCCCCCCCCCC(CCCC(C)C)C	0.993	0.074	0.763	0.501	0.145	0.132	0.999	0.867	0.596	1.0	0.851
Compound_163	CCC(CC(CC(C)C)C)C	0.99	0.07	0.75	0.412	0.109	0.028	0.981	0.517	0.79	1.0	0.814
Compound_164	CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)C)COC(=O)C	0.992	0.087	0.434	0.742	0.43	0.097	0.998	0.884	0.41	1.0	0.927
Compound_165	CCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCC	0.931	0.011	0.296	0.716	0.075	0.083	0.997	0.633	0.29	0.988	0.911
Compound_166	CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)C)COC(=O)C	0.966	0.005	0.231	0.775	0.101	0.077	0.998	0.076	0.328	0.982	0.887
Compound_167	CC1=CCCC(=CCC=C(/C=C/[C@@H](CC1)C(C)C)C)C	0.929	0.119	0.664	0.567	0.319	0.115	0.989	0.843	0.861	0.997	0.515
Compound_168	CCCCCCCCCC(CI)C	0.99	0.156	0.25	0.672	0.264	0.206	0.981	0.975	0.836	1.0	0.883
Compound_169	CCCCCCCCCCC=CCCCCCCCCC	0.999	0.053	0.331	0.625	0.5	0.167	1.0	0.952	1.013	1.0	0.845
Compound_170	CCC(CC(CCCC(C)C)C)C	0.993	0.074	0.763	0.417	0.109	0.028	0.981	0.817	0.388	1.0	0.851
Compound_171	CCCCC(CCC(CCC)C)C	0.993	0.08	0.294	0.501	0.109	0.028	0.981	0.868	0.84	1.0	0.847
Compound_172	CCCCC(CC(CC(C)C)C)C	0.993	0.074	0.763	0.47	0.109	0.028	0.981	0.878	0.835	1.0	0.851
Compound_173	CCC(CCCCC(CCCC(CCCC(C)C)C)C)C	0.993	0.074	0.763	0.449	0.145	0.132	0.999	0.798	0.384	1.0	0.851
Compound_174	CCCCCCCCCCCCCCCC(C)C	0.993	0.074	0.763	0.557	0.142	0.121	0.999	0.882	0.603	1.0	0.851
Compound_175	CCCCCCCCCCCCCC(CC)C	0.993	0.08	0.294	0.495	0.145	0.132	0.999	0.842	0.979	1.0	0.847
Compound_176	CCCCCCCCCCCCC(CC)C	0.993	0.08	0.294	0.495	0.145	0.132	0.999	0.842	0.979	1.0	0.847
Compound_177	CCC=CC=CCCCCCC=C	0.972	0.091	0.373	0.609	0.333	0.054	0.997	0.978	0.448	1.0	0.858
Compound_178	CCCCCC=CCC=CCCCCCCCCCC(=O)OC	0.937	0.006	0.474	0.632	0.35	0.052	1.0	0.987	0.289	1.0	0.914
Compound_179	CCCCC(CCCC(C)C)C	0.993	0.074	0.763	0.501	0.109	0.028	0.981	0.867	0.394	1.0	0.851
Compound_180	CCCCCCCCCCC=CC	0.996	0.053	0.331	0.601	0.408	0.032	0.996	0.952	1.013	1.0	0.845
Compound_181	CCCCCCCCC=CCCCCCCCC=O	0.99	0.045	0.268	0.594	0.272	0.507	1.0	0.956	0.904	1.0	0.875
Compound_182	CC(C(C)C)CCC(C(C)C)C	0.99	0.081	0.273	0.496	0.108	0.017	0.906	0.594	0.732	0.984	0.689
Compound_183	CC(C(C(C)(C)C)C)C	0.909	0.041	0.36	0.475	0.108	0.014	0.903	0.203	0.844	0.999	0.697
Compound_184	CCC(CC1CCCCC1)C	0.993	0.092	0.294	0.422	0.135	0.042	0.983	0.855	0.938	1.0	0.493
Compound_185	CC1(C)CCCC21CCCC2(C)C	0.993	0.315	0.309	0.541	0.371	0.113	0.567	0.972	0.864	0.996	0.769
Compound_186	C=CCCCCCCCCCC(=O)C=C	0.99	0.102	0.368	0.61	0.393	0.08	0.963	0.923	0.129	1.0	0.939
Compound_187	C=CCCCCCCCCCCCCCCCCC=C	0.992	0.108	0.335	0.626	0.615	0.23	1.0	0.942	0.394	1.0	0.875
Compound_188	C1CCC(CC1)CCC(CCCC1CCCC1)CCCC1CCCC1	0.993	0.195	0.299	0.5	0.386	0.313	0.995	0.754	0.866	0.999	0.281
Compound_189	CCCCCCCCC(CCCC1CCCC1)CCCC1CCCC1	0.993	0.153	0.294	0.561	0.27	0.177	0.998	0.905	0.933	1.0	0.847
Compound_190	CC1CCCC(C)CCC(CC1)C(C)C	0.993	0.107	0.175	0.444	0.365	0.328	0.906	0.726	0.775	0.998	0.475
Compound_191	CCCCC=CCCCCCCC=C	0.997	0.069	0.331	0.644	0.408	0.032	0.996	0.98	0.59	1.0	0.851
Compound_192	CCCCCCC1(CCCCC1)N(=O)=O	0.972	0.303	0.22	0.423	0.076	0.545	0.82	0.99	0.782	0.775	0.858
Compound_193	CCCCCCCCCC1CC1C(C)C	0.993	0.2	0.175	0.512	0.209	0.031	0.906	0.833	0.691	1.0	0.863
Compound_194	CCCCCCCCCCCCCC(=C)C	0.992	0.101	0.677	0.59	0.255	0.05	1.0	0.994	1.005	1.0	0.975
Compound_195	CCCCCC1CCCC1CCC	0.993	0.218	0.175	0.533	0.219	0.07	0.621	0.82	0.843	1.0	0.839
Compound_196	CCCCC#CCCCCCCCCCCO	0.894	0.127	0.113	0.548	0.126	0.916	0.99	0.502	0.203	0.906	0.528
Compound_197	CCCCCCCCCCC(C(CC)CC)CCCCCCCCCC	0.993	0.08	0.175	0.527	0.144	0.085	0.991	0.786	0.987	1.0	0.847
Compound_198	Cn1ccnc1N	0.409	0.365	0.504	0.457	0.373	0.068	0.006	0.017	0.827	0.871	0.604
Compound_199	CCCCCCC1CCC2C(C1)CC(C2)CCCC	0.993	0.279	0.175	0.5	0.343	0.396	0.845	0.87	0.784	1.0	0.678
Compound_200	CCCCCCCC#CC	0.983	0.138	0.309	0.563	0.156	0.852	0.996	0.989	0.895	1.0	0.71
Compound_201	CCC(CCC(O)C)CC	0.834	0.072	0.051	0.482	0.043	0.03	0.867	0.227	0.097	0.922	0.545
Compound_202	CCCCCCCCC1=C(C1)CCCCCCCO	0.972	0.339	0.334	0.551	0.167	0.195	0.973	0.713	0.288	0.959	0.676
Compound_203	CCCCCCCCCCCCC#CCC	0.966	0.138	0.309	0.563	0.207	0.892	1.0	0.989	0.924	1.0	0.71
Compound_204	CCCC(C#CCC)C	0.818	0.186	0.273	0.543	0.088	0.782	0.945	0.518	0.692	1.0	0.658
Compound_205	CCCCCCCCCCC#CCC	0.966	0.138	0.309	0.563	0.156	0.852	0.996	0.989	0.924	1.0	0.71
Compound_206	O=Cc1ccc(cc1O)OCc1ccccc1	0.823	0.701	0.478	0.717	0.896	0.909	0.995	0.317	0.619	0.249	0.925
Compound_207	CCC(C#CC=O)CC	0.842	0.192	0.214	0.467	0.073	0.932	0.992	0.272	0.729	0.992	0.763
Compound_208	CCCCCCCCCC#CCCC	0.966	0.138	0.309	0.563	0.156	0.852	0.996	0.989	0.924	1.0	0.71
Compound_209	CCCCCCC#CCCC	0.915	0.138	0.309	0.563	0.125	0.829	0.996	0.989	0.882	1.0	0.71
Compound_210	CCCCCCC1CC2CCCC2CC1CCCC	0.993	0.345	0.175	0.496	0.36	0.355	0.845	0.834	0.96	1.0	0.675
Compound_211	CCCCCCC#CCCCCCCCCCCl	0.983	0.109	0.309	0.688	0.551	0.921	0.999	0.997	0.223	1.0	0.811
Compound_212	CCCCCCCC#CCCCCCC	0.962	0.138	0.309	0.563	0.156	0.852	0.996	0.989	0.895	1.0	0.71
Compound_213	CCCCCCCC#CCCCCCCC	0.962	0.138	0.309	0.563	0.207	0.892	1.0	0.989	0.895	1.0	0.71
Compound_214	CCCCCCCCCCC#CCCCCCCCC	0.966	0.138	0.309	0.563	0.196	0.933	1.0	0.989	0.924	1.0	0.71
Compound_215	CCCCCCCCC#CCCCCCCCC	0.966	0.138	0.309	0.563	0.196	0.933	1.0	0.989	0.924	1.0	0.71
Compound_216	CC(=CN1CC1)C	0.244	0.284	0.091	0.112	0.507	0.276	0.005	0.907	0.666	0.78	0.658
Compound_217	ClC1CC2CC1CC2	0.989	0.297	0.36	0.586	0.572	0.648	0.99	0.963	0.721	1.0	0.289
Compound_218	Cc1ccc(cc1)C1N=c2c(c[nH]n2C(C1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccc(cc1)F	0.453	0.697	0.32	0.553	0.727	0.686	0.204	0.973	0.422	0.004	0.079
Compound_219	CCCCCC1C2C1CCC(C2)C	0.993	0.179	0.294	0.486	0.237	0.071	0.94	0.888	0.772	1.0	0.532
Compound_220	CCC(C(B(C(C)C)C(C)C)C(C)C)C(C)C	0.873	0.1	0.232	0.518	0.611	0.812	0.994	0.479	0.755	0.999	0.658
Compound_221	CCCCCCCCC1CCCCCCCCC1	0.993	0.075	0.294	0.561	0.403	0.481	0.999	0.905	0.993	1.0	0.491
Compound_222	C(CC1CCCCC1)CC1CCCCC1	0.993	0.234	0.299	0.5	0.315	0.198	0.939	0.754	0.946	1.0	0.437
Compound_223	CCC1CC(CC)C(CC1CC)CC	0.993	0.161	0.134	0.445	0.148	0.028	0.778	0.407	0.876	1.0	0.405
Compound_224	C[C@@H]1CCCC[C@H]1CC1CCCCC1	0.993	0.243	0.175	0.468	0.291	0.06	0.866	0.831	0.783	0.998	0.354
Compound_225	CCCC1CCCCC1CC	0.993	0.151	0.175	0.527	0.144	0.023	0.952	0.786	0.702	1.0	0.485
Compound_226	CC1CCCCCCC1	0.993	0.097	0.294	0.456	0.11	0.028	0.981	0.817	0.643	0.999	0.487
Compound_227	CCCCCCCCCCCCCCCCCCCCCC1CCCC1	0.993	0.153	0.294	0.561	0.208	0.235	0.998	0.905	0.94	1.0	0.847
Compound_228	CC([C@H]1[C@H](C1=C(C)C)C)C	0.934	0.263	0.517	0.529	0.175	0.015	0.867	0.817	0.784	0.999	0.971
Compound_229	CCCCC(C(CCC(C)C)C)C	0.993	0.074	0.763	0.562	0.108	0.017	0.906	0.882	0.382	1.0	0.851
Compound_230	O=C(c1ccccc1)COC(=O)C	0.757	0.164	0.684	0.586	0.011	0.161	0.992	0.402	0.464	0.302	0.527
Compound_231	CCCCC(COC(=O)c1ccccc1C(=O)OC)CC	0.952	0.136	0.086	0.497	0.103	0.048	0.988	0.006	0.618	0.921	0.79
Compound_232	CCCC(C=C)C=C	0.869	0.077	0.248	0.669	0.221	0.004	0.983	0.971	0.808	0.999	0.856
Compound_233	CCCCCCCC1CC1CC	0.993	0.193	0.175	0.49	0.211	0.045	0.981	0.806	0.689	1.0	0.904
Compound_234	CCCCCCCCCCCC=CCCCCCCCCCC	0.999	0.053	0.331	0.625	0.5	0.167	1.0	0.952	1.013	1.0	0.845
Compound_235	C#CCCCCCCCCCCCCCCCC(=O)O	0.903	0.127	0.167	0.129	0.179	0.383	0.989	0.037	0.116	0.46	0.208
Compound_236	CCCCCCCCCCCCCCCCC=CCC	0.998	0.053	0.23	0.608	0.5	0.167	1.0	0.913	1.013	1.0	0.845
Compound_237	CCCCCCCCCC=CCCCCCCCC	0.999	0.053	0.331	0.625	0.5	0.167	1.0	0.952	1.013	1.0	0.845
Compound_238	CCCCCCCCCCC(C1CCCCC1)C	0.993	0.092	0.175	0.538	0.177	0.123	0.992	0.82	1.002	1.0	0.493
Compound_239	CCCCCC=CCOC(=O)C(=CC)C	0.967	0.084	0.471	0.614	0.612	0.231	0.993	0.994	0.959	1.0	0.969
Compound_240	CCCCCCCCCCCCCCC(CC)C	0.993	0.08	0.294	0.495	0.145	0.132	0.999	0.842	0.979	1.0	0.847
Compound_241	COOC	0.912	0.132	0.407	0.495	0.222	0.107	0.967	0.806	0.885	0.996	0.828
Compound_242	CCCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCC	0.999	0.053	0.331	0.625	0.619	0.197	1.0	0.952	1.013	1.0	0.845
Compound_243	CCCCCCCCCCCC(=O)CCCCCC	0.979	0.019	0.315	0.548	0.062	0.095	1.0	0.667	0.693	1.0	0.929
Compound_244	CCCCCCCCCC(=O)CCCCCCCC	0.979	0.019	0.315	0.548	0.062	0.095	1.0	0.667	0.693	1.0	0.929
Compound_245	CCCCCCCCCCC=CCCCCC(C)C	0.999	0.063	0.808	0.658	0.45	0.108	0.998	0.809	0.686	1.0	0.905
Compound_246	CC(C(C1CCCCC1)C)C1CCCCC1	0.993	0.254	0.175	0.489	0.34	0.122	0.972	0.753	0.933	0.998	0.395
Compound_247	CCCC1CCCCCC(C1)C	0.993	0.073	0.294	0.474	0.11	0.028	0.981	0.905	0.641	1.0	0.488
Compound_248	CCCCCCCCCCCCCCCCCC(CC)C	0.993	0.08	0.294	0.495	0.145	0.132	0.999	0.842	0.979	1.0	0.847
Compound_249	CCCCCC(CCCC(CCCC(C)C)C)C	0.993	0.074	0.763	0.501	0.145	0.132	0.999	0.867	0.408	1.0	0.851
Compound_250	CCC(CCCCCCC(C)C)C	0.993	0.074	0.763	0.449	0.109	0.028	0.981	0.798	0.422	1.0	0.851
Compound_251	CCCCC1CC(=CC1=O)OC	0.912	0.339	0.645	0.641	0.287	0.059	0.976	0.573	0.492	0.997	0.947
Compound_252	C1CCCCC2C(CC1)C2	0.993	0.16	0.179	0.452	0.258	0.417	0.96	0.657	0.593	1.0	0.871
Compound_253	CCCCC1CCCC1CCC	0.993	0.218	0.175	0.533	0.219	0.07	0.621	0.82	0.843	1.0	0.839
Compound_254	CCCCC1(C)CC1CCC	0.993	0.257	0.232	0.491	0.296	0.052	0.922	0.771	0.735	1.0	0.897
Compound_255	C1CCCCCCCCCCCC1	0.993	0.1	0.313	0.516	0.166	0.096	0.987	0.863	0.892	1.0	0.563
Compound_256	CCCCC(=O)NCC	0.03	0.063	0.058	0.324	0.001	0.007	0.002	0.101	0.398	0.808	0.157
Compound_257	CCCC(CCCCC(CC)C)C	0.993	0.08	0.294	0.495	0.109	0.028	0.981	0.842	0.819	1.0	0.847
Compound_258	CCCCCCCCCC1CC1(C)C(C(C)C)C	0.993	0.236	0.232	0.465	0.362	0.153	0.982	0.388	0.834	1.0	0.866
Compound_259	CCCCCCCCCCCCCCCCCCCN(C)C	0.94	0.231	0.003	0.11	0.056	0.823	0.992	0.45	0.934	0.444	0.428
Compound_260	O=C(c1ccccc1Cl)OCCN1CCCCC1	0.084	0.312	0.157	0.226	0.267	0.253	0.009	0.018	0.412	0.974	0.174
Compound_261	CCCCC(CCCC(CC)C)C	0.993	0.08	0.294	0.495	0.109	0.028	0.981	0.842	0.907	1.0	0.847
Compound_262	C1=Cc2c(C1)cccn2	0.316	0.421	0.898	0.583	0.064	0.282	0.003	0.742	0.858	0.911	0.728
Compound_263	CC(C1CCC(C1C)C)C	0.99	0.191	0.273	0.512	0.208	0.092	0.621	0.596	0.706	0.981	0.603
Compound_264	CCCCC[C@H]1C[C@@H]1CCCC	0.993	0.193	0.175	0.496	0.211	0.045	0.981	0.834	0.639	1.0	0.904
Compound_265	CCCCCCC=CCCCCCCCCO	0.981	0.078	0.123	0.558	0.364	0.3	0.991	0.632	0.227	0.947	0.622
Compound_266	N=Cc1ccccc1	0.886	0.234	0.763	0.568	0.007	0.033	0.067	0.957	0.949	0.954	0.528
Compound_267	C1CCC2(CC1)CC2	0.99	0.231	0.332	0.526	0.337	0.15	0.95	0.902	0.664	1.0	0.62
Compound_268	CC1CCC23C1CC(C3(C)C)CCC2C	0.993	0.321	0.07	0.47	0.46	0.141	0.164	0.415	0.532	0.995	0.266
Compound_269	CCCCCCCCCCCOC(=O)c1ccccc1	0.851	0.075	0.542	0.639	0.131	0.279	0.997	0.364	0.912	0.995	0.729
Compound_270	CC(C1CCC=CC1)(C)C	0.965	0.141	0.372	0.602	0.403	0.046	0.79	0.679	0.936	0.996	0.41
Compound_271	O=C(OC(C)(C)C)C=CC(=O)OC(C)(C)C	0.946	0.042	0.195	0.664	0.727	0.227	0.966	0.999	0.933	0.994	0.914
Compound_272	OC[C@@H]1CC[C@H](CC1)C(C)C	0.92	0.081	0.038	0.497	0.111	0.045	0.869	0.044	0.292	0.045	0.171
Compound_273	OC(=O)c1ccccc1	0.595	0.09	0.484	0.375	0.038	0.038	0.978	0.229	0.692	0.033	0.141
Compound_274	CC1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2CCO1)C)C	0.953	0.568	0.094	0.563	0.458	0.535	0.478	0.206	0.726	0.992	0.876
Compound_275	CCC(C1C=CC2C(C1)CC(=O)C2)C	0.983	0.477	0.114	0.568	0.378	0.121	0.055	0.871	0.404	1.0	0.907
Compound_276	CCO[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	0.729	0.098	0.158	0.523	0.061	0.449	0.938	0.604	0.461	0.956	0.439
Compound_277	C[SiH](O[Si](O[Si](O[Si](O[Si](O[SiH](C)C)(C)C)(C)C)(C)C)(C)C)C	0.733	0.055	0.294	0.486	0.316	0.468	0.916	0.807	0.903	0.96	0.868
Compound_278	C[SiH](O[Si](O[Si](O[Si](O[SiH](C)C)(C)C)(C)C)(C)C)C	0.749	0.055	0.294	0.486	0.334	0.463	0.899	0.807	0.903	0.96	0.868
Compound_279	CC=C1C=Cc2c1cccc2	0.775	0.54	0.844	0.628	0.131	0.012	0.985	0.819	0.96	0.998	0.892
Compound_280	CCc1c(CC)ccc(c1C)C	0.495	0.213	0.758	0.577	0.059	0.03	0.857	0.692	0.959	0.999	0.523
Compound_281	Cc1cc(cc(c1)C)C(C)C	0.617	0.106	0.729	0.541	0.04	0.037	0.56	0.498	0.801	0.996	0.207
Compound_282	CCc1ccc(c(c1)C)CC	0.604	0.217	0.7	0.59	0.059	0.03	0.857	0.778	0.95	0.998	0.462
Compound_283	Cc1cc(C)c2c(c1)CCC2C	0.495	0.366	0.464	0.555	0.082	0.112	0.389	0.593	0.963	0.988	0.473
Compound_284	O=C1C=CC2(C(C1)(C)CC(CC2)C(C)C)C	1.001	0.613	0.128	0.607	0.541	0.368	0.013	0.349	0.331	1.0	0.715
Compound_285	Cc1ccc(c2c1CCC2)C	0.492	0.374	0.51	0.558	0.087	0.081	0.914	0.574	0.956	0.976	0.612
Compound_286	CCC1(C)c2ccccc2C(c2c1cccc2)C	0.559	0.6	0.578	0.522	0.69	0.74	0.984	0.388	0.462	1.0	0.941
Compound_287	CC(=C)C1CC(C(=C)C)C(C(C1)(C)C)C	0.996	0.245	0.406	0.437	0.378	0.014	0.597	0.831	0.86	0.996	0.786
Compound_288	CCCCCCCCCC1CC1	0.993	0.14	0.294	0.561	0.207	0.041	0.981	0.905	0.88	1.0	0.916
Compound_289	CCCCCCCCCCC[C@H]1C[C@@H]1CCCCC(=O)OC	0.912	0.254	0.165	0.569	0.14	0.039	0.998	0.753	0.345	0.998	0.848
Compound_290	CC1CCCc2c1c(C)ccc2	0.845	0.404	0.536	0.524	0.132	0.082	0.305	0.628	0.75	0.986	0.696
Compound_291	CCc1cccc2c1CCCC2	0.741	0.329	0.747	0.557	0.127	0.086	0.615	0.616	0.859	1.0	0.9
Compound_292	CC[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCC(=O)C2	0.979	0.828	0.121	0.535	0.672	0.853	0.08	0.476	0.243	1.0	0.926
Compound_293	c1cc2CCc3c4c2c(c1)ccc4ccc3	0.747	0.647	0.926	0.593	0.798	0.642	0.999	0.962	0.74	0.999	0.914
Compound_294	CCCCCCCCCCCCC1C2CCCCC2CC2C1CCCC2	0.993	0.322	0.175	0.512	0.586	0.557	0.98	0.833	0.876	1.0	0.785
Compound_295	O=S(=O)(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2	0.854	0.618	0.895	0.661	0.796	0.722	0.983	0.954	0.856	0.994	0.326
Compound_296	O=CCCCCCCCC(=O)OC	0.912	0.013	0.277	0.543	0.067	0.195	0.997	0.937	0.218	0.945	0.82
Compound_297	CCCCCCC1CC=CCCCCCCCC(=O)O1	0.954	0.219	0.237	0.623	0.425	0.078	0.999	0.923	0.211	1.0	0.437
Compound_298	S1SSSSSSS1	0.951	0.336	0.732	0.503	0.712	0.331	0.787	0.825	0.96	1.0	0.6
Compound_299	CC(=CCCC=C(CCC=C(CCC(C(=C)C)O)C)C)CCC=C(CCC=C(C)C)C	0.879	0.081	0.258	0.518	0.239	0.169	0.805	0.911	0.313	0.964	0.92
Compound_300	C=CCOCC(O)C	0.888	0.223	0.118	0.558	0.491	0.27	0.873	0.909	0.095	0.862	0.5
Compound_301	CCCCOC(CC)C	0.775	0.07	0.168	0.597	0.057	0.042	0.973	0.57	0.671	1.0	0.955
Compound_302	C1OCC2C(O1)Cc1c2cccc1	0.26	0.528	0.667	0.515	0.153	0.499	0.152	0.85	0.384	0.946	0.86
Compound_303	O=C1C=CC2OC1OC2	0.792	0.256	0.596	0.587	0.14	0.618	0.993	0.98	0.445	0.342	0.213
Compound_304	CC(N(C(C)C)CCCCCCN(C(C)C)C(C)C)C	0.657	0.246	0.053	0.06	0.037	0.715	0.857	0.302	0.605	0.66	0.468
Compound_305	CC1=CCCC(C1=C)(C)C	0.964	0.212	0.553	0.661	0.234	0.151	0.896	0.992	0.958	0.992	0.705
Compound_306	CCCCOCCCl	0.877	0.109	0.247	0.678	0.039	0.03	0.999	0.975	0.851	1.0	0.927
Compound_307	CC(OC=O)CC	0.778	0.028	0.281	0.533	0.044	0.079	0.992	0.684	0.677	0.833	0.705
Compound_308	CCC1OCCN1C	0.039	0.454	0.04	0.127	0.017	0.025	0.014	0.039	0.192	0.709	0.373
Compound_309	CC1C(C)OC1C	0.848	0.138	0.336	0.487	0.057	0.08	0.956	0.295	0.555	0.998	0.654
Compound_310	CCCCCCCC(C(C)C)O	0.928	0.058	0.046	0.553	0.061	0.026	0.902	0.403	0.428	0.978	0.614
Compound_311	CCCCC(CCC(C)C)O	0.937	0.07	0.315	0.554	0.068	0.037	0.866	0.436	0.088	0.975	0.54
Compound_312	CCCCCCCC(CC)O	0.928	0.036	0.059	0.562	0.067	0.044	0.92	0.61	0.486	0.972	0.523
Compound_313	CCCCCCCCCC(CC)O	0.928	0.036	0.059	0.562	0.067	0.044	0.92	0.61	0.586	0.972	0.523
Compound_314	CC(CCC(C(C)C)O)C	0.858	0.086	0.347	0.483	0.054	0.027	0.813	0.182	0.043	0.16	0.312
Compound_315	CCCCCCCCCCC=CCC	0.998	0.053	0.23	0.608	0.408	0.032	0.996	0.913	1.013	1.0	0.845
Compound_316	CCCCCCCCCC=CCCCCCCCl	1.004	0.044	0.331	0.693	0.832	0.538	1.0	0.978	0.234	1.0	0.915
Compound_317	CCCCCCCC1CC1C	0.993	0.193	0.175	0.496	0.211	0.045	0.981	0.834	0.677	1.0	0.904
Compound_318	CCCCCCCCCCCC(N)C	0.321	0.025	0.1	0.412	0.034	0.117	0.002	0.071	0.871	0.92	0.108
Compound_319	CCC1OC(CC)OC(O1)C	0.635	0.115	0.285	0.61	0.053	0.075	0.995	0.958	0.542	0.832	0.329
Compound_320	CCC(C(C(O)C)C)C	0.798	0.081	0.041	0.466	0.046	0.018	0.637	0.096	0.429	0.842	0.682
Compound_321	CCCCCC[C@@H](O)C	0.92	0.036	0.059	0.562	0.067	0.044	0.92	0.525	0.259	0.972	0.523
Compound_322	CCCCCC=C(CCCC)C=O	0.964	0.083	0.773	0.626	0.121	0.16	0.963	0.96	0.83	1.0	0.983
Compound_323	CCC1CCC1	0.949	0.086	0.294	0.505	0.185	0.559	0.984	0.845	0.576	1.0	0.798
Compound_324	CCCCCCCCCCCCOCCCl	0.972	0.095	0.267	0.709	0.102	0.095	0.998	0.994	0.945	1.0	0.926
Compound_325	CCC(C(CCC(C)C)C)C	0.99	0.074	0.788	0.488	0.108	0.017	0.906	0.58	0.359	1.0	0.851
Compound_326	OCC(NCc1ccccc1)C	0.011	0.178	0.091	0.268	0.001	0.043	0.006	0.041	0.134	0.025	0.015
Compound_327	CC(CCCC(=C)C)C	0.962	0.06	0.911	0.535	0.16	0.003	0.967	0.971	0.318	0.991	0.932
Compound_328	OCCCCC(CC)C	0.844	0.047	0.106	0.479	0.056	0.027	0.926	0.143	0.106	0.844	0.52
Compound_329	CCCC(C(COC(=O)C(C)C)CC)O	0.789	0.049	0.014	0.614	0.066	0.026	0.705	0.135	0.283	0.918	0.518
Compound_330	Cc1ccccc1c1ccccc1C	0.946	0.457	0.916	0.775	0.143	0.06	0.964	0.945	0.805	0.973	0.691
Compound_331	CCCCC(CCOC(=O)C)C	0.889	0.012	0.216	0.613	0.089	0.023	0.991	0.324	0.834	0.997	0.905
Compound_332	CC(c1ccccc1)C=Cc1ccccc1	0.761	0.577	0.83	0.712	0.339	0.351	0.989	0.747	0.737	0.997	0.802
Compound_333	OCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.274	0.313	0.323	0.637	0.697	0.935	0.959	0.949	0.154	0.362	0.154
Compound_334	CCC1OCC(N1)(C)C	0.018	0.298	0.124	0.314	0.011	0.024	0.005	0.053	0.172	0.89	0.409
Compound_335	O=C(C(=O)c1ccccc1)C(=O)c1ccccc1	0.819	0.655	0.758	0.512	0.248	0.951	0.95	0.19	0.399	0.278	0.975
Compound_336	CCC(CCC1CC1C)C	0.993	0.222	0.161	0.393	0.211	0.045	0.981	0.441	0.568	1.0	0.864
Compound_337	CCCCC(C(C)C)C	0.969	0.081	0.294	0.562	0.083	0.012	0.946	0.883	0.843	0.998	0.791
Compound_338	CC=CC(=O)C	0.906	0.138	0.557	0.6	0.148	0.014	0.935	0.875	0.969	0.999	0.91
Compound_339	CCCC[C@H]1C=CC[C@H]1C=C	0.976	0.219	0.344	0.622	0.543	0.014	0.857	0.895	0.924	1.0	0.879
Compound_340	CCCCC=CCCCCCCCCO	0.981	0.15	0.123	0.558	0.28	0.077	0.951	0.632	0.174	0.95	0.615
Compound_341	CO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C	0.985	0.89	0.15	0.678	0.887	0.89	0.005	0.609	0.118	0.995	0.622
Compound_342	BrC1CC1C(C)(C)C	0.905	0.239	0.288	0.619	0.305	0.052	0.968	0.977	0.612	0.998	0.736
Compound_343	CC(=CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC1=C2CCC2[C@]1(C)CC[C@@H]([C@H]2C)O)C)C	0.968	0.96	0.021	0.619	0.891	0.879	0.008	0.897	0.317	0.992	0.584
Compound_344	CCCCCC=CCC=CCCCCCC=O	0.932	0.045	0.232	0.589	0.234	0.253	1.0	0.956	0.811	1.0	0.875
Compound_345	CCCCCCCCC1CCCC1=O	0.979	0.278	0.294	0.524	0.066	0.037	0.92	0.092	0.451	1.0	0.902
Compound_346	COC(=O)CCCCCCCCCCC1CCCC1	0.912	0.12	0.283	0.553	0.101	0.061	0.997	0.929	0.206	0.95	0.723
Compound_347	CCCCCCC(C1CCCC1=O)C	0.979	0.325	0.239	0.489	0.066	0.024	0.539	0.089	0.344	1.0	0.916
Compound_348	CCCCCCCCCCCCCCC(CC)O	0.928	0.036	0.059	0.562	0.091	0.159	0.983	0.61	0.586	0.972	0.523
Compound_349	CCOC(=O)[C@@H]1O[C@@]1(C)c1ccccc1	0.563	0.146	0.841	0.722	0.192	0.055	0.372	0.543	0.206	0.317	0.602
Compound_350	C[C@@H]1OC(=O)[C@@H](OC1=O)C	0.844	0.203	0.282	0.512	0.02	0.025	0.972	0.679	0.342	0.105	0.097
Compound_351	CC(C1CCCC1)C1CCCC1	0.993	0.196	0.175	0.489	0.213	0.048	0.853	0.753	0.727	0.998	0.709
Compound_352	C=CCCCCCCCCCC=C	0.992	0.108	0.335	0.626	0.531	0.053	0.997	0.942	0.394	1.0	0.875
Compound_353	CCCCC=CCC=CCCCC=C	0.881	0.069	0.29	0.64	0.298	0.011	0.986	0.98	0.55	1.0	0.851
Compound_354	C=C1CCC2C(C1C)CCCC2	0.992	0.433	0.482	0.559	0.43	0.016	0.464	0.958	0.753	1.0	0.913
Compound_355	CCCCCC1CCCCC1C	0.993	0.151	0.175	0.538	0.158	0.021	0.933	0.82	0.779	1.0	0.485
Compound_356	CC(=C1C2CCCC1(C)C(=O)CC2)C	0.984	0.648	0.676	0.582	0.22	0.099	0.634	0.779	0.334	1.0	0.889
Compound_357	CC1CCCC2C1CCCC2	0.993	0.317	0.175	0.522	0.262	0.061	0.633	0.752	0.719	0.999	0.561
Compound_358	C=CCC(CC(CC(C)C)C)C	0.99	0.041	0.769	0.529	0.411	0.015	0.973	0.947	0.278	0.999	0.831
Compound_359	ClCC(=CCl)Cl	0.911	0.246	0.457	0.619	0.523	0.097	0.998	0.974	0.991	0.998	0.962
Compound_360	CC(CC(C)C)CC(C)C	0.969	0.068	0.75	0.419	0.084	0.019	0.982	0.538	0.721	0.997	0.703
Compound_361	CCC1CCC(C(C1)CC)C	0.993	0.164	0.161	0.442	0.148	0.028	0.778	0.584	0.664	1.0	0.41
Compound_362	CCCC(CC(=C)C)C	0.962	0.109	0.311	0.527	0.148	0.004	0.975	0.948	0.812	1.0	0.961
Compound_363	CC(CCCC(C)C)CCCCC(C)C	0.993	0.076	0.763	0.456	0.102	0.072	0.989	0.815	0.299	0.997	0.749
Compound_364	CC(CCC#CCCC(C)C)C	0.804	0.166	0.788	0.497	0.088	0.782	0.945	0.64	0.335	0.998	0.588
Compound_365	CCCCC1CCCC(=O)C1	0.979	0.136	0.23	0.526	0.051	0.024	0.969	0.683	0.499	1.0	0.624
Compound_366	CC1CCCC2C1C1C(C)CCCC1CC2	0.993	0.298	0.175	0.5	0.607	0.343	0.981	0.753	0.85	0.998	0.55
Compound_367	CCCCC=CC=CCCCC	0.891	0.067	0.477	0.636	0.291	0.029	0.986	0.976	0.973	0.998	0.829
Compound_368	CCCCCCCCCCC#CCCCC	0.966	0.138	0.309	0.563	0.207	0.892	1.0	0.989	0.924	1.0	0.71
Compound_369	CCCCCCCC=C1C2C1CCCC2	0.997	0.274	0.505	0.63	0.411	0.037	0.982	0.959	0.883	1.0	0.802
Compound_370	CCCCCCC#CCCCCCC	0.915	0.138	0.309	0.563	0.125	0.829	0.996	0.989	0.882	1.0	0.71
Compound_371	CCC=CCCCCC=CCCCCCCCC(=O)OC	0.967	0.009	0.397	0.598	0.35	0.052	1.0	0.981	0.251	0.999	0.94
Compound_372	CCC1CCC2C(C1)CCCC2	0.993	0.333	0.175	0.455	0.274	0.075	0.621	0.803	0.602	1.0	0.813
Compound_373	CC1=C(C)CCCCCCCC1	0.999	0.203	0.702	0.532	0.381	0.346	0.99	0.977	0.924	0.998	0.517
Compound_374	C1CCCCCC=CCCCC1	0.999	0.14	0.336	0.612	0.479	0.067	0.997	0.751	0.946	0.999	0.567
Compound_375	CCC(=C(C1CCCCC1)C)CC	0.996	0.265	0.333	0.536	0.151	0.028	0.986	0.931	0.966	1.0	0.861
Compound_376	CCC(C(=C1CCCCC1)C)CC	0.964	0.265	0.557	0.529	0.115	0.017	0.944	0.923	0.875	1.0	0.861
Compound_377	CC[C@]1(C)CCC[C@H](C1)C	0.99	0.127	0.232	0.442	0.187	0.077	0.939	0.703	0.628	1.0	0.525
Compound_378	CCC1(C)CCC(CC1)C	0.99	0.127	0.273	0.457	0.222	0.094	0.951	0.616	0.592	1.0	0.525
Compound_379	CCC1C(C)CCCC1C	0.993	0.164	0.294	0.528	0.14	0.022	0.787	0.798	0.849	1.0	0.41
Compound_380	CCC1(C)CCCCC1	0.99	0.121	0.309	0.546	0.201	0.09	0.976	0.972	0.573	0.999	0.645
Compound_381	CCCCCCCCC1=CCCCC1	0.999	0.26	0.811	0.608	0.239	0.043	0.967	0.945	1.014	1.0	0.823
Compound_382	CC(=C)CC1(C)CCC(C1)(C)C	0.986	0.258	0.4	0.552	0.363	0.054	0.981	0.983	0.903	0.995	0.952
Compound_383	CC1CCC2C(C1)CCCC2	0.993	0.317	0.175	0.412	0.274	0.075	0.621	0.745	0.585	0.999	0.561
Compound_384	C1CCC(CC1)CC1CCCCC1	0.993	0.234	0.299	0.46	0.315	0.198	0.939	0.771	0.952	1.0	0.437
Compound_385	C1CCC2(C1)CCC1(CC2)CCCC1	0.993	0.34	0.332	0.526	0.429	0.218	0.716	0.902	0.893	0.999	0.589
Compound_386	CCC(CCC(C)C)(C)C	0.969	0.096	0.804	0.523	0.135	0.039	0.979	0.64	0.478	0.999	0.786
Compound_387	CC1CCC2C(C1)CCCC2C	0.993	0.298	0.175	0.44	0.274	0.075	0.621	0.761	0.671	0.998	0.55
Compound_388	CC1CCC2C(C1)CCC(C2)C	0.993	0.298	0.161	0.401	0.274	0.075	0.621	0.472	0.665	0.998	0.55
Compound_389	C1CC2CCCC3C2C(C1)CCC3	0.993	0.278	0.179	0.492	0.562	0.303	0.916	0.635	0.886	1.0	0.645
Compound_390	C1CCC2C(C1)CC1C(C2)CCCC1	0.993	0.278	0.179	0.452	0.577	0.345	0.912	0.657	0.75	1.0	0.645
Compound_391	CCCC(c1ccccc1)(C)C	0.824	0.111	0.478	0.577	0.127	0.1	0.901	0.248	0.856	0.994	0.289
Compound_392	CCCCCC(CCC(CC)C)C	0.993	0.08	0.294	0.495	0.109	0.028	0.981	0.842	0.915	1.0	0.847
Compound_393	CCCCCCCCCC(c1ccccc1)(C)C	0.947	0.151	0.478	0.583	0.187	0.18	0.982	0.55	0.976	0.999	0.5
Compound_394	CC1(CC)CC1Cl	0.962	0.394	0.371	0.633	0.368	0.144	0.986	0.962	0.534	0.999	0.793
Compound_395	CC1CCC23C1CC(C3(C)C)CCC2	0.993	0.321	0.094	0.505	0.439	0.129	0.475	0.717	0.547	0.995	0.266
Compound_396	CCC(C(C)(C)C)(C)C	0.909	0.04	0.287	0.516	0.102	0.017	0.903	0.816	0.807	0.999	0.711
Compound_397	O=C1NC(C(=O)N1)C	0.061	0.145	0.199	0.299	0.041	0.019	0.0	0.011	0.391	0.3	0.468
Compound_398	CCC(CCCC(C)C)C	0.99	0.074	0.763	0.449	0.109	0.028	0.981	0.798	0.388	1.0	0.851
Compound_399	ICCc1ccccc1	0.729	0.206	0.697	0.671	0.209	0.229	0.999	0.682	0.632	0.99	0.549
Compound_400	N#CCCC1CCC(c2c1cccc2)C#N	0.768	0.329	0.231	0.513	0.46	0.139	0.8	0.567	0.615	0.981	0.97
Compound_401	CCC=C(CC)C	0.902	0.111	0.428	0.579	0.059	0.001	0.966	0.925	0.906	1.0	0.959
Compound_402	CCCC(=CC)C	0.901	0.114	0.76	0.589	0.06	0.002	0.966	0.948	0.907	0.999	0.954
Compound_403	CCCCCCCC=CC(C)C	0.997	0.063	0.347	0.643	0.363	0.024	0.985	0.832	0.98	1.0	0.905
Compound_404	C=CCC(c1ccccc1)C	0.692	0.227	0.526	0.663	0.058	0.029	0.949	0.932	0.252	0.997	0.249
Compound_405	C=CCC(C(C)C)OC(c1ccccc1)C	0.389	0.179	0.423	0.665	0.059	0.161	0.965	0.953	0.149	0.968	0.522
Compound_406	O=N(=O)C1C(C)C2CCCC(C1C)(C2=O)C	0.907	0.704	0.276	0.46	0.194	0.421	0.018	0.31	0.378	0.638	0.845
Compound_407	C1CC(C1c1ccccc1)c1ccccc1	0.674	0.564	0.389	0.505	0.732	0.64	0.995	0.69	0.349	0.983	0.681
Compound_408	CCCCC(CC)CC	0.969	0.08	0.294	0.555	0.076	0.021	0.987	0.885	0.912	1.0	0.847
Compound_409	O=NN1CCC1	0.12	0.254	0.167	0.455	0.095	0.289	0.076	0.921	0.699	0.78	0.549
Compound_410	c1ccc(cc1)C1CCc2c(C1)cccc2	0.589	0.529	0.675	0.505	0.626	0.713	0.994	0.716	0.434	0.997	0.927
Compound_411	c1ccc(cc1)C1=CCCc2c1cccc2	0.6	0.658	0.446	0.601	0.417	0.559	0.989	0.872	0.891	0.992	0.979
Compound_412	CC1(OC1)c1ccccc1	0.499	0.281	0.758	0.541	0.25	0.206	0.834	0.179	0.473	0.956	0.781
Compound_413	Cc1ccc(cc1)CS(=O)(=O)c1cccs1	0.717	0.607	0.512	0.486	0.428	0.662	0.989	0.677	0.656	0.93	0.106
Compound_414	C1CCC(=CC1)C12CC3CC(C2)CC(C1)C3	0.999	0.442	0.779	0.563	0.902	0.583	0.986	0.777	0.087	0.998	0.903
Compound_415	CC(=CC(c1ccccc1)(C)C)c1ccccc1	0.842	0.499	0.786	0.523	0.454	0.553	0.991	0.85	0.895	0.998	0.962
Compound_416	O=S1(=O)CCCC(C1)c1ccccc1	0.657	0.399	0.274	0.453	0.153	0.09	0.867	0.64	0.387	0.961	0.184
Compound_417	CCCCC(OC(=O)C=C)CCC	1.003	0.009	0.1	0.638	0.821	0.522	0.999	0.996	0.821	1.0	0.889
Compound_418	N#CC1CCC=CC1	0.95	0.197	0.287	0.622	0.506	0.09	0.929	0.815	0.788	0.996	0.841
Compound_419	ICCCCCc1ccccc1	0.824	0.179	0.449	0.687	0.227	0.216	0.998	0.937	0.638	0.998	0.588
Compound_420	CCC(C(C)C)CC(C)C	0.949	0.074	0.605	0.445	0.071	0.011	0.919	0.429	0.71	0.999	0.78
Compound_421	CCCCCCCCCCCCCC(=O)OC=C	0.897	0.008	0.341	0.615	0.272	0.045	0.999	0.979	0.149	1.0	0.905
Compound_422	N#CC(C(=C)C)(Cc1ccccc1)C#N	0.871	0.477	0.517	0.577	0.392	0.127	0.831	0.981	0.766	0.629	0.859
Compound_423	N#CC(C1CCCCC1C)(C1CCCCC1)C#N	0.996	0.435	0.114	0.545	0.758	0.238	0.529	0.906	0.628	0.857	0.815
Compound_424	CC=Cc1ccccc1	0.929	0.234	0.876	0.745	0.039	0.041	0.995	0.881	0.967	0.997	0.202
Compound_425	CCCC(OCCCC)OCCCC	0.734	0.057	0.167	0.566	0.057	0.081	0.997	0.711	0.669	0.999	0.894
Compound_426	O=C1CCC2(C1(C)CCc1c2cccc1)C	0.831	0.849	0.645	0.48	0.221	0.562	0.003	0.523	0.251	0.998	0.96
Compound_427	CCCCCCC=CCCC	0.982	0.053	0.331	0.625	0.34	0.022	0.997	0.952	0.996	1.0	0.845
Compound_428	CC1C2CCCC1CCC2	0.993	0.327	0.175	0.489	0.262	0.061	0.633	0.753	0.665	0.999	0.618
Compound_429	c1ccc(cc1)CCC=Cc1ccccc1	0.749	0.636	0.502	0.718	0.376	0.695	0.999	0.886	0.874	0.991	0.791
Compound_430	CC[C@@H]1CCC[C@@H]1C	0.99	0.218	0.175	0.493	0.202	0.076	0.701	0.711	0.782	1.0	0.839
Compound_431	CC1CCCC(C1C)(C)C	0.99	0.1	0.519	0.53	0.217	0.042	0.841	0.537	0.824	0.994	0.238
Compound_432	C[C@@H]1C[C@@H](C)CC(C1)(C)C	0.969	0.09	0.194	0.384	0.148	0.058	0.919	0.429	0.834	0.997	0.236
Compound_433	COC1(OC)CCCCC1	0.872	0.208	0.203	0.462	0.073	0.078	0.998	0.889	0.384	0.93	0.5
Compound_434	CCC1CCCCCCC1	0.993	0.086	0.294	0.505	0.11	0.028	0.981	0.845	0.672	1.0	0.495
Compound_435	CC1CCC(C=C1)C(C)C	0.967	0.131	0.293	0.605	0.329	0.022	0.848	0.867	0.847	0.977	0.253
Compound_436	c1ccc(nc1)Sc1ccccn1	0.32	0.593	0.249	0.506	0.203	0.594	0.736	0.099	0.971	0.937	0.872
Compound_437	CCCCCCCCCCCCOCCOCCOC(=O)C	0.963	0.012	0.131	0.74	0.248	0.319	0.999	0.811	0.935	0.997	0.775
Compound_438	CCCCCCC=CCCCCC	0.982	0.053	0.331	0.625	0.34	0.022	0.997	0.952	0.996	1.0	0.845
Compound_439	CCC(CC(O)C)C	0.798	0.043	0.041	0.436	0.026	0.016	0.695	0.101	0.243	0.695	0.5
Compound_440	CC1=CC[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@H]3C	0.998	0.335	0.355	0.591	0.598	0.169	0.052	0.938	0.605	0.996	0.605
Compound_441	CC1CCCCCCCCC1	0.993	0.097	0.294	0.456	0.366	0.36	0.981	0.817	0.841	0.999	0.487
Compound_442	CC(CC1CCCCC1)(O)C	0.917	0.154	0.124	0.517	0.114	0.035	0.832	0.428	0.618	0.622	0.231
Compound_443	C[C@H]1CC[C@@](C1(C)C)(C)C(=O)C	0.976	0.209	0.096	0.404	0.147	0.116	0.209	0.027	0.206	0.966	0.729
Compound_444	CO[Si]12OCCN(CCO1)CCO2	0.109	0.314	0.084	0.084	0.015	0.081	0.024	0.406	0.386	0.055	0.481
Compound_445	CCCCCC(CCCCC)N	0.291	0.025	0.1	0.412	0.034	0.117	0.002	0.073	0.858	0.92	0.108
Compound_446	CCCCCCCC(CCCCCC)O	0.928	0.036	0.059	0.567	0.067	0.044	0.92	0.622	0.486	0.972	0.523
Compound_447	CC(C1(C)CCCCC1)C	0.99	0.108	0.371	0.575	0.209	0.05	0.886	0.911	0.645	0.994	0.265
Compound_448	CCC1CCCCCCC1CC	0.993	0.153	0.175	0.487	0.109	0.017	0.906	0.711	0.668	1.0	0.489
Compound_449	CC(=C1C(C1(C)C)(C)C)C	0.91	0.298	0.641	0.534	0.223	0.02	0.857	0.928	0.898	0.999	0.96
Compound_450	CC(=O)C1(C)CCCCC1	0.976	0.116	0.373	0.516	0.088	0.048	0.949	0.623	0.39	0.994	0.602
Compound_451	CC1CCC2C1C1C(C1(C)C)CCC2C	0.993	0.315	0.161	0.592	0.461	0.179	0.69	0.668	0.499	0.996	0.623
Compound_452	NC1C=CC2(C(C1)CCCC2)C	0.582	0.423	0.089	0.537	0.278	0.253	0.005	0.308	0.888	0.081	0.127
Compound_453	CCCC(CCCC(CC)C)C	0.993	0.08	0.294	0.495	0.109	0.028	0.981	0.842	0.817	1.0	0.847
Compound_454	O=CC1(C)CCC(=C(C1)C)C	0.955	0.207	0.61	0.55	0.109	0.446	0.916	0.939	0.736	1.0	0.82
Compound_455	CCCCCCCCCCCC#CC=CCC	0.948	0.141	0.23	0.607	0.508	0.84	1.0	0.899	0.951	1.0	0.722
Compound_456	CCCCCCCCCC#CC=CCCC	0.927	0.141	0.331	0.613	0.5	0.833	1.0	0.953	0.951	1.0	0.722
Compound_457	OCC12CCCCC2CCCC1	0.948	0.357	0.108	0.5	0.37	0.315	0.697	0.418	0.272	0.834	0.681
Compound_458	CCCCCCC(CCCCC)O	0.929	0.036	0.059	0.567	0.067	0.044	0.92	0.622	0.465	0.972	0.523
Compound_459	COC(=O)CCCCC=CCCCCCCC1CCC=C1	0.951	0.143	0.36	0.651	0.535	0.05	0.997	0.979	0.282	0.996	0.813
Compound_460	C=CC1C2C1(C)COC2(C)C	0.892	0.268	0.111	0.673	0.568	0.104	0.95	0.871	0.667	0.976	0.601
Compound_461	C[C@@H]1CC[C@@H]2C[C@H]1C2(C)C	0.993	0.386	0.161	0.51	0.558	0.588	0.714	0.648	0.565	0.997	0.518
Compound_462	C[C@H]1CC[C@H]2[C@@H](C1)C2(C)C	0.99	0.202	0.161	0.478	0.335	0.08	0.752	0.646	0.681	0.997	0.264
Compound_463	CC(=C1C2C1CCCCCC2)C	0.996	0.202	0.442	0.507	0.254	0.032	0.977	0.943	0.643	0.998	0.958
Compound_464	CC[C@@H]1CCCC[C@H]1CC1CCCCC1	0.993	0.298	0.175	0.455	0.291	0.06	0.866	0.803	0.807	1.0	0.638
Compound_465	CCCC1CCCC(C1)C	0.993	0.092	0.294	0.474	0.119	0.044	0.915	0.905	0.837	1.0	0.493
Compound_466	CCCC(C1CCC(CC1)C)C	0.993	0.108	0.161	0.472	0.142	0.032	0.912	0.497	0.749	1.0	0.419
Compound_467	CCC(C1CCCCCCC1)C	0.993	0.073	0.175	0.493	0.109	0.017	0.906	0.711	0.666	1.0	0.488
Compound_468	C=CC[C@@H]1CCC[C@H]1C	0.99	0.179	0.19	0.623	0.569	0.047	0.649	0.912	0.287	0.998	0.837
Compound_469	C=CCCCCCCCCCN(=O)=O	0.954	0.134	0.298	0.618	0.429	0.657	0.708	0.988	0.487	0.971	0.796
Compound_470	CCCCCCCCCCCC(C)C	0.993	0.074	0.763	0.557	0.107	0.025	0.981	0.882	0.603	1.0	0.851
Compound_471	CCCCCCCCC=CCCCCCCCC	0.999	0.053	0.331	0.625	0.5	0.167	1.0	0.952	1.013	1.0	0.845
Compound_472	CCCCCC(CCC=C)C	0.992	0.056	0.315	0.631	0.411	0.015	0.973	0.953	0.426	1.0	0.924
Compound_473	C=CCCCC(CC)C	0.966	0.056	0.315	0.599	0.317	0.011	0.986	0.922	0.391	1.0	0.924
Compound_474	CC=C(CC(C)C)C	0.901	0.057	0.881	0.603	0.138	0.004	0.863	0.937	0.759	0.996	0.934
Compound_475	CCCCCCCCCC=CCC	0.998	0.053	0.23	0.608	0.408	0.032	0.996	0.913	1.013	1.0	0.845
Compound_476	CCC(CC(C(C)(C)C)C)CC	0.969	0.069	0.196	0.43	0.135	0.024	0.937	0.632	0.843	0.999	0.734
Compound_477	CCCCCCCCCCOP(OCCCCCCCCCC)[O-]	0.961	0.07	0.263	0.639	0.156	0.074	1.0	0.948	0.833	0.999	0.787
Compound_478	CC(=O)C1CCCC1(C)C	0.976	0.239	0.506	0.508	0.159	0.088	0.209	0.207	0.304	0.985	0.747
Compound_479	CCCNNCCC	0.132	0.088	0.222	0.511	0.071	0.171	0.002	0.778	0.523	0.765	0.456
Compound_480	CCCCC(COC(=O)c1cccc(c1)C)CC	0.681	0.103	0.228	0.59	0.083	0.24	0.964	0.018	0.715	0.992	0.606
Compound_481	COC(=O)C(CCCC(CCCC(CCCC(C)C)C)C)C	0.912	0.011	0.947	0.468	0.067	0.025	0.998	0.907	0.067	0.972	0.697
Compound_482	O=C(C(C)(C)C)c1ccc(cc1)C(C)(C)C	0.908	0.087	0.859	0.439	0.064	0.342	0.28	0.462	0.465	0.985	0.526
Compound_483	C1C2CC3C4C1C1C(C2)C3CC(C1)C4	0.993	0.305	0.236	0.477	0.861	0.584	0.945	0.616	0.498	1.0	0.719
Compound_484	CCCCCCCC(=O)Oc1ccccc1	0.857	0.218	0.471	0.657	0.386	0.023	0.97	0.835	0.298	0.997	0.53
Compound_485	C#CCCCCCCCCCCC(=O)OC	0.951	0.116	0.296	0.518	0.075	0.204	0.995	0.954	0.277	0.975	0.648
Compound_486	CC#CCC#CCCCCCCCCCCCC(=O)OC	0.891	0.106	0.291	0.571	0.1	0.758	0.999	0.937	0.277	0.969	0.629
Compound_487	C#CCCCCCCCCCCCC(=O)OC	0.951	0.116	0.296	0.518	0.075	0.204	0.995	0.954	0.277	0.975	0.648
Compound_488	OC(C(C(C)C)O)C(C)C	0.76	0.196	0.046	0.469	0.095	0.064	0.811	0.029	0.353	0.604	0.652
Compound_489	CCCCCC(CCCC(C)C)C	0.993	0.074	0.763	0.501	0.109	0.028	0.981	0.867	0.408	1.0	0.851
Compound_490	CCCCC1C(C)CCCC1(C)C	0.993	0.157	0.355	0.627	0.217	0.042	0.841	0.909	0.887	1.0	0.493
Compound_491	C=CCC(C(C)C)O	0.79	0.058	0.078	0.603	0.111	0.007	0.858	0.932	0.06	0.545	0.617
Compound_492	CCCCCCC1C=CC(C1)(C)C	0.999	0.206	0.126	0.642	0.656	0.046	0.98	0.738	0.977	1.0	0.894
Compound_493	CCC1CC1CC1CC1CC1CC1C(=O)OC	0.912	0.237	0.107	0.483	0.411	0.112	0.988	0.76	0.292	0.997	0.894
Compound_494	CC(COC(=O)Oc1ccccc1)C	0.77	0.139	0.625	0.702	0.216	0.126	0.783	0.119	0.538	0.393	0.223
Compound_495	C#CCCCCCCCCC(=O)OC	0.951	0.116	0.296	0.518	0.075	0.204	0.995	0.954	0.277	0.975	0.648
Compound_496	CC(CCCC(C(C)C)C)C	0.99	0.081	0.763	0.514	0.108	0.017	0.906	0.829	0.292	0.984	0.689
Compound_497	C=C1CC[C@@H]2[C@H]([C@@H]3[C@H]1CC[C@]3(C)O)C2(C)C	0.931	0.649	0.038	0.521	0.625	0.152	0.704	0.937	0.368	0.953	0.91
Compound_498	C=C[C@]1(C)CC[C@H](C[C@H]1C(=C)C)C(=C)C	0.987	0.202	0.451	0.61	0.551	0.032	0.6	0.99	0.834	0.998	0.811
Compound_499	CCCCCOCC=C	0.963	0.09	0.191	0.662	0.444	0.172	0.991	0.984	0.467	1.0	0.873
Compound_500	CCCCCCCC(=O)C(=O)OC	0.9	0.022	0.237	0.56	0.013	0.021	0.996	0.862	0.189	0.968	0.814
Compound_501	CCC(OC(=O)C(CC(C(=O)OC(CC)C)C)C)C	0.684	0.041	0.502	0.494	0.081	0.016	0.977	0.269	0.511	0.813	0.764
Compound_502	CC(CCC#CC(C)(C)C)C	0.854	0.157	0.804	0.502	0.112	0.82	0.945	0.689	0.394	0.981	0.557
Compound_503	CC1CCCC(C)C=CC(=C(C)C)CC1	0.997	0.119	0.837	0.592	0.526	0.404	0.967	0.88	0.902	0.997	0.515
Compound_504	CCCCC=C/C=C/CCCCCC=C	0.972	0.069	0.477	0.655	0.333	0.054	0.997	0.988	0.556	1.0	0.851
Compound_505	CCCCC1CCC2C(C1)CCCC2	0.993	0.271	0.175	0.5	0.274	0.075	0.621	0.87	0.639	1.0	0.725
Compound_506	CCCCC=CC(CCCC)C=C	0.913	0.064	0.344	0.666	0.256	0.012	0.965	0.933	0.929	1.0	0.891
Compound_507	C=CCCCCC1CC1I	0.987	0.287	0.39	0.729	0.684	0.219	0.994	0.945	0.352	1.0	0.696
Compound_508	OC1C2CCC1C1C2CC=C1	0.961	0.402	0.123	0.514	0.769	0.152	0.793	0.494	0.412	0.939	0.338
Compound_509	CC(CCC(C)C)CCCC(C)C	0.993	0.076	0.763	0.456	0.109	0.028	0.981	0.815	0.303	0.997	0.749
Compound_510	CCCCCC(CC=CC)C	0.994	0.071	0.397	0.563	0.369	0.022	0.973	0.725	0.946	1.0	0.898
Compound_511	CCCC(CC(CC)C)C	0.99	0.08	0.273	0.452	0.109	0.028	0.981	0.609	0.813	1.0	0.847
Compound_512	CC(CCC(C(C)C)C)C	0.969	0.081	0.788	0.496	0.083	0.012	0.946	0.606	0.26	0.984	0.689
Compound_513	CC(C(CC(C)(C)C)(C)C)(CC(C)(C)C)C	0.989	0.047	0.287	0.502	0.213	0.174	0.982	0.816	0.831	0.997	0.653
Compound_514	CCCCC(CC(C)(C)C)(C)C	0.99	0.108	0.329	0.596	0.164	0.062	0.984	0.986	0.883	1.0	0.827
Compound_515	CCCCCCC(C)(C)C	0.99	0.108	0.309	0.592	0.161	0.059	0.984	0.987	0.961	1.0	0.827
Compound_516	COc1ccccc1C(=O)OC1CCCCC1	0.443	0.415	0.45	0.595	0.212	0.113	0.704	0.078	0.661	0.89	0.335
Compound_517	CCCCC=C/C=C/CCCCCCCCC=C	0.99	0.069	0.477	0.655	0.489	0.335	1.0	0.988	0.59	1.0	0.851
Compound_518	CC1CCC(C(=O)C1)C(=C)C	0.974	0.266	0.204	0.452	0.12	0.008	0.823	0.971	0.486	1.0	0.85
Compound_519	CC1CCC(=C(C)C)CC1	0.971	0.184	0.608	0.459	0.115	0.019	0.983	0.812	0.865	0.995	0.675
Compound_520	C=C[C@@]1(C)CCC(=C(C)C)C[C@@H]1C(=C)C	0.985	0.19	0.729	0.635	0.538	0.035	0.856	0.988	0.874	0.997	0.798
Compound_521	CCC(OC(=O)c1cccc(c1)C)C	0.387	0.098	0.43	0.647	0.052	0.17	0.875	0.104	0.679	0.813	0.247
Compound_522	CCCCCCCCNC=O	0.254	0.047	0.156	0.354	0.021	0.329	0.007	0.596	0.968	0.902	0.256
Compound_523	CCCCC(CC=C)C	0.966	0.056	0.315	0.622	0.317	0.011	0.986	0.938	0.396	1.0	0.924
Compound_524	NC(=O)c1ccc(cc1)C(C)(C)C	0.744	0.174	0.187	0.322	0.013	0.389	0.814	0.057	0.804	0.03	0.12
Compound_525	CCCCCCC=CCCCC	0.982	0.053	0.331	0.625	0.34	0.022	0.997	0.952	0.996	1.0	0.845
Compound_526	OC(=O)Oc1ccccc1CC(C)(C)C	0.485	0.173	0.187	0.299	0.392	0.44	0.293	0.066	0.63	0.613	0.224
Compound_527	CCCCC(COC(=O)C1CC1)CC	0.825	0.125	0.125	0.66	0.142	0.029	0.988	0.391	0.577	0.999	0.9
Compound_528	CCCCCCCN=C=O	0.917	0.11	0.498	0.567	0.036	0.306	0.427	0.901	0.934	0.981	0.678
Compound_529	CCCCCCCCCCC(CC)C	0.993	0.08	0.294	0.495	0.109	0.028	0.981	0.842	0.979	1.0	0.847
Compound_530	CCCCC(C(O)C)C	0.834	0.098	0.056	0.536	0.043	0.03	0.867	0.29	0.338	0.759	0.512
Compound_531	CC(C(C(=O)O)(C(C)C)C)C	0.514	0.025	0.025	0.155	0.155	0.007	0.751	0.138	0.151	0.199	0.647
Compound_532	CCCCCCC(=C)C(C)C	0.99	0.063	0.594	0.594	0.204	0.005	0.973	0.987	0.956	1.0	0.969
Compound_533	CCCCCCC1CCC(C1)C	0.993	0.162	0.294	0.474	0.151	0.075	0.969	0.905	0.933	1.0	0.851
Compound_534	OCC[C@H](CCCC(C)C)C	0.919	0.111	0.616	0.463	0.063	0.041	0.923	0.148	0.038	0.144	0.538
Compound_535	CC(=C1C=NNC1(C)C)C	0.31	0.457	0.762	0.519	0.031	0.069	0.018	0.801	0.378	0.644	0.73
Compound_536	CCCCOC(=O)c1ccccc1C(=O)OC	0.882	0.133	0.263	0.563	0.068	0.039	0.974	0.019	0.702	0.197	0.572
Compound_537	ClCC(=O)OC1CCCCC1	0.898	0.143	0.073	0.627	0.321	0.087	0.995	0.962	0.855	0.992	0.785
Compound_538	CCC(CCC(=C)CC)C	0.986	0.109	0.305	0.468	0.208	0.006	0.973	0.93	0.865	1.0	0.961
Compound_539	CCCOc1nn(c(=O)n1C)C(=O)[N-]S(=O)(=O)c1ccccc1C(=O)OC	0.438	0.428	0.114	0.498	0.096	0.598	0.015	0.013	0.357	0.096	0.281
Compound_540	FC(C(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.784	0.12	0.55	0.744	0.106	0.067	0.984	0.224	0.337	0.997	0.251
Compound_541	O=[Si]=O	0.914	0.183	0.428	0.503	0.648	0.184	0.74	0.98	0.948	0.999	0.904
Compound_542	C([2H])(C(C(c1ccccc1)([2H])[2H])(N)[2H])([2H])[2H]	0.094	0.116	0.494	0.43	0.006	0.123	0.01	0.02	0.694	0.407	0.022
Compound_543	CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C	0.336	0.645	0.417	0.589	0.6	0.461	0.981	0.997	0.396	0.989	0.902
Compound_544	N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)C=C(C(F)(F)F)Cl	0.952	0.506	0.824	0.812	0.975	0.333	0.818	0.15	0.366	0.906	0.54
Compound_545	COC=C([C@H]1CC2N(C[C@H]1CC)CCc1c2[nH]c2c1c(OC)ccc2)C(=O)OC	0.589	0.732	0.436	0.285	0.69	0.679	0.513	0.639	0.383	0.872	0.907
Compound_546	OCC(=O)[C@@]1(O)CCC2C1(C)CC(=O)C1C2CCC2C1(C)CC[C@H](C2)O	0.789	0.907	0.006	0.559	0.068	0.223	0.004	0.06	0.141	0.009	0.402
Compound_547	OC(=O)C(OP(=O)(O)O)COP(=O)(O)O	0.396	0.15	0.005	0.211	0.153	0.294	0.079	0.033	0.081	0.009	0.179
Compound_548	OC(=O)C=CC=CC(=O)O	0.673	0.07	0.106	0.3	0.535	0.069	0.894	0.846	0.873	0.317	0.843
Compound_549	CC(C(=O)O)NC(=O)C(N)C	0.0	0.129	0.005	0.149	0.029	0.0	0.0	0.002	0.268	0.015	0.086
Compound_550	NC(=O)CCC(C(=O)O)N	0.003	0.01	0.002	0.143	0.017	0.008	0.0	0.001	0.154	0.0	0.02
Compound_551	O=C1NC(=O)NC(C1)C(=O)O	0.037	0.199	0.014	0.157	0.106	0.017	0.001	0.081	0.381	0.227	0.079
Compound_552	OC1C(O)COC1=O	0.581	0.192	0.032	0.592	0.08	0.171	0.044	0.413	0.319	0.172	0.014
Compound_553	CC(=O)NCCCCC(C(=O)O)N	0.012	0.059	0.003	0.155	0.012	0.005	0.0	0.002	0.332	0.001	0.013
Compound_554	CC(C(=O)c1ccccc1)N	0.21	0.101	0.427	0.431	0.003	0.159	0.005	0.033	0.47	0.389	0.142
Compound_555	CC(Cc1ccccc1)NCC#C	0.033	0.179	0.018	0.204	0.006	0.224	0.003	0.005	0.439	0.059	0.112
Compound_556	O=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C	0.991	0.189	0.954	0.731	0.586	0.913	0.999	0.98	0.986	0.999	0.789
Compound_557	CC(N(CC#C)C)Cc1ccccc1	0.037	0.334	0.064	0.036	0.012	0.403	0.001	0.006	0.428	0.059	0.115
Compound_558	CCCc1nn(c2c1[nH]c(nc2=S)c1cc(ccc1OCC)S(=O)(=O)N1CC(C)NC(C1)C)C	0.635	0.722	0.039	0.324	0.284	0.664	0.126	0.696	0.305	0.677	0.191
Compound_559	C/C=C/1\N(C)C(CC1(c1ccccc1)c1ccccc1)C	0.152	0.692	0.072	0.338	0.174	0.702	0.183	0.645	0.331	0.015	0.5
Compound_560	OC(=O)C1=CC=CC1[Fe]C1C=CC=C1C(=O)O	0.599	0.373	0.194	0.282	0.706	0.601	0.946	0.782	0.577	0.751	0.634
Compound_561	O=C(c1ccccc1)OC1CC2CCC(C1C(=O)O)N2	0.045	0.488	0.051	0.25	0.012	0.101	0.039	0.005	0.053	0.162	0.097
Compound_562	OCC(=O)C(C(COP(=O)(O)O)O)O	0.367	0.172	0.003	0.334	0.081	0.173	0.05	0.007	0.121	0.208	0.126
Compound_563	OCC(C(C(C(C(=O)O)O)O)O)O	0.177	0.074	0.009	0.171	0.071	0.088	0.007	0.12	0.002	0.089	0.043
Compound_564	OCC1OC(OP(=O)(OP(=O)(OCC2OC(C(C2O)O)n2cnc3c2[nH]c(N)nc3=O)O)O)C(C(C1O)O)O	0.471	0.58	0.066	0.5	0.309	0.623	0.001	0.006	0.368	0.053	0.555
Compound_565	CCC(C(=O)O)N	0.01	0.02	0.02	0.131	0.021	0.0	0.001	0.001	0.041	0.001	0.025
Compound_566	OCC1OC(O)C(C(C1O)O)N	0.038	0.355	0.007	0.343	0.011	0.112	0.001	0.32	0.125	0.009	0.067
Compound_567	C[Se]CC(C(=O)O)N	0.029	0.043	0.02	0.168	0.026	0.103	0.0	0.001	0.05	0.001	0.648
Compound_568	CCC(C(=O)O)N	0.01	0.02	0.02	0.131	0.021	0.0	0.001	0.001	0.041	0.001	0.025
Compound_569	CC(OC(=O)NC(C(=O)NC(c1nc2c(s1)cc(cc2)F)C)C(C)C)C	0.524	0.577	0.993	0.421	0.421	0.723	0.144	0.749	0.46	0.59	0.704
Compound_570	BrC=C(c1ccc(cc1Cl)Cl)OP(=O)(OC)OC	0.942	0.918	0.851	0.853	0.685	0.374	0.974	0.992	0.589	0.99	0.855
Compound_571	CON=C(c1csc(n1)N)C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nc(=O)c(=O)[nH]n1C	0.595	0.28	0.004	0.182	0.422	0.653	0.001	0.164	0.081	0.012	0.212
Compound_572	CCC(=O)N(C1CCN(CC1C)CCc1ccccc1)c1ccccc1	0.389	0.522	0.045	0.201	0.133	0.821	0.003	0.05	0.171	0.487	0.098
Compound_573	CNC1(CCCCC1=O)c1ccccc1Cl	0.219	0.206	0.329	0.468	0.101	0.098	0.045	0.322	0.058	0.159	0.594
Compound_574	OCC(CN1CCN(CC1)c1ccccc1)O	0.06	0.386	0.294	0.088	0.143	0.062	0.005	0.012	0.312	0.025	0.213
Compound_575	CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC	0.053	0.399	0.221	0.107	0.573	0.214	0.015	0.155	0.767	0.87	0.087
Compound_576	CC(C(=O)c1ccccc1)N	0.21	0.101	0.427	0.431	0.003	0.159	0.005	0.033	0.47	0.389	0.142
Compound_577	OCC(c1ccccc1)C(=O)OC1CC2C3C(C(C1)[N+]2(C)C)O3	0.044	0.541	0.013	0.332	0.297	0.049	0.001	0.009	0.066	0.001	0.087
Compound_578	CC(CO)N	0.036	0.088	0.035	0.339	0.015	0.017	0.002	0.026	0.379	0.003	0.127
Compound_579	OCC1OC(O)C(C(C1O)O)NC(=O)C	0.036	0.337	0.008	0.244	0.012	0.06	0.002	0.094	0.253	0.016	0.019
Compound_580	OCC1C(O)CCN1c1ncc(c(c1)c1ccc(cc1C)F)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C	0.35	0.656	0.393	0.603	0.557	0.57	0.49	0.959	0.398	0.482	0.208
Compound_581	c1ccc(cc1)[As+](c1ccccc1)(c1ccccc1)c1ccccc1	0.713	0.519	0.784	0.547	0.862	0.735	0.999	0.836	0.979	0.998	0.715
Compound_582	CN(C=CC(=O)c1cccnc1)C	0.077	0.229	0.489	0.37	0.009	0.039	0.0	0.397	0.129	0.049	0.152
Compound_583	CCCCCC(C=CC1C(O)CC2C1CC(O2)CCCCC(=O)O)O	0.958	0.652	0.014	0.195	0.928	0.726	0.817	0.347	0.091	0.99	0.103
Compound_584	CCCCCC(C=CC1C(O)CC(C1CC=CCCCC(=O)O)O)O	0.967	0.704	0.205	0.114	0.885	0.707	0.448	0.473	0.22	0.976	0.07
Compound_585	OC(=O)CCCC=CCC1C(O)CC(C1C=CC(C1Cc2c(C1)cccc2)O)F	0.633	0.481	0.423	0.377	0.701	0.266	0.648	0.128	0.214	0.972	0.055
Compound_586	CCCCCC(C=CC1CCC(C1CCCCCCC(=O)O)O)O	0.926	0.661	0.187	0.134	0.835	0.328	0.515	0.582	0.054	0.978	0.05
Compound_587	OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)Cl)O)O	0.757	0.391	0.467	0.422	0.919	0.702	0.637	0.238	0.246	0.932	0.191
Compound_588	CCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.824	0.647	0.068	0.544	0.77	0.848	0.195	0.266	0.429	0.997	0.87
Compound_589	O=C(CC1Sc2ccccc2NC1=O)NNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.505	0.487	0.971	0.655	0.807	0.658	0.802	0.916	0.433	0.031	0.5
Compound_590	C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1	0.027	0.597	0.076	0.165	0.105	0.901	0.013	0.438	0.43	0.029	0.158
Compound_591	C1CCC(CC1)N1CCN(CC1)C(c1ccccc1)Cc1ccccc1	0.027	0.597	0.076	0.165	0.105	0.901	0.013	0.438	0.43	0.029	0.158
Compound_592	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C)C)C)C	0.949	0.113	0.118	0.731	0.99	0.935	0.953	0.987	0.716	0.958	0.551
Compound_593	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C)C)C	0.949	0.113	0.118	0.731	0.945	0.952	0.953	0.987	0.716	0.958	0.551
Compound_594	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.209	0.191	0.992	0.515	0.536	0.991	0.881
Compound_595	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.67	0.426	0.992	0.515	0.536	0.991	0.881
Compound_596	C=CC(=O)OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(OCC(O)C)C)C)C)C)C)C)C)C)C	0.949	0.113	0.118	0.731	0.945	0.952	0.953	0.987	0.716	0.958	0.551
Compound_597	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.209	0.191	0.992	0.515	0.536	0.991	0.881
Compound_598	CCCCC(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C(CCCC)CC)CC	0.888	0.001	0.164	0.692	0.67	0.426	0.992	0.515	0.536	0.991	0.881
Compound_599	CCCCCCCC/C=C/CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCO	0.964	0.211	0.112	0.72	0.731	0.613	0.913	0.884	0.235	0.958	0.407
Compound_600	CCCCCCCCC=CCCCCCCCC(=O)OCCOCCOCCO	0.964	0.211	0.112	0.72	0.549	0.458	0.922	0.884	0.235	0.958	0.407
Compound_601	OC(=O)C1NCc2c(C1)cccc2	0.047	0.27	0.159	0.188	0.017	0.005	0.001	0.008	0.213	0.009	0.063
Compound_602	CNC(C(c1ccccc1)Cl)C	0.061	0.145	0.569	0.352	0.122	0.22	0.007	0.492	0.291	0.83	0.107
Compound_603	CCCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.832	0.647	0.068	0.544	0.77	0.848	0.195	0.266	0.437	0.997	0.87
Compound_604	Oc1ccc(cc1)C1COc2c(C1)ccc(c2)O	0.24	0.819	0.746	0.614	0.962	0.895	0.93	0.647	0.238	0.464	0.955
Compound_605	Oc1ccc(cc1)C=Cc1cc(O)cc(c1)O	0.916	0.856	0.854	0.721	0.905	0.898	0.991	0.987	0.95	0.215	0.794
Compound_606	CC=CCC(C(C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C	0.09	0.438	0.04	0.199	0.295	0.508	0.002	0.954	0.351	0.324	0.475
Compound_607	CCCCCCC(c1ccc(c(c1)O)C1CCCC(C1)O)(C)C	0.824	0.647	0.068	0.544	0.77	0.848	0.195	0.266	0.429	0.997	0.87
Compound_608	COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)O	0.331	0.795	0.533	0.527	0.932	0.545	0.331	0.344	0.334	0.023	0.622
Compound_609	CN(c1ccc(cc1)C(=O)NNC(=S)NC1CC2CC1C=C2)C	0.422	0.522	0.493	0.483	0.489	0.603	0.1	0.572	0.488	0.909	0.295
Compound_610	C=CCN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)O)C1=O	0.525	0.494	0.025	0.265	0.369	0.368	0.967	0.307	0.423	0.869	0.382
Compound_611	COCCCNC(=S)NNC(=S)Nc1cccc(c1)Cl	0.413	0.492	0.222	0.332	0.423	0.646	0.009	0.647	0.526	0.206	0.415
Compound_612	COCCCNC1=NC(=O)C(S1)CC(=O)Nc1ccc(cc1)Cl	0.317	0.548	0.853	0.611	0.27	0.505	0.006	0.454	0.387	0.008	0.215
Compound_613	CCCCCC=CCCCCCCCCCCC(=O)OC	0.967	0.006	0.522	0.637	0.35	0.052	1.0	0.987	0.289	1.0	0.914
Compound_614	ONC(=NCCCN(C)C)c1ccc(cc1Cl)Cl	0.519	0.421	0.264	0.277	0.348	0.702	0.008	0.745	0.369	0.154	0.487
Compound_615	O=N(=O)c1cccnc1NCCCn1cncc1	0.247	0.393	0.71	0.515	0.162	0.272	0.002	0.274	0.708	0.009	0.577
Compound_616	S=C(N1CCSCC1)SCC(=O)C	0.123	0.339	0.278	0.51	0.068	0.354	0.135	0.065	0.427	0.936	0.147
Compound_617	N#Cc1c(Cl)cccc1N(NS(=O)(=O)c1cc(C)c(c(c1)C)F)C	0.536	0.411	0.879	0.35	0.742	0.687	0.952	0.584	0.432	0.996	0.747
Compound_618	Clc1sc(c(c1)S(=O)(=O)Nc1c(C)nn(c1C)C)Cl	0.313	0.473	0.062	0.34	0.5	0.673	0.265	0.38	0.6	0.987	0.609
Compound_619	CCCCCC=CCC=CCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2	0.243	0.433	0.022	0.303	0.594	0.451	0.556	0.535	0.41	0.278	0.397
Compound_620	CC(c1nn2c(c1)ncn1c2=NCC1)(C)C	0.424	0.51	0.55	0.599	0.142	0.652	0.013	0.179	0.781	0.031	0.149
Compound_621	CCCCCCCCC=CCCCCCCCC(=O)Nc1ccccc1	0.843	0.268	0.853	0.613	0.104	0.538	0.948	0.903	0.523	0.963	0.217
Compound_622	Clc1ccc(c(c1)Cl)NC(=S)N1CCCC1c1cccs1	0.694	0.59	0.123	0.497	0.565	0.763	0.363	0.86	0.666	0.779	0.112
Compound_623	Clc1ccc(cc1)SC/C(=N/NC(=O)c1cccn1C)/N	0.266	0.508	0.401	0.431	0.573	0.641	0.045	0.076	0.346	0.082	0.358
Compound_624	N#C/C(=C\N(C)C)/C(=O)NOCc1c(F)cccc1Cl	0.524	0.681	0.255	0.359	0.679	0.278	0.01	0.406	0.432	0.85	0.74
Compound_625	FC(COc1ccc(cc1S(=O)(=O)NCc1ccccn1)OCC(F)(F)F)(F)F	0.294	0.361	0.411	0.347	0.623	0.597	0.168	0.878	0.251	0.019	0.368
Compound_626	COC(CNC(=O)C(=O)Nc1cccc(c1)C(F)(F)F)OC	0.268	0.459	0.933	0.612	0.13	0.072	0.131	0.978	0.289	0.007	0.298
Compound_627	O=C(C1CC1)Nc1ccc(cc1)c1ocnc1	0.086	0.603	0.736	0.741	0.25	0.576	0.084	0.744	0.632	0.193	0.749
Compound_628	CCCCCCCCC=CCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2	0.244	0.433	0.022	0.307	0.594	0.451	0.556	0.535	0.417	0.278	0.397
Compound_629	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC	0.718	0.009	0.329	0.587	0.37	0.032	1.0	0.991	0.461	0.999	0.94
Compound_630	CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC	0.902	0.003	0.551	0.723	0.096	0.093	0.999	0.592	0.068	0.998	0.912
Compound_631	CCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)O	0.226	0.322	0.46	0.259	0.123	0.587	0.243	0.066	0.449	0.009	0.102
Compound_632	CCCCCC=CCC(=CCCCCCCCC(=O)O)N(=O)=O	0.685	0.139	0.134	0.156	0.61	0.312	0.554	0.224	0.145	0.924	0.647
Compound_633	CCCCCCCCC=CCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.484	0.018	0.989	0.101	0.106	0.98	0.253
Compound_634	CC(CCOc1ccc(cc1)N)C	0.708	0.322	0.987	0.643	0.5	0.912	0.53	0.833	0.271	0.195	0.401
Compound_635	Cc1nn(c(=N)s1)Cc1ccccc1Cl	0.357	0.517	0.844	0.596	0.048	0.914	0.018	0.927	0.607	0.182	0.177
Compound_636	CC1CCCN(C1)c1ccc2n(n1)cnn2	0.191	0.713	0.014	0.391	0.108	0.695	0.011	0.221	0.651	0.013	0.105
Compound_637	CCCc1n(C)ncc1C(=O)Nc1ccc(cc1)Cl	0.662	0.704	0.925	0.793	0.294	0.397	0.064	0.436	0.743	0.384	0.315
Compound_638	Fc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1coc2c(c1=O)cccc2	0.456	0.667	0.428	0.447	0.293	0.679	0.302	0.795	0.282	0.111	0.403
Compound_639	CCCCCC=CCC(/C=C/C=CCC=CCCCC(=O)O)OO	0.626	0.113	0.239	0.107	0.448	0.169	0.839	0.499	0.272	0.99	0.326
Compound_640	O=C(c1cccs1)N1CCN(CC1)C(c1ccccc1)c1ccccc1	0.141	0.605	0.038	0.148	0.298	0.882	0.228	0.169	0.399	0.186	0.027
Compound_641	COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)C)Cc1cccn1C	0.326	0.587	0.379	0.579	0.367	0.729	0.065	0.051	0.378	0.082	0.269
Compound_642	O=C(NC1CCCCC1)NCCCCCCCCCCCC(=O)O	0.082	0.263	0.044	0.145	0.064	0.225	0.068	0.024	0.298	0.003	0.062
Compound_643	O=C(Nc1ccc(cc1)C(=O)C)CN1CCN(CC1)CC(=O)Nc1ccc(cc1)C(=O)C	0.292	0.363	0.503	0.222	0.262	0.848	0.056	0.419	0.437	0.537	0.434
Compound_644	Clc1ccc(cc1)c1oc(c(c1)C(=O)NCc1cccnc1)C(F)(F)F	0.294	0.548	0.919	0.574	0.416	0.543	0.391	0.823	0.642	0.074	0.692
Compound_645	COc1cc(CCNC(=O)c2cc3c(s2)cccc3)ccc1OC	0.322	0.534	0.985	0.444	0.37	0.71	0.124	0.866	0.393	0.002	0.078
Compound_646	CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(cc1)c1csc(n1)C	0.335	0.632	0.581	0.564	0.672	0.666	0.995	0.803	0.33	0.607	0.224
Compound_647	Cc1cnc(c(n1)C)NC(=O)c1cc(sc1Cl)Cl	0.336	0.757	0.987	0.633	0.23	0.712	0.024	0.921	0.83	0.18	0.046
Compound_648	COC(=O)c1cnc(nc1C(F)(F)F)N1CCCN(CC1)C(=O)NC1CCCCC1	0.131	0.522	0.076	0.371	0.353	0.292	0.126	0.503	0.39	0.017	0.486
Compound_649	COC(=O)c1ccc(n1C)S(=O)(=O)NNc1c(Cl)cncc1Cl	0.341	0.348	0.059	0.308	0.463	0.606	0.233	0.097	0.511	0.623	0.541
Compound_650	CCCCCC=CCC=CCC=CCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2	0.786	0.723	0.951	0.747	0.508	0.283	0.964	0.931	0.224	0.989	0.807
Compound_651	CCCc1c(cnn1c1ccccc1)C(=O)N1CCN(CC1)c1ccccc1OC	0.361	0.69	0.014	0.417	0.479	0.418	0.045	0.096	0.463	0.113	0.144
Compound_652	OCCCCCCC/C=C/C(=O)O	0.953	0.267	0.062	0.307	0.78	0.376	0.987	0.843	0.201	0.21	0.187
Compound_653	OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C2)CC(C1)C3	0.084	0.265	0.04	0.172	0.098	0.561	0.402	0.223	0.38	0.003	0.127
Compound_654	Clc1cc(cc(c1)Cl)Oc1ccc(o1)C(=O)Nc1ccc2c(c1)OCCO2	0.505	0.663	0.909	0.81	0.637	0.628	0.978	0.973	0.454	0.872	0.826
Compound_655	COC(=O)C1=C(C)NC2=C(C1c1cn[nH]c1c1cccs1)C(=O)CC(C2)(C)C	0.617	0.784	0.372	0.547	0.636	0.664	0.678	0.758	0.46	0.105	0.708
Compound_656	CCCCCCCCCCCCC/C=C/C(=O)O	0.957	0.017	0.124	0.317	0.877	0.283	0.999	0.645	0.968	0.978	0.645
Compound_657	CCCCNC(=O)Nc1cc(nn1C)C(C)(C)C	0.219	0.536	0.075	0.3	0.197	0.654	0.001	0.629	0.659	0.249	0.254
Compound_658	CCCCCCCCCCCCCC=CC(=O)O	0.957	0.017	0.124	0.317	0.877	0.283	0.999	0.645	0.968	0.978	0.645
Compound_659	Cn1nc(cc1NC(=O)CCCC(=O)O)C	0.124	0.437	0.04	0.215	0.146	0.51	0.018	0.04	0.381	0.002	0.129
Compound_660	CCc1ccnc(c1)NC(=O)Nc1c(Br)cc(cc1Br)C(C)C	0.451	0.612	0.549	0.474	0.623	0.655	0.072	0.202	0.534	0.626	0.128
Compound_661	CCCc1c(cnn1c1ccccc1)C(=O)NNc1ccccc1OC	0.41	0.604	0.255	0.438	0.529	0.628	0.013	0.029	0.457	0.365	0.373
Compound_662	O=C(c1nccnc1C(=O)O)Nc1c(C)n(n(c1=O)c1ccccc1)C	0.323	0.676	0.013	0.351	0.206	0.232	0.016	0.055	0.464	0.009	0.156
Compound_663	N#CCCN(C(=O)NS(=O)(=O)c1ccc(cc1)C)Cc1ccccc1	0.053	0.32	0.004	0.186	0.364	0.352	0.789	0.255	0.377	0.036	0.278
Compound_664	CCOC(=O)C1CCN(CC1)C(=O)c1sccc1Cl	0.465	0.556	0.194	0.506	0.266	0.732	0.272	0.916	0.39	0.598	0.18
Compound_665	O=C(NCc1ccc2c(c1)OCO2)CCc1onc(n1)c1ccccn1	0.231	0.67	0.898	0.509	0.435	0.589	0.012	0.449	0.249	0.418	0.242
Compound_666	Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccccc1N1CCCCC1	0.11	0.418	0.02	0.217	0.453	0.361	0.005	0.381	0.349	0.01	0.154
Compound_667	CCCCCCCC/C=C(/N(=O)=O)\CCCCCCCC(=O)O	0.867	0.139	0.198	0.156	0.421	0.455	0.832	0.234	0.188	0.924	0.647
Compound_668	CCOC(=O)Cn1cnc2c(c1=O)nnn2Cc1ccc(cc1)F	0.551	0.645	0.915	0.573	0.163	0.305	0.003	0.482	0.289	0.014	0.207
Compound_669	CCCCCCCC=CC(=O)O	0.952	0.017	0.124	0.317	0.825	0.182	0.989	0.645	0.944	0.978	0.645
Compound_670	O=C(N1CCN(CC1)C1c2ccccc2c2c1cccc2)NCCc1cccs1	0.155	0.339	0.049	0.332	0.467	0.55	0.142	0.325	0.434	0.011	0.035
Compound_671	COC(=O)c1ccc(o1)COc1ccc(cc1)NC(=O)C	0.089	0.547	0.556	0.472	0.04	0.286	0.535	0.137	0.63	0.066	0.494
Compound_672	O=C(c1ccc2c(c1)OCCCO2)CSc1n[nH]c(=O)n1Cc1ccco1	0.363	0.595	0.829	0.442	0.266	0.617	0.07	0.379	0.398	0.696	0.447
Compound_673	O=C(c1sc(nc1c1ccccc1)Nc1ccccc1)c1ccc2c(c1)OCCO2	0.572	0.649	0.982	0.811	0.5	0.84	0.978	0.962	0.462	0.144	0.668
Compound_674	OC(=O)CCC(=O)N1CCN(CC1)C1c2ccccc2c2c1cccc2	0.017	0.567	0.291	0.264	0.279	0.389	0.019	0.026	0.339	0.05	0.112
Compound_675	COc1ccc(cc1)Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.213	0.589	0.214	0.477	0.081	0.487	0.001	0.012	0.491	0.1	0.239
Compound_676	C#CCCCCCCCCCCCC(=O)O	0.903	0.127	0.167	0.129	0.145	0.259	0.716	0.037	0.116	0.46	0.208
Compound_677	N#Cc1c(C)cc(n2c1nc1c2cccc1)N1CCOCC1	0.351	0.702	0.102	0.401	0.447	0.673	0.037	0.337	0.435	0.113	0.648
Compound_678	Cc1nn(nc1C(=O)N1CCCc2c1cccc2)c1ccccc1	0.607	0.626	0.267	0.47	0.508	0.388	0.355	0.612	0.796	0.004	0.089
Compound_679	CCOC(=O)N1CCC(CC1)NC(=O)c1sc2c(c1Cl)cccc2	0.472	0.481	0.558	0.547	0.33	0.514	0.371	0.791	0.398	0.694	0.408
Compound_680	COc1cccc(c1)CC(=O)NNC(=O)c1ccc(s1)c1cccs1	0.543	0.522	0.95	0.649	0.51	0.828	0.996	0.322	0.421	0.041	0.332
Compound_681	C=CCc1cccc(c1O)C(=O)O	0.282	0.317	0.223	0.385	0.227	0.24	0.101	0.855	0.282	0.41	0.013
Compound_682	Brc1ccc(cc1)C(=O)CSc1cc(nc2n1ncn2)c1ccccc1	0.575	0.618	0.534	0.814	0.593	0.659	0.9	0.247	0.42	0.053	0.751
Compound_683	O=c1cc(c2ccccc2)n2c(n1)n(nc2C(=O)c1cccs1)c1ccccc1	0.633	0.647	0.511	0.62	0.612	0.8	0.875	0.879	0.522	0.009	0.253
Compound_684	CSc1nnc(n1Cc1ccccc1)c1sc2c(c1N)c(C)cc(n2)C	0.579	0.691	0.996	0.631	0.55	0.701	0.926	0.972	0.524	0.427	0.23
Compound_685	Clc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)Cn1nnc2c1cccc2	0.521	0.558	0.63	0.6	0.512	0.771	0.949	0.359	0.45	0.047	0.587
Compound_686	CNC(=O)NC(=O)CSc1nnc(o1)c1ccc(cc1)Cl	0.216	0.422	0.742	0.56	0.494	0.619	0.084	0.674	0.415	0.112	0.599
Compound_687	CCC=CCC=CCC(/C=C/C=CCC=CCC=CCCC(=O)O)O	0.444	0.06	0.326	0.163	0.566	0.137	0.934	0.384	0.186	0.978	0.172
Compound_688	c1ccc2c(c1)SCc1n2c(nn1)c1cccs1	0.498	0.643	0.256	0.578	0.568	0.748	0.396	0.735	0.739	0.008	0.283
Compound_689	Clc1ccc(cc1)c1cn(c(=S)[nH]1)c1ccccc1	0.548	0.667	0.087	0.6	0.157	0.98	0.704	0.065	0.526	0.948	0.493
Compound_690	COc1ccc(cc1)n1c(CSc2nc(cn2c2ccc(cc2)C)c2cccs2)n[nH]c1=S	0.505	0.661	0.296	0.575	0.541	0.776	0.951	0.013	0.739	0.492	0.363
Compound_691	O=C(CN1CCc2c1cccc2)Nc1nnc(s1)c1cccs1	0.505	0.548	0.451	0.439	0.471	0.697	0.301	0.056	0.474	0.324	0.068
Compound_692	COC(=O)c1ccccc1S(=O)(=O)Cc1ccc(c(c1)OC)OC	0.585	0.71	0.815	0.481	0.511	0.672	0.758	0.023	0.327	0.451	0.245
Compound_693	c1ccc(cc1)OC1CN(C1)C(c1ccccc1)c1ccccc1	0.044	0.503	0.235	0.158	0.607	0.717	0.026	0.254	0.352	0.976	0.492
Compound_694	CCCCCCCCC(=CCCCCCCCC(=O)O)N(=O)=O	0.867	0.139	0.198	0.156	0.421	0.455	0.832	0.234	0.188	0.924	0.647
Compound_695	CC(=O)C1C(=O)c2c(C1=O)c(ccc2)N(=O)=O	0.713	0.433	0.648	0.516	0.241	0.499	0.66	0.783	0.462	0.985	0.927
Compound_696	CCOC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc1ccccn1	0.571	0.543	0.5	0.432	0.49	0.755	0.961	0.655	0.397	0.355	0.519
Compound_697	COc1cc(cc(c1OC)OC)C(=O)NC(c1ccccc1)C	0.089	0.775	0.588	0.409	0.086	0.825	0.418	0.256	0.283	0.061	0.255
Compound_698	CC(CC(C(=O)N)NC(=O)OC(C)(C)C)C	0.018	0.058	0.04	0.227	0.033	0.025	0.0	0.063	0.377	0.043	0.083
Compound_699	CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C#N	0.566	0.746	0.45	0.445	0.687	0.486	0.192	0.609	0.547	0.246	0.649
Compound_700	S=C(NN1C2CSC1CS2)NCCc1ccccn1	0.177	0.319	0.809	0.31	0.24	0.65	0.002	0.5	0.62	0.065	0.047
Compound_701	CSc1n[nH]c(c1S(=O)(=O)c1ccc(cc1)Cl)N	0.306	0.351	0.697	0.563	0.612	0.67	0.539	0.074	0.384	0.371	0.292
Compound_702	CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(CF)O	0.112	0.137	0.012	0.331	0.09	0.183	0.012	0.929	0.352	0.144	0.111
Compound_703	O=C(Nc1scc(c1C)S(=O)(=O)c1ccc(cc1)Cl)Nc1onc(c1)C	0.58	0.361	0.547	0.479	0.642	0.729	0.874	0.075	0.448	0.486	0.29
Compound_704	NNC(=O)c1sc(c(c1)S(=O)(=O)C(C)C)SC	0.357	0.344	0.688	0.322	0.475	0.649	0.449	0.071	0.46	0.037	0.355
Compound_705	Cn1c(nnc1CSc1cccs1)SCc1ccccc1	0.466	0.645	0.093	0.494	0.445	0.713	0.16	0.03	0.816	0.118	0.268
Compound_706	O=C(C1=C(O)c2c(C)c(sc2N(S1(=O)=O)C)C)Nc1ccccc1	0.626	0.714	0.676	0.529	0.25	0.798	0.764	0.848	0.443	0.975	0.314
Compound_707	CSc1nnc(s1)SCCS(=O)(=O)c1ccc(cc1)Cl	0.586	0.43	0.859	0.58	0.674	0.751	0.992	0.52	0.39	0.321	0.254
Compound_708	O=C(NCc1ccncc1)CSCCOc1ccccc1	0.025	0.433	0.463	0.41	0.196	0.687	0.022	0.105	0.398	0.025	0.136
Compound_709	CCC=CC[C@@H](/C=C/C=CCC=CC=C[C@H](CCCCCC(=O)O)O)O	0.827	0.086	0.25	0.154	0.546	0.221	0.697	0.64	0.038	0.936	0.083
Compound_710	CN(c1ccc2c(c1N(=O)=O)nsn2)C	0.914	0.446	0.959	0.559	0.773	0.235	0.782	0.997	0.741	0.983	0.831
Compound_711	O=C(n1ccc(n1)c1ccc(s1)C#Cc1ccccc1)c1cccs1	0.592	0.493	0.757	0.571	0.703	0.662	0.99	0.173	0.446	0.209	0.513
Compound_712	N#C/C(=C\c1cnc[nH]1)/S(=O)(=O)c1cccs1	0.651	0.471	0.092	0.374	0.546	0.677	0.002	0.854	0.747	0.212	0.489
Compound_713	O=C(N1CCOCC1)Nc1cncc(c1)C#Cc1ccccc1	0.345	0.427	0.309	0.481	0.187	0.842	0.009	0.092	0.401	0.598	0.413
Compound_714	N#N=NCCCCCC(=O)O	0.203	0.092	0.087	0.206	0.026	0.048	0.015	0.055	0.062	0.05	0.158
Compound_715	Clc1cc(cnc1N1CCN(CC1)c1cc(nc2c1cccc2)C(F)(F)F)C(F)(F)F	0.285	0.686	0.868	0.487	0.892	0.657	0.975	0.678	0.63	0.621	0.274
Compound_716	N#C/C(=C\N1CCN(CC1)c1ccccc1)/C(=O)NC(=O)C	0.208	0.571	0.133	0.156	0.362	0.122	0.0	0.217	0.426	0.105	0.668
Compound_717	COc1ccc(cc1OC1CCCC1)C(=NOC(=O)c1ccc(cc1)Cl)N	0.435	0.58	0.335	0.59	0.576	0.806	0.461	0.094	0.421	0.949	0.421
Compound_718	O=C(Nc1ccc(cc1)C(C)C)CSc1nccc(n1)c1ccco1	0.357	0.448	0.943	0.595	0.302	0.586	0.973	0.021	0.454	0.008	0.343
Compound_719	ONC(=O)c1csc(n1)c1cccnc1	0.578	0.532	0.995	0.587	0.223	0.713	0.016	0.987	0.13	0.013	0.263
Compound_720	O=c1nc([nH][nH]1)N1CCSCC1	0.03	0.41	0.47	0.407	0.042	0.155	0.001	0.048	0.212	0.006	0.151
Compound_721	O=C(NNC(=O)c1ccco1)CCCCCCCCC(=O)NNC(=O)c1ccco1	0.094	0.489	0.328	0.481	0.156	0.676	0.947	0.792	0.408	0.783	0.583
Compound_722	CNC(=O)c1ccccc1I	0.496	0.324	0.548	0.419	0.019	0.296	0.232	0.459	0.433	0.585	0.218
Compound_723	O=C(c1ccccc1)OC(c1nccc2c1cccc2)C(C)C	0.224	0.576	0.905	0.525	0.285	0.369	0.153	0.579	0.579	0.208	0.756
Compound_724	CCOC(=O)C(c1ccccc1)C(=O)Cc1ccccc1	0.359	0.695	0.891	0.584	0.479	0.515	0.948	0.061	0.261	0.071	0.88
Compound_725	O=C1/C(=C/c2ccc(cc2)N(=O)=O)/N=C2N1CCCS2	0.318	0.447	0.426	0.667	0.147	0.378	0.018	0.704	0.402	0.04	0.24
Compound_726	Clc1ccc(cc1)n1nnnc1c1cnn(c1C)c1ccccc1	0.484	0.558	0.607	0.587	0.614	0.791	0.961	0.414	0.834	0.131	0.402
Compound_727	N#CC(=C(SC)SC)c1ccccn1	0.429	0.549	0.436	0.521	0.542	0.569	0.102	0.938	0.85	0.343	0.605
Compound_728	O=C1OC(=NC1=Cc1ccccc1Cl)/C=C/c1ccccc1	0.566	0.576	0.794	0.765	0.952	0.864	0.927	0.861	0.661	0.604	0.762
Compound_729	CCCCCCCCCCCSCC(=O)O	0.758	0.024	0.028	0.335	0.568	0.061	0.99	0.361	0.435	0.855	0.591
Compound_730	O=C1C(=O)C(=C1N1CCCC1)N1CCOCC1	0.183	0.387	0.054	0.436	0.232	0.057	0.051	0.434	0.262	0.089	0.369
Compound_731	S=C(Nc1c(C)cc(cc1C)C)NCCNCc1ccccc1	0.192	0.452	0.105	0.237	0.185	0.912	0.486	0.018	0.419	0.644	0.207
Compound_732	CCCCCCCCCCCCCCC(C(=O)O)F	0.832	0.029	0.067	0.463	0.166	0.014	0.987	0.991	0.167	0.944	0.432
Compound_733	COCCCNC(=S)Nc1cccc(c1)SC	0.403	0.307	0.383	0.385	0.255	0.691	0.002	0.16	0.543	0.176	0.223
Compound_734	CCCCCCCCCCCCCCCC(=O)NC[C@H](O)C	0.075	0.082	0.007	0.287	0.021	0.2	0.017	0.118	0.267	0.013	0.033
Compound_735	COc1cccc(c1C(=O)NC(CC(C)(C)C)(C)C)OC	0.137	0.351	0.323	0.458	0.044	0.443	0.723	0.392	0.404	0.011	0.023
Compound_736	Clc1ccc(cc1)c1[nH]c(nc(=O)n1)c1ccc(cc1)Cl	0.505	0.585	0.351	0.667	0.579	0.94	0.661	0.094	0.587	0.069	0.288
Compound_737	CCN(C(=O)c1cnc(cc1C(F)(F)F)OC)c1ccc(cc1Cl)Cl	0.655	0.581	0.656	0.739	0.41	0.595	0.767	0.972	0.461	0.442	0.755
Compound_738	ONC(=Nc1ccc(cc1)C(F)(F)F)c1c(F)cccc1F	0.586	0.74	0.959	0.597	0.937	0.946	0.958	0.968	0.52	0.644	0.574
Compound_739	CCCCc1ccc(c(c1)C)NC(=O)CSc1nnc(s1)NC(=O)c1cccs1	0.725	0.631	0.428	0.458	0.568	0.719	0.977	0.936	0.413	0.045	0.38
Compound_740	O=C(c1cccs1)CC(c1ccccc1)C(=O)O	0.181	0.664	0.025	0.273	0.339	0.621	0.982	0.051	0.352	0.001	0.038
Compound_741	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C	0.059	0.095	0.014	0.394	0.023	0.312	0.032	0.067	0.265	0.015	0.056
Compound_742	N#CCC(=O)NNC(=S)NCC1CCCO1	0.12	0.298	0.027	0.292	0.165	0.339	0.003	0.165	0.435	0.414	0.472
Compound_743	c1ccc(nc1)SCc1cccc(n1)CSc1ccccn1	0.454	0.575	0.378	0.505	0.708	0.707	0.942	0.628	0.711	0.685	0.889
Compound_744	CN1CCN(CC1)c1c2ccccc2nc2c1C1CCC2(C1(C)C)C	0.233	0.783	0.206	0.29	0.432	0.488	0.138	0.123	0.59	0.048	0.212
Compound_745	CCOC(=O)c1c(NC=C2C=C(Br)C(=CC2=O)Br)sc2c1CCCC2	0.617	0.567	0.941	0.541	0.413	0.621	0.126	0.705	0.677	0.987	0.738
Compound_746	CSc1ccccc1Nc1ncnc(n1)N	0.782	0.572	0.964	0.58	0.555	0.33	0.015	0.503	0.665	0.229	0.743
Compound_747	O=C(N(C)C)Oc1cc(C)nc(n1)c1ccc(c(c1)Cl)C	0.585	0.586	0.731	0.772	0.771	0.79	0.075	0.877	0.334	0.748	0.145
Compound_748	Clc1ccc(cc1)N1C(=S)NC(C=C1C)(C)C	0.462	0.608	0.303	0.476	0.321	0.929	0.856	0.865	0.511	0.616	0.253
Compound_749	NC(=N)SCc1ccc(cc1)C	0.254	0.259	0.366	0.528	0.06	0.314	0.543	0.399	0.44	0.357	0.154
Compound_750	O=C(NCC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C)/C=C/C(=O)O	0.164	0.494	0.018	0.321	0.305	0.955	0.794	0.25	0.674	0.056	0.101
Compound_751	C=CCNC1=NC(=O)C(S1)CC(=O)Nc1ccccc1	0.345	0.397	0.855	0.602	0.078	0.147	0.0	0.845	0.346	0.006	0.376
Compound_752	N#CC(c1ccccc1)Nc1ccc(cc1)C(F)(F)F	0.72	0.686	0.878	0.635	0.854	0.695	0.734	0.978	0.762	0.949	0.983
Compound_753	Cc1ccc(cc1)C(=O)NC1(NCCc2ccc(cc2)Cl)C(=O)c2c(C1=O)cccc2	0.342	0.509	0.032	0.181	0.684	0.816	0.97	0.015	0.395	0.113	0.213
Compound_754	Cc1onc(c1CNS(=O)(=O)c1c(Cl)nc2n1ccs2)c1ccccc1	0.491	0.445	0.154	0.464	0.641	0.653	0.948	0.808	0.37	0.066	0.26
Compound_755	O=S(=O)(c1ccc(nc1)N1CCOCC1)NCC1CCCO1	0.35	0.502	0.014	0.231	0.036	0.292	0.003	0.271	0.29	0.322	0.22
Compound_756	Clc1ccc(cc1)Oc1ncccc1C(=O)Nc1ccc2c(c1)nccn2	0.684	0.641	0.973	0.8	0.477	0.572	0.901	0.869	0.374	0.956	0.929
Compound_757	CSc1snc(c1C(=O)NC(=O)Nc1noc(c1)C)SC	0.364	0.454	0.737	0.338	0.578	0.647	0.056	0.042	0.536	0.624	0.509
Compound_758	S=C(NN1C2CSC1CS2)NC1CC2CC1CC2	0.13	0.289	0.59	0.344	0.536	0.61	0.009	0.477	0.528	0.722	0.059
Compound_759	CCOC(=O)N/N=C(/c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)\C	0.58	0.504	0.993	0.591	0.832	0.581	0.196	0.771	0.397	0.042	0.317
Compound_760	OC(=O)CSCC(=O)N(Cc1cccs1)Cc1ccccc1	0.195	0.55	0.065	0.396	0.24	0.826	0.94	0.127	0.411	0.012	0.063
Compound_761	COC(=O)Cc1nc(sc1C)Nc1ccccc1	0.72	0.79	0.806	0.551	0.07	0.712	0.415	0.98	0.588	0.004	0.234
Compound_762	COc1cc(cc(c1C(=O)NCc1cccs1)C(F)(F)F)C(F)(F)F	0.474	0.575	0.823	0.47	0.399	0.711	0.48	0.896	0.432	0.013	0.577
Compound_763	OC(=O)CC(CCCCCCCCCCC(CC(=O)O)(C)C)(C)C	0.77	0.044	0.039	0.134	0.174	0.064	0.883	0.181	0.076	0.498	0.39
Compound_764	COc1ccc(cc1)C(=O)NNC(=O)c1c(OC)cc(cc1C(F)(F)F)C(F)(F)F	0.525	0.61	0.903	0.554	0.6	0.872	0.969	0.425	0.437	0.234	0.361
Compound_765	CCC=CCC(/C=C/C=CCCCCCCCC(=O)O)OO	0.871	0.124	0.26	0.104	0.463	0.124	0.911	0.43	0.044	0.989	0.308
Compound_766	COCCCNC(=S)NNC(=O)c1c(OC)cc(cc1C(F)(F)F)C(F)(F)F	0.197	0.61	0.619	0.465	0.247	0.646	0.238	0.658	0.449	0.051	0.32
Compound_767	O=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(nc1)N1CCN(CC1)c1ncccc1C(F)(F)F	0.121	0.597	0.758	0.554	0.684	0.722	0.921	0.906	0.453	0.047	0.335
Compound_768	O=C(NCc1ccco1)/C=C/c1ccc(cc1)OC(F)(F)F	0.104	0.502	0.846	0.577	0.062	0.603	0.432	0.74	0.397	0.037	0.552
Compound_769	CC(Cc1ccc(cc1)C(C(=O)NNC(=O)c1ccccc1Cl)C)C	0.316	0.581	0.384	0.453	0.402	0.875	0.948	0.192	0.416	0.988	0.309
Compound_770	CCOC(=O)Cc1nn(Cc2scc(n2)c2ccc(cc2)C)c(=O)c2c1cccc2	0.673	0.649	0.985	0.709	0.56	0.883	0.999	0.966	0.273	0.145	0.437
Compound_771	O=C(c1cc(n(c1C)CCCN1CCOCC1)c1ccccc1)Nc1ccccc1	0.499	0.7	0.537	0.602	0.587	0.718	0.718	0.322	0.277	0.19	0.298
Compound_772	CCCCCC=CCC=CCC=CCC=CCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2	0.486	0.723	0.951	0.747	0.508	0.283	0.964	0.931	0.228	0.989	0.807
Compound_773	COc1ccc2c(c1)cc([nH]2)C(=O)NCc1ccccc1	0.492	0.663	0.966	0.482	0.719	0.721	0.305	0.1	0.791	0.137	0.745
Compound_774	Clc1cccc(c1CSc1n[nH]c(n1)N)Cl	0.442	0.479	0.611	0.544	0.47	0.606	0.782	0.063	0.358	0.215	0.339
Compound_775	O=C(c1n[nH]c(c1)C(C)(C)C)N/N=C/c1ccc(s1)N(=O)=O	0.549	0.493	0.882	0.394	0.646	0.653	0.126	0.968	0.456	0.602	0.679
Compound_776	Clc1ccc(cc1)C(=O)NNC(=O)c1csc(n1)c1cccs1	0.677	0.519	0.915	0.543	0.533	0.73	0.986	0.252	0.544	0.386	0.337
Compound_777	O=C(Nc1sc(nc1C)c1cccs1)Nc1ccc(cc1)Cl	0.669	0.677	0.994	0.718	0.465	0.877	0.94	0.836	0.746	0.174	0.307
Compound_778	O=C(Nc1cc(Cl)cc(c1)Cl)CSc1ncc(n1C)c1ccc(cc1)Cl	0.536	0.512	0.794	0.75	0.641	0.858	0.941	0.815	0.511	0.49	0.455
Compound_779	O=C(Nc1ccc(cc1)C(C)C)CSc1ncnc(n1)N	0.675	0.496	0.97	0.568	0.115	0.683	0.174	0.012	0.585	0.007	0.566
Compound_780	CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@](C(=O)O)(CO)N)O)O	0.273	0.194	0.014	0.231	0.093	0.179	0.395	0.015	0.178	0.005	0.141
Compound_781	COCCCn1c(=S)[nH]nc1c1cc(nn1CC)C	0.291	0.511	0.572	0.522	0.111	0.645	0.006	0.712	0.627	0.248	0.527
Compound_782	CCCCCC=CCC=CCC=CCCCCCCC(=O)OCC	0.943	0.009	0.721	0.709	0.438	0.112	0.999	0.972	0.058	1.0	0.942
Compound_783	CCn1c(=S)[nH]c2c1ccc(c2)Cl	0.754	0.498	0.162	0.454	0.166	0.761	0.586	0.021	0.988	0.957	0.581
Compound_784	CC(NC(=O)O/N=C(\CSc1nccn1C)/N)C	0.131	0.357	0.259	0.388	0.506	0.456	0.003	0.005	0.17	0.262	0.687
Compound_785	CSc1nnc(s1)SCc1csc(n1)c1ccc(cc1)C(F)(F)F	0.701	0.707	0.975	0.681	0.682	0.739	0.998	0.975	0.408	0.067	0.753
Compound_786	COCc1cc(=O)nc([nH]1)c1csc(n1)C	0.37	0.583	0.484	0.455	0.146	0.693	0.1	0.395	0.52	0.001	0.303
Compound_787	O=C(Nc1ccc(cc1)C(C)C)CSc1nccc(n1)c1csc(n1)c1csc(n1)C	0.649	0.575	0.981	0.625	0.547	0.69	0.998	0.11	0.52	0.044	0.279
Compound_788	Cc1ccc(cc1)Oc1c(=O)nc([nH]c1C)C	0.342	0.592	0.582	0.548	0.161	0.754	0.004	0.268	0.633	0.084	0.116
Compound_789	O=c1cc(Nc2ccccc2Cl)[nH]c(n1)COc1ccc(cc1)C(C)(C)C	0.399	0.622	0.777	0.591	0.94	0.847	0.963	0.646	0.727	0.618	0.137
Compound_790	Clc1ccc(cc1)Sc1c(C)nn(c1C)c1ncc(cc1Cl)C(F)(F)F	0.435	0.562	0.61	0.759	0.683	0.69	0.957	0.871	0.75	0.129	0.536
Compound_791	N#Cc1c(C)cc(n(c1=O)Cc1ccc(cc1)Cl)C	0.478	0.531	0.431	0.654	0.532	0.474	0.092	0.574	0.543	0.046	0.427
Compound_792	C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2	0.876	0.602	0.866	0.506	0.816	0.655	0.956	0.298	0.377	0.998	0.952
Compound_793	C1Oc2c(O1)cc(cc2)O[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2	0.723	0.657	0.832	0.514	0.879	0.656	0.935	0.505	0.408	0.994	0.97
Compound_794	N#Cc1ccc(nc1)N1CCN(CC1)C(=O)c1ccc(cc1)Cl	0.085	0.678	0.264	0.451	0.147	0.617	0.032	0.908	0.341	0.295	0.393
Compound_795	CCOC(=O)NNC(=S)Nc1ccc2c(c1)OCCO2	0.468	0.583	0.859	0.388	0.351	0.574	0.495	0.202	0.412	0.859	0.367
Compound_796	CCCCCCCCC#CCCCCCCCC(=O)c1nc2c(o1)cccn2	0.423	0.656	0.786	0.535	0.396	0.626	0.273	0.934	0.658	0.877	0.342
Compound_797	O=c1[nH]c2ccccc2c(n1)c1ccccc1	0.294	0.745	0.986	0.687	0.39	0.873	0.965	0.608	0.801	0.042	0.665
Compound_798	CC([C@@H](C(=O)O)NC(=O)c1nn(c2c1cccc2)Cc1ccc(cc1)F)C	0.56	0.669	0.266	0.34	0.753	0.551	0.959	0.431	0.336	0.078	0.431
Compound_799	COC(=O)[C@H](C(C)C)NC(=O)c1nn(c2c1cccc2)CCCCC(=O)O	0.515	0.688	0.076	0.335	0.425	0.42	0.666	0.721	0.348	0.45	0.361
Compound_800	CCCCCCCCC=CCC=CCC=CCCCC(=O)NCCO	0.178	0.153	0.019	0.312	0.088	0.439	0.052	0.259	0.343	0.212	0.069
Compound_801	CCCCCCCCC=CCC=CCC=CCCCC(=O)OC	0.925	0.006	0.474	0.632	0.433	0.075	1.0	0.987	0.488	1.0	0.914
Compound_802	CN1C2CCC1CC(C2)OC(=O)c1ccc(cc1)F	0.22	0.459	0.346	0.214	0.016	0.078	0.008	0.043	0.225	0.117	0.211
Compound_803	CCC=CCC=CCC=CCCCCCCCCCC(=O)O	0.912	0.038	0.104	0.102	0.467	0.049	0.996	0.066	0.048	0.975	0.239
Compound_804	CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC	0.65	0.009	0.352	0.593	0.333	0.033	0.999	0.981	0.37	0.999	0.94
Compound_805	CC([C@@H](C(=O)N)NC(=O)c1nn(c(c1)c1ccc(cc1)F)CC1CCCCC1)C	0.569	0.617	0.103	0.506	0.625	0.674	0.571	0.92	0.641	0.193	0.263
Compound_806	CCCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccc(c(c1)N(=O)=O)OC	0.672	0.666	0.869	0.578	0.533	0.873	0.717	0.934	0.414	0.949	0.46
Compound_807	CCCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O	0.037	0.068	0.018	0.241	0.058	0.031	0.166	0.027	0.224	0.015	0.039
Compound_808	O=C(Nc1ccccc1N)Cc1cn(c(n1)CN(c1ccc(cc1)F)C)c1ccc(cc1)Cl	0.29	0.6	0.855	0.479	0.622	0.785	0.956	0.897	0.704	0.313	0.512
Compound_809	COC(=O)[C@H](C(C)(C)C)NC(=O)c1cn(c2c1cccc2)Cc1ccc(cc1)F	0.573	0.682	0.732	0.489	0.514	0.242	0.981	0.545	0.382	0.138	0.441
Compound_810	O=C(c1nn(c2c1cccc2)CC1CCOCC1)NC12CC3CC(C2)CC(C1)C3	0.601	0.701	0.771	0.564	0.708	0.728	0.583	0.826	0.383	0.062	0.267
Compound_811	FCCCCCn1nc(cc1C(=O)NC(C(C)(C)C)C(=O)N)c1ccc(cc1)F	0.474	0.63	0.089	0.46	0.64	0.609	0.739	0.92	0.651	0.598	0.293
Compound_812	ClCCCCCn1nc(c2c1cccc2)C(=O)c1cccc2c1cccc2	0.638	0.658	0.558	0.666	0.92	0.721	0.998	0.979	0.407	0.74	0.793
Compound_813	CCC=CCC=CCC=CCC=CCCCCC(=O)NCC(=O)O	0.07	0.069	0.015	0.202	0.154	0.011	0.014	0.188	0.143	0.093	0.057
Compound_814	CCCCCn1nc(c2c1cccc2)C(=O)OC12CC3CC(C2)CC(C1)C3	0.591	0.758	0.054	0.517	0.809	0.62	0.928	0.843	0.411	0.329	0.748
Compound_815	FCCCCCn1nc(c2c1cccc2)C(=O)OC12CC3CC(C2)CC(C1)C3	0.623	0.748	0.138	0.623	0.846	0.635	0.916	0.993	0.403	0.15	0.678
Compound_816	COc1cc(ccc1OC)CC(NCc1ccccc1OC)C	0.031	0.529	0.537	0.347	0.028	0.518	0.053	0.147	0.147	0.001	0.155
Compound_817	CC([C@@H](C(=O)N)NC(=O)c1cn(c2c1cccc2)Cc1ccc(cc1)F)C	0.474	0.593	0.491	0.369	0.353	0.288	0.917	0.121	0.427	0.19	0.626
Compound_818	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCC(=O)O	0.034	0.101	0.014	0.198	0.195	0.016	0.089	0.311	0.11	0.184	0.066
Compound_819	CCCCCC=CCC=CCC=CCCCCC(=O)OCC	0.84	0.009	0.721	0.709	0.372	0.107	0.998	0.972	0.07	1.0	0.942
Compound_820	Fc1ccc(cc1)Cn1cc(c2c1cccc2)C(=O)O	0.514	0.528	0.284	0.376	0.642	0.437	0.965	0.367	0.703	0.048	0.5
Compound_821	C[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(CCc1ccccc1)C)(C)C	0.621	0.288	0.033	0.504	0.144	0.464	1.0	0.599	0.756	0.367	0.337
Compound_822	CN(C1(CCCCC1)CNC(=O)c1ccccc1)C	0.13	0.385	0.024	0.215	0.002	0.537	0.015	0.131	0.409	0.0	0.103
Compound_823	O=C(c1ccc(c(c1)Cl)Cl)NCC1(CCCCC1)N1CCCCC1	0.123	0.359	0.422	0.276	0.027	0.382	0.025	0.225	0.46	0.007	0.075
Compound_824	CN1CCN(CC1)C1(CCCCC1)CNC(=O)c1ccc(c(c1)Cl)Cl	0.121	0.378	0.518	0.259	0.022	0.334	0.02	0.599	0.45	0.002	0.089
Compound_825	O=C(N(c1ccccc1)C1CCNCC1)c1ccco1	0.155	0.435	0.007	0.276	0.045	0.409	0.02	0.286	0.294	0.005	0.061
Compound_826	CCCC(=O)N(c1cccc(c1)F)C1CCN(CC1)CCc1ccccc1	0.633	0.538	0.396	0.206	0.193	0.712	0.002	0.11	0.551	0.519	0.107
Compound_827	CCCCCC/C=C/CCCCCCCC(=O)OC	0.967	0.006	0.522	0.637	0.35	0.052	1.0	0.987	0.321	1.0	0.914
Compound_828	Cc1c(C)c2c3c4c1c(=C)n(c(=C)c4c(c(c3c(=C)n(c2=C)C)C)C)C	0.697	0.745	0.413	0.33	0.044	0.353	0.156	0.92	0.929	0.574	0.485
Compound_829	CC(C(=O)c1ccc2c(c1)OCO2)NCc1ccccc1	0.11	0.588	0.889	0.365	0.073	0.72	0.105	0.192	0.287	0.245	0.64
Compound_830	CCCCCC#CCC#CCC#CCC#CCCCC(=O)O	0.51	0.086	0.188	0.148	0.162	0.786	0.979	0.135	0.315	0.901	0.258
Compound_831	O=C(Nc1cccc(c1)C[NH+]1CCCCC1)CCn1c(=O)oc2c1ccc(c2)Cl	0.34	0.41	0.964	0.57	0.45	0.478	0.04	0.759	0.426	0.168	0.293
Compound_832	CNC(Cc1cccc2c1cco2)C	0.024	0.498	0.585	0.28	0.001	0.257	0.171	0.014	0.147	0.311	0.227
Compound_833	CSc1nc(n(n1)C(=N)SC)N	0.272	0.373	0.887	0.459	0.201	0.292	0.012	0.228	0.751	0.235	0.634
Compound_834	Cc1cnnn1c1c(C)nn(c1C)C	0.108	0.494	0.148	0.512	0.463	0.321	0.429	0.145	0.954	0.609	0.527
Compound_835	CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)OC	0.855	0.009	0.352	0.593	0.283	0.036	0.999	0.981	0.26	0.999	0.94
Compound_836	CC(=O)c1ccc(cc1)OS(=O)(=O)CS(=O)(=O)Oc1ccc(cc1)C(=O)C	0.751	0.707	0.611	0.677	0.5	0.989	0.975	0.191	0.404	0.065	0.335
Compound_837	C#CCCCCCCC=CCCCCCCCC(=O)O	0.974	0.145	0.125	0.117	0.51	0.353	0.994	0.033	0.137	0.786	0.241
Compound_838	Fc1ccc(c(c1)F)c1ccc(o1)c1ccnn1C(=O)c1ccc(cc1Cl)Cl	0.554	0.59	0.96	0.732	0.73	0.646	0.982	0.699	0.458	0.56	0.714
Compound_839	CCN(S(=O)(=O)c1ccc(s1)c1csc(n1)C)CC	0.45	0.428	0.503	0.572	0.482	0.733	0.637	0.405	0.418	0.891	0.222
Compound_840	O=C1OC(C)(C)OC(=O)C1=CNNc1ccc(cc1)C(F)(F)F	0.525	0.624	0.895	0.782	0.595	0.858	0.331	0.998	0.6	0.14	0.451
Compound_841	Cc1nc(ccc1c1nnc(o1)SCCCN1C(=O)c2c(C1=O)cccc2)C(F)(F)F	0.512	0.554	0.223	0.693	0.717	0.634	0.772	0.957	0.427	0.002	0.531
Compound_842	Cc1ccc(cc1)S(=O)(=O)NC(=O)NCCCN1CCN(CC1)Cc1c(F)cccc1Cl	0.069	0.398	0.023	0.085	0.388	0.481	0.028	0.06	0.369	0.006	0.317
Compound_843	COCC(=O)C(C(=O)OC)C=Nc1ccc(cc1Cl)Cl	0.505	0.504	0.864	0.712	0.369	0.487	0.977	0.554	0.43	0.424	0.412
Compound_844	O=C1C=C(NCc2ccccc2)CC(C1)c1ccc(cc1)Cl	0.43	0.477	0.508	0.539	0.49	0.933	0.379	0.48	0.359	0.19	0.734
Compound_845	CC(=O)N1N=C(OC1c1ccccc1Cl)c1cccnc1	0.339	0.604	0.533	0.564	0.101	0.527	0.1	0.411	0.381	0.159	0.428
Compound_846	ONC=Nc1ccccc1C(=O)OC	0.361	0.529	0.968	0.408	0.106	0.351	0.103	0.031	0.672	0.29	0.338
Compound_847	CCOC(=O)C(=CNc1ccc(cc1)F)C(=O)OCC	0.822	0.596	0.813	0.526	0.437	0.55	0.023	0.878	0.66	0.854	0.775
Compound_848	CCc1cc(CC)cc(c1NC(=S)Nc1ccc(cc1Cl)C)CC	0.553	0.53	0.601	0.441	0.634	0.89	0.998	0.058	0.984	0.998	0.525
Compound_849	CCCCNC(=O)Cn1cnc2c(c1=O)c(C)c(s2)C(=O)Nc1ccccc1C	0.54	0.581	0.854	0.521	0.269	0.319	0.024	0.725	0.426	0.261	0.112
Compound_850	CN(/C=C/C(=O)c1cccc(c1F)Cl)C	0.781	0.347	0.809	0.374	0.138	0.262	0.137	0.919	0.656	0.861	0.406
Compound_851	O=C1C(=Cc2ccc3c(c2)OCO3)CCC/C/1=C\c1ccc2c(c1)OCO2	0.879	0.727	0.992	0.612	0.806	0.947	0.99	0.991	0.459	0.997	0.925
Compound_852	O=C(c1ccco1)Nn1c(=S)[nH]c2c(c1=O)cccc2	0.414	0.498	0.859	0.408	0.179	0.663	0.775	0.934	0.426	0.322	0.375
Compound_853	O=C(Nc1ccccc1C(=O)O)COc1ccccc1	0.238	0.667	0.282	0.306	0.265	0.529	0.985	0.4	0.561	0.236	0.414
Compound_854	CCNC(=O)C[C@H]1SC(=Nc2ccc(cc2)S(=O)(=O)N)N(C1=O)CC=C	0.146	0.338	0.008	0.226	0.155	0.299	0.037	0.576	0.372	0.006	0.149
Compound_855	ON=C(c1ccc(cc1)N(=O)=O)CSc1ccccc1C(=O)O	0.555	0.518	0.773	0.462	0.909	0.63	0.977	0.778	0.396	0.515	0.77
Compound_856	FC(c1cc(Nc2nnc(s2)c2cccnc2Oc2ccccc2)cc(c1)C(F)(F)F)(F)F	0.648	0.626	0.893	0.69	0.559	0.678	0.963	0.814	0.48	0.023	0.572
Compound_857	O=C(NC(=O)c1c(Cl)cccc1Cl)NCCc1ccncc1	0.22	0.305	0.342	0.364	0.354	0.704	0.005	0.091	0.451	0.016	0.198
Compound_858	O=C(N1CCSC1)NC(=O)c1c(F)cccc1Cl	0.275	0.449	0.234	0.378	0.41	0.577	0.402	0.207	0.576	0.375	0.366
Compound_859	COc1cc(ccc1OC)S(=O)(=O)Nc1ccccc1Oc1ccc(cc1Cl)Cl	0.356	0.394	0.318	0.457	0.379	0.655	0.335	0.703	0.392	0.937	0.521
Compound_860	Cc1onc(c1C(=O)Nc1nnc(s1)C1CC1)c1c(F)cccc1Cl	0.488	0.71	0.8	0.567	0.619	0.708	0.991	0.854	0.412	0.692	0.443
Compound_861	Clc1ccc(cc1)CSc1nc(c2n1cccc2)C(=O)C(F)(F)F	0.399	0.567	0.03	0.534	0.532	0.636	0.888	0.829	0.443	0.667	0.874
Compound_862	O=C(Nc1ccc(cc1)Cl)CSc1ccc(nn1)n1nc(cc1C)C	0.382	0.517	0.975	0.73	0.646	0.818	0.328	0.83	0.518	0.009	0.21
Compound_863	Cc1ccc(c(c1)N(=O)=O)OCC1SCCN1C(=O)c1c(C)onc1c1c(Cl)cccc1Cl	0.431	0.71	0.781	0.727	0.918	0.757	0.328	0.976	0.422	0.98	0.5
Compound_864	COC(=O)c1ccccc1NS(=O)(=O)C	0.265	0.426	0.59	0.49	0.072	0.499	0.963	0.095	0.453	0.064	0.629
Compound_865	CCCOC(CC1CCc2c1cccc2)(CC(=O)NO)C=O	0.483	0.478	0.466	0.37	0.081	0.736	0.393	0.082	0.365	0.053	0.658
Compound_866	Cc1cc(n(n1)c1ccccc1)OC(=O)c1ccccc1	0.694	0.556	0.807	0.522	0.896	0.766	0.712	0.679	0.874	0.345	0.563
Compound_867	CCN(C(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C(=O)CC)CC	0.632	0.777	0.402	0.342	0.149	0.544	0.831	0.072	0.116	0.901	0.315
Compound_868	OC(=O)C1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C	0.333	0.646	0.001	0.162	0.229	0.539	0.315	0.046	0.339	0.018	0.044
Compound_869	CCCOc1c(cccc1OC)CC[NH+](CCOC(=O)Nc1ccccc1)CCOC(=O)Nc1ccccc1	0.279	0.567	0.667	0.544	0.5	0.763	0.273	0.38	0.344	0.115	0.457
Compound_870	Brc1ccc2c(c1NC1=NCC[NH2+]1)cccc2	0.336	0.492	0.445	0.3	0.645	0.622	0.123	0.021	0.553	0.045	0.205
Compound_871	CCOC(=O)c1cn(nc1CCC)C(=O)c1ccco1	0.464	0.558	0.527	0.508	0.174	0.412	0.043	0.162	0.467	0.28	0.506
Compound_872	O=C(Nc1cnn(c1C(F)(F)F)c1ccccc1)Nc1ccc(cc1)OC(F)(F)F	0.381	0.618	0.881	0.688	0.947	0.621	0.347	0.678	0.53	0.041	0.832
Compound_873	CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)NS(=O)(=O)c1ccc(cc1)Cl	0.288	0.438	0.691	0.538	0.697	0.612	0.949	0.902	0.229	0.562	0.617
Compound_874	CCOc1ccsc1C(=O)NNC(=O)c1ccc(cc1)N(=O)=O	0.668	0.656	0.898	0.417	0.562	0.712	0.944	0.511	0.475	0.881	0.597
Compound_875	NC(=O)c1sc(cc1N)c1ccc(cc1)C(C)(C)C	0.71	0.688	0.737	0.604	0.303	0.628	0.861	0.78	0.531	0.123	0.61
Compound_876	NC(=O)c1sc(cc1NC(=O)c1ccco1)c1ccccc1	0.479	0.597	0.887	0.627	0.365	0.671	0.932	0.958	0.428	0.137	0.776
Compound_877	Clc1ccc(s1)c1csc(n1)Nc1ccccc1	0.704	0.716	0.957	0.582	0.294	0.909	0.815	0.966	0.673	0.516	0.117
Compound_878	Clc1ccc(cc1)S(=O)(=O)Nc1scc(c1c1nc2c(s1)cccc2)C	0.582	0.547	0.777	0.464	0.586	0.769	0.981	0.685	0.393	0.863	0.246
Compound_879	COc1cccc(c1NC(=O)N1CCN(CC1)c1cc(nc2c1cccc2)C(F)(F)F)Cl	0.409	0.535	0.521	0.596	0.912	0.648	0.556	0.912	0.421	0.647	0.598
Compound_880	O=C(c1cc(oc1C)S(=O)(=O)N1CCOCC1)O/N=C(\c1ccc(cc1)C(C)(C)C)/N	0.322	0.629	0.024	0.477	0.08	0.574	0.871	0.02	0.44	0.67	0.357
Compound_881	OC(=O)CC(CC(=O)Nc1ccsc1C(=O)C)(C)C	0.176	0.518	0.067	0.19	0.331	0.626	0.168	0.152	0.418	0.097	0.308
Compound_882	NC(=NOC(=O)c1cc(Cl)cc(c1)Cl)CCn1nc(c(c1C)Oc1ccc(cc1)Cl)C	0.408	0.699	0.183	0.618	0.592	0.677	0.093	0.381	0.449	0.023	0.418
Compound_883	COc1ccc(cc1)c1c2nc(cc(=O)n2[nH]c1C(F)(F)F)c1cccc(c1)N(=O)=O	0.642	0.646	0.737	0.644	0.865	0.863	0.893	0.54	0.747	0.007	0.73
Compound_884	COc1ccc(cc1)c1ccnc(n1)c1ccncc1	0.521	0.732	0.981	0.755	0.549	0.707	0.215	0.947	0.76	0.424	0.622
Compound_885	OC(=O)CCn1nc(cc(c1=O)Cc1ccccc1)c1ccc(cc1)F	0.427	0.577	0.24	0.347	0.729	0.709	0.977	0.015	0.553	0.001	0.048
Compound_886	NC(=O)NC(=O)Cc1nc2c(s1)cccc2	0.475	0.466	0.862	0.429	0.367	0.799	0.521	0.493	0.811	0.006	0.257
Compound_887	COc1ccccc1N1CCN(CC1)C(=O)C(N1CCCc2c1ccc(c2)C)C	0.236	0.856	0.056	0.532	0.327	0.331	0.042	0.626	0.439	0.135	0.243
Compound_888	Fc1ccc(cc1)C(=O)c1sc2c(c1N)c(C)nc(n2)c1ccccc1	0.541	0.771	0.99	0.775	0.577	0.749	0.979	0.887	0.473	0.103	0.146
Compound_889	O=C(N1CCN(CC1)Cc1ccccc1)Nc1c(C)noc1C	0.102	0.608	0.222	0.326	0.604	0.39	0.002	0.027	0.472	0.046	0.079
Compound_890	O=C(C1CCN(CC1)C(=O)OCc1ccccc1)NC1Cc2c(C1)cccc2	0.086	0.538	0.208	0.282	0.162	0.542	0.195	0.49	0.457	0.5	0.187
Compound_891	CC(=CC#N)NC(=O)c1nccnc1C(=O)O	0.231	0.44	0.086	0.307	0.347	0.156	0.013	0.797	0.545	0.027	0.519
Compound_892	N#Cc1c(cccc1Cl)Oc1ccc(cc1)S(=O)(=O)NNc1c(Cl)cncc1Cl	0.38	0.282	0.352	0.361	0.658	0.667	0.104	0.478	0.395	0.454	0.585
Compound_893	Cc1ccc(cc1NS(=O)(=O)C)NC(=O)c1c(F)cccc1Cl	0.837	0.657	0.977	0.84	0.575	0.814	0.998	0.45	0.474	0.935	0.88
Compound_894	COc1ccc(cc1)SCCC(=O)NNS(=O)(=O)c1cn(c(n1)C)C	0.311	0.438	0.264	0.417	0.475	0.641	0.003	0.233	0.402	0.49	0.436
Compound_895	Clc1sc(c(c1)S(=O)(=O)NCC(c1ccccc1)O)Cl	0.093	0.424	0.046	0.201	0.202	0.698	0.011	0.03	0.288	0.015	0.334
Compound_896	N#CCCN(C(=O)Nc1cccc(c1)C(F)(F)F)Cc1cccs1	0.754	0.51	0.561	0.646	0.642	0.561	0.977	0.986	0.445	0.086	0.602
Compound_897	O=C(Nc1ccccc1N1CCOCC1)Nc1ccccc1	0.432	0.495	0.914	0.582	0.671	0.425	0.013	0.825	0.529	0.21	0.282
Compound_898	N#Cc1c(cccc1Cl)Oc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)N1CCCCC1	0.287	0.435	0.558	0.458	0.729	0.647	0.148	0.989	0.286	0.095	0.617
Compound_899	O=C(c1noc(c1)C)N1CCC2(CC1)OCCO2	0.121	0.524	0.235	0.428	0.494	0.428	0.006	0.112	0.408	0.084	0.196
Compound_900	O=C(c1cc(oc1C(F)(F)F)C)N1CCC(CC1)C(=O)O	0.192	0.481	0.11	0.435	0.045	0.271	0.547	0.986	0.329	0.08	0.103
Compound_901	O=C(Nc1ccccc1N1CCOCC1)CNC1Cc2c(C1)cccc2	0.141	0.561	0.219	0.221	0.507	0.456	0.006	0.13	0.369	0.073	0.5
Compound_902	Clc1ccc(cc1)Cn1[nH]nc2c1ncnc2=O	0.485	0.662	0.853	0.55	0.132	0.487	0.005	0.585	0.526	0.034	0.22
Compound_903	COc1ccc(cc1)N1C(=O)C2C(C1=O)C(=NN2c1ccc(cc1)N(=O)=O)c1ccc(cc1Cl)Cl	0.724	0.714	0.882	0.673	0.906	0.799	0.558	0.864	0.446	0.875	0.787
Compound_904	O=C(Nc1cc(ccc1N1CCCC1)C(F)(F)F)CSCC(=O)O	0.419	0.602	0.01	0.438	0.632	0.152	0.711	0.958	0.424	0.002	0.224
Compound_905	COc1ccc(cc1OC1CCCC1)C(=O)NNS(=O)(=O)c1ccc(s1)CNC(=O)c1ccc(cc1)Cl	0.409	0.416	0.307	0.312	0.623	0.704	0.051	0.583	0.416	0.675	0.469
Compound_906	O=C(N1c2ccccc2Sc2c1cccc2)CSc1nnc(n1c1ccccc1)c1ccncc1	0.398	0.557	0.906	0.645	0.635	0.679	0.863	0.466	0.389	0.006	0.253
Compound_907	Brc1ccc(cc1)n1nnnc1/C=C/Nc1noc(c1)C(C)(C)C	0.454	0.516	0.311	0.515	0.539	0.653	0.014	0.224	0.675	0.332	0.458
Compound_908	ON=C(C(Nc1ccc(cc1)Cl)(C)C)C	0.526	0.514	0.981	0.473	0.333	0.695	0.99	0.571	0.414	0.573	0.904
Compound_909	CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc(s1)Cl	0.219	0.311	0.407	0.331	0.425	0.618	0.016	0.869	0.368	0.585	0.445
Compound_910	O=C(Nc1[nH]nc(n1)SCc1ccc(cc1)Cl)COCC(=O)O	0.298	0.523	0.241	0.246	0.356	0.624	0.202	0.116	0.157	0.446	0.635
Compound_911	O=C(N1CCN(CC1)C(=O)C1CCCO1)Nc1cccs1	0.354	0.466	0.072	0.329	0.176	0.489	0.034	0.171	0.342	0.297	0.09
Compound_912	CCOC(=O)c1sc2=NCCCn2c1C	0.292	0.59	0.244	0.617	0.25	0.328	0.021	0.555	0.681	0.035	0.531
Compound_913	CCOC(=O)CSc1nnc(n1C)c1ccncc1	0.451	0.577	0.868	0.72	0.152	0.584	0.159	0.994	0.519	0.042	0.601
Compound_914	N#Cc1c[nH]n2c1nc1CCCCc1c2=O	0.301	0.596	0.067	0.442	0.358	0.499	0.002	0.122	0.495	0.004	0.362
Compound_915	O=C(Cn1nnc2c1cccc2)N/N=C/c1cccs1	0.441	0.493	0.887	0.481	0.524	0.576	0.107	0.729	0.449	0.036	0.203
Compound_916	N#Cc1c(NC(=O)CN2CCN(CC2)c2ccccc2)sc(c1C)C	0.221	0.52	0.56	0.156	0.327	0.386	0.015	0.208	0.432	0.053	0.192
Compound_917	Cc1cc(C)nc2c1c(=O)[nH]s2	0.151	0.665	0.83	0.473	0.008	0.294	0.101	0.466	0.894	0.393	0.587
Compound_918	CCOC(=O)N1CCc2c(C1)sc1c2c(ncn1)n1ncc(c1N)C(=O)OCC	0.599	0.729	0.977	0.579	0.453	0.645	0.346	0.125	0.462	0.083	0.513
Compound_919	COc1ccc(cc1)/C=N/N1C(=NC(=Cc2cccs2)C1=O)c1ccccc1	0.651	0.695	0.653	0.69	0.409	0.903	0.192	0.373	0.429	0.154	0.211
Compound_920	O=C1c2ccccc2C(=O)N1n1c(C)ccc1C	0.499	0.527	0.883	0.528	0.405	0.56	0.821	0.782	0.78	0.338	0.618
Compound_921	NC(=NNC=C1C=C(C=C(C1=O)Cl)N(=O)=O)N	0.441	0.467	0.756	0.653	0.696	0.707	0.062	0.987	0.675	0.383	0.863
Compound_922	Brc1ccc(cc1)NC(=O)C1=C(NC(=O)C1=O)c1ccccc1	0.524	0.667	0.994	0.704	0.411	0.653	0.937	0.8	0.408	0.715	0.861
Compound_923	COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OCC1OC(CC1O)n1ccc(nc1=O)N	0.754	0.549	0.011	0.428	0.704	0.461	0.03	0.222	0.39	0.01	0.866
Compound_924	CS/C(=N\C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C	0.056	0.14	0.239	0.515	0.068	0.067	0.046	0.994	0.386	0.092	0.682
Compound_925	COc1ccc2c(c1)CCCC2=Nc1ccccc1C(F)(F)F	0.696	0.666	0.836	0.703	0.985	0.926	0.936	0.35	0.635	0.312	0.949
Compound_926	O=c1[nH]c2ccccc2nc1c1c[nH]c2c1cccc2	0.409	0.777	0.977	0.486	0.558	0.729	0.929	0.326	0.826	0.149	0.81
Compound_927	Oc1ccccc1C=NCC1CCC(CC1)CN=Cc1ccccc1O	0.693	0.615	0.493	0.648	0.679	0.947	0.376	0.175	0.373	0.743	0.665
Compound_928	CC(=O)C1=C(O)C(=O)NCC1c1ccc(cc1)Br	0.15	0.595	0.409	0.293	0.133	0.605	0.03	0.366	0.441	0.106	0.326
Compound_929	COc1cc2c(cc1OC)CCN=C2c1ccccc1N	0.565	0.788	0.99	0.625	0.648	0.817	0.609	0.841	0.844	0.014	0.357
Compound_930	COCc1cc(=O)n2c(n1)cc([nH]2)C	0.505	0.538	0.192	0.388	0.224	0.613	0.044	0.288	0.763	0.001	0.147
Compound_931	Clc1ccc(cc1)S(=O)(=O)/C(=C/Nc1cc(C)nc(n1)C)/C(=O)C	0.342	0.566	0.581	0.446	0.624	0.77	0.073	0.622	0.35	0.611	0.192
Compound_932	N#C/C(=C\NN1CCCCC1)/S(=O)(=O)C(C)(C)C	0.094	0.313	0.204	0.563	0.28	0.206	0.0	0.993	0.467	0.743	0.441
Compound_933	NC(=O)c1ccc(s1)c1ccccn1	0.399	0.608	0.584	0.418	0.247	0.718	0.006	0.171	0.601	0.025	0.279
Compound_934	O=C(c1ccc(cc1)C(F)(F)F)Nc1sc(c(n1)c1ccc(c(c1)Cl)C)C	0.643	0.759	0.85	0.683	0.5	0.865	0.994	0.689	0.462	0.302	0.464
Compound_935	Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1csc(n1)CS(=O)(=O)Cc1ccco1	0.475	0.271	0.025	0.345	0.612	0.696	0.352	0.578	0.402	0.466	0.5
Compound_936	Nc1nc(ncc1S(=O)(=O)Cc1ccco1)c1ccncc1	0.232	0.463	0.855	0.621	0.453	0.632	0.021	0.953	0.399	0.006	0.136
Compound_937	N#C/C(=C\Nc1ccc(cc1)OC(F)(F)F)/C(=O)c1cccs1	0.629	0.661	0.72	0.561	0.774	0.756	0.114	0.933	0.425	0.338	0.951
Compound_938	CSC(=CC(=O)c1sc2c(c1C)c(cs2)C)SC	0.478	0.667	0.893	0.565	0.578	0.672	0.985	0.91	0.6	0.998	0.942
Compound_939	CSc1nccc(n1)c1ccc(s1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F	0.525	0.45	0.947	0.623	0.524	0.681	0.74	0.897	0.43	0.071	0.277
Compound_940	N#C/C(=C\Nc1ccccc1Cl)/C(=O)c1sc(c2c1CCC=C2)SC	0.655	0.687	0.952	0.556	0.738	0.675	0.881	0.982	0.454	0.956	0.95
Compound_941	O=C(c1cccc(c1Cl)Cl)NN=Cc1ccc2c(c1)CCC(O2)(C)C	0.688	0.61	0.911	0.471	0.567	0.862	0.173	0.98	0.422	0.513	0.368
Compound_942	N#CC(=C1SCCCCS1)S(=O)(=O)c1ccccc1	0.653	0.519	0.141	0.6	0.674	0.575	0.975	0.894	0.431	0.951	0.463
Compound_943	Cc1ccc(cc1)S(=O)(=O)/N=S(/c1ccc(cn1)C(F)(F)F)\C	0.481	0.467	0.838	0.616	0.355	0.499	0.872	0.94	0.297	0.376	0.5
Compound_944	CC(Sc1c(cnc2c1c(C)nn2C)C(=O)N=S(=O)(c1ccc(cc1)C)C)C	0.371	0.558	0.932	0.587	0.52	0.648	0.394	0.938	0.305	0.596	0.401
Compound_945	CCOC(=O)/C(=C/Nc1onc(c1)C)/C#N	0.666	0.528	0.811	0.598	0.709	0.435	0.011	0.639	0.53	0.287	0.885
Compound_946	N#C/C(=C\Nc1cccc2c1nsn2)/C(=O)C(C)(C)C	0.56	0.515	0.964	0.485	0.631	0.332	0.006	0.942	0.477	0.745	0.773
Compound_947	OC(=O)CSCCOc1ccccc1	0.324	0.176	0.119	0.386	0.644	0.299	0.933	0.258	0.435	0.179	0.13
Compound_948	COC(=O)CNC(=O)c1cccnc1Sc1ccc(cc1)Cl	0.268	0.496	0.653	0.405	0.512	0.413	0.114	0.351	0.29	0.114	0.322
Compound_949	CCOC(=O)CC1Sc2ccccc2NC1=S	0.444	0.459	0.558	0.496	0.606	0.471	0.836	0.823	0.306	0.375	0.562
Compound_950	COC(=O)c1c(OC)ccc(c1OC)NC(=O)CSc1nc(C)cc(n1)C	0.38	0.53	0.983	0.467	0.5	0.569	0.7	0.025	0.37	0.394	0.307
Compound_951	CCOC(=O)C(NC(=O)c1ccccc1)Cc1cccc(c1)C(=O)OC	0.304	0.594	0.57	0.47	0.05	0.437	0.742	0.047	0.381	0.176	0.148
Compound_952	Clc1c(c2ccccc2)n(c2ccccc2)c(=O)c(c1O)c1ccccc1	0.385	0.666	0.349	0.784	0.991	0.99	0.95	0.98	0.612	0.224	0.539
Compound_953	Clc1ccc(cc1)C(=O)NCC1COc2c(O1)cccc2	0.037	0.502	0.229	0.244	0.152	0.662	0.484	0.641	0.357	0.253	0.631
Compound_954	OCC1OC2CC1Oc1n2cc(c(=O)n1)C	0.388	0.446	0.007	0.366	0.026	0.072	0.001	0.007	0.105	0.035	0.577
Compound_955	CCOC(=O)C1=C(C)NC(=C(C1c1ccco1)C(=O)OCC)C	0.463	0.594	0.74	0.546	0.076	0.347	0.929	0.393	0.422	0.406	0.958
Compound_956	S=c1nc(c2ccco2)n(c(=S)n1C(=NCc1ccccc1)c1ccco1)Cc1ccccc1	0.484	0.563	0.215	0.551	0.202	0.839	0.98	0.771	0.445	0.856	0.477
Compound_957	Fc1ccc(cc1)S(=O)(=O)C/C(=N\OC(=O)c1ccc(cc1)Cl)/N	0.333	0.435	0.114	0.506	0.488	0.644	0.079	0.06	0.368	0.113	0.359
Compound_958	O=C(NNC(=O)c1ccc(cc1)Cl)CSCc1c(C)c(C)c(c(c1C)C)C	0.505	0.619	0.71	0.422	0.5	0.824	0.981	0.093	0.445	0.874	0.397
Compound_959	CCCN(S(=O)(=O)c1ccc(cc1)C(=O)N(Cc1ccc(c(c1)OC)OC)Cc1ccccc1)CCC	0.166	0.58	0.117	0.525	0.252	0.823	0.139	0.175	0.354	0.201	0.157
Compound_960	NC(=O)N/N=C/c1ccc2c(c1)OCO2	0.394	0.394	0.99	0.349	0.131	0.453	0.009	0.007	0.413	0.033	0.439
Compound_961	Clc1cccc(c1CSc1nc2ccccc2n2c1ccc2)Cl	0.585	0.492	0.223	0.505	0.701	0.772	0.909	0.25	0.341	0.924	0.822
Compound_962	CCOC(=O)NC(=O)c1cn(Nc2cccc(n2)C(F)(F)F)c(=O)[nH]c1=O	0.53	0.458	0.173	0.253	0.38	0.587	0.297	0.79	0.364	0.007	0.528
Compound_963	S=C(NCc1ccco1)NNC(=NS(=O)(=O)c1ccccc1)N1CCCC1	0.125	0.369	0.264	0.491	0.267	0.66	0.054	0.572	0.389	0.015	0.492
Compound_964	Cc1ccc(c(c1)Cn1n(C)c2c(c1=O)cnc1c2c(C)nn1C)C	0.452	0.745	0.964	0.521	0.297	0.688	0.755	0.238	0.684	0.036	0.143
Compound_965	COc1cccc(c1C(=O)Nc1cc2c(c(c1C)N(=O)=O)C(CC2(C)C)(C)C)OC	0.698	0.756	0.68	0.712	0.716	0.879	0.844	0.973	0.807	0.846	0.789
Compound_966	S=C1NC2(NN1c1ccccc1)CCCC2	0.475	0.336	0.166	0.366	0.258	0.575	0.822	0.445	0.448	0.077	0.361
Compound_967	O=C(c1nnn2c1nc(N)c1c2cccc1)N1CCOCC1	0.276	0.7	0.195	0.442	0.525	0.693	0.073	0.264	0.421	0.117	0.134
Compound_968	CN(/C=C(/C(=O)C1CC1)\C#N)C	0.835	0.335	0.076	0.342	0.49	0.079	0.003	0.932	0.484	0.787	0.876
Compound_969	Clc1ccc(c(c1)Cl)NCc1cccnc1	0.462	0.634	0.945	0.524	0.22	0.602	0.005	0.621	0.592	0.48	0.345
Compound_970	O=C(C1CCC(N1)C(=O)NCc1ccccc1)NCc1ccccc1	0.067	0.366	0.074	0.275	0.021	0.303	0.291	0.007	0.346	0.02	0.361
Compound_971	CSc1ccccc1NC(=O)NCc1ccccc1F	0.863	0.482	0.971	0.598	0.783	0.333	0.285	0.359	0.525	0.062	0.5
Compound_972	O=C(c1cncc(c1)C#Cc1ccccc1)NC(=S)N1CCc2c1cccc2	0.569	0.611	0.454	0.303	0.319	0.789	0.604	0.131	0.491	0.521	0.274
Compound_973	O/N=C/c1c(C)nn(c1C)C(C)(C)C	0.347	0.451	0.239	0.436	0.212	0.481	0.022	0.084	0.816	0.238	0.788
Compound_974	NNC(=O)c1sccc1n1c(C)ccc1C	0.278	0.494	0.74	0.358	0.518	0.67	0.836	0.476	0.669	0.026	0.336
Compound_975	Clc1ccc2c(c1)nccc2Nc1ccccc1Cl	0.646	0.756	0.9	0.547	0.79	0.508	0.671	0.662	0.941	0.994	0.711
Compound_976	O=C(NN=C(C)C)NCc1ccccc1	0.231	0.233	0.972	0.354	0.035	0.192	0.01	0.261	0.424	0.007	0.069
Compound_977	CCOc1ccc(cc1)C(=O)/C=C/C(=O)O	0.767	0.249	0.709	0.561	0.533	0.881	0.956	0.901	0.718	0.628	0.413
Compound_978	O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)NNC(=O)c1cccs1	0.549	0.566	0.716	0.571	0.659	0.754	0.748	0.909	0.411	0.583	0.516
Compound_979	O=C(Nc1ccccc1)CSc1nncn1c1ccc(cc1)OCc1ccccc1	0.554	0.471	0.961	0.585	0.568	0.841	0.825	0.219	0.456	0.085	0.457
Compound_980	CSc1nnc(s1)SCc1cc(=O)oc2c1ccc(c2)O	0.444	0.621	0.951	0.511	0.774	0.796	0.415	0.26	0.396	0.149	0.745
Compound_981	Clc1ccc(cc1)C(=O)NNc1snc(n1)c1cccs1	0.352	0.481	0.958	0.452	0.481	0.735	0.875	0.231	0.566	0.254	0.336
Compound_982	C/C=C/C=N/NC(=O)N/N=C/C=C/C	0.285	0.117	0.909	0.484	0.209	0.048	0.002	0.983	0.416	0.681	0.285
Compound_983	Nc1nccc(n1)c1onc(c1)c1cccc(c1)C(F)(F)F	0.433	0.728	0.956	0.715	0.509	0.61	0.931	0.435	0.588	0.025	0.649
Compound_984	Clc1ccc(cc1)NC(=O)c1cccc(c1)Cn1cc(ccc1=O)C(F)(F)F	0.672	0.498	0.982	0.834	0.724	0.956	0.993	0.944	0.622	0.359	0.757
Compound_985	Cc1c(cc(c(=S)[nH]1)C#N)C(=O)OCC	0.654	0.531	0.89	0.476	0.809	0.553	0.972	0.014	0.634	0.255	0.859
Compound_986	Clc1ccc(cc1)c1scc(n1)c1sc2c(c1C)cc(cc2)Cl	0.806	0.623	0.979	0.727	0.691	0.743	1.0	0.812	0.809	0.888	0.392
Compound_987	CN(/C=C/C(=O)c1csc(n1)C)C	0.444	0.471	0.631	0.443	0.197	0.56	0.457	0.949	0.738	0.652	0.66
Compound_988	O=C(C1CCCS1)NNc1cc(Cl)ccc1Cl	0.285	0.46	0.473	0.36	0.526	0.588	0.997	0.761	0.434	0.699	0.37
Compound_989	O=C(Nc1ccc(cc1)Cl)CSc1nc2c(n1C(C)C)ccc(c2)Cl	0.519	0.456	0.975	0.721	0.594	0.85	0.895	0.332	0.439	0.407	0.507
Compound_990	Cc1nnsc1C(=O)n1nccc1c1cnn(c1C)c1ccccc1	0.532	0.511	0.802	0.495	0.695	0.649	0.907	0.909	0.737	0.171	0.335
Compound_991	COC(=O)c1c(C)oc(c1S(=O)(=O)NN(c1ccc(cn1)N(=O)=O)C)C	0.417	0.366	0.899	0.433	0.364	0.595	0.171	0.248	0.373	0.598	0.594
Compound_992	COc1ccc2c(c1)cc([nH]2)C(=O)Nc1nc2c(s1)cccc2	0.7	0.749	0.997	0.686	0.589	0.683	0.968	0.808	0.961	0.9	0.733
Compound_993	Clc1ccc(c(c1)Cl)C(=O)O/N=C/1\CCCc2c1cco2	0.491	0.598	0.588	0.601	0.721	0.802	0.958	0.645	0.496	0.809	0.953
Compound_994	OC(=O)c1cc(n(c1C)Cc1cccs1)C	0.407	0.561	0.528	0.361	0.494	0.725	0.041	0.385	0.664	0.004	0.449