Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC1C=CC2C1C1CCC2C1	0.968	0.406	0.083	0.493	0.804	0.15	0.858	0.327	0.429	0.797	0.42
Compound_2	CCC(OC(=O)c1ccccc1)OC(OC(=O)c1ccccc1)CC	0.568	0.569	0.567	0.693	0.139	0.827	0.98	0.843	0.627	0.515	0.845
Compound_3	COc1ccc(cc1)C(=C(C(=O)OC)C#N)C	0.864	0.49	0.499	0.696	0.693	0.418	0.797	0.839	0.617	0.68	0.858
Compound_4	OCCN1CCOC1=Nc1ccccc1	0.189	0.323	0.447	0.504	0.077	0.258	0.14	0.032	0.167	0.012	0.113
Compound_5	CC(CNCc1ccccc1)O	0.01	0.129	0.01	0.264	0.001	0.023	0.005	0.004	0.077	0.03	0.006
Compound_6	CCCOC1C(OC(C1O)OCC)C(OCc1ccc(cc1)Cl)COCc1ccc(cc1)Cl	0.084	0.537	0.306	0.648	0.641	0.86	0.028	0.04	0.207	0.688	0.455
Compound_7	COC(COP(=O)(O)O)(OC)CO	0.593	0.13	0.006	0.306	0.07	0.078	0.106	0.01	0.365	0.238	0.185
Compound_8	CCCCCCCC[Sn]=O	0.861	0.162	0.268	0.536	0.875	0.949	0.996	0.966	0.985	1.0	0.676
Compound_9	O=C=Nc1cc(ccc1C)N1C(=O)N(C1=O)c1ccc(c(c1)N=C=O)C	0.667	0.573	0.917	0.569	0.818	0.694	0.946	0.315	0.834	0.341	0.326
Compound_10	O=C1NCCOC(=C1)C	0.053	0.408	0.043	0.431	0.282	0.057	0.007	0.917	0.511	0.15	0.248
Compound_11	CCCc1ccccn1=O	0.125	0.249	0.238	0.491	0.104	0.303	0.028	0.731	0.841	0.588	0.812
Compound_12	O=C(OCC(N(=O)=O)(N(=O)=O)F)OCC(N(=O)=O)(N(=O)=O)F	0.354	0.162	0.388	0.637	0.174	0.105	0.038	0.998	0.714	0.651	0.587
Compound_13	CC(=O)OC1C=CC(=NC2C=CC(=O)C(=C2Cl)Cl)C=C1	0.463	0.574	0.617	0.687	0.966	0.892	0.415	0.996	0.906	0.913	0.505
Compound_14	OCCN(c1ccc(cc1)[N+]#N)C	0.707	0.34	0.542	0.393	0.092	0.436	0.056	0.647	0.267	0.002	0.275
Compound_15	CCCCCCCCC=CCCCCCCO	0.982	0.078	0.123	0.558	0.364	0.3	0.991	0.632	0.271	0.947	0.622
Compound_16	CC(=C)C(=O)OCCOC(=O)c1ccccc1C(=O)O	0.78	0.374	0.279	0.441	0.124	0.062	0.984	0.351	0.601	0.979	0.741
Compound_17	COc1cc([N+]#N)c(cc1N=Nc1ccc(cc1)N(=O)=O)OC	0.931	0.858	0.984	0.71	0.444	0.648	0.968	0.859	0.605	0.976	0.971
Compound_18	CCN(c1ccc2c(c1)oc(=N)c(c2)C1N(C)c2c(N1C)cccc2)CC	0.505	0.726	0.99	0.588	0.675	0.646	0.117	0.97	0.812	0.685	0.401
Compound_19	CC(=O)OC(C1CC2CC1C=C2)(C)C	0.942	0.266	0.029	0.608	0.82	0.06	0.661	0.996	0.445	0.997	0.662
Compound_20	NC(=O)N(S(=O)(=O)[O-])O	0.424	0.153	0.007	0.164	0.538	0.116	0.011	0.154	0.436	0.003	0.459
Compound_21	CCCCCCOCC(COc1ccccc1C(=O)[O-])O	0.511	0.351	0.042	0.442	0.171	0.019	0.534	0.471	0.519	0.979	0.719
Compound_22	BrC(C(=O)O)CCC(C(=O)O)Br	0.378	0.034	0.062	0.458	0.685	0.135	0.352	0.994	0.106	0.081	0.595
Compound_23	CN(C1CCC2(C(C1)CCC1C2CCC23C1CCC3C(OC2)C)C)C	0.756	0.544	0.018	0.251	0.49	0.965	0.006	0.45	0.103	0.032	0.702
Compound_24	COc1c(OC)c(OC)cc2c1c1ccc(c(=O)cc1C(CC2)N)O	0.816	0.765	0.421	0.703	0.201	0.248	0.071	0.902	0.916	0.006	0.231
Compound_25	[S-]C(=O)SCC(CC)C	0.763	0.092	0.145	0.637	0.384	0.206	0.987	0.141	0.348	0.992	0.965
Compound_26	CCCCCCCOC(=S)[S-]	0.933	0.108	0.27	0.776	0.052	0.287	0.999	0.79	0.816	1.0	0.983
Compound_27	CP(Cl)(Cl)(Cl)Cl	0.781	0.241	0.428	0.605	0.815	0.271	0.966	0.99	0.941	0.997	0.693
Compound_28	CCCCCCC(CCCCCCCCCCCO)O	0.928	0.111	0.05	0.573	0.129	0.199	0.986	0.361	0.124	0.4	0.376
Compound_29	FC(C(Cl)(Cl)F)(C(F)(F)F)F	0.949	0.068	0.726	0.635	0.579	0.295	0.988	0.394	0.164	0.999	0.931
Compound_30	Nc1cc(Cl)c(c(c1)Cl)F	0.952	0.271	0.989	0.588	0.52	0.176	0.995	0.988	0.889	0.992	0.447
Compound_31	NCCc1c(C)[nH]c2c1cccc2	0.188	0.48	0.771	0.402	0.463	0.674	0.029	0.081	0.401	0.002	0.197
Compound_32	ClCCCC(c1ccccc1)c1ccccc1	0.863	0.561	0.408	0.595	0.786	0.856	0.989	0.946	0.064	0.995	0.949
Compound_33	OC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(cc1)C	0.106	0.39	0.083	0.199	0.138	0.138	0.258	0.035	0.413	0.013	0.077
Compound_34	O=CC1OC(C)OCC1O	0.396	0.235	0.044	0.479	0.036	0.4	0.044	0.139	0.301	0.244	0.038
Compound_35	N#CCNc1ccc(cc1)Cl	0.87	0.305	0.812	0.492	0.362	0.21	0.033	0.476	0.784	0.136	0.79
Compound_36	COc1ccc(cc1)NCC#N	0.623	0.254	0.82	0.561	0.261	0.307	0.001	0.534	0.782	0.022	0.654
Compound_37	OC(=O)C(c1ccc2c(c1)OCO2)O	0.143	0.321	0.616	0.274	0.245	0.222	0.365	0.082	0.26	0.647	0.842
Compound_38	CN(C1C(=CC(=O)C2(C1CC1C(=C2O)C(=O)c2c(C1(C)O)cccc2)O)O)C	0.195	0.727	0.052	0.226	0.311	0.587	0.039	0.796	0.26	0.013	0.463
Compound_39	CN(c1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N(C)C)C	0.879	0.83	0.98	0.654	0.955	0.922	0.914	0.982	0.823	0.92	0.787
Compound_40	Nc1c(Oc2ccc(cc2)OS(=O)(=O)c2ccccc2C)cc(c2c1C(=O)c1ccccc1C2=O)O	0.698	0.485	0.963	0.761	0.907	0.755	0.966	0.914	0.411	0.109	0.623
Compound_41	Cc1cccc2c1cc1ccccc1n2	0.861	0.563	0.968	0.606	0.768	0.378	0.941	0.983	0.812	0.926	0.905
Compound_42	CC(=O)OCC=C(CC(C)(C)C)C	0.916	0.051	0.49	0.58	0.522	0.108	0.968	0.994	0.908	0.997	0.934
Compound_43	O=C(c1ccccc1OCC1CO1)CCc1ccccc1	0.154	0.563	0.322	0.583	0.793	0.647	0.958	0.983	0.684	0.967	0.944
Compound_44	CC1=CCC(CC1)C1(C)CCC(=O)C(O1)(C)C	0.921	0.733	0.331	0.588	0.07	0.104	0.201	0.384	0.218	0.957	0.738
Compound_45	C=CC(CC=CC(=C)C)(O)C	0.747	0.109	0.247	0.608	0.321	0.059	0.05	0.961	0.615	0.752	0.903
Compound_46	CC(C(C(C(C)(C)C)C)(C)C)C(SSC(C(C(C(C(C)(C)C)C)(C)C)C)(C)C)(C)C	0.942	0.057	0.044	0.48	0.317	0.278	0.991	0.236	0.811	0.999	0.697
Compound_47	O=N1=CCCC1(C)C	0.34	0.349	0.174	0.479	0.012	0.098	0.066	0.738	0.652	0.017	0.81
Compound_48	O=C(OCc1ccccc1)NCCCCC(C(=O)O)NC(=O)OC(C)(C)C	0.059	0.293	0.024	0.219	0.035	0.094	0.004	0.816	0.383	0.055	0.109
Compound_49	COC(=O)C(NC(=O)OCc1ccccc1)CCCCNC(=O)OC(C)(C)C	0.139	0.344	0.092	0.351	0.034	0.066	0.008	0.943	0.387	0.005	0.096
Compound_50	CCCCCCCCC=CCCCCCCCCCC(=O)OC	0.967	0.006	0.522	0.637	0.35	0.052	1.0	0.987	0.351	1.0	0.914
Compound_51	Nc1ccc2c(c1)[n+](c1ccccc1)c1c(n2)ccc(c1)N(C)C	0.628	0.799	0.987	0.555	0.853	0.672	0.112	0.991	0.626	0.81	0.88
Compound_52	NCC(=O)C(C(=O)O)(Cc1c[nH]c2c1cccc2)N	0.24	0.536	0.32	0.246	0.304	0.625	0.048	0.109	0.278	0.0	0.389
Compound_53	Nc1ccc(cc1)c1c2ccccc2nc2c1cc(C)c(c2)N	0.867	0.85	0.992	0.827	0.978	0.876	0.812	0.98	0.684	0.709	0.874
Compound_54	[O-]S(=O)(=O)c1cccc(c1)SSc1cccc(c1)S(=O)(=O)[O-]	0.824	0.535	0.838	0.472	0.657	0.684	0.987	0.973	0.398	0.986	0.378
Compound_55	CCOC(=O)C=C(OC(=O)C)C	0.891	0.135	0.817	0.739	0.552	0.166	0.999	0.976	0.908	0.986	0.962
Compound_56	COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC	0.774	0.042	0.368	0.513	0.189	0.514	0.982	0.299	0.746	0.974	0.785
Compound_57	CCC(N(=O)=O)(COC(=O)Nc1ccccc1)Br	0.733	0.492	0.847	0.748	0.409	0.527	0.669	0.995	0.454	0.206	0.299
Compound_58	CC(=O)OCCc1ccc(cc1)C	0.47	0.118	0.638	0.656	0.081	0.087	0.995	0.521	0.794	0.175	0.367
Compound_59	BrC(=O)Cc1ccccc1	0.693	0.133	0.545	0.71	0.152	0.144	0.999	0.972	0.579	0.99	0.818
Compound_60	O=C(OOC(C)(C)C)CCCCCCCCC(=O)OOC(C)(C)C	0.964	0.048	0.126	0.527	0.097	0.063	0.995	0.935	0.067	0.687	0.779
Compound_61	CC1CCC2C1=CC(CCC2C)C(=C)C	0.99	0.365	0.333	0.573	0.375	0.032	0.827	0.993	0.71	0.999	0.771
Compound_62	CCCCCCCCCCCCCCCC=CC(=O)O	0.957	0.017	0.124	0.317	0.867	0.509	1.0	0.645	0.968	0.978	0.645
Compound_63	CCCCCCCCCCCCCCCCC(C(=O)O)(O)O	0.672	0.065	0.018	0.245	0.077	0.077	0.964	0.46	0.133	0.594	0.097
Compound_64	COC(=O)C(=C)CC(=O)O	0.809	0.114	0.048	0.188	0.212	0.029	0.954	0.777	0.75	0.587	0.879
Compound_65	O=C1NC2C(N1)N(C(=O)N2Cl)Cl	0.064	0.407	0.399	0.394	0.08	0.071	0.0	0.9	0.573	0.712	0.617
Compound_66	CC(NNC(C)C)C	0.211	0.057	0.236	0.511	0.074	0.218	0.001	0.654	0.276	0.967	0.253
Compound_67	CCC(C(C)C)C=O	0.859	0.066	0.214	0.483	0.023	0.073	0.986	0.246	0.646	0.991	0.89
Compound_68	OC1*C*(N2CCCCC2)C(*C(*1)N1CCCCC1)O	0.482	0.36	0.015	0.102	0.01	0.174	0.001	0.018	0.483	0.021	0.464
Compound_69	CCCCCCCCCCCCCC[N+](Cc1ccc(c(c1)Cl)Cl)(C)C	0.584	0.559	0.371	0.645	0.083	0.778	0.95	0.955	0.73	0.219	0.167
Compound_70	OCC1OC(=O)C(C(C1O)O)NC(=O)C	0.03	0.352	0.009	0.267	0.054	0.029	0.002	0.029	0.382	0.022	0.05
Compound_71	O=N(=O)c1cc(cc(c1Sc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O)N(=O)=O	0.813	0.503	0.943	0.647	0.716	0.471	0.802	0.992	0.8	1.0	0.939
Compound_72	OC(C(C(=O)OC(C)C)O)C(=O)OC(C)C	0.653	0.112	0.026	0.494	0.149	0.161	0.15	0.257	0.638	0.033	0.703
Compound_73	O=C(c1ccccc1O)OCC1CCCO1	0.603	0.295	0.063	0.642	0.522	0.135	0.461	0.098	0.128	0.97	0.639
Compound_74	OCC(=CC(=O)CC(C1C(O)CC2(C1(C)CC(=O)C1(C2CC=C2C1C=C(O)C(=O)C2(C)C)C)C)(O)C)C	0.848	0.96	0.013	0.666	0.9	0.925	0.129	0.382	0.134	0.029	0.19
Compound_75	CCCCCCC1C(CCC1=O)CC(=O)OC	0.881	0.359	0.162	0.513	0.006	0.017	0.636	0.812	0.341	0.947	0.794
Compound_76	OC1(O)CCCCCCCCCCC1	0.917	0.196	0.496	0.501	0.166	0.075	0.936	0.679	0.427	0.425	0.427
Compound_77	CCCCCCCC(=O)OCCN=C(C(=NCCOC(=O)CCCCCCC)S)S	0.371	0.168	0.082	0.506	0.206	0.286	0.976	0.021	0.417	0.927	0.5
Compound_78	Cc1cc(Cc2cc(C)cc(c2O)C(c2ccccc2)C)c(c(c1)C(c1ccccc1)C)O	0.676	0.578	0.57	0.571	0.984	0.995	0.036	0.881	0.715	0.967	0.664
Compound_79	CCCC[Sn](SCC(=O)OCCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)SCC(=O)OCCCCCCCCCCCC	0.767	0.059	0.156	0.703	0.96	0.975	0.998	0.969	0.708	0.997	0.714
Compound_80	Oc1ccccc1C(P(=O)(O)O)NCCNC(P(=O)(O)O)c1ccccc1O	0.132	0.47	0.013	0.22	0.532	0.479	0.019	0.002	0.138	0.036	0.194
Compound_81	CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-]	0.435	0.141	0.009	0.099	0.083	0.357	0.849	0.192	0.319	0.281	0.521
Compound_82	Oc1ccc2c(c1)OC(C(C2=O)O)c1ccc(c(c1)O)O	0.261	0.794	0.101	0.563	0.871	0.453	0.21	0.104	0.263	0.264	0.738
Compound_83	O=CC(CC1CC2CC1CC2)C	0.972	0.326	0.147	0.423	0.156	0.26	0.567	0.417	0.44	0.999	0.549
Compound_84	COC1COCCO1	0.763	0.252	0.103	0.453	0.029	0.055	0.94	0.21	0.788	0.608	0.399
Compound_85	CCCCCCOC(=O)C(CCCC)CC	0.777	0.012	0.172	0.684	0.053	0.016	0.984	0.565	0.716	0.997	0.905
Compound_86	ClS(=O)C(Cl)(Cl)Cl	0.843	0.134	0.407	0.661	0.742	0.391	0.862	0.992	0.133	1.0	0.645
Compound_87	ONC(=N)NN=Cc1c(Cl)cccc1Cl	0.524	0.463	0.971	0.442	0.443	0.63	0.027	0.238	0.269	0.355	0.479
Compound_88	CC(CCCCCC(=O)OOC(C)(C)C)C	0.959	0.032	0.438	0.5	0.088	0.028	0.893	0.78	0.029	0.971	0.649
Compound_89	Ic1ccc2c(c1O)nc(cc2)S(=O)(=O)O	0.679	0.398	0.97	0.439	0.663	0.656	0.177	0.956	0.381	0.859	0.517
Compound_90	CC(=O)C(=Cc1ccc(cc1)C(C)C)C	0.913	0.364	0.699	0.556	0.068	0.136	0.096	0.894	0.903	0.999	0.922
Compound_91	O=Cc1cc(OC)c(c(c1)C(=O)O)O	0.216	0.153	0.035	0.333	0.171	0.162	0.088	0.023	0.435	0.171	0.16
Compound_92	O=C(C(Cc1c[nH]c2c1cccc2)N)Nc1ccc2c(c1)cccc2	0.233	0.542	0.992	0.515	0.478	0.69	0.998	0.892	0.628	0.465	0.815
Compound_93	OC(CCl)COC(=O)C=C	0.972	0.163	0.123	0.736	0.729	0.583	0.957	0.986	0.834	0.927	0.796
Compound_94	COc1ccc(cc1)C(c1ccccn1)O	0.047	0.694	0.275	0.594	0.201	0.373	0.003	0.133	0.523	0.286	0.846
Compound_95	CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(O)O	0.922	0.135	0.033	0.551	0.183	0.138	0.99	0.008	0.183	0.806	0.28
Compound_96	CCCCCC(=O)NCC(O)C	0.021	0.082	0.007	0.287	0.011	0.023	0.001	0.118	0.177	0.013	0.033
Compound_97	OC(=O)C(Nc1ccc(cc1N(=O)=O)N(=O)=O)CSSCC(C(=O)O)Nc1ccc(cc1N(=O)=O)N(=O)=O	0.705	0.458	0.71	0.315	0.885	0.349	0.022	0.753	0.408	0.818	0.631
Compound_98	OS(=O)(=O)c1ccc(cc1)NCc1ccccc1	0.516	0.279	0.775	0.244	0.558	0.478	0.266	0.019	0.318	0.017	0.383
Compound_99	O=C=NCCCCCCCCC=CC1C(CCCCCCCCN=C=O)C=CC(C1CCCCCC)CCCCCC	0.936	0.29	0.671	0.547	0.459	0.744	0.843	0.795	0.973	0.977	0.332
Compound_100	COc1ccc(c(c1)OC)NC(=O)C(C(=O)C)N=Nc1ccc(cc1)S(=O)(=O)NCCSS(=O)(=O)[O-]	0.25	0.438	0.479	0.451	0.472	0.565	0.054	0.403	0.379	0.136	0.523
Compound_101	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)c1ccc(cc1)Cl)C)C	0.91	0.95	0.945	0.739	0.974	0.992	0.297	0.483	0.206	1.0	0.207
Compound_102	CN([Si](c1ccccc1)(c1ccccc1)Cl)C	0.655	0.496	0.751	0.723	0.256	0.529	0.511	0.908	0.876	0.889	0.628
Compound_103	CCCCCCCCCCCCCCCCC=C[NH3+]	0.621	0.083	0.322	0.612	0.375	0.195	0.484	0.861	1.005	0.995	0.647
Compound_104	CC[N+](CCOC(=O)C(c1ccccc1)C1CCCCC1)(CC)C	0.112	0.601	0.022	0.61	0.082	0.119	0.207	0.027	0.131	0.017	0.1
Compound_105	CCCCCCCCCCCCCCCCCC(=O)C(C(=O)[O-])(O)C	0.764	0.071	0.057	0.367	0.126	0.16	0.959	0.436	0.209	0.334	0.76
Compound_106	N#CC(c1ccccc1)Cc1ccccc1	0.656	0.606	0.432	0.525	0.606	0.244	0.958	0.78	0.501	0.993	0.968
Compound_107	CC(CCc1ccccc1)N	0.089	0.099	0.171	0.377	0.007	0.118	0.01	0.014	0.632	0.203	0.008
Compound_108	CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC	0.964	0.009	0.461	0.741	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_109	CC1(C)CCC(C)(C)OOC(OO1)(C)C	0.875	0.106	0.036	0.573	0.077	0.39	0.986	0.275	0.551	0.901	0.413
Compound_110	O=S(=O)(c1ccccc1)NCCCS(=O)(=O)[O-]	0.104	0.374	0.023	0.092	0.055	0.676	0.014	0.479	0.392	0.015	0.351
Compound_111	SCC(C(=O)O)NSC(C)(C)C	0.012	0.173	0.008	0.25	0.129	0.05	0.001	0.388	0.192	0.004	0.283
Compound_112	Oc1cccc(c1)C1(NC(=O)NC1=O)c1ccccc1	0.247	0.543	0.375	0.409	0.424	0.499	0.877	0.077	0.219	0.005	0.716
Compound_113	COc1cc(CC(=CN2CCOCC2)C#N)cc(c1OC)OC	0.283	0.685	0.207	0.114	0.422	0.245	0.091	0.058	0.561	0.122	0.668
Compound_114	O=Cc1ccc2c(c1)Cc1c2cccc1	0.888	0.723	0.859	0.766	0.149	0.884	0.987	0.901	0.64	0.996	0.983
Compound_115	OC(=O)C1SCC(N1)C(=O)O	0.022	0.384	0.014	0.226	0.294	0.005	0.002	0.021	0.23	0.037	0.252
Compound_116	BrC1(Br)C(Br)(Br)CCCC1(Br)Br	0.954	0.168	0.612	0.656	0.215	0.606	0.997	0.545	0.877	0.999	0.395
Compound_117	CCCCCCCCC=CCCCCCCCCOP(OCCCCCCCCC=CCCCCCCCC)O	0.972	0.112	0.056	0.499	0.649	0.095	0.999	0.286	0.888	0.984	0.476
Compound_118	CC(=O)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)CCC21C)(C)C	0.842	1.0	0.009	0.949	0.852	0.903	0.338	0.093	0.275	0.444	0.271
Compound_119	CO[Si](CCC[N+](CCOC(=O)C(=C)C)(C)C)(OC)OC	0.205	0.186	0.013	0.709	0.279	0.148	0.034	0.487	0.562	0.36	0.463
Compound_120	Oc1ccc(c(c1)n1nc2c(n1)cccc2)O	0.48	0.813	0.728	0.596	0.52	0.743	0.826	0.099	0.941	0.709	0.882
Compound_121	CC(c1ccc(o1)C)CC=O	0.319	0.141	0.361	0.521	0.042	0.233	0.969	0.945	0.66	0.764	0.71
Compound_122	ClCCC(=O)c1ccc(cc1)Br	0.962	0.102	0.556	0.697	0.225	0.653	0.997	0.989	0.486	0.99	0.85
Compound_123	Oc1ccc(c2c1cccc2)N=Nc1c(cc(cc1S(=O)(=O)O)N(=O)=O)N(=O)=O	0.892	0.436	0.987	0.584	0.77	0.653	0.402	0.945	0.496	0.556	0.456
Compound_124	COc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1)OC)C(=O)C	0.568	0.729	0.996	0.718	0.91	0.884	0.866	0.817	0.489	0.986	0.684
Compound_125	CCCCOC(=O)c1ccccc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccc2c(c1)[nH]c(=O)[nH]2	0.752	0.675	0.964	0.685	0.759	0.734	0.701	0.66	0.467	0.299	0.658
Compound_126	COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)NC(=O)C=CC(=O)O	0.169	0.318	0.609	0.352	0.292	0.485	0.026	0.304	0.318	0.059	0.142
Compound_127	O=C=Nc1ccccc1Oc1ccc(cc1)Cl	0.667	0.737	0.866	0.74	0.591	0.527	0.973	0.849	0.571	0.987	0.932
Compound_128	Cc1cc(O)c(cc1Cc1ccccc1)Cc1ccccc1	0.826	0.567	0.949	0.604	0.964	0.994	0.208	0.993	0.913	0.983	0.636
Compound_129	C[N+]1=COCC1(C)C	0.155	0.275	0.206	0.517	0.004	0.027	0.018	0.398	0.329	0.106	0.694
Compound_130	CC1(C)COC=N1	0.361	0.251	0.055	0.455	0.005	0.039	0.189	0.182	0.377	0.015	0.658
Compound_131	COc1ccc(c(c1)C)NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(ccc1OC)S(=O)(=O)[O-]	0.718	0.595	0.965	0.627	0.711	0.689	0.827	0.987	0.432	0.886	0.169
Compound_132	Oc1ccc2c(c1)cccc2S(=O)(=O)[O-]	0.911	0.526	0.935	0.541	0.543	0.707	0.913	0.981	0.445	0.895	0.297
Compound_133	OCCOc1cc(NC2CCCCC2)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.462	0.687	0.956	0.51	0.692	0.355	0.358	0.86	0.316	0.106	0.851
Compound_134	CCC(COC(=O)c1ccc(cc1)N(C)C)C	0.554	0.812	0.897	0.548	0.093	0.898	0.836	0.057	0.748	0.051	0.472
Compound_135	CCN(c1ccc(c(c1)C)N=Nc1snc(n1)c1ccccc1)CC[N+](C)(C)C	0.353	0.769	0.785	0.729	0.379	0.904	0.798	0.975	0.344	0.25	0.392
Compound_136	N#CC(=N)C(=N)C#N	0.75	0.289	0.398	0.505	0.333	0.06	0.112	0.968	0.752	0.94	0.954
Compound_137	O=C(C=N#N)OCC[N+](C)(C)C	0.074	0.194	0.033	0.603	0.036	0.014	0.007	0.08	0.17	0.002	0.216
Compound_138	CCOC1OC(CO)C(C(C1O)O)O	0.207	0.139	0.07	0.409	0.072	0.122	0.151	0.046	0.314	0.469	0.015
Compound_139	OCC(CNC(C)(C)C)O	0.004	0.13	0.002	0.194	0.01	0.006	0.0	0.004	0.272	0.003	0.051
Compound_140	CCCCC1OC(=O)C=C1	0.988	0.25	0.1	0.609	0.56	0.296	0.994	0.986	0.92	0.981	0.474
Compound_141	SCC(C(=O)O)NCC(=O)O	0.003	0.074	0.01	0.11	0.147	0.021	0.001	0.12	0.216	0.021	0.138
Compound_142	BrCC(c1ccc(cc1)C(CBr)Br)Br	0.607	0.18	0.817	0.645	0.302	0.585	0.998	0.973	0.792	0.998	0.629
Compound_143	CCn1c(C)nc2c1ccc(c2)C(F)(F)F	0.323	0.653	0.784	0.614	0.5	0.566	0.837	0.896	0.738	0.599	0.665
Compound_144	C=CC(CCC=C(COC(=O)C)C)C	0.941	0.064	0.385	0.682	0.526	0.071	0.981	0.999	0.843	0.999	0.954
Compound_145	COc1ccccc1C(=O)C(c1ccccc1OC)O	0.021	0.737	0.409	0.395	0.282	0.42	0.83	0.09	0.423	0.157	0.759
Compound_146	COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OCC1OC(CC1O)n1ccc(=O)[nH]c1=O	0.767	0.507	0.004	0.339	0.813	0.622	0.122	0.081	0.404	0.032	0.806
Compound_147	Nc1cncc2c1cccc2	0.682	0.91	0.989	0.633	0.038	0.381	0.005	0.633	0.949	0.987	0.916
Compound_148	CCN1C(C=Cc2c(c3ccccc3)n(c3c2cccc3)C)[NH+](c2c1nc1ccccc1n2)CC	0.436	0.629	0.177	0.597	0.629	0.816	0.972	0.755	0.279	0.825	0.379
Compound_149	CC(CCCCCOP(=O)(OCCCCCC(C)C)OCCCCCC(C)C)C	0.933	0.054	0.748	0.552	0.101	0.068	0.997	0.321	0.188	0.991	0.631
Compound_150	CCOC(=O)CC1CCCCC1=O	0.856	0.252	0.483	0.619	0.098	0.061	0.992	0.625	0.35	0.961	0.609
Compound_151	C=CCN1C(=S)SC(=CC=c2n(C)nnn2CC)C1=O	0.365	0.451	0.493	0.683	0.106	0.752	0.055	0.967	0.477	0.644	0.392
Compound_152	[O-]S(=O)(=O)c1ccccc1Nc1nc(Cl)nc(n1)Nc1ccc(cc1S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-]	0.635	0.411	0.983	0.556	0.728	0.677	0.665	0.991	0.476	0.104	0.6
Compound_153	CCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)O)O)OC(=O)CCCCCCCCCCC	0.822	0.243	0.034	0.658	0.233	0.159	0.818	0.024	0.131	0.754	0.238
Compound_154	CCCCCOC(=O)C=CC	0.97	0.022	0.234	0.786	0.727	0.188	0.999	0.994	0.83	0.997	0.925
Compound_155	OC(Cc1ccc(c(c1)O)O)NCCCCCCNC(Cc1ccc(c(c1)O)O)O	0.057	0.556	0.026	0.273	0.317	0.255	0.004	0.272	0.247	0.089	0.07
Compound_156	O=C(c1cccc(c1)N(C(F)(F)F)SC(Cl)(Cl)F)Oc1ccccc1C(=O)O	0.533	0.622	0.423	0.359	0.982	0.686	0.969	0.625	0.439	0.69	0.942
Compound_157	O=C(C1CC=CCC1C(=O)OCC1OC1)OCC1OC1	0.914	0.305	0.24	0.746	0.93	0.217	0.886	0.971	0.933	0.998	0.951
Compound_158	CCCC(CC(C)C)O	0.861	0.068	0.301	0.531	0.058	0.031	0.813	0.259	0.486	0.921	0.514
Compound_159	CCCCOC(=O)C1CCCCC1C(=O)O	0.478	0.119	0.042	0.32	0.154	0.045	0.78	0.39	0.626	0.588	0.262
Compound_160	[O-]S(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)[O-])n1ncc(n1)c1ccccc1)n1ncc(n1)c1ccccc1	0.701	0.433	0.849	0.511	0.76	0.712	0.929	0.87	0.432	0.085	0.24
Compound_161	C[N+](C1CCCCC1)(Cc1ccccc1)C	0.219	0.512	0.104	0.53	0.018	0.64	0.003	0.432	0.371	0.001	0.16
Compound_162	Clc1ccc2c(c1)Oc1c(C32C(=O)Oc2c3cccc2)ccc(c1)NCc1ccccc1	0.498	0.546	0.733	0.587	0.98	0.655	0.983	0.55	0.452	0.148	0.906
Compound_163	CCc1sccc1C	0.672	0.436	0.428	0.426	0.115	0.453	0.998	0.366	0.836	0.997	0.541
Compound_164	[O-]S(=O)(=O)c1cccc2c1c(ccc2N=Nc1ccc(c2c1cccc2)N=Nc1ccccc1)Nc1ccccc1	0.943	0.392	0.996	0.603	0.747	0.807	0.386	0.996	0.533	0.772	0.214
Compound_165	CCCCCCCCCCCCCCCCCC(=O)OCC(C1OC(=O)C(=C1O)O)O	0.891	0.525	0.135	0.71	0.118	0.424	0.625	0.097	0.185	0.942	0.645
Compound_166	CCOC(=O)C(C(=O)C)(OC(=O)C)C	0.759	0.034	0.134	0.633	0.058	0.096	0.986	0.302	0.292	0.079	0.88
Compound_167	CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC	0.911	0.832	0.314	0.665	0.086	0.854	0.992	0.834	0.962	0.635	0.262
Compound_168	CCCCC(C(C#CC(C(CCCC)CC)O)O)CC	0.816	0.243	0.058	0.555	0.11	0.948	0.983	0.329	0.439	0.938	0.515
Compound_169	OC(=O)CC1CC=C(C1(C)C)C	0.601	0.336	0.052	0.175	0.5	0.024	0.175	0.769	0.086	0.906	0.812
Compound_170	CCCCCC1=CCCCC1=O	0.991	0.231	0.738	0.617	0.149	0.064	0.615	0.892	0.645	1.0	0.927
Compound_171	ClS(=O)(=O)c1cc(cc(c1)S(=O)(=O)Cl)S(=O)(=O)Cl	0.902	0.404	0.851	0.676	0.12	0.58	0.907	0.948	0.761	0.99	0.475
Compound_172	CCCCCCCCCCCCCC(=O)N(CCC(=O)[O-])C	0.759	0.157	0.12	0.354	0.028	0.338	0.943	0.428	0.315	0.372	0.59
Compound_173	NCC1CCCC1N	0.135	0.271	0.039	0.319	0.083	0.236	0.001	0.008	0.485	0.017	0.154
Compound_174	CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)O	0.877	0.141	0.266	0.415	0.193	0.095	0.976	0.089	0.62	0.808	0.843
Compound_175	O=C(c1ccc(cc1)C(=O)OOC(C)(C)C)OOC(C)(C)C	0.8	0.184	0.463	0.573	0.076	0.199	0.907	0.078	0.848	0.092	0.584
Compound_176	Cc1cccc(c1)Nc1ccc(cc1)[C+](c1ccc(cc1)Nc1ccccc1)c1ccc(cc1)Nc1ccccc1	0.899	0.649	0.924	0.573	0.981	0.968	0.998	0.962	0.694	0.989	0.991
Compound_177	O=C1C(=C2Nc3c(C2=O)c(Cl)c(cc3)Br)Nc2c1c(Cl)c(cc2)Br	0.398	0.643	0.935	0.548	0.68	0.682	0.996	0.991	0.586	0.751	0.971
Compound_178	CCN1C(=O)c2c(C1Nc1ccc(cc1)OCCN1CCCCC1)cccc2	0.578	0.665	0.522	0.366	0.758	0.79	0.257	0.75	0.058	0.775	0.183
Compound_179	CC(=O)CCN1CCN(CC1)c1ccc(cc1)F	0.357	0.522	0.592	0.097	0.109	0.045	0.003	0.896	0.44	0.029	0.098
Compound_180	COc1ccc(cc1)C=CC=CC=O	0.918	0.309	0.919	0.811	0.218	0.859	0.83	0.791	0.962	0.959	0.428
Compound_181	CCCCCCCCCCCCCCCCCCCC=C	0.992	0.05	0.33	0.66	0.543	0.121	1.0	0.987	0.703	1.0	0.856
Compound_182	COc1cc([N+]#N)c(cc1Sc1ccc(cc1)C)OC	0.387	0.64	0.903	0.633	0.713	0.646	0.984	0.01	0.541	0.991	0.935
Compound_183	CCc1scnc1C	0.58	0.5	0.486	0.477	0.053	0.645	0.743	0.322	0.86	0.868	0.791
Compound_184	Cc1cccc(c1S(=O)(=O)[O-])O	0.59	0.423	0.346	0.433	0.351	0.357	0.6	0.79	0.349	0.826	0.079
Compound_185	CCCCCCCC(c1ccccc1O)C	0.756	0.293	0.375	0.643	0.282	0.229	0.159	0.933	0.725	0.988	0.846
Compound_186	NC(C(=O)O)CNC(C(=O)O)CCS	0.005	0.115	0.005	0.08	0.14	0.018	0.001	0.008	0.229	0.01	0.149
Compound_187	FC(c1n[nH]c(=S)n1C)(F)F	0.067	0.328	0.041	0.463	0.106	0.107	0.114	0.546	0.704	0.563	0.654
Compound_188	CCCCCCCCCCC(CC#N)O	0.962	0.067	0.03	0.566	0.269	0.099	0.875	0.853	0.572	0.764	0.725
Compound_189	CC[n+]1c(C=Nc2ccc(cc2)N(C)C)ccc2c1cccc2	0.581	0.738	0.932	0.66	0.66	0.943	0.242	0.831	0.812	0.597	0.662
Compound_190	CC1(CC1(Cl)Cl)c1ccc(cc1)F	0.97	0.342	0.772	0.741	0.568	0.442	0.924	0.433	0.538	0.982	0.327
Compound_191	C=C[Si]1(C=C)O[Si](C)(C)O[Si](O[Si](O1)(C=C)C=C)(C)C	0.833	0.154	0.481	0.694	0.235	0.367	0.949	0.995	0.873	0.995	0.5
Compound_192	COP(=O)(Cc1ccc(cc1)c1ccc(cc1)CP(=O)(OC)OC)OC	0.925	0.49	0.746	0.74	0.683	0.434	0.98	0.897	0.63	0.873	0.708
Compound_193	CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)O)O)O	0.745	0.281	0.047	0.677	0.182	0.088	0.818	0.134	0.122	0.921	0.086
Compound_194	CCCC1OC1CCC	0.955	0.264	0.106	0.54	0.311	0.176	0.994	0.831	0.641	1.0	0.88
Compound_195	CCc1nc(oc1C)C	0.573	0.355	0.614	0.499	0.232	0.45	0.454	0.847	0.886	0.675	0.763
Compound_196	CCCCCCCCC=CCCCCCCCC(=O)N(CC(=O)O)CC(=O)O	0.604	0.077	0.081	0.194	0.236	0.284	0.956	0.164	0.281	0.712	0.276
Compound_197	CC(=CCC(=O)C1(O)C(=C(C(=O)C1CC=C(C)C)C(=O)C(C)C)O)C	0.901	0.496	0.125	0.49	0.724	0.516	0.908	0.89	0.232	0.575	0.901
Compound_198	CC(=C)CC(C(Cl)(Cl)Cl)OC(=O)C	0.918	0.097	0.214	0.678	0.204	0.117	0.982	0.993	0.316	0.992	0.943
Compound_199	COc1cc(c(cc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)C)S(=O)(=O)CCOS(=O)(=O)O	0.545	0.639	0.987	0.529	0.77	0.672	0.423	0.896	0.397	0.217	0.333
Compound_200	CC(C(=O)C(C)(C)C)C#N	0.952	0.104	0.373	0.508	0.228	0.058	0.203	0.51	0.448	0.641	0.872
Compound_201	OCC1CCCCCCCCCC1	0.928	0.118	0.072	0.521	0.084	0.083	0.88	0.117	0.262	0.422	0.483
Compound_202	CCCC=CC=CC=O	0.926	0.134	0.378	0.604	0.252	0.524	0.999	0.962	0.949	0.999	0.857
Compound_203	[O-]CCN(CC)CC	0.12	0.176	0.067	0.117	0.009	0.007	0.009	0.152	0.196	0.497	0.591
Compound_204	CCP(=O)(OCC(C)C)C	0.605	0.058	0.48	0.519	0.664	0.38	0.993	0.336	0.546	0.982	0.861
Compound_205	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOS(=O)(=O)[O-]	0.719	0.384	0.137	0.563	0.412	0.946	0.991	0.985	0.151	0.985	0.369
Compound_206	NC(C(=O)OC(C)(C)C)CCC(=O)[O-]	0.023	0.039	0.002	0.263	0.071	0.01	0.002	0.043	0.294	0.002	0.183
Compound_207	CCCCCCCCCCCCCC(=O)OC1C(OC(C(C1O)O)CO)OC1(CO)OC(C(C1OC(=O)CCCCCCCCCCCCC)O)CO	0.616	0.572	0.017	0.562	0.2	0.282	0.904	0.176	0.207	0.609	0.532
Compound_208	[S-]C(=S)Nc1ccc(cc1)O	0.645	0.348	0.699	0.549	0.25	0.635	0.765	0.762	1.002	0.971	0.905
Compound_209	O=C1C=C2C(C)(C)C3CC2(C(C1)(C)C)CC3	1.001	0.877	0.388	0.697	0.394	0.299	0.016	0.952	0.333	1.0	0.446
Compound_210	Clc1ccnc2c1cccc2C(F)(F)F	0.769	0.57	0.873	0.637	0.491	0.188	0.786	0.461	0.811	0.986	0.889
Compound_211	CC1(S)CCC2CC1C2(C)C	0.93	0.394	0.079	0.428	0.59	0.639	0.81	0.347	0.616	0.997	0.4
Compound_212	CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)c1ccc(cc1)N(=O)=O)C)C	0.91	0.94	0.905	0.741	0.887	0.975	0.978	0.606	0.287	0.988	0.765
Compound_213	NC(=O)NC(=S)N	0.337	0.102	0.05	0.268	0.168	0.104	0.101	0.012	0.765	0.616	0.449
Compound_214	CC1=NC(C(O1)C)C	0.43	0.212	0.25	0.517	0.021	0.045	0.217	0.713	0.394	0.872	0.5
Compound_215	CSCCC(C(=O)O)NC(=O)N	0.006	0.081	0.01	0.175	0.143	0.003	0.001	0.028	0.295	0.011	0.041
Compound_216	CCC#CCC1CCCC(=O)O1	0.742	0.227	0.104	0.54	0.071	0.741	0.986	0.174	0.169	0.981	0.177
Compound_217	COc1ccc(cc1)C1(NC(=O)N(C1=O)CCN1CCCCC1)c1ccc(cc1)OC	0.22	0.47	0.115	0.339	0.116	0.641	0.324	0.059	0.292	0.019	0.245
Compound_218	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)C(=O)[O-]	0.482	0.338	0.974	0.404	0.718	0.641	0.926	0.856	0.28	0.082	0.475
Compound_219	CC(=O)C1(C)CC(=O)C(O1)(C)O	0.669	0.401	0.023	0.515	0.05	0.206	0.872	0.554	0.252	0.016	0.406
Compound_220	FC(C(C(O)(C)C)(F)F)F	0.729	0.081	0.532	0.579	0.286	0.021	0.846	0.532	0.411	0.642	0.895
Compound_221	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C	0.964	0.067	0.472	0.709	0.882	0.954	0.999	0.999	0.948	0.997	0.969
Compound_222	CCO[Si](OCC)(OCC)CCCN=C=O	0.82	0.123	0.697	0.52	0.072	0.13	0.777	0.677	0.358	0.465	0.422
Compound_223	COC(=O)CCCCCCCCCCCCC1CCC=C1	0.967	0.143	0.36	0.651	0.525	0.038	0.996	0.979	0.248	0.996	0.813
Compound_224	N#[N+]c1ccc(cc1C)Cl	0.858	0.304	0.843	0.7	0.299	0.266	1.0	0.276	0.899	0.988	0.599
Compound_225	N#[N+]c1cc(ccc1OC)N(=O)=O	0.95	0.3	0.895	0.657	0.134	0.437	0.99	0.916	0.784	0.949	0.942
Compound_226	COc1ccc(c(c1)N(=O)=O)[N+]#N	0.93	0.351	0.86	0.693	0.665	0.348	0.982	0.947	0.772	0.959	0.951
Compound_227	CCCCCCCCCCCCc1c(CCCCCCCCCCCC)cccc1O	0.855	0.287	0.74	0.57	0.436	0.175	0.823	0.952	0.925	0.987	0.707
Compound_228	O=CC1C2CCC3C1(C)CCCC(C23)(C)C	0.972	0.383	0.272	0.579	0.367	0.318	0.615	0.917	0.364	0.998	0.399
Compound_229	Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)[O-])Nc1cccc(c1)S(=O)(=O)[O-]	0.532	0.427	0.936	0.537	0.693	0.639	0.953	0.992	0.358	0.112	0.382
Compound_230	CN([Si](N(C(=O)C)C)(C)C)C(=O)C	0.161	0.067	0.349	0.468	0.03	0.203	0.04	0.111	0.796	0.404	0.44
Compound_231	C[N+](CC[N+](C)(C)C)(C)C	0.197	0.481	0.087	0.511	0.026	0.014	0.004	0.233	0.096	0.007	0.143
Compound_232	CC(=O)NCCSC(=O)CC(=O)C	0.075	0.111	0.007	0.343	0.098	0.039	0.005	0.306	0.399	0.152	0.314
Compound_233	OCCC(CCC(=C(C)C)C)C	0.928	0.145	0.422	0.484	0.057	0.024	0.667	0.29	0.143	0.247	0.846
Compound_234	CCCCCCCCCCCCCCCc1cccc(c1)OC(C(=O)Nc1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1c(C)cc(cc1Cl)C)CC	0.823	0.701	0.987	0.587	0.6	0.787	0.974	0.888	0.417	0.929	0.364
Compound_235	CCC1CC1CO	0.767	0.237	0.043	0.331	0.047	0.036	0.952	0.047	0.293	0.941	0.785
Compound_236	OC(=O)C(c1ccccc1)C(=O)Oc1ccccc1	0.074	0.761	0.015	0.334	0.675	0.238	0.999	0.018	0.215	0.018	0.671
Compound_237	O=C1c2ccccc2CN2N1Cc1ccccc1C2=O	0.278	0.66	0.807	0.467	0.03	0.695	0.061	0.13	0.53	0.076	0.453
Compound_238	CCCCCCCCCCCCCCCC1=NCCN1CCO	0.227	0.323	0.39	0.55	0.02	0.433	0.155	0.397	0.914	0.206	0.169
Compound_239	OCC(C1OC(C(C1O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O)O	0.773	0.511	0.402	0.646	0.908	0.771	0.153	0.304	0.337	0.204	0.881
Compound_240	CCCCOc1ccc(cc1)OCC(=O)N(c1cc(OCC)ccc1OCC)CCN(CC)CC	0.505	0.574	0.165	0.321	0.377	0.47	0.185	0.595	0.344	0.284	0.351
Compound_241	CC(C[Si](Cl)(C)C)C	0.928	0.316	0.75	0.631	0.046	0.234	0.992	0.858	0.74	0.988	0.561
Compound_242	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.235	0.349	0.313	0.557	0.447	0.63	0.837	0.884	0.497	0.965	0.606
Compound_243	CCCCCCCCCc1cccc(c1CCCCCCCCC)S(=O)(=O)[O-]	0.689	0.33	0.57	0.405	0.286	0.564	0.929	0.95	0.463	0.993	0.121
Compound_244	CCOC(=O)CNc1cc(SCC)c(cc1[N+]#N)OC	0.475	0.461	0.921	0.581	0.655	0.618	0.006	0.025	0.24	0.06	0.628
Compound_245	O=C(CN1CCOCC1)OCC(C(c1ccc(cc1)N(=O)=O)O)NC(=O)C(Cl)Cl	0.282	0.438	0.059	0.258	0.885	0.265	0.001	0.045	0.319	0.958	0.165
Compound_246	CCCCC(COP(=O)(OCC(CCCC)CC)OCCO)CC	0.84	0.062	0.063	0.54	0.129	0.17	0.954	0.256	0.198	0.717	0.461
Compound_247	CN(CCCC1(O)c2ccccc2OCc2c1oc1c2cccc1)C	0.282	0.68	0.16	0.255	0.216	0.456	0.127	0.016	0.341	0.029	0.42
Compound_248	Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCNCC1	0.039	0.403	0.023	0.169	0.09	0.484	0.243	0.083	0.793	0.002	0.024
Compound_249	OCCCCC(C(O)(C)C)C	0.861	0.13	0.283	0.55	0.105	0.025	0.939	0.161	0.093	0.141	0.353
Compound_250	CCCCCCCCCCCC=CCCCCC1NC=CN1CCN	0.207	0.442	0.003	0.282	0.132	0.299	0.058	0.373	0.727	0.279	0.282
Compound_251	CCCCCCCCCCCCCC[N+](Cc1ccccc1CC)(C)C	0.269	0.572	0.129	0.664	0.012	0.635	0.194	0.685	0.937	0.022	0.109
Compound_252	ClCCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N	0.883	0.325	0.373	0.744	0.782	0.74	0.616	0.848	0.289	0.244	0.74
Compound_253	CCCCCCCCCCCC[N+](CC=C)(C)C	0.888	0.715	0.047	0.708	0.235	0.718	0.993	0.955	0.569	0.088	0.376
Compound_254	COc1c(cccc1C(=O)c1ccccc1)C(C(=O)O)C	0.08	0.771	0.043	0.293	0.394	0.556	0.89	0.03	0.25	0.037	0.578
Compound_255	CCCCCCCCCCCCC(C(=O)OCC)Oc1ccc(c(c1)C(C)(C)C)O	0.574	0.375	0.512	0.733	0.416	0.143	0.296	0.922	0.249	0.881	0.702
Compound_256	CCOC(=O)C=C(OCC)OCC	0.867	0.16	0.474	0.755	0.648	0.436	0.998	0.989	0.794	1.0	0.908
Compound_257	CCNC(CC)C	0.033	0.084	0.08	0.202	0.01	0.008	0.001	0.013	0.601	0.944	0.207
Compound_258	OCC(C(C(CNc1cc(C)c(cc1N=Nc1ccccc1)C)O)O)O	0.581	0.616	0.937	0.449	0.261	0.104	0.003	0.024	0.22	0.11	0.241
Compound_259	CCCCCCCCCCCCCCCCCC1=NCCN1CCN1CCN=C1CCCCCCCCCCCCCCCCC	0.304	0.587	0.347	0.576	0.081	0.729	0.498	0.667	0.968	0.522	0.205
Compound_260	Cc1ccc(c(c1)N(C)C)O	0.646	0.331	0.348	0.499	0.309	0.217	0.108	0.061	0.776	0.659	0.5
Compound_261	CN(c1ccccc1P(c1ccccc1N(C)C)c1ccccc1N(C)C)C	0.675	0.678	0.611	0.501	0.955	0.627	0.955	0.231	0.895	0.966	0.803
Compound_262	CCCCCCCC[Sn](SCCCCCCCCCCCC)(SCCCCCCCCCCCC)CCCCCCCC	0.583	0.251	0.163	0.527	0.955	0.984	1.0	0.923	0.691	1.0	0.708
Compound_263	NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.718	0.219	0.236	0.37	0.078	0.29	0.889	0.378	0.699	0.189	0.334
Compound_264	CCC(=O)OCC(O)C	0.649	0.033	0.056	0.73	0.091	0.043	0.87	0.595	0.15	0.399	0.404
Compound_265	OCC(c1ccccc1)OC(=O)C	0.066	0.121	0.322	0.531	0.112	0.06	0.624	0.172	0.566	0.07	0.203
Compound_266	[O-]C(=O)CSS(=O)(=O)[O-]	0.653	0.093	0.276	0.274	0.075	0.069	0.504	0.908	0.448	0.765	0.468
Compound_267	CCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C	0.978	1.0	0.044	0.836	0.947	0.908	0.037	0.635	0.347	1.0	0.304
Compound_268	COc1ccccc1C=C(c1ccccc1)C(=O)O	0.188	0.587	0.265	0.287	0.524	0.664	0.968	0.006	0.597	0.812	0.924
Compound_269	CCCC(C(=O)OC1CC2CCC(C1)N2C)CCC	0.188	0.438	0.012	0.152	0.021	0.068	0.015	0.214	0.241	0.757	0.174
Compound_270	CCCCCCC=CCOC(=O)C	0.984	0.013	0.242	0.618	0.681	0.204	0.999	0.99	0.982	1.0	0.932
Compound_271	Cc1ccc(cc1)S(=O)(=O)N=S(=O)(C)C	0.299	0.36	0.833	0.603	0.251	0.209	0.926	0.519	0.379	0.86	0.387
Compound_272	OCC1OC(OC2OC=C(C3C2C(C)C(C3)O)C(=O)O)C(C(C1O)O)O	0.661	0.454	0.032	0.319	0.827	0.597	0.722	0.379	0.403	0.301	0.114
Compound_273	CN(C1CCCCC1O)C	0.307	0.26	0.012	0.19	0.022	0.096	0.001	0.204	0.161	0.023	0.119
Compound_274	CCC(c1cc(ccc1OCCCC(=O)Nc1ccc(c(c1)NC(=O)C(C(=O)C(C)(C)C)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCc1ccccc1)Cl)C(CC)(C)C)(C)C	0.574	0.577	0.858	0.68	0.776	0.698	0.643	0.695	0.412	0.768	0.273
Compound_275	CC(CC1OC1)C	0.828	0.143	0.588	0.542	0.091	0.031	0.956	0.228	0.764	0.992	0.84
Compound_276	COc1cc(C=CC(=O)N2CCN(CC2)CC(=O)N2CCCC2)cc(c1OC)OC	0.282	0.597	0.862	0.477	0.138	0.245	0.189	0.418	0.442	0.381	0.092
Compound_277	O=N(=O)c1c(cc(c(c1N(=O)=O)N)c1cc(N(=O)=O)c(c(c1N)N(=O)=O)N(=O)=O)N(=O)=O	0.984	0.614	0.993	0.746	0.828	0.39	0.98	0.989	0.787	0.988	0.939
Compound_278	COCCC=C1SCC2C1N(Cc1ccccc1)C(=O)N2Cc1ccccc1	0.338	0.698	0.13	0.586	0.351	0.679	0.074	0.565	0.425	0.344	0.217
Compound_279	COC1OCC(O1)C	0.659	0.225	0.306	0.538	0.053	0.06	0.993	0.605	0.481	0.87	0.331
Compound_280	CC(Oc1ccccc1)Br	0.626	0.134	0.404	0.727	0.299	0.322	0.969	0.59	0.819	0.996	0.787
Compound_281	CCC(=Cc1oc2c([n+]1CC)cc(cc2)c1ccccc1)C=c1oc2c(n1CC)cc(cc2)c1ccccc1	0.582	0.741	0.898	0.706	0.757	0.657	0.991	0.988	0.811	0.995	0.813
Compound_282	[O-]S(=O)(=O)CN(CS(=O)(=O)[O-])CS(=O)(=O)[O-]	0.518	0.201	0.022	0.245	0.348	0.406	0.326	0.601	0.382	0.863	0.356
Compound_283	OCc1cc(N)cc(c1)N	0.283	0.354	0.939	0.488	0.025	0.118	0.478	0.488	0.643	0.008	0.698
Compound_284	CN(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C	0.216	0.438	0.009	0.065	0.943	0.799	0.971	0.01	0.476	0.001	0.275
Compound_285	Cc1c(CC(C#N)Cl)cccc1Cl	0.853	0.16	0.879	0.69	0.847	0.188	0.983	0.995	0.639	0.954	0.748
Compound_286	CC1=CC(CCC1)O	0.813	0.263	0.574	0.543	0.083	0.038	0.309	0.867	0.396	0.438	0.309
Compound_287	O=CC1=CCC(CC1)C(C)C	0.972	0.27	0.478	0.608	0.153	0.22	0.762	0.931	0.681	0.999	0.876
Compound_288	CCCCCCCCCCCCCCCCCC(=O)NC(C(=O)O)CCSC	0.054	0.054	0.027	0.268	0.241	0.077	0.24	0.1	0.346	0.053	0.108
Compound_289	CCCCCCCCCCCC(=O)NC(C(=O)O)CCSC	0.054	0.054	0.027	0.268	0.241	0.077	0.24	0.1	0.346	0.053	0.108
Compound_290	CCCCCC(=O)NC(C(=O)O)CCSC	0.023	0.054	0.027	0.268	0.158	0.015	0.001	0.1	0.307	0.053	0.108
Compound_291	CCCCCCCCCC(=O)NC(=N)N	0.145	0.058	0.043	0.332	0.014	0.643	0.062	0.062	0.345	0.359	0.117
Compound_292	O=C1SCC2C1N(Cc1ccccc1)C(=O)N2Cc1ccccc1	0.133	0.58	0.257	0.63	0.459	0.323	0.147	0.202	0.145	0.615	0.265
Compound_293	CC1=CCC(CC1)C1(C)CO1	0.945	0.324	0.394	0.553	0.5	0.102	0.613	0.286	0.546	0.972	0.959
Compound_294	CC[NH+]1C(C=CC=c2n(CC)c3c(n2CC)cc(c(c3)Cl)Cl)N(c2c1cc(Cl)c(c2)Cl)CCC(S(=O)(=O)[O-])C	0.511	0.539	0.399	0.443	0.435	0.824	0.162	0.974	0.41	0.708	0.51
Compound_295	NC(=N)SCCCS(=O)(=O)O	0.068	0.094	0.069	0.284	0.139	0.302	0.103	0.042	0.388	0.005	0.366
Compound_296	N#CCCN(c1cccc(c1)NC(=O)C)CCC#N	0.437	0.379	0.182	0.479	0.18	0.111	0.002	0.904	0.69	0.856	0.698
Compound_297	CCO[Si](c1ccc(cc1)Cl)(OCC)OCC	0.75	0.448	0.855	0.595	0.35	0.354	0.999	0.075	0.353	0.981	0.427
Compound_298	CC1=NN(C(=O)C1N=Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1	0.638	0.707	0.984	0.725	0.743	0.616	0.912	0.895	0.403	0.471	0.492
Compound_299	BrC1CC2C(=O)OC(=O)C2CC1Br	0.665	0.103	0.217	0.656	0.548	0.599	0.995	0.999	0.93	0.564	0.641
Compound_300	CCO[Si](CNC1CCCCC1)(OCC)OCC	0.209	0.318	0.083	0.225	0.025	0.191	0.0	0.01	0.146	0.039	0.235
Compound_301	C=CCOCC(COCCN1CCNC1=O)O	0.156	0.32	0.021	0.369	0.445	0.103	0.001	0.893	0.336	0.391	0.319
Compound_302	Clc1nc(nc(n1)Cl)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc2c(c1S(=O)(=O)O)cccc2)S(=O)(=O)O	0.825	0.373	1.0	0.61	0.756	0.699	0.623	0.887	0.462	0.472	0.5
Compound_303	Clc1cc(Cl)c(c(c1)C(c1ccccc1S(=O)(=O)[O-])c1cc(Cl)cc(c1O)Cl)O	0.558	0.565	0.289	0.544	0.833	0.69	0.386	0.889	0.418	0.991	0.194
Compound_304	ON=C(c1ccccc1Cl)C#N	0.717	0.36	0.783	0.643	0.753	0.354	0.997	0.983	0.423	0.959	0.971
Compound_305	CCCCCCCC[Sn](OC(=O)CCCCCCCC=CCCCCCCCC)(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC	0.803	0.062	0.403	0.609	0.975	0.85	0.996	0.988	0.178	0.999	0.739
Compound_306	OCCO[Si](OCCO)(C)C	0.813	0.068	0.065	0.48	0.058	0.13	0.145	0.521	0.158	0.118	0.603
Compound_307	N#[N+]c1cc(Cl)ccc1C	0.921	0.304	0.702	0.658	0.474	0.265	1.0	0.111	0.846	0.988	0.599
Compound_308	OC(COc1cccc2c1CC=CC2)CNC(C)C	0.033	0.471	0.083	0.148	0.089	0.021	0.117	0.044	0.144	0.368	0.151
Compound_309	CCC(=Cc1sc2c([n+]1CCCS(=O)(=O)[O-])cc(c(c2)C)C)C=c1sc2c(n1CC)cc(cc2)Cl	0.752	0.619	0.913	0.558	0.654	0.779	0.948	0.958	0.399	0.768	0.513
Compound_310	CCOC(=O)CCC1CCCCC1[NH+](C)C	0.158	0.378	0.31	0.597	0.009	0.047	0.011	0.189	0.286	0.058	0.521
Compound_311	CCCCCCCCCCCCCC(=O)OC1C(O)C(OC1(CO)OC1OC(CO)C(C(C1O)O)O)CO	0.583	0.46	0.017	0.493	0.128	0.251	0.859	0.035	0.268	0.856	0.155
Compound_312	CC[N+](CC=C)(CC)CC	0.259	0.495	0.552	0.67	0.173	0.02	0.025	0.972	0.185	0.803	0.213
Compound_313	CCCC[Sn](OC(=O)CCCCCCCCC=C)(CCCC)CCCC	0.89	0.089	0.307	0.691	0.968	0.827	0.999	0.997	0.017	1.0	0.686
Compound_314	CC(Cc1nccnc1)C	0.191	0.358	0.324	0.425	0.124	0.127	0.012	0.287	0.719	0.018	0.426
Compound_315	CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O	0.818	0.149	0.007	0.543	0.139	0.14	0.823	0.016	0.127	0.849	0.191
Compound_316	CCCCCCCCCCCC[N+](CCO)(CCO)C	0.544	0.307	0.01	0.568	0.063	0.723	0.727	0.344	0.936	0.002	0.205
Compound_317	O=CC12CCC(C=C1CCC1C2CCC2(C1(O)CCC2c1ccc(=O)oc1)C)OC1OC(C)C(C(C1O)O)O	0.828	0.99	0.01	0.569	0.942	0.966	0.804	0.507	0.811	0.13	0.197
Compound_318	CC1OC(=O)C(C1)Br	0.746	0.157	0.209	0.669	0.661	0.171	0.998	0.974	0.517	0.947	0.446
Compound_319	CCCC=CCCC(=O)OC	0.758	0.006	0.496	0.631	0.296	0.006	0.997	0.994	0.485	1.0	0.914
Compound_320	N#CC(=CC(C)C)c1ccccn1	0.353	0.464	0.56	0.574	0.195	0.219	0.002	0.944	0.873	0.257	0.718
Compound_321	CCC12CCCN3C2c2n(C(C1)(O)C(=O)O)c1c(c2CC3)cccc1	0.309	0.779	0.024	0.392	0.371	0.114	0.154	0.032	0.105	0.044	0.619
Compound_322	N#N=Nc1ccc(c(c1)N(=O)=O)F	0.996	0.321	0.883	0.661	0.22	0.361	0.962	0.996	0.77	0.986	0.9
Compound_323	CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O	0.927	0.188	0.014	0.542	0.425	0.131	0.819	0.72	0.131	0.989	0.206
Compound_324	N#CN1CCN(CC1)C#N	0.147	0.246	0.057	0.166	0.018	0.017	0.001	0.98	0.814	0.317	0.292
Compound_325	CCCCCCCCCCCCCOCCCNCCCN	0.09	0.183	0.01	0.377	0.024	0.166	0.154	0.063	0.411	0.84	0.27
Compound_326	CCCCCCCCCCCC(=O)OC1C(O)C(OC1(CO)OC1OC(CO)C(C(C1O)O)O)CO	0.583	0.46	0.017	0.493	0.128	0.251	0.859	0.035	0.268	0.856	0.155
Compound_327	CCC(CC)(Br)C	0.908	0.174	0.287	0.631	0.176	0.016	0.987	0.93	0.69	1.0	0.825
Compound_328	[O-]S(=O)(=O)c1c(ccc2c1cccc2)Cc1ccccc1	0.694	0.603	0.934	0.449	0.556	0.761	0.987	0.99	0.448	0.988	0.122
Compound_329	Brc1cc(c(c(c1Br)Br)Br)c1cc(Br)c(c(c1Br)Br)Br	0.985	0.38	0.992	0.755	0.604	0.315	0.996	0.957	0.914	0.996	0.835
Compound_330	CCCCCCCCCCCCCCCCCCOCC(CCl)O	0.938	0.158	0.037	0.683	0.233	0.536	0.976	0.858	0.623	0.959	0.913
Compound_331	FC(C(Oc1ccc(cc1C)N(=O)=O)(F)F)F	0.871	0.432	0.955	0.745	0.89	0.728	0.986	0.942	0.447	0.709	0.941
Compound_332	FC(C(Oc1ccccc1N(=O)=O)(F)F)F	0.882	0.377	0.902	0.718	0.886	0.65	0.98	0.993	0.442	0.656	0.94
Compound_333	FC(C(Oc1ccc(cc1)N(=O)=O)(F)F)F	0.958	0.409	0.955	0.733	0.949	0.824	0.97	0.979	0.394	0.513	0.919
Compound_334	CCC(c1ccccc1OC(C(F)F)(F)F)C	0.243	0.192	0.643	0.701	0.633	0.152	0.73	0.858	0.466	0.995	0.8
Compound_335	CN(c1ccccc1Cc1ccccc1N(C)C)C	0.76	0.637	0.469	0.492	0.465	0.664	0.97	0.522	0.853	0.948	0.747
Compound_336	Cc1ccc(cc1)S(=O)OC(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C	0.299	0.549	0.989	0.595	0.911	0.715	0.921	0.081	0.67	0.995	0.486
Compound_337	ClCCCCCOC(=O)C	0.911	0.028	0.182	0.777	0.239	0.105	0.999	0.998	0.224	0.999	0.973
Compound_338	ClC(COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)(Cl)Cl	0.921	0.371	0.511	0.632	0.162	0.358	0.823	0.96	0.294	0.997	0.805
Compound_339	COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CC(O3)O	0.714	0.688	0.99	0.584	0.378	0.667	0.529	0.583	0.637	0.647	0.5
Compound_340	N#CCC(=CCC=C(C)C)C	0.935	0.128	0.449	0.564	0.386	0.021	0.946	0.963	0.778	0.866	0.935
Compound_341	CCCCCC(C(C)C)O	0.915	0.066	0.046	0.553	0.06	0.037	0.861	0.403	0.284	0.855	0.5
Compound_342	NC(=N)NCCCC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C	0.164	0.477	0.093	0.222	0.149	0.646	0.923	0.392	0.296	0.007	0.251
Compound_343	CC(C=CCC1CC=C(C1(C)C)C)O	0.915	0.358	0.11	0.583	0.645	0.145	0.119	0.837	0.657	0.939	0.965
Compound_344	Nc1ccc2c(c1)NCC2	0.366	0.456	0.839	0.348	0.184	0.213	0.019	0.163	0.86	0.018	0.32
Compound_345	CC(CCOc1ccccc1CC[NH+]1CCCC1)C	0.041	0.35	0.789	0.477	0.018	0.23	0.047	0.37	0.232	0.243	0.092
Compound_346	CCC(C(CO)N)C	0.024	0.125	0.024	0.314	0.005	0.011	0.002	0.005	0.245	0.136	0.049
Compound_347	CC(c1ccc(cc1)C1CCCCC1)C(=O)O	0.063	0.252	0.012	0.287	0.151	0.113	0.165	0.037	0.195	0.909	0.095
Compound_348	CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.338	0.525	0.578	0.588	0.975	0.799	0.999	0.971	0.944	0.997	0.867
Compound_349	OCCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Cl)cc(cc1N(=O)=O)N(=O)=O)CCOC(=O)C	0.74	0.726	0.196	0.467	0.706	0.552	0.115	0.533	0.5	0.481	0.438
Compound_350	CC(=CCCC(C(C(C)C)O)C)C	0.894	0.116	0.097	0.606	0.124	0.019	0.289	0.93	0.282	0.406	0.837
Compound_351	CN(c1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(cc1)S(=O)(=O)[O-])C)C	0.589	0.559	0.944	0.471	0.428	0.594	0.892	0.981	0.404	0.953	0.299
Compound_352	O=c1nc2nc([nH]n2cc1C)N	0.363	0.433	0.092	0.376	0.142	0.32	0.001	0.031	0.833	0.0	0.25
Compound_353	C1CC(=O)NC1C(=O)Nc1nnc[nH]1	0.03	0.236	0.063	0.337	0.112	0.642	0.0	0.128	0.319	0.041	0.359
Compound_354	CCC(=Cc1sc2c([n+]1CCCS(=O)(=O)[O-])c1ccccc1cc2)C=c1sc2c(n1C)c1ccccc1cc2	0.761	0.649	0.86	0.597	0.631	0.779	0.996	0.981	0.386	0.045	0.5
Compound_355	CCCCCC(CCC)(O)C	0.913	0.099	0.061	0.57	0.08	0.038	0.746	0.689	0.485	0.98	0.724
Compound_356	COC(=O)NCCC[Si](OC)(OC)OC	0.155	0.079	0.231	0.392	0.046	0.161	0.004	0.944	0.769	0.002	0.26
Compound_357	CCCCCCCCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)OCC[N+](CC)(CC)C	0.615	0.621	0.484	0.717	0.225	0.609	0.714	0.595	0.419	0.234	0.367
Compound_358	CC(CCCCCOP(Oc1ccccc1)OCCCCCC(C)C)C	0.926	0.351	0.861	0.659	0.413	0.043	0.989	0.685	0.22	0.995	0.396
Compound_359	OCC1OC(Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)C(C(C1OC1OCC(C1O)(O)CO)O)O	0.646	0.561	0.106	0.607	0.947	0.906	0.823	0.347	0.73	0.604	0.786
Compound_360	NC(=[NH2+])SCCS(=O)(=O)[O-]	0.157	0.072	0.026	0.346	0.053	0.199	0.014	0.027	0.388	0.03	0.381
Compound_361	BrOCC1OC([O-])C(C(C1O)O)Oc1cccc2c1cccc2	0.332	0.48	0.922	0.667	0.56	0.362	0.341	0.446	0.663	0.827	0.718
Compound_362	Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(=O)c1ccc(cc1)F	0.234	0.414	0.233	0.097	0.19	0.637	0.388	0.509	0.199	0.532	0.087
Compound_363	CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C	0.399	0.715	0.374	0.585	0.367	0.541	0.086	0.149	0.305	0.242	0.246
Compound_364	OC(=O)C1OC(C(C1C(=O)O)C(=O)O)C(=O)O	0.297	0.149	0.168	0.259	0.087	0.166	0.267	0.545	0.433	0.048	0.284
Compound_365	NNC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F	0.547	0.277	0.977	0.452	0.181	0.685	0.769	0.995	0.585	0.039	0.225
Compound_366	CC(c1c(cccc1C(C)C)C(C)C)C	0.546	0.082	0.685	0.583	0.059	0.023	0.526	0.305	0.771	0.996	0.329
Compound_367	OC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(N)C	0.029	0.308	0.084	0.111	0.061	0.016	0.001	0.034	0.164	0.135	0.175
Compound_368	COc1c(CBr)cccc1C(=O)c1ccccc1	0.593	0.612	0.816	0.759	0.36	0.908	0.726	0.243	0.806	0.726	0.974
Compound_369	CC(c1ccco1)N	0.07	0.177	0.269	0.419	0.004	0.307	0.041	0.364	0.383	0.713	0.429
Compound_370	COC(=O)C(CCCCNC(=O)OCc1ccccc1)N	0.086	0.259	0.083	0.223	0.009	0.064	0.004	0.226	0.381	0.013	0.121
Compound_371	CC(=O)OCCCCCCCCCCOC(=O)C	0.943	0.003	0.182	0.674	0.144	0.072	0.993	0.829	0.845	0.995	0.914
Compound_372	CCCCCCCCCCCCCCCCCC(=O)OC1COC2C1OCC2OC(=O)CCCCCCCCCCCCCCCCC	0.972	0.489	0.231	0.622	0.32	0.07	0.999	0.089	0.234	0.976	0.942
Compound_373	OC(=O)CCCCCCCCCCCCC1C=CCC1	0.931	0.163	0.086	0.169	0.687	0.068	0.988	0.041	0.048	0.575	0.116
Compound_374	NC(=O)Cc1ccc(cc1)OCC1CO1	0.017	0.4	0.284	0.433	0.192	0.689	0.151	0.046	0.539	0.085	0.208
Compound_375	CCCCCCCCC1CC(c2c1cccc2)C	0.789	0.303	0.384	0.567	0.219	0.209	0.873	0.922	0.892	1.0	0.827
Compound_376	CCCCCCCCCC1CC(c2c1cccc2)C	0.789	0.303	0.384	0.567	0.219	0.209	0.873	0.922	0.892	1.0	0.827
Compound_377	O=CN1CCC2=C(C1Cc1ccc(cc1)OC)CCCC2	0.441	0.64	0.678	0.647	0.173	0.982	0.015	0.32	0.535	0.538	0.034
Compound_378	CCC(=O)c1ccccc1F	0.939	0.121	0.614	0.593	0.039	0.11	0.907	0.945	0.335	0.986	0.474
Compound_379	CCCC(CC(=O)OC)OC(=O)C	0.852	0.021	0.095	0.559	0.082	0.024	0.966	0.655	0.462	0.483	0.852
Compound_380	C=CC(C=CC(O)(C)C)(C)C	0.656	0.039	0.398	0.536	0.455	0.1	0.303	0.97	0.72	0.951	0.836
Compound_381	O=C(NC1C(=O)N2C1SCC(=C2C(=O)OC(c1ccccc1)c1ccccc1)C)Cc1ccccc1	0.178	0.25	0.166	0.279	0.648	0.143	0.393	0.651	0.153	0.667	0.068
Compound_382	CCCCCCCCCCCCCCCCCC(=O)OC1C(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(C1O)CO)OC1(CO)OC(C(C1OC(=O)CCCCCCCCCCCCCCCCC)O)CO	0.609	0.587	0.017	0.571	0.2	0.282	0.904	0.176	0.207	0.545	0.818
Compound_383	COC(=O)C(=CO)C(=O)OC	0.961	0.096	0.196	0.486	0.306	0.171	0.728	0.886	0.844	0.718	0.949
Compound_384	CC(CCCCCCc1ccccc1O)C	0.756	0.225	0.906	0.582	0.296	0.335	0.409	0.736	0.261	0.873	0.287
Compound_385	CN(C(=O)Nc1cccc(c1)OC(C(F)F)(F)F)C	0.697	0.495	0.962	0.715	0.867	0.095	0.802	0.603	0.417	0.004	0.266
Compound_386	CC1=NN(C(=O)C1=CC=C(c1c(C)nn(c1O)c1ccc(cc1)S(=O)(=O)O)C)c1ccc(cc1)S(=O)(=O)O	0.71	0.579	0.974	0.457	0.789	0.645	0.035	0.941	0.401	0.94	0.285
Compound_387	CCC(C(=O)Nc1cccc(c1)C(=O)CC(=O)Nc1ccccc1OC)Oc1ccc(cc1C(CC)(C)C)C(CC)(C)C	0.555	0.65	0.898	0.622	0.546	0.873	0.838	0.321	0.425	0.062	0.31
Compound_388	C#CC(OC(=O)C)(CCC=C(C)C)C	0.878	0.071	0.299	0.57	0.249	0.221	0.687	0.998	0.174	0.986	0.639
Compound_389	CC(COC(=O)c1ccc(cc1)C(=O)O)O	0.207	0.122	0.303	0.374	0.086	0.225	0.316	0.055	0.144	0.026	0.136
Compound_390	NNC(=S)S	0.577	0.102	0.379	0.253	0.562	0.28	0.416	0.014	0.973	0.983	0.337
Compound_391	C=CCOC(=O)C=CC	0.966	0.047	0.564	0.692	0.568	0.106	0.999	0.999	0.685	0.994	0.895
Compound_392	CCOC(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1)C(=O)OCCOC(=O)C)c1ccccc1	0.608	0.711	0.995	0.769	0.289	0.745	0.071	0.18	0.407	0.505	0.473
Compound_393	CN1C[NH+](C=C1)C=C	0.099	0.271	0.026	0.181	0.038	0.003	0.0	0.899	0.545	0.025	0.509
Compound_394	O=C=Nc1cc(ccc1C)n1c(=O)n(c2ccc(c(c2)N=C=O)C)c(=O)n(c1=O)c1ccc(c(c1)N=C=O)C	0.569	0.597	0.279	0.572	0.912	0.923	0.836	0.015	0.832	0.392	0.25
Compound_395	C=Cc1ccccc1C[N+](C)(C)C	0.58	0.34	0.273	0.549	0.009	0.149	0.001	0.716	0.198	0.078	0.101
Compound_396	CN(C1CCCCC1)Cc1ccccc1N(=O)=O	0.69	0.341	0.051	0.245	0.215	0.711	0.67	0.961	0.429	0.414	0.763
Compound_397	OCCN(c1ccc(cc1)N=Nc1sc2c(n1)ccc(c2)N(=O)=O)CCC#N	0.849	0.418	0.959	0.557	0.283	0.721	0.056	0.728	0.511	0.088	0.577
Compound_398	CCN(c1ccc(c(c1)NC(=O)C)N=Nc1ccc(cc1N(=O)=O)N(=O)=O)CC	0.843	0.644	0.77	0.506	0.728	0.452	0.103	0.53	0.701	0.926	0.658
Compound_399	O=C1CSC(=N1)N(c1ccccc1)c1ccccc1	0.398	0.7	0.802	0.516	0.257	0.546	0.43	0.384	0.343	0.402	0.319
Compound_400	CCOC(=O)C=Cc1ccccc1OC	0.862	0.305	0.926	0.796	0.158	0.127	0.475	0.518	0.657	0.96	0.561
Compound_401	OCC1=CC2OC(=O)C(=C)C2C(CC(=CCC1)C)OC(=O)C(=C)C(CO)O	0.888	0.612	0.011	0.446	0.682	0.512	0.852	0.355	0.656	0.802	0.466
Compound_402	CN(Sc1ccccc1)Sc1ccccc1	0.492	0.455	0.754	0.547	0.371	0.837	0.864	0.822	0.753	0.995	0.59
Compound_403	[O-]C(=O)CC[n+]1c(C=C(C=c2sc3c(n2CCC(=O)[O-])cccc3)C)sc2c1cccc2	0.647	0.534	0.878	0.474	0.457	0.654	0.075	0.983	0.392	0.061	0.615
Compound_404	CC(OC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(OC(=O)C(=C)C)C)(C)C	0.587	0.463	0.455	0.642	0.932	0.966	0.994	0.976	0.779	0.967	0.633
Compound_405	CCCCCCCCCCCCOCCOCCOC(=O)CC(S(=O)(=O)[O-])C(=O)OCCOCCOCCCCCCCCCCCC	0.811	0.069	0.168	0.585	0.219	0.423	0.973	0.954	0.421	0.941	0.32
Compound_406	Oc1ccc(c(c1)C)N=Nc1ccc(cc1)N=Nc1ccc(c(c1)C)O	0.89	0.805	0.992	0.729	0.97	0.964	0.889	0.903	0.752	0.958	0.887
Compound_407	COC(=O)C1N2C(=O)C(C2SC1(C)C)(Br)Br	0.109	0.4	0.154	0.632	0.729	0.357	0.779	0.991	0.226	0.757	0.269
Compound_408	c1csc(c1)P(c1cccs1)c1cccs1	0.437	0.715	0.553	0.514	0.758	0.641	0.998	0.958	0.986	0.997	0.813
Compound_409	ON=C1C2OCC=C3C4C2C2N(C1=O)c1ccccc1C12C(C4)N(C3)CC1	0.737	0.632	0.831	0.149	0.526	0.702	0.051	0.949	0.288	0.011	0.242
Compound_410	CC(=O)C1(C)c2cc3CCCc3cc2C(C1(C)C)C	0.505	0.395	0.55	0.526	0.11	0.231	0.024	0.453	0.838	0.987	0.749
Compound_411	CCCCc1ccccc1O	0.494	0.203	0.529	0.569	0.191	0.175	0.647	0.829	0.808	0.926	0.2
Compound_412	Nc1nc2cccc3c2c([nH]1)ccc3	0.484	0.857	0.959	0.505	0.837	0.817	0.752	0.958	0.933	0.933	0.703
Compound_413	COC(=O)C1=C(O)c2c(S1(=O)=O)cccc2	0.662	0.631	0.304	0.519	0.254	0.336	0.508	0.812	0.471	0.935	0.21
Compound_414	O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1	0.918	0.566	0.867	0.693	0.587	0.806	0.878	0.969	0.758	0.996	0.976
Compound_415	Clc1ccc(cc1)C(Cn1cncc1)O	0.046	0.485	0.679	0.701	0.308	0.749	0.006	0.172	0.268	0.056	0.388
Compound_416	CCC(=CCCC(C#C)(O)C)C	0.833	0.171	0.104	0.445	0.152	0.215	0.06	0.717	0.511	0.995	0.821
Compound_417	COc1cc(ccc1N)S(=O)(=O)CCOS(=O)(=O)O	0.344	0.337	0.569	0.268	0.302	0.676	0.229	0.133	0.351	0.029	0.522
Compound_418	Clc1ccccc1CCSSCCc1ccccc1Cl	0.741	0.466	0.741	0.641	0.916	0.934	0.993	0.681	0.587	1.0	0.751
Compound_419	Clc1cc(N=NC2C(=NN(C2=O)c2cccc(c2)S(=O)(=O)O)C)c(c(c1)S(=O)(=O)O)O	0.401	0.454	0.897	0.532	0.713	0.653	0.441	0.234	0.406	0.787	0.311
Compound_420	N#CCc1ncccc1c1ccccc1	0.315	0.578	0.663	0.662	0.211	0.446	0.001	0.752	0.902	0.099	0.933
Compound_421	CCCCCCCCCCCCCC(=O)OCCO	0.856	0.057	0.107	0.716	0.157	0.3	0.992	0.719	0.092	0.872	0.432
Compound_422	Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1S(=O)(=O)O)S(=O)(=O)O	0.758	0.362	0.995	0.665	0.842	0.675	0.883	0.919	0.522	0.157	0.32
Compound_423	CCC(c1ccccc1)(N)C	0.383	0.166	0.137	0.429	0.006	0.183	0.74	0.037	0.524	0.04	0.054
Compound_424	O=C1CCC(N1)C(=O)Nc1ccc2c(c1)cccc2	0.175	0.541	0.944	0.587	0.136	0.398	0.548	0.983	0.466	0.449	0.727
Compound_425	OC(=O)C1=NN(C(=O)C1=CC=Cc1c(cn(c1O)c1ccccc1)C(=O)O)c1ccccc1	0.631	0.676	0.542	0.492	0.629	0.614	0.58	0.777	0.398	0.864	0.425
Compound_426	C=CCn1c(n[nH]c1=S)c1c(O)cccc1O	0.301	0.446	0.665	0.612	0.025	0.576	0.019	0.955	0.358	0.287	0.458
Compound_427	COC(=O)CC(Br)C	0.732	0.038	0.631	0.691	0.182	0.023	0.998	0.999	0.461	0.749	0.837
Compound_428	C=CCCC=C(CCC=C(C)C)C	0.82	0.049	0.76	0.547	0.206	0.009	0.943	0.976	0.346	0.997	0.951
Compound_429	CCCC[Sn](OC(=O)c1ccc(cc1)C(C)(C)C)(OC(=O)c1ccc(cc1)C(C)(C)C)CCCC	0.767	0.528	0.804	0.547	0.977	0.985	0.954	0.677	0.786	0.933	0.72
Compound_430	CCCCCCCCCCCCCCCCCc1n[nH]c(=S)n1NC(=O)Nc1cccc(c1)S(=O)(=O)[O-]	0.535	0.342	0.306	0.553	0.451	0.627	0.158	0.919	0.435	0.117	0.414
Compound_431	CNc1ccc(cc1C1NCCc2c1cccc2)Cl	0.453	0.607	0.981	0.424	0.458	0.723	0.195	0.123	0.578	0.039	0.308
Compound_432	CCCCCCCCC=CCCCCCCCC(=O)NCCCCC(C(=O)O)N	0.349	0.104	0.003	0.234	0.077	0.099	0.057	0.035	0.382	0.037	0.04
Compound_433	ClCC(=O)N1CCCC1C(=O)O	0.053	0.315	0.074	0.482	0.543	0.04	0.785	0.992	0.329	0.161	0.458
Compound_434	CC(N1CCOC(C1)c1cccc(c1)C(F)(F)F)C	0.056	0.422	0.34	0.263	0.035	0.062	0.15	0.787	0.142	0.012	0.22
Compound_435	CC(C(=O)O)NC(=O)C(Br)C	0.002	0.116	0.024	0.337	0.552	0.074	0.001	0.978	0.298	0.055	0.315
Compound_436	Fc1c(F)c(F)c(c(c1F)[Si](Cl)(C)C)F	0.906	0.38	0.815	0.655	0.299	0.467	0.999	0.99	0.582	0.992	0.465
Compound_437	O=C(c1ccccc1C(=O)OC1(C)CCCCC1)OC1(C)CCCCC1	0.958	0.572	0.104	0.555	0.5	0.41	0.997	0.539	0.445	0.939	0.788
Compound_438	ClCCS(=O)c1ccccc1	0.805	0.337	0.47	0.694	0.462	0.464	0.957	0.992	0.65	0.998	0.618
Compound_439	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_440	CCCCCCCCCCCC(c1ccccc1)CCl	0.96	0.133	0.384	0.639	0.487	0.494	0.993	0.974	0.958	1.0	0.822
Compound_441	CCCCCCCCCCCCCCCCC=CN(C)C	0.848	0.196	0.052	0.325	0.374	0.499	0.995	0.909	0.968	0.895	0.702
Compound_442	COC(=O)N1CCC(=O)C(C1)C	0.157	0.446	0.196	0.466	0.005	0.059	0.016	0.632	0.361	0.018	0.125
Compound_443	CCC(=O)OC(C(Cl)(Cl)Cl)c1ccccc1	0.492	0.195	0.525	0.735	0.178	0.318	0.914	0.963	0.293	0.864	0.678
Compound_444	COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cc(Cl)c(cc1OC)OC)C(=O)Nc1ccccc1	0.845	0.802	0.995	0.816	0.842	0.757	0.962	0.934	0.428	0.992	0.832
Compound_445	Oc1ccc2c(c1c1nc(nc(n1)c1c(O)ccc3c1cccc3)c1cc3ccc4c5c3c(c1)ccc5ccc4)cccc2	0.841	0.763	0.987	0.743	0.975	0.901	0.789	0.994	0.743	0.481	0.853
Compound_446	Nc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(N)nc(n2)Nc2ccccc2)nc(n1)Nc1ccccc1	0.95	0.455	0.968	0.457	0.808	0.751	0.763	0.96	0.494	0.043	0.423
Compound_447	CCn1ccc(=CC=Cc2ccc3c([n+]2CC)cccc3)c2c1cccc2	0.655	0.686	0.709	0.657	0.656	0.876	0.018	0.917	0.693	0.313	0.868
Compound_448	CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CC=C2OC(=O)C)C	0.931	0.764	0.086	0.646	0.971	0.782	0.742	0.895	0.249	0.999	0.932
Compound_449	COC(=O)CC(CC(C(=O)OC)(C)C)C	0.692	0.01	0.169	0.414	0.076	0.016	0.871	0.961	0.299	0.169	0.737
Compound_450	CC(CCCCCOC(=O)CCCC(=O)OCCCCCC(C)C)C	0.764	0.002	0.658	0.693	0.109	0.056	0.989	0.551	0.253	0.99	0.859
Compound_451	BrCC(COP(=O)(OCC(CBr)Br)Cl)Br	0.825	0.407	0.636	0.668	0.266	0.489	1.0	0.998	0.592	0.997	0.712
Compound_452	CC(CCCC(C1CCC2C1(C)CCC1C2C=CC2=CC(=O)C3C(C12C)O3)C)C	0.93	0.89	0.606	0.745	0.928	0.957	0.013	0.993	0.09	0.994	0.298
Compound_453	O=C1CCCC2(O1)CCCC2	0.902	0.445	0.112	0.59	0.142	0.105	0.808	0.952	0.104	0.961	0.433
Compound_454	ClCC(COc1cccc2c1cccc2)O	0.479	0.532	0.677	0.593	0.5	0.155	0.721	0.326	0.668	0.914	0.976
Compound_455	CC1CCC(=C(C1)OC(=O)C)C(C)C	0.916	0.389	0.411	0.531	0.221	0.066	0.872	0.954	0.869	1.0	0.649
Compound_456	CCCCC[Sn](CCCCC)(CCCCC)F	0.903	0.64	0.267	0.682	0.857	0.937	0.984	0.987	0.938	1.0	0.826
Compound_457	CCCCCC[Sn](CCCCCC)(CCCCCC)F	0.912	0.64	0.267	0.682	0.894	0.97	0.999	0.987	0.972	1.0	0.826
Compound_458	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)N)CC	0.156	0.757	0.979	0.597	0.752	0.57	0.997	0.76	0.495	0.028	0.871
Compound_459	CC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C	0.448	0.429	0.685	0.549	0.975	0.799	0.999	0.184	0.824	0.983	0.779
Compound_460	CC(c1ccc(cc1)S(=O)(=O)N)NC(=O)c1noc(c1)C	0.088	0.218	0.002	0.128	0.441	0.532	0.051	0.014	0.213	0.012	0.112
Compound_461	CC(=O)Oc1ccc2c(c1)CC=C1C2CCC2(C1CCC2O)C	0.813	0.96	0.085	0.716	0.978	0.955	0.006	0.969	0.148	0.989	0.175
Compound_462	CCCCCCCCC=CCCCCCCCCCCCC(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C	0.945	0.96	0.345	0.665	0.965	0.924	0.014	0.783	0.143	1.0	0.387
Compound_463	CCCCCCCCCCCCCCCC=CC1=NCCN1	0.229	0.359	0.2	0.406	0.086	0.171	0.028	0.039	0.815	0.234	0.152
Compound_464	OCC(C(=O)OCC)(C(=O)OCC)CO	0.693	0.053	0.188	0.567	0.182	0.152	0.251	0.184	0.26	0.379	0.652
Compound_465	CCOC(CC(=O)C)OCC	0.685	0.032	0.385	0.498	0.087	0.096	0.993	0.377	0.367	0.999	0.807
Compound_466	CCCCCCCCCCCCCCCCCC(=O)OCC1(CO)COC(=N1)CCCCCCCCCCCCCCCCC	0.523	0.442	0.179	0.658	0.056	0.15	0.661	0.301	0.201	0.012	0.448
Compound_467	CN(N=Nc1ccccc1C(=O)O)C	0.524	0.468	0.467	0.437	0.287	0.146	0.234	0.085	0.811	0.241	0.249
Compound_468	Cc1c(NC(=O)CC(=O)C)cccc1Cl	0.676	0.387	0.971	0.565	0.51	0.361	0.983	0.667	0.493	0.849	0.249
Compound_469	OCC12CCC(=O)C=C1CCC1C2CCC2(C1CCC2OC(=O)c1ccccc1)C	0.944	1.0	0.076	0.745	0.884	0.99	0.606	0.613	0.089	0.577	0.109
Compound_470	OCCC#CC=C	0.817	0.301	0.114	0.559	0.234	0.852	0.985	0.814	0.31	0.439	0.719
Compound_471	CCCCCCCC=CC1CC(=O)OC1=O	0.947	0.189	0.483	0.658	0.492	0.042	0.998	0.996	0.854	0.999	0.798
Compound_472	CCCC[Sn](Oc1ccc(cc1)C(c1ccc(cc1)O[Sn](CCCC)(CCCC)CCCC)(C)C)(CCCC)CCCC	0.864	0.517	0.155	0.669	0.997	1.0	0.96	0.722	0.767	0.996	0.682
Compound_473	CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(C(c1ccc(cc1)N(=O)=O)O)NC(=O)C(Cl)Cl	0.555	0.464	0.087	0.414	0.672	0.371	0.007	0.234	0.374	0.973	0.099
Compound_474	COc1cc(OC2OC(COC3OC(C)C(C(C3O)O)O)C(C(C2O)O)O)cc(c1C(=O)C=Cc1ccc(c(c1)O)OC)O	0.481	0.592	0.387	0.55	0.902	0.673	0.09	0.242	0.48	0.204	0.755
Compound_475	CC(=O)OC(c1ccccc1)Cc1ccccc1	0.252	0.632	0.627	0.551	0.5	0.478	0.911	0.929	0.511	0.63	0.554
Compound_476	CCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCCC	0.871	0.003	0.251	0.736	0.16	0.127	0.998	0.649	0.328	0.998	0.912
Compound_477	O=Cc1c(OC)cc(c2c1Oc1c(OC2=O)c(C)cc2c1C(O)OC2=O)C	0.562	0.704	0.894	0.429	0.787	0.765	0.972	0.29	0.435	0.071	0.909
Compound_478	CC(CC(=O)OC(C)C)CCC=C(C)C	0.847	0.013	0.371	0.545	0.142	0.006	0.784	0.993	0.634	0.998	0.903
Compound_479	c1ccc(cc1)c1ccc2c(c1)C1=NC2=NC2=NC(=NC3=NC(=NC4=NC(=N1)c1ccc(cc41)c1ccccc1)c1c3cc(cc1)c1ccccc1)c1c2cc(cc1)c1ccccc1	0.673	0.655	0.882	0.718	0.739	0.667	0.874	0.805	0.763	0.88	0.805
Compound_480	[NH3+]Cc1cccc(c1)N(=O)=O	0.89	0.202	0.334	0.528	0.066	0.174	0.055	0.893	0.751	0.492	0.745
Compound_481	CC(C1CCC(C(C1)N)(C)N)C	0.251	0.211	0.085	0.325	0.02	0.059	0.001	0.011	0.536	0.071	0.101
Compound_482	CC1=CCC(CC1)C1(C)CCC(O1)C(O)(C)C	0.923	0.538	0.044	0.531	0.561	0.139	0.406	0.438	0.482	0.458	0.892
Compound_483	ClC1=NC(=NP(N1)(Cl)Cl)Cl	0.532	0.326	0.579	0.506	0.739	0.314	0.043	0.99	0.848	0.227	0.478
Compound_484	CC(C(=O)CC(=O)C(F)(F)F)C	0.924	0.045	0.186	0.636	0.119	0.072	0.913	0.965	0.395	0.521	0.948
Compound_485	CSCCC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)CCSC)Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(CC(=O)O)N)Cc1ccc(cc1)OS(=O)(=O)O	0.505	0.609	0.029	0.256	0.856	0.665	0.987	0.035	0.38	0.052	0.528
Compound_486	C=COc1ccccc1S(=O)(=O)[O-]	0.699	0.555	0.788	0.452	0.239	0.28	0.931	0.958	0.339	0.935	0.166
Compound_487	O=C1OCC(C1)c1ccc(cc1)Cl	0.587	0.219	0.637	0.614	0.486	0.307	0.994	0.917	0.489	0.804	0.412
Compound_488	CCN1CCCC1=CN(=O)=O	0.182	0.509	0.014	0.151	0.072	0.093	0.085	0.44	0.665	0.8	0.818
Compound_489	O=N(=O)C=C1CCCN1C	0.232	0.423	0.008	0.161	0.072	0.093	0.085	0.439	0.637	0.06	0.754
Compound_490	Oc1ccc(cc1)N1CCCCC1	0.521	0.312	0.357	0.631	0.541	0.409	0.043	0.935	0.841	0.415	0.235
Compound_491	OCCNC(=O)CC(=O)C	0.007	0.114	0.03	0.233	0.009	0.023	0.0	0.026	0.407	0.021	0.086
Compound_492	CCOC=CBr	0.889	0.118	0.575	0.583	0.119	0.034	0.989	0.965	0.656	0.999	0.959
Compound_493	Clc1nc(nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-]	0.827	0.413	0.998	0.64	0.74	0.74	0.807	0.997	0.502	0.472	0.438
Compound_494	N#CC(CNc1ccc(c2c1C(=O)c1ccccc1C2=O)O)C	0.564	0.669	0.842	0.615	0.906	0.735	0.609	0.839	0.511	0.093	0.875
Compound_495	Nc1ccc2c(c1)c(cc(c2N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O	0.773	0.352	0.998	0.64	0.761	0.687	0.66	0.808	0.459	0.157	0.272
Compound_496	CCCc1ccc(cn1)CC	0.224	0.225	0.448	0.533	0.037	0.403	0.001	0.327	0.138	0.062	0.242
Compound_497	Cc1ccc(cc1)CSSCc1ccc(cc1)C	0.775	0.52	0.804	0.553	0.485	0.834	1.0	0.303	0.695	0.999	0.734
Compound_498	CC1CCOC(C1)CC(=O)C	0.891	0.206	0.117	0.459	0.078	0.043	0.978	0.089	0.402	0.783	0.488
Compound_499	CNc1ccc(cc1N(=O)=O)C(F)(F)F	0.981	0.443	0.965	0.616	0.738	0.074	0.568	0.996	0.634	0.587	0.902
Compound_500	CCCC(=O)NCC(=O)O	0.002	0.078	0.017	0.225	0.023	-0.0	0.0	0.013	0.09	0.02	0.032
Compound_501	Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)Oc1cc(O)c2c(c1N)C(=O)c1c(C2=O)cccc1	0.694	0.485	0.994	0.783	0.912	0.743	0.966	0.931	0.411	0.109	0.623
Compound_502	CCCCCCC(CC=CCCCCCCCC(=O)OCCOC(=O)CCCCCCCC=CCC(CCCCCC)O)O	0.972	0.168	0.118	0.7	0.645	0.241	0.894	0.932	0.254	0.976	0.372
Compound_503	CCCCCCC(CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCC(CCCCCC)O)(CO)CO)O	0.971	0.181	0.08	0.724	0.577	0.327	0.953	0.838	0.086	0.945	0.588
Compound_504	N#CCCN(c1ccc(c(c1)C)N=Nc1sc2c(n1)cc(c(c2)Cl)Cl)CC	0.629	0.653	0.967	0.626	0.694	0.678	0.991	0.997	0.699	0.563	0.475
Compound_505	C=CN1CCCN(C1=O)C=C	0.167	0.336	0.194	0.6	0.097	0.113	0.005	0.859	0.563	0.821	0.336
Compound_506	CC(=CCOCC=C(CCC=C(C)C)C)CCC=C(C)C	0.87	0.106	0.654	0.465	0.28	0.305	0.994	0.774	0.779	0.996	0.957
Compound_507	N#CC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C	0.776	0.439	0.155	0.517	0.84	0.478	0.894	0.897	0.798	0.907	0.794
Compound_508	OC1CC(=C(C(C1)(C)C)C#CC(O)C)C	0.727	0.561	0.133	0.636	0.334	0.94	0.393	0.371	0.562	0.99	0.644
Compound_509	c1ccc(cc1)C1Cc2c(N1)cccc2	0.332	0.561	0.779	0.409	0.253	0.356	0.403	0.858	0.52	0.744	0.511
Compound_510	COc1c(C(=O)C=Cc2ccc(cc2)OC)c(OCCN(C)C)c(c2c1cco2)OC	0.292	0.63	0.457	0.565	0.052	0.522	0.28	0.36	0.339	0.087	0.355
Compound_511	C1=COC2(CC1)CC1CC2C2C1CCC2	0.91	0.525	0.054	0.573	0.789	0.79	0.707	0.428	0.511	0.993	0.85
Compound_512	CCOC(=O)C=CSC=CC(=O)OCC	0.924	0.117	0.827	0.755	0.834	0.69	1.0	0.979	0.78	0.997	0.968
Compound_513	c1ccc(cc1)C(c1ccccc1)CCNc1ccncc1	0.058	0.561	0.857	0.362	0.568	0.816	0.305	0.062	0.493	0.032	0.303
Compound_514	Clc1nc(Nc2ccc3c(c2)cc(c(c3O)N=Nc2ccccc2S(=O)(=O)[O-])S(=O)(=O)[O-])nc(n1)N(c1ccccc1)CS(=O)(=O)[O-]	0.718	0.518	1.0	0.615	0.801	0.685	0.738	0.997	0.432	0.467	0.54
Compound_515	CC(OC(=O)CC(=O)C)COC(=O)C=C	0.986	0.073	0.398	0.778	0.787	0.594	0.999	0.993	0.578	0.993	0.846
Compound_516	CCC(C(=O)OOC(c1ccccc1)(C)C)(CCC(C)C)C	0.854	0.183	0.884	0.541	0.194	0.12	0.887	0.324	0.088	0.887	0.399
Compound_517	OC(=O)CC1CC(=O)OC1(C)C	0.179	0.334	0.01	0.136	0.118	0.046	0.9	0.782	0.43	0.104	0.375
Compound_518	Nc1ccc2c(c1)c1ccc3c4c1c(C2=O)ccc4c1c2c3ccc3c2c(cc1)C(=O)c1c3cccc1	0.916	0.707	0.993	0.866	0.953	0.977	0.998	0.986	0.479	0.831	0.989
Compound_519	OC(=O)C1CCC(=O)N1S(=O)(=O)c1cccc2c1cccc2	0.203	0.425	0.328	0.271	0.099	0.533	0.275	0.286	0.375	0.109	0.122
Compound_520	[O-]C(=O)C(C1=CCC=CC1)NC(=CC(=O)OC)C	0.272	0.379	0.08	0.423	0.343	0.072	0.031	0.974	0.26	0.13	0.732
Compound_521	O=C1OCCC1I	0.784	0.244	0.274	0.699	0.167	0.305	0.997	0.997	0.485	0.624	0.668
Compound_522	CCCCCCCCCCCCCCCS(=O)(=O)O	0.828	0.053	0.066	0.255	0.202	0.25	0.984	0.237	0.273	0.926	0.248
Compound_523	CCCCC(C(=O)O[Sn](OC(=O)C(CCCC)CC)(CCCCCCCC)CCCCCCCC)CC	0.764	0.039	0.136	0.485	0.888	0.86	0.996	0.931	0.365	0.956	0.74
Compound_524	SCC(C(=O)O)NC(=O)N	0.004	0.104	0.002	0.131	0.151	0.027	0.0	0.015	0.248	0.001	0.064
Compound_525	CCCCCCCCCCCCN=Cc1ccccc1	0.782	0.294	0.625	0.551	0.051	0.402	0.985	0.782	0.758	0.923	0.302
Compound_526	COc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(OC)nc(n2)NCC(O)C)nc(n1)NCC(O)C	0.906	0.514	0.884	0.377	0.715	0.724	0.642	0.872	0.422	0.73	0.62
Compound_527	CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CO	0.903	0.067	0.095	0.724	0.208	0.356	0.886	0.643	0.115	0.694	0.803
Compound_528	COc1ccc(cc1O)C1CC2CC1C(C2C)(C)C	0.948	0.566	0.268	0.522	0.863	0.571	0.54	0.109	0.198	0.869	0.889
Compound_529	COC(=O)CS(=O)(=O)c1ccccc1C(=O)OC	0.514	0.389	0.224	0.533	0.147	0.304	0.813	0.106	0.41	0.126	0.115
Compound_530	COC(=O)C1(OC)CS(=O)(=O)c2c1cccc2	0.465	0.575	0.039	0.448	0.084	0.193	0.829	0.45	0.366	0.044	0.244
Compound_531	COC(=O)C1(O)CSc2c1cc(OC)c(c2)OC	0.434	0.547	0.498	0.583	0.444	0.579	0.56	0.448	0.343	0.51	0.591
Compound_532	COC(=O)C1(O)CSc2c1cc(cc2)N(=O)=O	0.406	0.553	0.656	0.654	0.435	0.446	0.886	0.824	0.341	0.06	0.691
Compound_533	Brc1c(OCC=C)ccc(c1Br)Br	0.921	0.417	0.97	0.69	0.646	0.652	0.992	0.995	0.289	0.997	0.791
Compound_534	O=CN1CCC23C(C1Cc1c3cc(cc1)OC)CCCC2	0.396	0.649	0.393	0.677	0.246	0.917	0.013	0.587	0.369	0.062	0.153
Compound_535	[O-]S(=O)(=O)c1ccccc1N=C1C=CC(=C(c2ccc(cc2)Nc2ccccc2S(=O)(=O)[O-])c2ccc(cc2)Nc2ccccc2S(=O)(=O)[O-])C=C1	0.505	0.461	0.948	0.662	0.962	0.829	0.919	0.987	0.475	0.605	0.142
Compound_536	CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC	0.82	0.233	0.034	0.664	0.347	0.162	0.875	0.024	0.131	0.642	0.44
Compound_537	CCCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCCCC	0.082	0.376	0.084	0.433	0.007	0.249	0.085	0.093	0.446	0.203	0.12
Compound_538	OCC1CCC(CC1)C(C)(C)C	0.92	0.114	0.064	0.498	0.182	0.096	0.553	0.127	0.436	0.034	0.302
Compound_539	COC(=O)CCSSSCCC(=O)OC	0.613	0.032	0.22	0.542	0.183	0.06	0.997	0.982	0.423	0.948	0.63
Compound_540	OC1Cc2c(OC1c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)cc(cc2OCc1ccccc1)OCc1ccccc1	0.196	0.621	0.182	0.611	0.983	0.83	0.223	0.467	0.358	0.308	0.847
Compound_541	CCOC(=O)C1(C)OC21CCCCC2	0.922	0.311	0.1	0.659	0.276	0.083	0.937	0.916	0.157	0.719	0.838
Compound_542	[O-]S(=O)[N+](C)(C)C	0.554	0.223	0.106	0.339	0.179	0.172	0.127	0.672	0.177	0.987	0.56
Compound_543	CC(=O)OC(C(Cl)(Cl)Cl)c1ccc(c(c1)Cl)Cl	0.604	0.172	0.932	0.722	0.487	0.487	0.913	0.974	0.389	0.994	0.523
Compound_544	OCC12CCCc3c2c(c2c1cccc2)ccc3	0.351	0.544	0.797	0.644	0.723	0.971	0.599	0.622	0.224	0.815	0.927
Compound_545	NC(C1=CCC=CC1)C(=O)O	0.131	0.348	0.041	0.314	0.129	0.024	0.021	0.139	0.08	0.005	0.211
Compound_546	CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC	0.966	0.005	0.231	0.786	0.168	0.091	0.998	0.068	0.207	0.982	0.887
Compound_547	[S-]C(=S)NNC(=S)NC	0.339	0.116	0.376	0.373	0.234	0.251	0.005	0.213	0.804	0.99	0.372
Compound_548	O=C1NC2C(N1Cl)(Cl)N(C(=O)N2Cl)Cl	0.119	0.431	0.417	0.408	0.296	0.225	0.001	0.955	0.563	0.598	0.634
Compound_549	CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(CCO)CCO	0.093	0.356	0.275	0.549	0.019	0.774	0.471	0.125	0.922	0.006	0.141
Compound_550	CCCCCCCCC(C(=O)OCC)C(=O)C	0.872	0.026	0.394	0.667	0.122	0.064	0.984	0.354	0.338	0.938	0.897
Compound_551	CCCCCCCC(C(=O)O)C	0.754	0.01	0.072	0.2	0.083	0.005	0.888	0.226	0.056	0.854	0.358
Compound_552	O=C1C(CCCC1C1=CCCCC1)C1=CCCCC1	0.994	0.47	0.772	0.648	0.657	0.587	0.95	0.686	0.784	0.999	0.903
Compound_553	OCC(CC(C)C)O	0.648	0.153	0.264	0.453	0.038	0.02	0.927	0.005	0.087	0.064	0.116
Compound_554	COc1ccc(cc1N=Nc1c(C)nn(c1N)c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O	0.447	0.478	0.427	0.369	0.646	0.65	0.016	0.23	0.396	0.014	0.441
Compound_555	CCC(NC=O)(C)C	0.06	0.016	0.094	0.326	0.003	0.052	0.003	0.257	0.464	0.53	0.246
Compound_556	COC1Cc2c(OC1c1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)cc(cc2OCc1ccccc1)OCc1ccccc1	0.361	0.65	0.701	0.59	0.982	0.848	0.78	0.5	0.391	0.121	0.948
Compound_557	CC1SSC(S1)C	0.661	0.431	0.6	0.614	0.416	0.222	0.964	0.975	0.838	0.998	0.683
Compound_558	OC(=O)CCC1OOC23C(C1(CC2)C(=O)C)(C)CCC1C3CCC2=CC(=O)CCC12C	0.92	1.0	0.018	0.408	0.928	0.574	0.273	0.155	0.19	0.898	0.478
Compound_559	CCCCCCCC(=O)NCC(O)C	0.065	0.082	0.007	0.287	0.014	0.05	0.002	0.118	0.311	0.013	0.033
Compound_560	CCCCCCCCCC(=O)NCC(O)C	0.075	0.082	0.007	0.287	0.014	0.05	0.002	0.118	0.267	0.013	0.033
Compound_561	CCC(=O)OC1(CCC2C1(C)CC(ON(=O)=O)C1C2CCC2=CC(=O)C=CC12C)C(=O)C	0.929	0.97	0.544	0.801	0.616	0.902	0.041	0.987	0.288	0.937	0.388
Compound_562	Cc1cc(ccc1OCCOCC[N+](Cc1ccccc1)(C)C)C(CC(C)(C)C)(C)C	0.098	0.399	0.082	0.613	0.294	0.978	0.024	0.948	0.919	0.003	0.142
Compound_563	CCCC[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)CCCC	0.744	0.068	0.497	0.627	0.932	0.95	0.992	0.916	0.543	0.991	0.706
Compound_564	N#CCCN(c1ccc(cc1)N=Nc1sc2c(n1)cc(c(c2)Cl)Cl)CC	0.775	0.653	0.983	0.632	0.694	0.681	0.817	0.996	0.735	0.616	0.534
Compound_565	ON=CC=Cc1ccccc1	0.698	0.436	0.919	0.743	0.066	0.547	0.501	0.976	0.749	0.949	0.824
Compound_566	CC[NH+](CCOC(=O)C(Cc1ccc2c(c1)cccc2)Cc1ccco1)CC	0.108	0.583	0.381	0.452	0.071	0.246	0.824	0.71	0.383	0.233	0.384
Compound_567	CCNCCC(=O)OCC	0.018	0.107	0.131	0.496	0.018	0.004	0.001	0.016	0.162	0.486	0.288
Compound_568	ClC1(Cl)CC21C1CCC(C2(C)C)C1	1.002	0.39	0.368	0.571	0.74	0.527	0.96	0.816	0.472	0.986	0.46
Compound_569	C(c1cnc[nH]1)C1NC(=O)OC1=O	0.244	0.208	0.331	0.301	0.143	0.664	0.003	0.495	0.236	0.014	0.278
Compound_570	CCCC(=O)OC1(CCC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)CO	0.965	1.0	0.045	0.997	0.753	0.932	0.322	0.033	0.214	0.224	0.072
Compound_571	CC1CCc2c1c(O)ccc2	0.664	0.453	0.663	0.592	0.436	0.157	0.406	0.817	0.48	0.866	0.586
Compound_572	[O-]C(=O)C(C(C(=O)OCCN(CCOC(=O)C(C(C(=O)O)O)O)CCOC(=O)C(C(C(=O)[O-])O)O)O)O	0.018	0.059	0.007	0.102	0.593	0.373	0.052	0.429	0.367	0.504	0.699
Compound_573	c1ccc(cc1)CC[n+]1ccccc1	0.104	0.448	0.834	0.613	0.05	0.863	0.005	0.96	0.805	0.223	0.355
Compound_574	CCCCOc1ccc(cc1)C[N+]1(C)C2CCC1CC(C2)OC(=O)C(c1ccccc1)CO	0.122	0.707	0.021	0.445	0.157	0.637	0.014	0.273	0.18	0.006	0.293
Compound_575	CNS(=O)(=O)c1ccc(c(c1)N=Nc1c(O)ccc2c1c(ccc2)NC(=O)C)O	0.68	0.505	0.111	0.386	0.593	0.673	0.044	0.878	0.403	0.574	0.301
Compound_576	CCOC(=O)C1(CC(=O)C)OC(=O)C(=C1C(=O)C)O	0.895	0.563	0.062	0.573	0.011	0.07	0.874	0.19	0.403	0.89	0.865
Compound_577	OCC1(CC1)c1ccccc1	0.218	0.3	0.224	0.523	0.149	0.192	0.985	0.072	0.282	0.481	0.565
Compound_578	O=C(c1ccc(c(c1)O)O)c1ccccn1	0.256	0.595	0.508	0.62	0.481	0.599	0.009	0.835	0.262	0.147	0.906
Compound_579	CCOC(=O)c1ccc(cc1)N=NC1C(=NN(C1=O)c1ccccc1)C(=O)N	0.439	0.639	0.978	0.464	0.257	0.78	0.035	0.023	0.401	0.1	0.624
Compound_580	O=c1[nH]c2c(o1)cc(c(c2)S(=O)(=O)C)N(=O)=O	0.348	0.457	0.55	0.455	0.36	0.589	0.063	0.253	0.405	0.182	0.526
Compound_581	O=C1CCCCCCCCCCC1Br	0.976	0.158	0.301	0.65	0.707	0.181	0.981	0.992	0.375	1.0	0.536
Compound_582	ClCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.519	0.54	0.179	0.676	0.99	0.81	0.998	0.945	0.983	0.996	0.885
Compound_583	O=S(=O)(C(Br)(Br)Br)c1nc2c(s1)cccc2	0.913	0.497	0.995	0.652	0.592	0.646	0.995	0.984	0.862	0.926	0.375
Compound_584	CC(=O)OC1C(OC(=O)C)C(OC1n1c(Br)nc2c1ncnc2N)COC(=O)C	0.719	0.684	0.544	0.583	0.317	0.235	0.081	0.894	0.671	0.098	0.652
Compound_585	CCC(c1c(O)cccc1C(CC)C)C	0.661	0.124	0.302	0.645	0.355	0.047	0.349	0.845	0.605	0.988	0.344
Compound_586	CCCC[Sn](SC#N)(CCCC)CCCC	0.885	0.489	0.019	0.581	0.86	0.916	0.885	0.988	0.949	0.996	0.678
Compound_587	CCOC(=O)C1C(=CC(=O)CC1(C)C)C	0.927	0.413	0.786	0.752	0.025	0.023	0.65	0.987	0.31	0.976	0.694
Compound_588	COc1cc(N=Nc2c(cc3c(c2O)c(NC(=O)c2ccccc2)cc(c3)S(=O)(=O)O)S(=O)(=O)O)c(cc1N=Nc1c(O)c2c(NC(=O)c3ccc(cc3)S(=O)(=O)C)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)OC	0.695	0.555	0.963	0.581	0.737	0.681	0.994	0.174	0.406	0.892	0.24
Compound_589	O=C(OC(C)(C)C)NC(C(=O)O)Cc1ncn(c1)C(=O)OC(C)(C)C	0.271	0.313	0.11	0.22	0.189	0.372	0.013	0.178	0.266	0.13	0.382
Compound_590	CCCCCCCCCc1ccc(cc1)OP(Oc1ccc(cc1C(C)(C)C)C(c1ccc(c(c1)C(C)(C)C)O)(C)C)Oc1ccc(cc1)CCCCCCCCC	0.945	0.672	0.532	0.663	0.993	0.916	0.32	0.962	0.829	0.993	0.794
Compound_591	OCC1OC(OCC2OC(OC3CCC4(C(C3)CCC3C4CCC4(C3(O)CCC4C3=CC(=O)OC3)C)C)C(C(C2O)O)O)C(C(C1O)O)O	0.942	0.98	0.001	0.729	0.981	0.943	0.954	0.492	0.98	0.554	0.087
Compound_592	OCC[N+](CCO)(CCO)CC	0.053	0.26	0.09	0.449	0.034	0.021	0.006	0.254	0.516	0.008	0.2
Compound_593	N#N=NC(N=N#N)[SiH2]c1ccccc1	0.74	0.324	0.62	0.526	0.043	0.485	0.488	0.774	0.901	0.841	0.246
Compound_594	CCC=CC=CCCCCCCCCOC(=O)C	0.971	0.013	0.244	0.701	0.627	0.204	0.999	0.995	0.889	1.0	0.962
Compound_595	CCCCCCC(C1C2=C(CC(CC3=C(C1O)C(=O)OC3=O)C(C1CC=CC(=O)O1)O)C(=O)OC2=O)O	0.903	0.72	0.237	0.621	0.873	0.619	0.811	0.956	0.487	0.719	0.047
Compound_596	CNS(=O)(=O)c1ccc(c(c1)N=NC(C(=O)Nc1ccccc1)C(=O)C)O	0.369	0.323	0.397	0.461	0.433	0.611	0.061	0.585	0.321	0.294	0.247
Compound_597	CC1CC(=C(C1=O)O)C	0.734	0.35	0.106	0.522	0.046	0.032	0.644	0.828	0.228	0.627	0.388
Compound_598	CCCC[Sn](OC(=O)C=C)(OC(=O)C=C)CCCC	0.934	0.116	0.194	0.644	0.986	0.958	0.997	1.0	0.954	0.999	0.717
Compound_599	CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)N(=O)=O)CC[N+](C)(C)C	0.876	0.6	0.802	0.707	0.639	0.768	0.888	0.937	0.481	0.287	0.669
Compound_600	CC(OC(=O)C=CC(=O)O)COC(=O)C=C	0.942	0.068	0.084	0.51	0.877	0.597	0.986	0.977	0.887	0.734	0.708
Compound_601	CCCC[Sn](OC(=O)C(C(C(=O)O[Sn](CCCC)(CCCC)CCCC)Br)Br)(CCCC)CCCC	0.865	0.168	0.071	0.72	0.856	0.499	0.997	0.999	0.809	0.997	0.717
Compound_602	CCCCC(CNC(=O)c1ccc(cc1)N=Nc1c(O)n(C)c(=O)c(c1C)C#N)CC	0.409	0.497	0.262	0.453	0.647	0.565	0.006	0.332	0.556	0.011	0.329
Compound_603	CCOCC(=O)P(=O)(OCC)OCC	0.804	0.024	0.578	0.524	0.124	0.112	0.925	0.07	0.322	0.828	0.603
Compound_604	ON=C(C(=O)N(C)C)Cl	0.365	0.149	0.559	0.645	0.25	0.042	0.694	0.994	0.449	0.959	0.698
Compound_605	Cc1cc(ccc1N)C(c1ccc(cc1)Nc1ccccc1S(=O)(=O)[O-])(c1ccc(cc1)Nc1ccccc1)O	0.354	0.339	0.48	0.399	0.922	0.744	0.897	0.676	0.421	0.175	0.225
Compound_606	ClC(c1ccccc1)CC(Cl)(Cl)Cl	0.845	0.175	0.567	0.684	0.703	0.941	0.997	0.84	0.091	0.997	0.438
Compound_607	COc1c(O)cccc1C1CC2C(C1(C)CC2)(C)C	0.764	0.726	0.172	0.675	0.726	0.367	0.227	0.101	0.43	0.937	0.882
Compound_608	CCCCC(COP(=O)(OP(=O)(OCC(CCCC)CC)O)O)CC	0.899	0.077	0.019	0.348	0.11	0.262	0.996	0.012	0.497	0.898	0.461
Compound_609	CCCCCCCCCCCCCCCCCC(=O)OCC(C(C(C(CO)O)O)O)O	0.745	0.281	0.047	0.677	0.182	0.088	0.818	0.134	0.122	0.921	0.086
Compound_610	CCC(C#CCl)(C=C)O	0.76	0.207	0.096	0.68	0.399	0.75	0.796	0.978	0.609	0.889	0.81
Compound_611	Cc1ccc(cc1)N1N=C(C(C1=O)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC1C(=NN(C1=O)c1ccccc1)C)C	0.648	0.642	0.992	0.735	0.719	0.706	0.988	0.525	0.411	0.971	0.455
Compound_612	BrC1=CC(=N)c2c(C1=O)c(N)cc(c2O)Br	0.584	0.532	0.308	0.471	0.694	0.653	0.756	0.971	0.577	0.938	0.95
Compound_613	CCCC(=O)OC1(CCC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)COC(=O)C	0.968	1.0	0.068	0.997	0.753	0.932	0.322	0.022	0.248	0.353	0.057
Compound_614	OC(=O)C(NC(=O)OC(C)(C)C)COCc1ccccc1	0.017	0.275	0.02	0.214	0.094	0.079	0.038	0.224	0.329	0.082	0.125
Compound_615	CCSc1ccc(c(c1)C(=O)NCC1CCCN1CC)OC	0.089	0.494	0.054	0.243	0.121	0.278	0.043	0.046	0.279	0.033	0.111
Compound_616	COC1C(NC(=O)N1CO)OC	0.04	0.316	0.067	0.297	0.048	0.015	0.001	0.196	0.312	0.008	0.332
Compound_617	C[N+]1(C)CCOCC1	0.099	0.239	0.054	0.494	0.007	0.007	0.006	0.025	0.262	0.003	0.088
Compound_618	CC(=CC(=O)O)C1CCCCC1	0.937	0.258	0.072	0.293	0.674	0.109	0.904	0.547	0.887	0.979	0.601
Compound_619	N#CC(=CN1CCOCC1)C(=O)N	0.119	0.316	0.002	0.104	0.359	0.03	0.009	0.053	0.434	0.458	0.724
Compound_620	CCCCCCCCCCCC(=O)OCC[N+](C)(C)C	0.151	0.331	0.039	0.738	0.063	0.052	0.929	0.093	0.121	0.03	0.205
Compound_621	CC(C(C(=O)C)C)C(=O)C	0.927	0.112	0.349	0.49	0.046	0.012	0.795	0.101	0.559	0.964	0.947
Compound_622	CCn1c2cc(Cl)c(cc2n(c1=CC=CC1[NH+](CCOC(=O)C)c2c(N1CC)cc(c(c2)Cl)Cl)CCOC(=O)C)Cl	0.533	0.581	0.938	0.525	0.585	0.797	0.496	0.947	0.553	0.921	0.439
Compound_623	Clc1ccccc1Cn1cccc1	0.675	0.54	0.762	0.665	0.275	0.763	0.353	0.943	0.667	0.933	0.399
Compound_624	[O-]S(=O)CNCS(=O)[O-]	0.271	0.153	0.043	0.266	0.288	0.183	0.013	0.244	0.41	0.967	0.5
Compound_625	Clc1ccc(cc1)Nc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C=Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(Nc3ccc(cc3)Cl)nc(n2)Nc2ccc(cc2)Cl)nc(n1)Nc1ccc(cc1)Cl	0.956	0.521	0.983	0.478	0.805	0.73	0.616	0.958	0.54	0.612	0.449
Compound_626	COc1ccc(cc1)NC(=O)C(C(=O)C)N=Nc1ccc(cc1N(=O)=O)Cl	0.62	0.76	0.993	0.728	0.768	0.681	0.56	0.879	0.447	0.989	0.82
Compound_627	OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)CO	0.943	0.194	0.046	0.652	0.483	0.182	0.744	0.87	0.852	0.862	0.906
Compound_628	OCCC(CCC(CC)(CC)O)C	0.929	0.114	0.074	0.463	0.107	0.058	0.93	0.062	0.128	0.506	0.628
Compound_629	O=C1N(Cc2ccccc2)C2C(N1Cc1ccccc1)C(=O)OC2=O	0.125	0.519	0.353	0.546	0.319	0.145	0.122	0.614	0.403	0.898	0.6
Compound_630	COc1cc(OC)ccc1CN	0.349	0.163	0.635	0.609	0.049	0.094	0.037	0.009	0.775	0.016	0.128
Compound_631	CN1c2ccc3c(c2C(C1=CC=CC=CC=CC1=[N+](C)c2c(C1(C)C)c1ccccc1cc2)(C)C)cccc3	0.513	0.7	0.071	0.575	0.955	0.82	0.992	0.982	0.811	0.91	0.889
Compound_632	CN(c1ccc(cc1)C(=C1C=C(C)C(=O)C(=C1)C(=O)O)c1cc(C)c(c(c1)C(=O)O)O)C	0.724	0.756	0.437	0.392	0.907	0.99	0.97	0.96	0.611	0.927	0.814
Compound_633	CCCCCCC(OC(=O)C)C=C	0.983	0.009	0.1	0.668	0.689	0.105	0.997	0.996	0.913	1.0	0.889
Compound_634	CC(S(=O)(=O)[O-])N(C(S(=O)(=O)[O-])C)C(S(=O)(=O)[O-])C	0.153	0.156	0.226	0.27	0.122	0.175	0.065	0.86	0.366	0.991	0.273
Compound_635	CC(CC(C(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)c1ccccc1)C	0.349	0.449	0.276	0.218	0.147	0.756	0.034	0.072	0.373	0.044	0.126
Compound_636	OC12CCCc3c2c(c2c1cccc2)ccc3	0.366	0.696	0.724	0.625	0.782	0.906	0.602	0.841	0.441	0.798	0.821
Compound_637	CC(CCCCCCCCCCOP(=O)(OCCCCCCCCCCC(C)C)O)C	0.955	0.07	0.242	0.372	0.148	0.093	0.987	0.021	0.256	0.778	0.402
Compound_638	CCN(c1c(I)c(NC(=O)CCS(=O)(=O)CCC(=O)Nc2c(I)c(N(C(=O)C)CC)c(c(c2I)C(=O)O)I)c(c(c1I)C(=O)O)I)C(=O)C	0.046	0.491	0.034	0.308	0.201	0.499	0.031	0.27	0.391	0.925	0.367
Compound_639	OCC1OC(C(C1O)O)n1ccc(cc1=O)O	0.496	0.231	0.057	0.482	0.513	0.347	0.108	0.196	0.173	0.051	0.649
Compound_640	NC(=O)C(c1ccccc1)N1CCCC1	0.009	0.35	0.008	0.14	0.003	0.049	0.012	0.004	0.21	0.037	0.03
Compound_641	CCCCC(C(=O)C(C(CCCC)CC)O)CC	0.857	0.046	0.074	0.61	0.031	0.12	0.974	0.317	0.456	0.872	0.511
Compound_642	CCCCCC=CCC=CCCCCCCCC(=O)OC1C(O)C(OC1(CO)OC1OC(CO)C(C(C1O)O)O)CO	0.846	0.512	0.023	0.498	0.376	0.374	0.896	0.217	0.271	0.94	0.175
Compound_643	Oc1ccc2c(c1)oc1c2cccc1	0.45	0.752	0.96	0.673	0.701	0.92	0.993	0.427	0.546	0.856	0.812
Compound_644	CCCCCCCCCCCCOC(=O)C(SC(C(=O)OCCCCCCCCCCCC)C)C	0.8	0.039	0.159	0.705	0.43	0.245	0.998	0.905	0.677	0.997	0.924
Compound_645	CC1CN1CC(CO)O	0.025	0.363	0.067	0.101	0.525	0.407	0.01	0.022	0.096	0.033	0.165
Compound_646	CC(=C)c1cccs1	0.856	0.705	0.616	0.486	0.128	0.499	0.998	0.978	0.979	0.998	0.781
Compound_647	COC(=O)C1(C)CCCC1=O	0.685	0.387	0.237	0.518	0.113	0.133	0.936	0.85	0.277	0.058	0.692
Compound_648	CCCCCCCCCCCCCCCCC(CC#N)O	0.962	0.067	0.03	0.566	0.329	0.235	0.973	0.853	0.572	0.764	0.725
Compound_649	CCOC(=O)C(SSC)C	0.558	0.067	0.577	0.602	0.146	0.068	0.998	0.621	0.599	0.963	0.706
Compound_650	CSC(=O)CC(C)C	0.763	0.048	0.687	0.523	0.048	0.005	0.988	0.951	0.208	0.8	0.815
Compound_651	CC1CCc2c1nccn2	0.154	0.494	0.288	0.456	0.286	0.392	0.011	0.6	0.757	0.021	0.68
Compound_652	CCCCCCCC[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC	0.679	0.059	0.106	0.638	0.954	0.969	0.999	0.866	0.69	0.997	0.714
Compound_653	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cnn1c1ccccc1)CC	0.357	0.707	0.908	0.583	0.782	0.635	0.999	0.754	0.589	0.034	0.521
Compound_654	O=C1CCCC2(C1O2)C	0.869	0.406	0.065	0.5	0.102	0.15	0.952	0.666	0.239	0.606	0.455
Compound_655	CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)c(C)cc(c1)C)CC	0.139	0.756	0.964	0.642	0.738	0.659	0.996	0.945	0.539	0.89	0.857
Compound_656	CCCCCCCCCCCCCCCCCCOC(=O)C(SC(C(=O)OCCCCCCCCCCCCCCCCCC)C)C	0.8	0.039	0.159	0.705	0.546	0.274	0.998	0.905	0.677	0.997	0.924
Compound_657	CCOC(=O)C=Cc1sc(=C2SC(=S)N(C2=O)CC(=O)O)n(c1C)C	0.505	0.431	0.028	0.38	0.487	0.773	0.503	0.473	0.511	0.79	0.626
Compound_658	N#CNC(=NC)NC	0.223	0.189	0.721	0.337	0.157	0.017	0.0	0.473	0.408	0.252	0.256
Compound_659	O=c1[nH]c(c([nH]1)c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-]	0.432	0.522	0.277	0.518	0.289	0.724	0.019	0.721	0.331	0.014	0.298
Compound_660	CCCC[Sn](SCC(=O)OCC(CCCC)CC)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC	0.711	0.059	0.106	0.638	0.946	0.964	0.996	0.866	0.682	0.997	0.714
Compound_661	Nc1ccc(nc1)Nc1ccccc1	0.669	0.824	0.94	0.627	0.137	0.584	0.017	0.969	0.627	0.602	0.421
Compound_662	Nc1ccc(cn1)N	0.363	0.328	0.936	0.556	0.033	0.159	0.008	0.835	0.62	0.492	0.102
Compound_663	OCC(OC(=O)CC)CO	0.614	0.076	0.063	0.573	0.077	0.043	0.061	0.435	0.126	0.84	0.296
Compound_664	ClC(=CCCl)C=O	0.944	0.165	0.692	0.722	0.702	0.398	1.0	0.999	1.003	0.999	0.997
Compound_665	O=c1c2cccc3c2c(c2n1c1ccccc1n2)ccc3	0.738	0.706	0.873	0.486	0.755	0.865	0.935	0.377	0.678	0.567	0.336
Compound_666	CO[Si](CCCNCCNC(=O)N)(OC)OC	0.031	0.116	0.003	0.213	0.03	0.137	0.0	0.045	0.225	0.006	0.16
Compound_667	CC(CCc1ccc(cc1)Oc1ccccc1N)C	0.462	0.526	0.963	0.528	0.611	0.779	0.975	0.954	0.353	0.819	0.581
Compound_668	CO[Si](CCCNC(=O)N)(OC)OC	0.143	0.079	0.021	0.24	0.018	0.122	0.001	0.094	0.714	0.001	0.108
Compound_669	CCCCCCCCCCCCC(COC(=O)CCCCCCCCCCC)CCCCCCCCCC	0.871	0.012	0.147	0.702	0.151	0.063	0.998	0.401	0.229	0.997	0.905
Compound_670	CCCCCCCCCCCCCCCCCC[N+](CCC[Si](OC)(OC)OC)(C)C	0.872	0.475	0.028	0.653	0.052	0.244	0.979	0.488	0.905	0.02	0.344
Compound_671	OCC(C(CCC=C(C)C)C)C	0.875	0.143	0.077	0.576	0.092	0.016	0.248	0.267	0.212	0.12	0.894
Compound_672	O=N(=O)c1ccc(cc1C)OCc1ccccc1	0.85	0.819	0.808	0.71	0.915	0.927	0.999	0.993	0.571	0.991	0.953
Compound_673	C1CC=CC(=COCc2ccccc2)C1	0.728	0.503	0.904	0.613	0.07	0.655	0.981	0.662	0.848	0.989	0.957
Compound_674	CCO[Si](OCC)(OCC)CCCNC(=O)N	0.256	0.09	0.099	0.267	0.032	0.127	0.001	0.11	0.518	0.005	0.13
Compound_675	OC(=O)c1cnc2c(c1O)cccc2C(F)(F)F	0.303	0.508	0.527	0.479	0.441	0.281	0.982	0.948	0.331	0.129	0.906
Compound_676	OC(=O)c1sccc1C	0.296	0.397	0.558	0.286	0.159	0.351	0.983	0.008	0.58	0.407	0.164
Compound_677	CCn1c2cc3nc4ccccc4n(c3cc2nc2c1cccc2)CC	0.567	0.705	0.937	0.528	0.593	0.712	0.197	0.227	0.832	0.28	0.474
Compound_678	COC(=O)c1ccc(cc1C(=O)O)C(c1cccc(c1)N)O	0.366	0.709	0.082	0.414	0.418	0.74	0.993	0.047	0.626	0.143	0.66
Compound_679	COC(=O)C(Oc1ccc(cc1Cl)Cl)C	0.218	0.139	0.793	0.733	0.123	0.092	0.642	0.826	0.545	0.918	0.149
Compound_680	Oc1ccc2c(c1N=Nc1ccccc1N(=O)=O)ccc(c2)S(=O)(=O)O	0.884	0.436	0.985	0.63	0.834	0.649	0.738	0.986	0.452	0.547	0.444
Compound_681	CCCC[Sn](=O)S	0.695	0.17	0.028	0.309	0.725	0.876	0.995	0.059	0.948	0.997	0.693
Compound_682	Cc1c(Sc2c(C)c(cc(c2O)C(C)(C)C)C(C)(C)C)c(O)c(cc1C(C)(C)C)C(C)(C)C	0.516	0.44	0.571	0.631	0.642	0.736	0.311	0.332	0.894	0.997	0.941
Compound_683	O=COC1CCC2(C(=CCC3C2CCC2(C3CCC2(O)C(=O)C)C)C1)C	0.908	1.0	0.005	0.812	0.741	0.909	0.021	0.405	0.144	0.313	0.055
Compound_684	OC(=O)CCC(=O)OCCOC(=O)C(=C)C	0.911	0.221	0.063	0.273	0.535	0.199	0.983	0.565	0.653	0.992	0.817
Compound_685	OCC(C(=O)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)NC(=O)OCc1ccc(cc1)OC	0.29	0.565	0.215	0.41	0.72	0.635	0.348	0.616	0.435	0.539	0.179
Compound_686	Oc1ccc2c(c1)n[nH]c2	0.598	0.644	0.965	0.561	0.782	0.649	0.013	0.33	0.796	0.602	0.937
Compound_687	CCN(CCNc1ccc(c2c1c(=O)c1c(o2)cccc1)OC)CC	0.587	0.675	0.932	0.319	0.143	0.663	0.003	0.784	0.292	0.102	0.722
Compound_688	Nc1ccc(c(c1)N)N=Nc1ccc(cc1)N(=O)=O	1.003	0.656	0.999	0.718	0.475	0.841	0.907	0.998	0.748	0.961	0.957
Compound_689	OC(=O)C(c1cccc(c1O)C(=O)c1ccccc1)C	0.127	0.748	0.099	0.348	0.624	0.659	0.459	0.118	0.216	0.31	0.359
Compound_690	C[NH+](C1CCSSS1)C	0.12	0.287	0.09	0.372	0.029	0.031	0.002	0.714	0.356	0.668	0.552
Compound_691	CN1CCN2C(C1)c1ccccc1Oc1c2cc(C)cc1	0.173	0.766	0.395	0.11	0.541	0.478	0.002	0.006	0.505	0.083	0.232
Compound_692	Clc1cccc(c1Cl)[Si](Cl)(Cl)Cl	0.952	0.339	0.854	0.658	0.204	0.538	0.998	0.996	0.956	1.0	0.54
Compound_693	CCCCCCCCCCCCCCC(C(=O)O)C	0.754	0.01	0.072	0.2	0.11	0.02	0.992	0.226	0.077	0.854	0.358
Compound_694	O=N(=O)c1ccc(cc1)N=Nc1ccc(cc1)NCS(=O)(=O)[O-]	0.979	0.515	0.992	0.559	0.291	0.852	0.745	0.996	0.422	0.115	0.482
Compound_695	CCOC(C1CCC(=CC1)C)(C)C	0.925	0.174	0.66	0.542	0.167	0.063	0.558	0.227	0.504	0.999	0.943
Compound_696	CCCCCCCCCCc1ccccc1O	0.756	0.293	0.529	0.567	0.389	0.466	0.885	0.948	0.95	0.99	0.664
Compound_697	Cc1cccc(c1S(=O)(=O)O)S(=O)(=O)O	0.685	0.32	0.409	0.3	0.369	0.67	0.932	0.057	0.373	0.886	0.021
Compound_698	CC(=O)OCC1=C(C(=O)[O-])N2C(SC1)C(C2=O)NC(=O)Cn1cnnn1	0.173	0.308	0.046	0.135	0.168	0.242	0.003	0.495	0.062	0.398	0.16
Compound_699	CC1OCCN(C1)CCN=C=NC1CCCCC1	0.23	0.388	0.015	0.174	0.031	0.116	0.0	0.445	0.268	0.177	0.11
Compound_700	NC1C(O)C2(C(C1CC2)(C)C)C	0.064	0.564	0.006	0.362	0.18	0.233	0.003	0.209	0.161	0.03	0.322
Compound_701	COc1cc(N=Nc2cc3c(c(c2)S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])c(cc1Nc1nc(Cl)nc(n1)N(c1ccccc1)CS(=O)(=O)[O-])C	0.709	0.629	1.0	0.548	0.714	0.684	0.976	0.599	0.435	0.58	0.513
Compound_702	NOC(c1ccccc1)(c1ccccc1)c1ccccc1	0.652	0.636	0.806	0.553	0.761	0.93	0.928	0.357	0.59	0.451	0.909
Compound_703	OCC(C(C(CNc1ccc(c(c1N=Nc1ccccc1)C)C)O)O)O	0.559	0.616	0.915	0.446	0.287	0.101	0.009	0.041	0.195	0.11	0.241
Compound_704	Clc1ccc(cc1)C1(OOC(C)(C)C)OC(=O)c2c1cccc2	0.799	0.603	0.498	0.599	0.751	0.552	0.828	0.622	0.495	0.515	0.909
Compound_705	NC(C(SSC(C(C(=O)O)N)(C)C)(C)C)C(=O)O	0.064	0.17	0.003	0.141	0.119	0.005	0.001	0.001	0.105	0.05	0.334
Compound_706	C(COB1OCCCO1)COB1OCCCO1	0.638	0.439	0.199	0.496	0.561	0.754	0.954	0.676	0.728	0.817	0.694
Compound_707	CCN1CCC(C1)O	0.047	0.271	0.033	0.151	0.013	0.015	0.006	0.118	0.119	0.446	0.107
Compound_708	CCOC(=O)C1CCCCN1C	0.111	0.359	0.091	0.141	0.034	0.012	0.002	0.035	0.185	0.245	0.1
Compound_709	Clc1cc2c(c(c1Cl)Cl)C(=O)c1c3c2ccc2c3c(cc1)c1c3c2ccc2c3c(cc1)c1c(C2=O)cccc1	0.888	0.656	0.999	0.754	0.895	0.765	0.996	0.983	0.425	0.953	1.001
Compound_710	CCC(N(C)C)N	0.023	0.135	0.011	0.216	0.008	0.004	0.0	0.046	0.364	0.529	0.138
Compound_711	CCn1c(=O)oc2c1cccc2	0.242	0.43	0.905	0.536	0.09	0.049	0.263	0.591	0.58	0.527	0.145
Compound_712	O=C(c1ccccc1C(=O)O)c1ccccc1C(=O)O	0.771	0.456	0.465	0.388	0.399	0.344	0.971	0.509	0.564	0.261	0.805
Compound_713	N#CCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1Cl)N(=O)=O)CCOC(=O)c1ccccc1	0.797	0.604	0.516	0.701	0.905	0.724	0.817	0.941	0.511	0.985	0.812
Compound_714	CSCCCCC(=O)N(OS(=O)(=O)O)SC1OC(CO)C(C(C1O)O)O	0.53	0.393	0.016	0.323	0.369	0.517	0.04	0.431	0.373	0.208	0.5
Compound_715	CC1CC(C)NC(C1)C	0.053	0.134	0.046	0.247	0.008	0.043	0.0	0.044	0.644	0.497	0.009
Compound_716	O=C1c2c(cccc2C(=O)c2c1cccc2Nc1ccccc1N(=O)=O)Nc1ccccc1N(=O)=O	0.719	0.782	0.924	0.668	0.926	0.624	0.989	0.992	0.605	0.992	0.985
Compound_717	CCCCCCCCOC(=O)CCS[Sn](SCCC(=O)O[Sn](OCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC	0.684	0.038	0.134	0.662	0.955	0.969	0.998	0.916	0.658	0.957	0.714
Compound_718	CCOC(=O)C(=CC)P(=O)(OCC)OCC	0.898	0.147	0.78	0.747	0.729	0.155	0.997	0.997	0.832	0.999	0.529
Compound_719	Nc1nc(=O)c2c([nH]1)NCCN2	0.162	0.458	0.544	0.364	0.21	0.679	0.0	0.093	0.124	0.006	0.293
Compound_720	COc1ccc(cc1)CC1N(CCC(=C1C)C)Cc1ccccc1	0.244	0.581	0.297	0.135	0.247	0.987	0.003	0.148	0.5	0.064	0.283
Compound_721	CCCCC(=O)OC1(CCC2C1(C)CC(O)C1C2CC(C2=CC(=O)C=CC12C)F)C(=O)CO	0.976	1.0	0.056	0.999	0.648	0.934	0.078	0.227	0.287	0.224	0.072
Compound_722	CC(=O)OC(c1ccccc1)C1CCCC[NH2+]1	0.045	0.304	0.249	0.37	0.014	0.007	0.0	0.75	0.217	0.014	0.02
Compound_723	CCN(c1ccc(cc1)N=Nc1[nH]cnn1)CC	0.516	0.633	0.912	0.41	0.154	0.687	0.002	0.699	0.878	0.445	0.404
Compound_724	C=Cc1ccccc1S(=O)(=O)O	0.901	0.475	0.422	0.329	0.538	0.425	0.994	0.165	0.38	0.914	0.064
Compound_725	Clc1ccc(cc1)Oc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1)Oc1ccc(cc1)Cl	0.797	0.632	0.947	0.698	0.938	0.785	0.979	0.973	0.482	0.949	1.005
Compound_726	Cc1ccccc1O[Si](Oc1ccccc1C)(Oc1ccccc1C)Oc1ccccc1C	0.565	0.591	0.808	0.611	0.929	0.747	0.986	0.727	0.693	0.991	0.84
Compound_727	CCCC[Sn](OC(=O)C(CCCC)CC)(OC(=O)C(CCCC)CC)OC(=O)C(CCCC)CC	0.779	0.059	0.174	0.549	0.825	0.831	0.984	0.949	0.188	0.89	0.759
Compound_728	CCOC(=O)c1cnc2c(c1O)cccc2C(F)(F)F	0.488	0.48	0.977	0.653	0.456	0.341	0.976	0.812	0.173	0.043	0.965
Compound_729	C=CC1=NC(CC(O1)C)(C)C	0.75	0.27	0.117	0.636	0.313	0.471	0.875	0.993	0.587	0.267	0.286
Compound_730	CCCCCCCCCCCCCCCCCCCCCCN(=O)(C)C	0.938	0.509	0.049	0.61	0.067	0.864	0.981	0.9	0.914	0.15	0.5
Compound_731	CC(=O)SC1=C(C)OCC1	0.67	0.367	0.134	0.506	0.181	0.072	0.958	0.724	0.305	0.969	0.961
Compound_732	CCCCC(COC(=O)NCCCCCCN=C=O)CC	0.143	0.134	0.317	0.401	0.028	0.243	0.025	0.111	0.518	0.261	0.197
Compound_733	CCCCCCCCCCCC(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12	0.978	1.0	0.212	0.807	0.947	0.908	0.037	0.922	0.191	0.999	0.371
Compound_734	C=CC[Sn](CCCC)(CCCC)CCCC	0.923	0.486	0.349	0.711	0.956	0.913	0.989	0.985	0.472	1.0	0.687
Compound_735	Clc1cccc(c1)N1N=C(C(C1=O)N=Nc1cc(ccc1O)S(=O)(=O)C)C	0.438	0.552	0.924	0.681	0.552	0.65	0.248	0.387	0.408	0.82	0.306
Compound_736	COc1ccc(cc1)C(=O)OCC(C)C	0.417	0.141	0.908	0.723	0.61	0.667	0.892	0.003	0.591	0.442	0.076
Compound_737	COc1ccc(cc1)C(=O)OCCC(C)C	0.54	0.221	0.992	0.747	0.61	0.667	0.892	0.03	0.206	0.149	0.092
Compound_738	Brc1cc(c(c(c1Br)Br)Br)c1c(Br)c(Br)c(c(c1Br)Br)Br	0.983	0.38	0.992	0.755	0.604	0.315	0.996	0.957	0.897	0.996	0.835
Compound_739	CC1SC(=C(C1=O)O)C	0.572	0.46	0.076	0.434	0.109	0.059	0.824	0.136	0.403	0.935	0.343
Compound_740	NN1CCS(=O)(=O)CC1C	0.068	0.412	0.112	0.504	0.09	0.144	0.008	0.853	0.338	0.027	0.183
Compound_741	CCOc1ccc2c(c1)ccc([n+]2C)C=Cc1cccc(c1)N(=O)=O	0.837	0.799	0.807	0.778	0.959	0.967	0.697	0.906	0.739	0.923	0.959
Compound_742	COc1ccccc1OC(=O)c1ccccc1OC(=O)c1cccnc1	0.393	0.674	0.813	0.518	0.195	0.168	0.622	0.012	0.373	0.007	0.66
Compound_743	CCCC[Sn](OC(=O)CCCCCCCC)(OC(=O)CCCCCCCC)CCCC	0.86	0.039	0.202	0.538	0.861	0.877	0.996	0.954	0.107	0.956	0.74
Compound_744	COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)[O-])C)S(=O)(=O)[O-]	0.751	0.585	0.929	0.549	0.785	0.705	0.847	0.901	0.435	0.704	0.15
Compound_745	Oc1ccccc1CCC(c1ccccc1O)c1ccccc1O	0.64	0.591	0.535	0.619	0.98	0.941	0.988	0.889	0.511	0.758	0.299
Compound_746	CCCCCCCC(CCCC(=O)OCC(CO)O)O	0.803	0.281	0.047	0.673	0.224	0.045	0.228	0.064	0.035	0.912	0.058
Compound_747	CCCCCCCCCC(C(C(Br)(Br)Br)(Br)Br)Br	0.993	0.121	0.694	0.734	0.329	0.425	0.996	0.909	0.951	1.0	0.926
Compound_748	N#CC1CCc2c1cccc2	0.59	0.393	0.496	0.491	0.48	0.181	0.825	0.677	0.612	0.991	0.945
Compound_749	BrC(C(=O)Br)C(C)C	0.889	0.099	0.426	0.65	0.618	0.086	0.983	0.998	0.696	0.997	0.938
Compound_750	CCCCOC(=O)C=CC(=O)OCCO	0.921	0.113	0.072	0.782	0.827	0.72	0.794	0.947	0.65	0.951	0.601
Compound_751	Cl[SiH]([Si](Cl)(Cl)Cl)Cl	0.952	0.171	0.433	0.583	0.831	0.571	0.892	0.883	0.978	1.0	0.727
Compound_752	CC(C#C)Cl	0.948	0.203	0.523	0.593	0.158	0.155	0.999	0.991	0.729	0.999	0.757
Compound_753	CCC=C1OC(=O)C=C1	0.747	0.214	0.199	0.599	0.415	0.248	0.973	0.997	0.975	0.996	0.521
Compound_754	CCOC(=O)OC1CCC2(C(C1)CC(=O)C1C2CC(=O)C2(C1CCC2C(CCC(=O)OC)C)C)C	0.871	0.774	0.066	0.549	0.122	0.465	0.085	0.853	0.365	0.98	0.435
Compound_755	CCCCCCC(CC)(O)C	0.919	0.099	0.061	0.57	0.082	0.027	0.814	0.689	0.442	0.98	0.724
Compound_756	Cc1nn2c(c1)[nH]c1c2cccc1	0.333	0.558	0.816	0.429	0.487	0.717	0.651	0.572	0.48	0.366	0.527
Compound_757	Clc1cccc(n1)SCCN1CCOCC1	0.161	0.358	0.065	0.197	0.476	0.57	0.397	0.182	0.236	0.916	0.356
Compound_758	N#CC(=CN1C(C)Cc2c1cccc2)C(=O)OC	0.408	0.537	0.247	0.472	0.622	0.106	0.121	0.987	0.581	0.077	0.748
Compound_759	CC1=CCC(CC1)C1(C)CCC(C(O1)(C)C)O	0.939	0.733	0.053	0.481	0.419	0.192	0.302	0.554	0.497	0.916	0.818
Compound_760	SCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CS)O)(C)C)O	0.307	0.506	0.064	0.504	0.837	0.953	0.896	0.016	0.485	0.484	0.402
Compound_761	CCCCCCCCCC(CCCC)O	0.928	0.036	0.059	0.567	0.067	0.044	0.92	0.622	0.586	0.972	0.523
Compound_762	CCCCCCCCCCCC(CCCC)O	0.928	0.036	0.059	0.567	0.091	0.159	0.983	0.622	0.586	0.972	0.523
Compound_763	COC(=O)C1OC(Br)C(C(C1OC(=O)C)OC(=O)C)OC(=O)C	0.799	0.283	0.332	0.631	0.288	0.146	0.942	0.997	0.263	0.043	0.5
Compound_764	COc1ccc2c(c1)c(CC(=O)Cl)c(n2C(=O)c1ccc(cc1)Cl)C	0.193	0.758	0.948	0.58	0.849	0.683	0.995	0.17	0.415	0.229	0.896
Compound_765	COc1ccc(c(c1OC)CO)C(C1N(C)CCc2c1c(OC)c1c(c2)OCO1)O	0.354	0.642	0.705	0.165	0.162	0.434	0.001	0.012	0.176	0.1	0.809
Compound_766	Oc1ncc(c(n1)O)C(=O)O	0.434	0.14	0.55	0.342	0.395	0.533	0.03	0.404	0.758	0.034	0.146
Compound_767	CC(=O)OCC(=O)C1(O)C(C)CC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C(=CC12C)Cl)F)F	0.968	1.0	0.396	0.956	0.896	0.896	0.614	0.02	0.172	0.182	0.054
Compound_768	c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1cccc2c1cccc2	0.459	0.555	0.903	0.619	0.973	0.877	0.996	0.957	0.723	0.998	0.879
Compound_769	CCOC(=O)C1OC1(C)CCCC(CCC=C(C)C)C	0.975	0.409	0.272	0.696	0.57	0.068	0.982	0.994	0.112	0.996	0.896
Compound_770	OCC(C(C(C(C=O)O)O)O)S	0.124	0.243	0.046	0.358	0.129	0.62	0.02	0.012	0.401	0.07	0.129
Compound_771	CCCCCCC(OC(=O)CCl)C	0.962	0.035	0.072	0.716	0.34	0.044	0.999	0.907	0.861	0.999	0.969
Compound_772	CCCCCCCCCCCCS(=O)CCO	0.74	0.103	0.127	0.57	0.252	0.114	0.95	0.284	0.415	0.97	0.363
Compound_773	CCOC(=O)C1CC1C=O	0.584	0.196	0.356	0.589	0.075	0.196	0.989	0.479	0.455	0.973	0.915
Compound_774	O=C1C=CC2(C(=C1)CCC1C2C(O)CC2(C1CCC2(O)C(=O)C)C)C	0.952	1.0	0.037	0.97	0.743	0.933	0.009	0.363	0.109	0.567	0.122
Compound_775	CCC(=O)OC1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)C(=O)C	0.951	1.0	0.238	0.986	0.666	0.948	0.091	0.988	0.273	0.766	0.154
Compound_776	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCCCCC	0.937	0.009	0.414	0.726	0.566	0.132	0.999	0.969	0.416	1.0	0.942
Compound_777	CCCCCCC(NCCO)C	0.049	0.099	0.008	0.199	0.023	0.058	0.0	0.063	0.214	0.717	0.061
Compound_778	NCCCCN(C(=N)N)CC=C(C)C	0.05	0.233	0.071	0.421	0.029	0.479	0.0	0.276	0.282	0.032	0.116
Compound_779	ClC(CCl)COC(=O)C=C	0.977	0.124	0.76	0.792	0.803	0.613	1.0	1.0	0.954	0.999	0.964
Compound_780	COc1ccc2c(c1)[nH]nn2	0.459	0.629	0.786	0.628	0.559	0.612	0.91	0.041	0.912	0.672	0.827
Compound_781	CCCCCCC(=O)OCC(COC(=O)CCCCCC)(C)C	0.859	0.0	0.325	0.714	0.062	0.083	0.985	0.772	0.188	0.956	0.899
Compound_782	CCOc1nc(OCC2OC2)nc(n1)OCC1OC1	0.666	0.406	0.246	0.559	0.797	0.223	0.472	0.512	0.693	0.724	0.772
Compound_783	CCCCCCCCCCCCCCCCCC(O)C	0.928	0.036	0.059	0.562	0.091	0.159	0.983	0.525	0.36	0.972	0.523
Compound_784	CCCCCCCCCCCCCCCC(=O)OC1C(OC(=O)CCCCCCCCCCCCCCC)C(OC(C1OC(=O)CCCCCCCCCCCCCCC)CO)OC1(CO)OC(C(C1OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)CO	0.609	0.567	0.017	0.562	0.61	0.482	0.904	0.335	0.215	0.575	0.906
Compound_785	CCCCCCCCCCCCCC(=O)OC1C(OC(=O)CCCCCCCCCCCCC)C(OC(C1O)CO)OC1(CO)OC(C(C1OC(=O)CCCCCCCCCCCCC)O)CO	0.609	0.587	0.017	0.571	0.2	0.282	0.904	0.176	0.207	0.545	0.818
Compound_786	BrC1(Br)CCCCCCC1(Br)Br	0.99	0.216	0.612	0.65	0.331	0.455	0.998	0.689	0.69	1.0	0.534
Compound_787	COCCOCCOCCOCCOCCOCCOCCOCCOC	0.774	0.042	0.368	0.513	0.189	0.514	0.982	0.299	0.746	0.974	0.785
Compound_788	Oc1ccc(cc1)N=Nc1ccc(c(c1)C)N=Nc1ccc(cc1)OCCOS(=O)(=O)[O-]	0.702	0.677	0.899	0.661	0.941	0.98	0.906	0.935	0.204	0.435	0.353
Compound_789	O=C(Nc1c(F)c(F)c(c(c1F)F)F)Nc1c(F)c(F)c(c(c1F)F)F	0.821	0.621	0.539	0.533	0.774	0.432	0.689	0.831	0.511	0.935	0.82
Compound_790	OCC1OC(Oc2cc(OC3OC(C)C(C(C3O)O)O)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)C(C(C1O)O)O	0.536	0.468	0.382	0.665	0.935	0.962	0.97	0.625	0.696	0.03	0.818
Compound_791	COc1cccc(c1)C(C(=O)O)O	0.03	0.096	0.106	0.346	0.216	0.008	0.2	0.057	0.069	0.166	0.074
Compound_792	CCC(c1cccc(c1N)C(CC)C)C	0.436	0.314	0.59	0.558	0.104	0.1	0.415	0.284	0.748	0.905	0.326
Compound_793	CCCCN1C(=O)C(=CC=Cc2c(C)c(C#N)c(=O)n(c2O)CCCC)C(=C(C1=O)C#N)C	0.602	0.488	0.408	0.559	0.442	0.676	0.487	0.94	0.475	0.25	0.633
Compound_794	COC(=O)CCN(c1ccc(c(c1)C)C=C(C#N)C#N)CCc1ccccc1	0.34	0.6	0.143	0.589	0.815	0.205	0.75	0.98	0.478	0.314	0.829
Compound_795	CC(C(c1ccccc1)(O)C)N	0.011	0.152	0.15	0.385	0.007	0.029	0.001	0.013	0.203	0.003	0.278
Compound_796	CCN=C=NCCC[N+](C)(C)C	0.152	0.686	0.039	0.55	0.032	0.057	0.004	0.186	0.126	0.099	0.183
Compound_797	NCCNCCC#N	0.032	0.088	0.012	0.323	0.067	0.012	0.0	0.171	0.32	0.094	0.422
Compound_798	CN([Si](c1ccccc1)(N(C)C)Cl)C	0.713	0.306	0.772	0.726	0.079	0.287	0.615	0.968	0.876	0.61	0.434
Compound_799	OCC1OC(C(C1O)O)n1c(=S)[nH]c2c1nc(N)[nH]c2=O	0.632	0.404	0.056	0.339	0.074	0.44	0.01	0.382	0.169	0.03	0.761
Compound_800	CN(Cc1cccs1)C	0.56	0.36	0.064	0.189	0.076	0.578	0.272	0.868	0.64	0.795	0.234
Compound_801	CCCCN(c1ccc(cc1)N=Nc1sc2c([n+]1C)ccc(c2)OC)CCC#N	0.832	0.717	0.806	0.677	0.5	0.825	0.012	0.775	0.759	0.965	0.649
Compound_802	OC(=O)C(c1cccs1)N	0.054	0.375	0.098	0.238	0.097	0.262	0.009	0.035	0.477	0.005	0.224
Compound_803	O=C=Nc1c(cccc1Cc1ccccc1N=C=O)Cc1ccccc1N=C=O	0.535	0.651	0.926	0.622	0.937	0.981	1.0	0.662	0.806	0.983	0.884
Compound_804	CCO[Si](OCC)(OCC)CCCOC(=O)C(=C)C	0.973	0.126	0.242	0.672	0.476	0.142	0.991	0.938	0.87	1.0	0.814
Compound_805	Clc1cc(c(c(c1Cl)Cl)Cl)c1cc(Cl)c(c(c1Cl)Cl)Cl	0.984	0.389	0.992	0.755	0.767	0.766	0.995	0.957	0.976	0.995	0.816
Compound_806	OCCOc1cc(OCCO)cc2c1c(=O)c(c(o2)C)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O	0.686	0.464	0.171	0.404	0.688	0.546	0.74	0.08	0.478	0.685	0.321
Compound_807	CCOC(=O)C(C(=O)C)CCN(CC)CC	0.206	0.137	0.169	0.259	0.064	0.126	0.007	0.124	0.313	0.744	0.539
Compound_808	OC(=O)CCC(C(=O)Nc1ccc(cc1)N(=O)=O)N	0.415	0.212	0.341	0.352	0.059	0.37	0.003	0.323	0.217	0.203	0.084
Compound_809	CC(=O)NCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(cc1)Cl	0.462	0.539	0.276	0.325	0.547	0.584	0.923	0.069	0.402	0.014	0.227
Compound_810	CCOC(=O)C1C(CC(=O)C=C1C)C(C)C	0.941	0.452	0.609	0.751	0.015	0.014	0.635	0.991	0.275	0.955	0.924
Compound_811	CCCNCCCCNCCC	0.038	0.03	0.034	0.349	0.017	0.006	0.0	0.034	0.49	0.873	0.196
Compound_812	CCCC(CC(=O)OC)O	0.535	0.064	0.05	0.569	0.038	0.012	0.326	0.944	0.353	0.194	0.262
Compound_813	C=CS(=O)c1ccccc1	0.822	0.417	0.892	0.718	0.109	0.329	0.987	0.986	0.718	1.0	0.5
Compound_814	O=C(C(C)(C)C)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1	0.925	0.485	0.657	0.512	0.997	0.989	0.999	0.929	0.315	0.969	0.702
Compound_815	CCOC(=O)C1SCCS1	0.67	0.377	0.358	0.648	0.473	0.277	0.989	0.459	0.669	0.856	0.801
Compound_816	OCCCOc1ccc(cc1)C(c1ccc(cc1)OCCCO)(C)C	0.487	0.589	0.409	0.623	0.863	0.978	0.836	0.33	0.143	0.218	0.303
Compound_817	Clc1ccc(cc1)C=C1OC(=O)c2c1cccc2	0.832	0.541	0.85	0.683	0.756	0.792	0.994	0.446	0.532	0.995	0.954
Compound_818	CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)O	0.531	0.457	0.717	0.423	0.515	0.593	0.914	0.759	0.449	0.95	0.166
Compound_819	O=C(OC(C)(C)C)NC(C(=O)O)CSSC(C)(C)C	0.057	0.135	0.033	0.27	0.314	0.064	0.007	0.286	0.274	0.087	0.338
Compound_820	N#CC(=CNc1ccccc1)Cc1ccc(c(c1)OC)OC	0.549	0.559	0.83	0.491	0.583	0.639	0.01	0.824	0.393	0.226	0.893
Compound_821	CCC1(C)CO1	0.821	0.184	0.196	0.505	0.111	0.045	0.903	0.608	0.398	0.997	0.957
Compound_822	O=C(OCc1ccccc1)NCCCCC(C(=O)Oc1ccc(cc1)N(=O)=O)NC(=O)OCc1ccccc1	0.546	0.547	0.673	0.429	0.966	0.924	0.652	0.966	0.345	0.631	0.299
Compound_823	CCCC(OC(=O)C)CC(=O)OCC	0.821	0.032	0.239	0.664	0.082	0.024	0.966	0.319	0.3	0.53	0.871
Compound_824	COC(C(F)(F)F)(c1ccccc1)C(=O)O	0.146	0.197	0.092	0.326	0.109	0.037	0.622	0.469	0.096	0.068	0.43
Compound_825	CCSC(C(=O)OCC)SCC	0.621	0.088	0.358	0.628	0.564	0.293	0.985	0.601	0.518	0.997	0.913
Compound_826	CCOC(=O)C1SCCCS1	0.55	0.316	0.231	0.633	0.519	0.303	0.993	0.672	0.6	0.954	0.402
Compound_827	O=C(c1ccccc1)NC(c1ccccc1)CCN1CCCCC1	0.485	0.401	0.03	0.115	0.01	0.868	0.043	0.013	0.415	0.743	0.031
Compound_828	CC12OC(CN2CCO1)C	0.042	0.372	0.021	0.112	0.061	0.053	0.037	0.412	0.333	0.277	0.529
Compound_829	O=Cc1ccc(cc1)C=CC(=O)O	0.9	0.174	0.094	0.372	0.142	0.72	0.998	0.582	0.826	0.201	0.363
Compound_830	CCC(=Cc1oc2c([n+]1CCCCS(=O)(=O)[O-])cc(cc2)c1ccccc1)C=c1oc2c(n1CCCCS(=O)(=O)[O-])cc(cc2)c1ccccc1	0.63	0.637	0.311	0.609	0.697	0.667	0.99	0.984	0.262	0.685	0.533
Compound_831	O=COC1CC2(C(C1C1=CC(=O)OC1)(C)CCC1C2CCC2C1(C)CCC(C2)OC1OC(C)C2C(C1)OC(O2)(C)C)O	0.94	0.99	0.01	0.719	0.955	0.729	0.984	0.993	0.402	0.224	0.976
Compound_832	CCOCCN(c1ccc(cc1)C=CC1=[N+](C)c2c(C1(C)C)cccc2)CC	0.598	0.75	0.696	0.698	0.711	0.753	0.759	0.958	0.498	0.063	0.669
Compound_833	CCC(OC(=O)C(C)C)C	0.761	0.023	0.102	0.506	0.1	0.014	0.927	0.294	0.22	0.893	0.744
Compound_834	Fc1nc(Nc2ccc(c(c2)N)S(=O)(=O)O)c(c(n1)F)Cl	0.599	0.398	0.999	0.447	0.779	0.588	0.131	0.497	0.444	0.08	0.368
Compound_835	CCC(OP(=O)(OC(CC)(Cl)Cl)OC(CC)(Cl)Cl)(Cl)Cl	0.853	0.245	0.691	0.652	0.401	0.543	0.998	0.997	0.282	0.938	0.728
Compound_836	CCCCCCCCCCCCC(CS)O	0.724	0.206	0.05	0.548	0.145	0.244	0.934	0.035	0.76	0.781	0.446
Compound_837	COc1cc(N=Nc2c(O)ccc3c2cc(cc3)S(=O)(=O)O)c(cc1N=Nc1c(O)c2cccc(c2cc1S(=O)(=O)O)NC(=O)c1ccc(cc1)S(=O)(=O)O)OC	0.645	0.495	0.99	0.607	0.817	0.672	0.972	0.525	0.43	0.415	0.257
Compound_838	CC=CCc1ccc(nc1)C	0.266	0.301	0.831	0.572	0.028	0.406	0.001	0.808	0.193	0.221	0.225
Compound_839	CCCCCCCCCCCCC(CC(=O)[O-])(CCCCCCCCCCCC)[NH3+]	0.18	0.087	0.02	0.34	0.013	0.039	0.552	0.302	0.283	0.178	0.345
Compound_840	CC(CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C)C	0.921	0.035	0.569	0.533	0.113	0.041	0.999	0.575	0.141	0.996	0.618
Compound_841	O=C(CC(=O)Nc1ccc(cc1)NC(=O)C)CN=Nc1cc(ccc1Cl)C(=O)N	0.658	0.54	0.718	0.578	0.425	0.765	0.611	0.134	0.48	0.747	0.455
Compound_842	ON=C1C(=NN)C(OC1(C)C)(C)C	0.599	0.253	0.149	0.518	0.095	0.371	0.505	0.516	0.442	0.194	0.851
Compound_843	CCC(c1ccc(cc1)N)C	0.78	0.215	0.539	0.507	0.188	0.582	0.981	0.762	0.859	0.953	0.378
Compound_844	O=C1CC(C(=O)N1c1ccc(cc1Cl)S(=O)(=O)N)c1ccccc1	0.302	0.455	0.012	0.277	0.696	0.647	0.398	0.017	0.322	0.239	0.314
Compound_845	CC1CC2CCCCC2=CC1=O	0.998	0.693	0.935	0.651	0.266	0.125	0.126	0.832	0.494	1.0	0.431
Compound_846	CCCCCCCCCc1ccccc1OP(=O)Oc1ccccc1CCCCCCCCC	0.697	0.607	0.643	0.646	0.485	0.151	0.813	0.991	0.955	0.997	0.682
Compound_847	Clc1ccccc1[Si](Cl)(Cl)Cl	0.933	0.339	0.617	0.655	0.378	0.478	0.998	0.965	0.976	1.0	0.54
Compound_848	Clc1ccc(cc1)S(=O)(=O)C(C(Cl)F)(F)F	0.743	0.41	0.925	0.676	0.65	0.761	0.972	0.907	0.362	0.989	0.368
Compound_849	CCCCCCCCc1ccccc1Nc1ccccc1CCCCCCCC	0.568	0.342	0.623	0.382	0.625	0.837	0.99	0.791	0.952	0.91	0.491
Compound_850	CN(C(=O)Nc1cccc(c1C)NC(=O)N(C)C)C	0.615	0.317	0.833	0.483	0.245	0.175	0.01	0.32	0.686	0.023	0.136
Compound_851	CCC(OP(OC(CC)(Cl)Cl)OC(CC)(Cl)Cl)(Cl)Cl	0.855	0.23	0.39	0.636	0.469	0.489	0.999	0.993	0.295	0.929	0.763
Compound_852	CCCCCCCCCc1ccc(cc1)OCCCS(=O)(=O)[O-]	0.655	0.381	0.524	0.553	0.176	0.883	0.931	0.986	0.357	0.996	0.307
Compound_853	C=CCNC(=O)C(C(C(=O)NCC=C)O)O	0.014	0.15	0.028	0.361	0.187	0.036	0.001	0.966	0.164	0.112	0.539
Compound_854	CCCCCCCC[Sn](OC(=O)C=CC(=O)OCC(C)C)(OC(=O)C=CC(=O)OCC(C)C)CCCCCCCC	0.861	0.071	0.1	0.754	0.996	0.995	1.0	0.994	0.74	0.999	0.73
Compound_855	CN([Si](Cl)(Cl)C)C	0.519	0.18	0.65	0.642	0.305	0.233	0.243	0.989	0.86	0.907	0.627
Compound_856	C[Si]([Si](Cl)(Cl)Cl)(C)C	0.846	0.266	0.428	0.632	0.381	0.537	0.958	0.936	0.941	0.993	0.55
Compound_857	COc1cc(N=Nc2cccc(c2)S(=O)(=O)[O-])ccc1N=Nc1ccc(c(c1)C)O	0.713	0.484	0.975	0.56	0.672	0.669	0.521	0.744	0.4	0.419	0.119
Compound_858	CN([Si](N(C)C)(N(C)C)Cl)C	0.52	0.207	0.632	0.642	0.188	0.063	0.395	0.994	0.86	0.828	0.577
Compound_859	CC(C1CC2CC1C=C2)O	0.952	0.337	0.05	0.488	0.611	0.06	0.873	0.814	0.217	0.595	0.27
Compound_860	Cc1ccc2c(n1)[nH]cc(c2=O)C(=O)O	0.347	0.683	0.317	0.313	0.361	0.704	0.019	0.305	0.583	0.005	0.196
Compound_861	CC(=O)OCC(C1CCC(=CC1)C)C	0.944	0.244	0.172	0.655	0.314	0.029	0.793	0.946	0.821	0.999	0.692
Compound_862	CCN(c1ccc(cc1)N=Nc1snc(n1)c1ccccc1)CC[n+]1ccccc1	0.478	0.638	0.992	0.746	0.353	0.889	0.928	0.992	0.865	0.168	0.221
Compound_863	CC1=NN(C(=O)C1=Cc1ccc(cc1)N(C)C)c1cc(ccc1S(=O)(=O)c1ccc(c(c1)C(=O)[O-])O)S(=O)(=O)[O-]	0.547	0.594	0.714	0.536	0.665	0.623	0.915	0.809	0.403	0.966	0.305
Compound_864	CCOC(=O)CC(C(=O)O)(CC(=O)O)O	0.175	0.111	0.089	0.287	0.129	0.1	0.588	0.302	0.447	0.031	0.408
Compound_865	CC(CC(Br)C)C	0.906	0.102	0.816	0.636	0.173	0.02	0.986	0.975	0.759	0.999	0.8
Compound_866	OCC1OC(N(C1)C(C)(C)C)c1ccccc1	0.015	0.389	0.148	0.202	0.005	0.121	0.003	0.034	0.224	0.02	0.127
Compound_867	Brc1ccsc1C	0.887	0.522	0.596	0.548	0.376	0.524	1.0	0.932	0.981	0.999	0.431
Compound_868	CCOC(=O)CC(c1ccco1)O	0.392	0.191	0.163	0.524	0.049	0.058	0.136	0.39	0.24	0.619	0.44
Compound_869	CCCCC(=CC)C=O	0.927	0.081	0.773	0.645	0.095	0.156	0.996	0.971	0.828	0.999	0.978
Compound_870	CCCCCCCCP(CP(=O)(CCCCCCCC)CCCCCCCC)CCCCCCCC	0.835	0.423	0.302	0.597	0.894	0.492	1.0	0.777	0.985	1.0	0.831
Compound_871	O=C1C(N)C2N1C(=C(CS2)CSc1nnnn1C)C(=O)O	0.065	0.275	0.049	0.108	0.186	0.186	0.001	0.378	0.031	0.024	0.202
Compound_872	NC1C2SCC(=C(N2C1=O)C(=O)O)CSc1nncs1	0.139	0.228	0.087	0.173	0.625	0.391	0.009	0.099	0.098	0.008	0.145
Compound_873	Oc1ccc(cc1)C1CC(=O)c2c(O1)c(C)c(c(c2O)C)O	0.514	0.802	0.497	0.56	0.962	0.978	0.905	0.449	0.46	0.171	0.416
Compound_874	CCOC(=O)C1OC1(C)CC(C)C	0.836	0.137	0.267	0.615	0.22	0.066	0.847	0.892	0.11	0.668	0.604
Compound_875	CCCC(=O)N1CCCC1C(=O)O	0.057	0.356	0.057	0.198	0.042	0.017	0.117	0.069	0.134	0.096	0.052
Compound_876	COc1ccccc1n1[nH]nnc1=S	0.422	0.475	0.089	0.396	0.035	0.454	0.034	0.009	0.768	0.915	0.456
Compound_877	[SiH3]C(=C(OOC(C)(C)C)OOC(C)(C)C)OOC(C)(C)C	0.542	0.194	0.03	0.518	0.141	0.283	0.928	0.785	0.825	0.979	0.74
Compound_878	O=C1Cc2ccccc2C2(N1)CCN(CC2)Cc1ccccc1	0.27	0.639	0.11	0.113	0.002	0.319	0.027	0.042	0.563	0.179	0.261
Compound_879	NCc1c(F)cccc1Cl	0.828	0.142	0.567	0.529	0.072	0.093	0.056	0.377	0.676	0.481	0.115
Compound_880	CCCCCCNC(=O)CC(=O)C	0.095	0.077	0.082	0.286	0.013	0.06	0.001	0.078	0.453	0.29	0.2
Compound_881	CCCOC(=O)CN	0.132	0.059	0.078	0.498	0.04	0.002	0.001	0.002	0.282	0.253	0.18
Compound_882	C=CC1OC1C=C	0.951	0.276	0.605	0.63	0.655	0.172	0.993	0.997	0.706	0.999	0.895
Compound_883	CC(=CC=CC(=CC(=O)OC(=O)C(C)(C)C)C)C=CC1=C(C)CCCC1(C)C	0.969	0.305	0.951	0.686	0.842	0.937	0.999	0.999	0.602	0.992	0.736
Compound_884	C#CC[S+](C)C	0.696	0.16	0.75	0.461	0.103	0.09	0.996	0.586	0.638	0.99	0.799
Compound_885	CSCC(CCl)O	0.624	0.179	0.062	0.56	0.122	0.059	0.988	0.936	0.583	0.345	0.906
Compound_886	CCCCCCCCCCCCCCCCCc1n[nH]c(=S)n1NC(=O)Nc1cccc(c1)S(=O)(=O)F	0.553	0.372	0.461	0.602	0.358	0.618	0.224	0.922	0.503	0.08	0.532
Compound_887	O=C(c1cccnc1Nc1cccc(c1)C(F)(F)F)OCCN1CCOCC1	0.159	0.635	0.276	0.174	0.258	0.534	0.997	0.87	0.269	0.244	0.594
Compound_888	CCCCC(COC(=O)CCC)CC	0.825	0.012	0.147	0.692	0.067	0.017	0.988	0.357	0.397	0.997	0.905
Compound_889	CCC(C(=O)C1=C(O)C(C(C1=O)CC=C(C)C)(O)C(=O)CC=C(C)C)C	0.901	0.509	0.125	0.492	0.724	0.516	0.908	0.891	0.321	0.74	0.875
Compound_890	Clc1ccc(c(c1Cl)Cl)c1cccc(c1Cl)Cl	0.989	0.389	0.987	0.758	0.776	0.595	0.991	0.732	0.936	0.995	0.816
Compound_891	O=C(C(Cl)(Cl)Cl)O[Si](C)(C)C	0.937	0.105	0.24	0.705	0.11	0.235	0.984	0.992	0.328	0.961	0.62
Compound_892	O=C=NCCCCCCN1C(=O)N(C1=O)CCCCCCN=C=O	0.74	0.242	0.404	0.451	0.294	0.612	0.785	0.485	0.641	0.798	0.641
Compound_893	Clc1ccc2c(c1)S(=O)(=O)N(C)c1c(C2=O)cccc1	0.542	0.575	0.91	0.702	0.727	0.645	0.583	0.577	0.303	0.817	0.487
Compound_894	CC1CCC(C(C1)Cl)C(C)C	1.0	0.155	0.355	0.596	0.584	0.241	0.974	0.977	0.566	0.991	0.12
Compound_895	CN(C(P(=O)(O)O)P(=O)(O)O)C	0.24	0.103	0.003	0.072	0.396	0.168	0.022	0.013	0.446	0.069	0.249
Compound_896	NCCc1c2ccccc2n(c1c1ccccc1)c1ccccc1	0.238	0.462	0.072	0.646	0.867	0.943	0.977	0.2	0.239	0.058	0.51
Compound_897	OCC1OC(SC(=NOS(=O)(=O)O)C)C(C(C1O)O)O	0.455	0.463	0.002	0.216	0.468	0.464	0.076	0.092	0.387	0.224	0.398
Compound_898	CCCCCCCCCCCCCCCCCCCCCO	0.928	0.03	0.113	0.556	0.093	0.229	0.987	0.494	0.204	0.901	0.571
Compound_899	O=C(c1cccnc1)OC(C(C(OC(=O)c1cccnc1)COC(=O)c1cccnc1)OC(=O)c1cccnc1)C(OC(=O)c1cccnc1)COC(=O)c1cccnc1	0.315	0.665	0.902	0.575	0.717	0.652	0.802	0.004	0.12	0.227	0.963
Compound_900	O=C(N1CN(CN(C1)C(=O)CCOCC1OC1)C(=O)CCOCC1OC1)CCOCC1OC1	0.126	0.503	0.197	0.586	0.906	0.321	0.538	0.534	0.504	0.867	0.521
Compound_901	CC(N1CC1)CC(=O)OCCOc1ccc(cc1)C(c1ccc(cc1)OCCOC(=O)CC(N1CC1)C)(C)C	0.077	0.761	0.32	0.353	0.937	0.744	0.059	0.853	0.321	0.802	0.632
Compound_902	OCNc1nc(nc(n1)N(CO)CO)N(CO)CO	0.64	0.29	0.17	0.349	0.163	0.073	0.001	0.139	0.765	0.024	0.355
Compound_903	CCCCCCC(=O)CC(=O)C	0.981	0.021	0.255	0.548	0.078	0.096	0.995	0.604	0.564	0.989	0.956
Compound_904	CCCC[Sn](OC(=O)C=C)(CCCC)CCCC	0.917	0.089	0.092	0.695	0.986	0.949	0.999	1.0	0.954	1.0	0.686
Compound_905	CC(CCCCCOC(=O)CS[Sn](SCC(=O)OCCCCCC(C)C)(C)C)C	0.731	0.068	0.497	0.646	0.932	0.95	0.992	0.914	0.535	0.939	0.704
Compound_906	COC(=O)CC1CCC(=O)C1CCC(C)C	0.881	0.301	0.576	0.471	0.006	0.017	0.636	0.825	0.306	0.914	0.588
Compound_907	CC(OP(=O)(OC(Cl)C)OC(Cl)C)Cl	0.948	0.238	0.616	0.649	0.197	0.06	0.978	0.999	0.532	0.972	0.777
Compound_908	CCCCCCCCCCCCCc1ccccc1C[N+](C)(C)C	0.505	0.546	0.179	0.525	0.015	0.585	0.101	0.713	0.621	0.189	0.116
Compound_909	CCCCCCCCCCCCCCC(CN(=O)(CCO)CCO)O	0.581	0.272	0.035	0.542	0.068	0.499	0.139	0.597	0.824	0.021	0.346
Compound_910	CC(CCCCCCP(=O)(Oc1ccccc1)Oc1ccccc1)C	0.906	0.602	0.884	0.643	0.87	0.359	0.948	0.524	0.386	0.936	0.598
Compound_911	COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC	0.56	0.645	0.787	0.434	0.258	0.58	0.234	0.047	0.823	0.003	0.087
Compound_912	CC1CCCc2c1cccc2C	0.837	0.404	0.372	0.523	0.132	0.082	0.305	0.371	0.75	0.986	0.696
Compound_913	CC1=NN(C(=O)C1=Cc1ccc(cc1)N(C)C)c1ccccc1	0.619	0.696	0.961	0.56	0.261	0.775	0.864	0.862	0.399	0.926	0.354
Compound_914	CCCCCCCCNCCC(=O)O	0.053	0.093	0.03	0.152	0.044	0.013	0.0	0.025	0.377	0.045	0.087
Compound_915	CCNc1ccc(cc1N(=O)=O)C(F)(F)F	0.871	0.414	0.891	0.538	0.754	0.086	0.522	0.783	0.498	0.052	0.853
Compound_916	CCCCOP(=O)(OP(=O)(OCCCC)O)O	0.797	0.052	0.036	0.388	0.093	0.214	0.939	0.006	0.555	0.306	0.296
Compound_917	CCCCOC(=O)c1ccc(cc1C(=O)O)C(=O)O	0.65	0.13	0.698	0.459	0.078	0.168	0.96	0.253	0.545	0.096	0.646
Compound_918	CCCCCCCCCCCC(=O)OCC(C1OCC(C1O)O)OC(=O)CCCCCCCCCCC	0.844	0.486	0.041	0.745	0.188	0.134	0.903	0.308	0.214	0.86	0.258
Compound_919	Nc1ccc(cc1)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)[O-]	0.885	0.307	0.922	0.648	0.825	0.737	0.896	0.995	0.519	0.174	0.772
Compound_920	OC1=CC=C(C2C1C(=O)c1c(C2=O)c(O)ccc1O)O	0.612	0.656	0.449	0.656	0.739	0.892	0.834	0.898	0.555	0.779	0.983
Compound_921	[O-]S(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)[O-])n1ncc(n1)c1ccc(cc1)S(=O)(=O)[O-])n1ncc(n1)c1ccc(cc1)S(=O)(=O)[O-]	0.723	0.433	0.793	0.512	0.768	0.678	0.929	0.884	0.388	0.085	0.24
Compound_922	CC1CCC(CC1)OC(=O)C	0.883	0.189	0.055	0.407	0.13	0.071	0.956	0.543	0.714	0.99	0.191
Compound_923	O=C(C1c2ccccc2Oc2c1cccc2)OCCN(C(C)C)C(C)C	0.053	0.699	0.205	0.136	0.291	0.117	0.017	0.02	0.196	0.077	0.168
Compound_924	O=C(c1ccc(cc1)F)N1CC1	0.344	0.4	0.565	0.609	0.296	0.686	0.122	0.739	0.56	0.91	0.265
Compound_925	ClCCNC(=O)c1ccc(cc1)F	0.31	0.186	0.459	0.346	0.112	0.328	0.079	0.976	0.637	0.223	0.167
Compound_926	CC(C(C(=O)O)NC(=O)OC(C)(C)C)OCc1ccccc1	0.02	0.317	0.017	0.198	0.104	0.062	0.032	0.732	0.255	0.015	0.244
Compound_927	O=C(Nc1cc(ccc1C)n1c(=O)n(c2ccc(c(c2)NC(=O)Oc2ccccc2)C)c(=O)n(c1=O)c1ccc(c(c1)NC(=O)Oc1ccccc1)C)Oc1ccccc1	0.52	0.73	0.095	0.539	0.944	0.919	0.881	0.574	0.792	0.22	0.452
Compound_928	Clc1c2C3=NC4=NC(=NC5=NC(=NC6=NC(=NC(=N3)c2c(c(c1Cl)Cl)Cl)c1c6c(Cl)c(c(c1Cl)Cl)Cl)c1c5c(Cl)c(c(c1Cl)Cl)Cl)c1c4c(Cl)c(c(c1Cl)Cl)Cl	0.674	0.634	0.78	0.674	0.734	0.655	0.933	0.986	0.622	0.906	0.608
Compound_929	CCCCCCCCCCCCCCCCCCNCC(CO)O	0.057	0.211	0.007	0.285	0.06	0.151	0.012	0.011	0.285	0.168	0.046
Compound_930	CCc1cccc(c1O)O	0.739	0.149	0.663	0.627	0.47	0.021	0.783	0.94	0.656	0.923	0.115
Compound_931	BrC1C2CCC(C1=O)(C2(C)C)CS(=O)(=O)O	0.688	0.709	0.068	0.529	0.702	0.6	0.034	0.982	0.363	0.913	0.38
Compound_932	CC(C1OC(=O)C(C1O)O)O	0.505	0.15	0.026	0.487	0.069	0.109	0.036	0.246	0.146	0.633	0.011
Compound_933	O=CCC=CC=O	0.899	0.117	0.252	0.598	0.189	0.354	1.0	0.973	0.922	0.99	0.941
Compound_934	CNc1ccc(cc1N(=O)=O)S(=O)(=O)C	0.97	0.302	0.94	0.539	0.434	0.484	0.115	0.319	0.389	0.782	0.583
Compound_935	Cc1ccc(cc1)C(=O)Oc1cc(ccc1OC(=O)c1ccc(cc1)C)C(C[NH2+]C(C)(C)C)O	0.141	0.611	0.314	0.356	0.317	0.583	0.155	0.019	0.394	0.034	0.481
Compound_936	CCCCNc1cc([o+]c2c1cccc2)c1ccc(cc1)OC	0.123	0.645	0.827	0.58	0.54	0.869	0.138	0.696	0.715	0.079	0.686
Compound_937	CCCCCCCCC=CC1CC(=O)OC1=O	0.952	0.189	0.483	0.658	0.492	0.042	0.998	0.996	0.872	0.999	0.798
Compound_938	CCCC(COC(=O)NC(C)C)(CO)C	0.059	0.138	0.121	0.425	0.04	0.124	0.003	0.124	0.08	0.01	0.088
Compound_939	CC(CCCC(CCCC(C)C)C)CCCC(=CCC12OC2(C)C(=O)c2c(C1=O)cccc2)C	0.8	0.762	0.955	0.54	0.473	0.893	0.294	0.204	0.305	0.847	0.904
Compound_940	COC12CCC(C=C1)CC2C(=O)C	0.967	0.608	0.006	0.509	0.73	0.668	0.128	0.639	0.385	0.955	0.895
Compound_941	O=C(c1ccc(cc1)N)C[N+](C)(C)C	0.303	0.363	0.467	0.521	0.067	0.399	0.012	0.1	0.238	0.015	0.214
Compound_942	O=C(C(F)(F)F)c1ccc(cc1)N	0.889	0.286	0.838	0.636	0.249	0.807	0.951	0.761	0.55	0.6	0.818
Compound_943	CCN(c1ccc(cc1)N=NC1N(C)C=N[NH+]1C)CC	0.48	0.473	0.601	0.601	0.184	0.596	0.0	0.405	0.373	0.63	0.309
Compound_944	CCCCB1C2CCCC1CCC2	0.922	0.278	0.175	0.549	0.632	0.814	0.989	0.819	0.706	0.997	0.66
Compound_945	CCN(CCOC(=O)c1ccccc1O)CC	0.078	0.372	0.079	0.327	0.136	0.036	0.037	0.038	0.04	0.005	0.065
Compound_946	ClCC(S(=O)(=O)[O-])O	0.653	0.157	0.229	0.575	0.039	0.07	0.387	0.964	0.461	0.16	0.247
Compound_947	CCCCCC1C(C)CCC1=O	0.979	0.325	0.239	0.489	0.098	0.052	0.249	0.089	0.246	1.0	0.916
Compound_948	[O-]S(=O)(=O)c1ccc2c(c1)cc(cc2N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)[O-])N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]	0.814	0.536	0.984	0.588	0.724	0.681	0.655	0.987	0.499	0.628	0.176
Compound_949	CCCCC(COOC(=O)OOCC(CCCC)CC)CC	0.889	0.021	0.276	0.567	0.119	0.108	0.994	0.204	0.668	0.999	0.5
Compound_950	OS(=O)(=O)c1cc(ccc1N=Nc1c(O)c2c(NC(=O)c3ccccc3)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)Nc1nc(Cl)nc(n1)Nc1ccc(cc1)S(=O)(=O)O	0.791	0.373	0.999	0.613	0.74	0.681	0.784	0.802	0.442	0.527	0.493
Compound_951	Cc1ccc(c(c1)C1CC2C(C1(C)CC2)(C)C)O	0.817	0.75	0.228	0.617	0.813	0.95	0.042	0.585	0.563	0.994	0.9
Compound_952	CCOc1cc(N=Nc2c(Br)cc(cc2N(=O)=O)N(=O)=O)c(cc1N(C=C)C=C)NC(=O)C	0.7	0.703	0.742	0.578	0.689	0.652	0.18	0.692	0.61	0.986	0.694
Compound_953	[O-]CCCCCC	0.937	0.06	0.27	0.639	0.018	0.023	0.996	0.961	0.676	1.0	0.908
Compound_954	CCOP(OP(OCC)OCC)OCC	0.855	0.114	0.661	0.514	0.086	0.263	0.925	0.274	0.461	0.997	0.535
Compound_955	CC(=O)OC1CCC2(C(C1)CCC1C2=CCC2(C1CC=C2C(=O)C)C)C	0.942	1.0	0.012	0.635	0.925	0.784	0.044	0.996	0.288	0.999	0.087
Compound_956	CC[n+]1c(C=Nc2ccc(cc2)N(C)C)sc2c1cccc2	0.485	0.656	0.981	0.668	0.4	0.702	0.051	0.877	0.714	0.997	0.718
Compound_957	COC(=O)Cc1ccncc1	0.196	0.295	0.337	0.511	0.007	0.032	0.046	0.085	0.644	0.011	0.13
Compound_958	CC(C1CCC(C=C1)(C)O)C	0.847	0.207	0.072	0.557	0.493	0.067	0.7	0.827	0.346	0.352	0.221
Compound_959	Cc1cc[n+](cc1)CCCS(=O)(=O)[O-]	0.173	0.374	0.245	0.441	0.013	0.462	0.087	0.56	0.377	0.064	0.364
Compound_960	O=C=NCCC(CC(CN=C=O)C)(C)C	0.896	0.148	0.402	0.416	0.073	0.249	0.207	0.271	0.674	0.552	0.465
Compound_961	CCCCCCCCCCCCCCCCCC1=NC(CO1)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC	0.543	0.398	0.127	0.693	0.051	0.114	0.94	0.481	0.254	0.94	0.85
Compound_962	Oc1ccc(cc1)Nc1nnns1	0.629	0.621	0.953	0.692	0.262	0.67	0.062	0.688	0.995	0.234	0.509
Compound_963	c1ccc(cc1)P(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1	0.505	0.45	0.384	0.438	0.984	0.636	0.999	0.673	0.892	0.998	0.794
Compound_964	COc1ccc2c(c1)sc([n+]2C)N=Nc1ccc(cc1)N(C)C	0.891	0.813	0.996	0.724	0.459	0.865	0.072	0.174	0.931	0.989	0.526
Compound_965	O=N(=O)c1ccc2c(c1)sc([n+]2C)C	0.738	0.575	0.958	0.645	0.192	0.721	0.981	0.995	0.839	0.995	0.785
Compound_966	COc1cc(N=Nc2cc(ccc2S(=O)(=O)[O-])S(=O)(=O)[O-])c(cc1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)[O-])Nc1nc(Cl)nc(n1)N(c1ccccc1)CS(=O)(=O)[O-])C	0.685	0.629	1.001	0.577	0.731	0.65	0.928	0.975	0.431	0.58	0.513
Compound_967	COc1cc(ccc1O)C1C2COC3(C2C(=CC1C3=O)C1Oc2cc(O)cc(c2C(=O)C1O)O)O	0.802	0.683	0.961	0.608	0.921	0.744	0.55	0.962	0.337	0.029	0.856
Compound_968	CNC(=O)c1c(I)c(N(C(=O)C)C)c(c(c1I)C(=O)O)I	0.064	0.472	0.049	0.365	0.083	0.229	0.003	0.417	0.298	0.078	0.149
Compound_969	CCCCCC=CCCC=CC=O	0.926	0.052	0.268	0.599	0.341	0.494	0.996	0.956	0.964	1.0	0.87
Compound_970	Clc1ccc(cc1)C1=NN(CC1)c1ccc(cc1)S(=O)(=O)CCS(=O)(=O)[O-]	0.476	0.442	0.795	0.553	0.688	0.698	0.684	0.478	0.391	0.573	0.409
Compound_971	CCN(CCc1ccc(cc1)C=C)CC	0.173	0.356	0.137	0.104	0.009	0.164	0.002	0.189	0.511	0.403	0.139
Compound_972	O=N(=O)c1c(ccc2c1cccc2)N(=O)=O	0.999	0.659	0.989	0.579	0.756	0.108	0.992	0.999	0.733	1.0	0.978
Compound_973	CCCCCCCCCCCC[N+](Cc1ccccc1CC)(C)C	0.269	0.572	0.129	0.664	0.012	0.635	0.194	0.685	0.937	0.022	0.109
Compound_974	OC(=O)c1ccccc1OCOc1ccccc1C(=O)O	0.336	0.727	0.545	0.24	0.282	0.473	0.96	0.135	0.645	0.13	0.895
Compound_975	CC(Cc1c(cccc1O)CC(C)C)C	0.654	0.128	0.825	0.627	0.355	0.047	0.349	0.897	0.486	0.932	0.089
Compound_976	O=C(C(C)C)OCC1=CCC2CC1C2(C)C	0.976	0.48	0.396	0.606	0.821	0.602	0.375	0.995	0.318	0.999	0.877
Compound_977	O=C1CCC2(C(=C1)CCC1C2(Br)C(O)CC2(C1CCC2(OC(=O)C)C(=O)C)C)C	0.922	1.0	0.201	0.983	0.681	0.675	0.049	0.755	0.159	0.669	0.17
Compound_978	O=C1OC(=O)C2C1C1CCC2C=C1	0.849	0.347	0.27	0.59	0.708	0.486	0.839	0.997	0.945	0.786	0.597
Compound_979	SCCC(S)C	0.711	0.185	0.046	0.456	0.129	0.094	0.996	0.057	0.874	0.929	0.437
Compound_980	CC[NH+]1C(C)N(c2c1cc(Cl)c(c2)Cl)CCCS(=O)(=O)[O-]	0.319	0.475	0.125	0.414	0.319	0.499	0.013	0.882	0.375	0.168	0.466
Compound_981	CC[NH+]1C(C)N(c2c1cc(Cl)c(c2)Cl)CC	0.54	0.592	0.611	0.436	0.334	0.387	0.011	0.714	0.591	0.959	0.129
Compound_982	CCC(C1CCCCC1)O	0.929	0.081	0.039	0.49	0.073	0.043	0.943	0.234	0.467	0.924	0.132
Compound_983	CC(C(c1ccccc1)(c1ccccc1)C#N)CN1CCCCC1	0.403	0.544	0.034	0.148	0.462	0.322	0.003	0.22	0.458	0.013	0.653
Compound_984	[O-]S(=O)(=O)c1cc(ccc1C=Cc1ccc(cc1S(=O)(=O)[O-])Nc1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])Nc1nc(Nc2cccc(c2)S(=O)(=O)[O-])nc(n1)Nc1cccc(c1)S(=O)(=O)[O-]	0.957	0.485	0.981	0.471	0.87	0.699	0.763	0.961	0.498	0.098	0.425
Compound_985	OCC(=O)C1(CCC2C1(C)CC(O)C1C2CCC2=CC(=O)CCC12C)OC(=O)c1ccccc1	0.923	1.0	0.032	0.883	0.409	0.973	0.304	0.099	0.06	0.172	0.083
Compound_986	CC(C(C(=O)OC(=O)C(C(CCC(=O)O)C)(C)C)(C)C)CCC(=O)O	0.259	0.001	0.075	0.138	0.197	0.036	0.533	0.56	0.227	0.006	0.399
Compound_987	CCCCCCCCCCCCCCCC(=O)OCC(O)C	0.861	0.029	0.056	0.737	0.151	0.216	0.982	0.416	0.097	0.864	0.516
Compound_988	CCCCC(=O)OCC(=O)C1C(C)CC2C1(C)CC(F)C1(C2CC(C2=CC(=O)C=CC12C)F)Cl	0.979	1.0	0.406	0.949	0.912	0.933	0.839	0.136	0.382	0.957	0.117
Compound_989	CC(=O)OCC=C1C2CCC3C1(C)CCCC(C23)(C)C	0.994	0.559	0.152	0.617	0.672	0.366	0.832	0.996	0.608	0.999	0.597
Compound_990	CCC1(CO)COC(OC1)c1ccccc1	0.231	0.422	0.242	0.387	0.049	0.655	0.305	0.013	0.219	0.225	0.369
Compound_991	CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.756	0.218	0.572	0.269	0.928	0.363	0.99	0.171	0.44	0.925	0.11
Compound_992	CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO	0.959	0.228	0.082	0.584	0.455	0.243	0.804	0.628	0.132	0.992	0.467
Compound_993	CCN(CCNc1onc(n1)c1ccccc1)CC	0.088	0.497	0.267	0.402	0.208	0.823	0.014	0.664	0.367	0.317	0.186
Compound_994	CNC(CC(c1ccccc1)c1ccccc1)C	0.094	0.429	0.159	0.249	0.051	0.343	0.083	0.023	0.265	0.165	0.102
Compound_995	N1CCC(CC1)c1c[nH]c2c1cccc2	0.109	0.299	0.444	0.322	0.246	0.668	0.0	0.127	0.387	0.052	0.274
Compound_996	O=C(C(=C)C)OCCO[Si](c1ccccc1)(c1ccccc1)OCCOC(=O)C(=C)C	0.788	0.629	0.402	0.638	0.743	0.457	0.998	0.844	0.917	0.994	0.859
Compound_997	CC(=C)C(=O)OCCO[Si](C)(C)C	0.938	0.095	0.043	0.646	0.575	0.171	0.994	0.839	0.913	0.974	0.648
Compound_998	CC(=O)c1ccccc1C(F)(F)F	0.925	0.145	0.739	0.669	0.087	0.075	0.817	0.993	0.407	0.996	0.806
Compound_999	O=c1ccc2c(o1)cc(cc2)OCCCS(=O)(=O)[O-]	0.611	0.674	0.99	0.613	0.336	0.527	0.242	0.814	0.345	0.944	0.388
Compound_1000	CCCCCCCCC(C(=O)O)C	0.754	0.01	0.072	0.2	0.083	0.005	0.888	0.226	0.077	0.854	0.358