Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCNS(=O)(=O)c1c(C)c(Cl)c(c(c1O)Cl)N	0.163	0.32	0.026	0.269	0.747	0.656	0.003	0.036	0.277	0.005	0.259
Compound_2	CCCOC(=O)C(OC(C1CCCC(C1)(C)C)C)(C)C	0.939	0.097	0.053	0.642	0.102	0.189	0.955	0.794	0.248	0.933	0.39
Compound_3	OC(=O)C(CSc1ccc(cc1)F)(O)C	0.505	0.316	0.419	0.423	0.368	0.197	0.91	0.037	0.187	0.011	0.11
Compound_4	CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N	0.977	0.366	0.611	0.727	0.688	0.898	0.973	0.975	0.372	0.994	0.869
Compound_5	Brc1cc2c(cc1Br)oc1c2c(Br)c(c(c1)Br)Br	0.714	0.522	0.992	0.586	0.703	0.647	0.986	0.97	0.666	0.999	0.976
Compound_6	CCOC(=O)CCl	0.878	0.082	0.577	0.712	0.094	0.008	0.997	0.947	0.703	0.996	0.979
Compound_7	O=Cc1c(C)cc(cc1C)C	0.846	0.068	0.668	0.554	0.017	0.124	0.99	0.207	0.902	0.984	0.606
Compound_8	CC(=O)OC(C1CCC(=CC1)C)(C)C	0.894	0.167	0.488	0.571	0.315	0.03	0.52	0.917	0.76	1.0	0.676
Compound_9	CCCCCCCCC(COC(=O)c1ccc(cc1)O)CCCCCC	0.885	0.285	0.685	0.651	0.954	0.985	0.975	0.021	0.932	0.535	0.5
Compound_10	O=[S@@](c1nc2c([nH]1)cccc2)Cc1nccc(c1C)N(=O)=O	0.266	0.468	0.996	0.503	0.425	0.699	0.061	0.767	0.41	0.112	0.549
Compound_11	CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC	0.53	0.619	0.996	0.553	0.661	0.339	0.521	0.92	0.474	0.98	0.778
Compound_12	CCCCCCCCCCCCCCCCCCP(=O)(OC)OC	0.958	0.056	0.302	0.576	0.648	0.602	1.0	0.974	0.883	0.985	0.757
Compound_13	NC(=O)N	0.463	0.098	0.047	0.244	0.484	0.02	0.031	0.029	0.785	0.259	0.243
Compound_14	CS(=O)CC(NC(=O)c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)(C)C	0.674	0.618	0.56	0.537	0.686	0.714	0.865	0.963	0.402	0.825	0.64
Compound_15	CCNC(=S)NCC	0.071	0.087	0.153	0.369	0.012	0.033	0.001	0.332	0.819	0.995	0.427
Compound_16	Oc1ccc(c(c1)O)C(=O)c1ccccc1	0.962	0.801	0.944	0.821	0.923	0.985	0.993	0.865	0.718	0.664	0.749
Compound_17	COCC1(CCN(CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC	0.952	0.704	0.047	0.135	0.301	0.898	0.006	0.968	0.377	0.023	0.297
Compound_18	CCCC(=O)CC(=O)OC	0.727	0.028	0.322	0.557	0.037	0.037	0.988	0.942	0.457	0.435	0.816
Compound_19	n1ccc(cc1)c1ccncc1	0.561	0.737	0.83	0.698	0.012	0.658	0.016	0.522	0.929	0.66	0.908
Compound_20	O=c1nc([nH]c(n1)c1ccccc1)c1ccccc1	0.485	0.595	0.47	0.667	0.157	0.808	0.719	0.266	0.852	0.044	0.247
Compound_21	CCOP(=S)(SCS(=O)(=O)C(C)(C)C)OCC	0.676	0.081	0.843	0.527	0.363	0.322	0.975	0.668	0.462	0.995	0.367
Compound_22	CC=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(C)C	0.711	0.636	0.454	0.571	0.905	0.213	0.786	0.993	0.445	0.998	0.978
Compound_23	NCC(=O)O	0.045	0.059	0.02	0.123	0.039	0.002	0.0	0.007	0.087	0.0	0.075
Compound_24	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.79	0.592	0.982	0.754	0.859	0.708	0.981	0.803	0.422	0.83	0.963
Compound_25	CC(C(C=CC1CC=C(C1(C)C)C)C)O	0.815	0.328	0.057	0.601	0.52	0.092	0.119	0.96	0.588	0.972	0.986
Compound_26	OC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl	0.285	0.228	0.839	0.41	0.585	0.479	0.952	0.857	0.706	0.573	0.247
Compound_27	O=C(N(C)C)Oc1cccc(c1)[N+](C)(C)C	0.679	0.517	0.104	0.566	0.236	0.352	0.37	0.044	0.058	0.015	0.236
Compound_28	CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1	0.818	0.528	0.109	0.615	0.043	0.094	0.832	0.924	0.395	0.769	0.507
Compound_29	OCC(c1ccc(cc1)CC(C)C)C	0.091	0.069	0.098	0.473	0.041	0.112	0.26	0.621	0.374	0.124	0.178
Compound_30	OCN1C(=O)N(C2C1N(CO)C(=O)N2CO)CO	0.128	0.317	0.042	0.457	0.108	0.238	0.002	0.04	0.355	0.057	0.723
Compound_31	CCN(C(=O)c1cccc(c1)C(=O)O)CC	0.055	0.335	0.137	0.319	0.001	0.328	0.014	0.302	0.282	0.012	0.03
Compound_32	C#C	0.889	0.204	0.433	0.443	0.047	0.053	0.686	0.897	0.886	1.0	0.763
Compound_33	FC(c1ccccc1S(=O)(=O)Cl)(F)F	0.934	0.49	0.939	0.709	0.162	0.215	0.994	0.932	0.481	0.995	0.558
Compound_34	CCC(c1ccc(cc1)OC)O	0.287	0.108	0.166	0.406	0.423	0.271	0.819	0.274	0.33	0.081	0.227
Compound_35	ClCCN(c1ccc(cc1)C=O)CC	0.806	0.525	0.675	0.552	0.546	0.65	0.686	0.966	0.96	0.841	0.942
Compound_36	O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O	0.603	0.68	0.832	0.539	0.142	0.654	0.991	0.951	0.433	0.447	0.918
Compound_37	[C-]#N	0.894	0.297	0.407	0.5	0.693	0.073	0.457	0.964	0.939	0.999	0.927
Compound_38	CCOCCOC(C)(C)C	0.784	0.087	0.113	0.525	0.128	0.113	0.936	0.065	0.519	0.942	0.861
Compound_39	CCCCCCCCCCCCN(=O)(C)C	0.938	0.509	0.049	0.61	0.051	0.529	0.02	0.9	0.914	0.15	0.5
Compound_40	CCC(Cl)C	0.937	0.253	0.407	0.647	0.191	0.047	0.998	0.985	0.737	0.998	0.812
Compound_41	CNCC(c1ccccc1)C	0.026	0.119	0.053	0.249	0.004	0.03	0.0	0.002	0.346	0.165	0.014
Compound_42	CCCCOC(=O)NC(=S)SCCCC	0.168	0.176	0.205	0.394	0.127	0.29	0.678	0.16	0.457	0.429	0.518
Compound_43	O=C(Nc1ccc2c(c1)c(N)cc(n2)C)Nc1ccc2c(c1)c(N)cc(n2)C	0.628	0.787	0.995	0.652	0.891	0.931	0.037	0.858	0.729	0.007	0.261
Compound_44	Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl	0.489	0.421	0.619	0.701	0.854	0.791	0.16	0.173	0.95	0.996	0.992
Compound_45	O=CC(=Cc1ccccc1Cl)c1ccc(cc1)F	0.802	0.547	0.566	0.649	0.629	0.719	0.998	0.811	0.964	1.0	0.991
Compound_46	Cn1cnc2c(c1N)ncn2	0.4	0.691	0.398	0.506	0.208	0.315	0.012	0.445	0.974	0.542	0.164
Compound_47	Brc1ccc2c(c1)C(F)(F)c1c2ccc(c1)c1cnc([nH]1)[C@@H]1CC2(CN1C(=O)OC(C)(C)C)CC2	0.351	0.59	0.843	0.671	0.676	0.654	0.973	0.811	0.406	0.295	0.459
Compound_48	c1ccc(cc1)C[N+]12CN3CN(C2)CN(C1)C3	0.331	0.459	0.344	0.282	0.061	0.422	0.006	0.486	0.766	0.909	0.184
Compound_49	OC(=O)CCCCC1SSCC1	0.651	0.365	0.066	0.162	0.257	0.098	0.983	0.074	0.105	0.084	0.415
Compound_50	Cc1ccc(cc1)S(=O)(=O)Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O	0.284	0.261	0.678	0.367	0.731	0.696	0.724	0.217	0.404	0.546	0.675
Compound_51	Brc1cc(Br)c2c(c1O)nccc2	0.611	0.656	0.818	0.274	0.698	0.871	0.101	0.561	0.528	0.998	0.99
Compound_52	Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O	0.838	0.889	0.982	0.896	0.905	0.965	0.988	0.989	0.878	0.011	0.672
Compound_53	ClCC(=O)c1ccc(cc1)F	0.991	0.106	0.696	0.723	0.536	0.616	0.995	0.991	0.563	0.985	0.712
Compound_54	CC(CCCCCCCOP(=O)(c1ccc(c(c1)O)O)OCCCCCCCC(C)C)C	0.753	0.474	0.734	0.624	0.838	0.121	0.985	0.862	0.12	0.964	0.557
Compound_55	O=C(CNC(=O)C(=C)Cc1ccccc1)OCc1ccccc1	0.189	0.525	0.372	0.301	0.135	0.315	0.586	0.711	0.382	0.54	0.648
Compound_56	OCCOCOCCO	0.443	0.051	0.103	0.469	0.059	0.142	0.088	0.417	0.187	0.748	0.605
Compound_57	O=C(OC1CCC(CC1)C(C)(C)C)OOC(=O)OC1CCC(CC1)C(C)(C)C	0.938	0.604	0.066	0.479	0.569	0.347	0.77	0.424	0.62	0.397	0.399
Compound_58	COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(c(c2c(c3C)O)O)NC(=O)C(=CC=CC(C(C(C(C(C(C1C)OC(=O)C)C)O)C)O)C)C	0.893	0.772	0.191	0.508	0.907	0.838	0.993	0.976	0.413	0.443	0.913
Compound_59	NNC(=O)NN	0.505	0.118	0.871	0.356	0.456	0.118	0.008	0.537	0.74	0.297	0.209
Compound_60	Clc1cc(Cl)c2c(c1)oc1c2cc(cc1C(C)C)Cl	0.448	0.56	0.93	0.625	0.665	0.763	0.444	0.862	0.462	0.986	0.94
Compound_61	CNC	0.377	0.053	0.146	0.356	0.125	0.014	0.005	0.095	0.83	0.931	0.569
Compound_62	CC(CCCCCCCOC(=O)CC(S(=O)(=O)O)C(=O)OCCCCCCCC(C)C)C	0.66	0.069	0.308	0.45	0.208	0.292	0.936	0.643	0.413	0.852	0.274
Compound_63	Brc1ccc(c(c1)Br)O	0.976	0.134	0.354	0.527	0.67	0.722	0.991	0.772	0.45	0.996	0.929
Compound_64	Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br	0.922	0.704	0.89	0.656	0.656	0.652	0.999	0.653	0.384	0.999	0.995
Compound_65	CCCCOC(=O)C(O)C	0.632	0.034	0.034	0.688	0.041	0.051	0.88	0.399	0.565	0.131	0.481
Compound_66	COCC(=O)c1ccc(cc1)OCC(CNC(C)C)O	0.009	0.41	0.014	0.19	0.022	0.18	0.008	0.168	0.285	0.004	0.019
Compound_67	CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO	0.601	0.607	0.058	0.107	0.093	0.499	0.519	0.026	0.061	0.216	0.32
Compound_68	CCCCCc1cc(O)c(c(c1)O)[C@H]1C=C(C)CC[C@@H]1C(=C)C	0.869	0.637	0.688	0.58	0.672	0.595	0.577	0.978	0.952	0.987	0.901
Compound_69	CCCC(c1ccc(cc1)O)(c1ccc(cc1)O)CCC	0.963	0.705	0.597	0.577	0.967	0.99	0.969	0.945	0.712	0.986	0.977
Compound_70	C1CN2CCN1CC2	0.142	0.319	0.1	0.091	0.008	0.015	0.002	0.958	0.664	0.43	0.158
Compound_71	Ic1ccc(c(c1)C(=O)c1ccc(cc1)OC1COCC1)Cl	0.295	0.49	0.728	0.708	0.934	0.859	0.869	0.681	0.487	0.988	0.934
Compound_72	Cc1cccc(c1OS(=O)(=O)c1ccc(cc1)O)C	0.737	0.607	0.8	0.693	0.328	0.601	0.166	0.465	0.393	0.802	0.126
Compound_73	CCC(N=NC(C#N)(CC)C)(C#N)C	0.477	0.033	0.021	0.498	0.233	0.098	0.093	0.952	0.565	0.558	0.778
Compound_74	ClCS(=O)(=O)Nc1c(Oc2ccc(cc2Cl)Cl)cc(c(c1Cl)Cl)Cl	0.684	0.639	0.539	0.722	0.521	0.701	0.938	0.955	0.52	0.543	0.773
Compound_75	Nc1cc2c(c(c1)S(=O)(=O)O)cc(cc2S(=O)(=O)O)S(=O)(=O)O	0.639	0.288	0.996	0.488	0.615	0.684	0.818	0.349	0.494	0.187	0.559
Compound_76	CCCCCCCCSCc1cc(CSCCCCCCCC)c(c(c1)C)O	0.628	0.337	0.116	0.625	0.625	0.95	0.46	0.411	0.511	0.992	0.827
Compound_77	OCn1c(=S)n(c2c1cccc2)CO	0.698	0.472	0.144	0.43	0.038	0.661	0.084	0.032	0.8	0.256	0.551
Compound_78	CC[NH+](CCCNc1nc(Nc2ccc(cc2)N=Nc2c(O)c3c(Nc4nc(NCC(N)C)nc(n4)NCC(N)C)cc(cc3cc2S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1ccc(cc1)N=Nc1c(O)c2c(Nc3nc(NCC(N)C)nc(n3)NCC(N)C)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)CC	0.722	0.679	0.998	0.354	0.728	0.663	0.703	0.455	0.411	0.769	0.596
Compound_79	CNC(=O)ON=C(C(=O)N(C)C)SC	0.061	0.127	0.268	0.329	0.067	0.017	0.002	0.682	0.434	0.947	0.744
Compound_80	CSc1nnc(c(=O)n1N)C(C)(C)C	0.281	0.502	0.383	0.452	0.227	0.227	0.094	0.079	0.436	0.049	0.22
Compound_81	OC[C@@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C	0.563	0.567	0.244	0.192	0.27	0.661	0.519	0.08	0.193	0.06	0.144
Compound_82	CCOCC	0.845	0.127	0.659	0.506	0.022	0.025	0.962	0.08	0.372	0.998	0.85
Compound_83	OCC1(C)CC(c2c1c(Br)c(Br)c(c2Br)Br)(C)c1cc(Br)c(c(c1Br)Br)Br	0.577	0.565	0.134	0.497	0.617	0.36	0.785	0.903	0.397	0.895	0.883
Compound_84	CC(CO)N	0.036	0.088	0.035	0.339	0.015	0.017	0.002	0.026	0.379	0.003	0.127
Compound_85	Cc1ccc2c(c1)Sc1c(S2)ccc(c1)C	0.401	0.548	0.882	0.609	0.65	0.656	0.884	0.204	0.877	0.961	0.61
Compound_86	Cc1ccc(=O)n(c1)c1ccccc1	0.053	0.581	0.107	0.486	0.318	0.68	0.01	0.005	0.905	0.171	0.369
Compound_87	NCc1cccc(c1)CN	0.36	0.183	0.68	0.499	0.006	0.161	0.009	0.053	0.676	0.264	0.213
Compound_88	OC(c1ccccc1)(c1ccccc1)CCN1CCCCC1	0.04	0.334	0.224	0.043	0.1	0.381	0.001	0.005	0.234	0.065	0.087
Compound_89	CCCCC(CO)CC	0.834	0.041	0.07	0.56	0.043	0.044	0.921	0.097	0.304	0.826	0.666
Compound_90	CCCCN(C(c1ccc(cc1)OC)C(=O)N)CCCC	0.015	0.401	0.096	0.256	0.007	0.286	0.002	0.008	0.347	0.073	0.048
Compound_91	FC(C(C(F)(F)F)(F)F)(N(C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)F	0.65	0.099	0.328	0.401	0.344	0.06	0.952	0.629	0.181	0.993	0.86
Compound_92	OC1CCC2(C(C1)(O)C1CC1C1C2CCC2(C1C1CC1C2=O)C)C	0.783	0.928	0.036	0.583	0.893	0.62	0.006	0.461	0.222	0.93	0.224
Compound_93	COC(=O)C=C(OP(=O)(OC)OC)C	0.952	0.196	0.925	0.696	0.275	0.033	0.996	0.995	0.704	0.988	0.647
Compound_94	CC(c1ccc(cc1)c1ccccc1)C	0.893	0.469	0.826	0.766	0.191	0.236	0.937	0.714	0.665	0.969	0.745
Compound_95	CNCC(c1cccc(c1)NS(=O)(=O)C)O	0.023	0.394	0.028	0.214	0.042	0.11	0.0	0.003	0.342	0.0	0.37
Compound_96	O=C(Nc1ccccc1Sc1ccccc1)Oc1ccccc1	0.531	0.588	0.918	0.566	0.945	0.774	0.641	0.944	0.706	0.68	0.586
Compound_97	O=C1CCC(=O)N1	0.077	0.245	0.063	0.264	0.034	0.025	0.126	0.137	0.578	0.104	0.226
Compound_98	O=C1C(NC(=O)c2c(C)onc2c2c(F)cccc2Cl)C2N1C(C(=O)O)C(S2)(C)C	0.06	0.531	0.013	0.241	0.769	0.508	0.034	0.616	0.08	0.989	0.11
Compound_99	OCc1nn(c2c1cccc2)Cc1ccccc1	0.494	0.545	0.835	0.526	0.566	0.563	0.016	0.359	0.79	0.031	0.7
Compound_100	CC(=C)CS(=O)(=O)O	0.712	0.108	0.043	0.253	0.127	0.085	0.95	0.553	0.406	0.842	0.288
Compound_101	CCC(N(=O)=O)(CN1CCOCC1)CN1CCOCC1	0.156	0.45	0.062	0.144	0.023	0.188	0.003	0.536	0.353	0.127	0.678
Compound_102	CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2	0.277	0.493	0.695	0.703	0.294	0.588	0.293	0.977	0.352	0.996	0.339
Compound_103	N#Cc1nn(c(c1SSc1c(C#N)nn(c1N)c1c(Cl)cc(cc1Cl)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.431	0.532	0.225	0.575	0.768	0.662	0.934	0.813	0.772	0.671	0.708
Compound_104	Clc1cc(Cl)c2c(c1)oc1c2c(Cl)c(c(c1)Cl)Cl	0.777	0.543	0.976	0.595	0.795	0.823	0.931	0.951	0.736	0.999	0.991
Compound_105	C[CH2]	0.869	0.124	0.428	0.508	0.032	0.01	0.917	0.783	0.91	0.998	0.785
Compound_106	CC(=O)OO	0.763	0.098	0.4	0.517	0.067	0.04	0.672	0.861	0.873	0.934	0.5
Compound_107	CN(CCc1c[nH]c2c1cc(O)cc2)C	0.171	0.565	0.411	0.341	0.473	0.66	0.002	0.147	0.314	0.28	0.268
Compound_108	COc1ccc(cc1N)N	0.653	0.361	0.982	0.624	0.059	0.224	0.908	0.917	0.893	0.911	0.814
Compound_109	CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	0.465	0.495	0.578	0.552	0.975	0.799	0.999	0.71	0.901	0.996	0.821
Compound_110	O=C1NC(=O)NC1c1ccc(cc1)O	0.076	0.193	0.863	0.336	0.119	0.312	0.004	0.017	0.382	0.007	0.37
Compound_111	CC(c1nn(c(=O)n1N)C(=O)NC(C)(C)C)C	0.156	0.255	0.076	0.319	0.078	0.391	0.003	0.012	0.379	0.023	0.51
Compound_112	COC(N(C)C)OC	0.48	0.092	0.046	0.195	0.091	0.065	0.05	0.85	0.511	0.744	0.379
Compound_113	Cc1cc(C)c(c(c1)C(C)(C)C)O	0.473	0.051	0.536	0.564	0.279	0.927	0.041	0.9	0.954	0.988	0.5
Compound_114	CCC(=C(c1ccc(cc1)OP(=O)(O)O)CC)c1ccc(cc1)OP(=O)(O)O	0.59	0.795	0.152	0.364	0.777	0.415	0.953	0.015	0.722	0.982	0.713
Compound_115	CC1COCC1	0.779	0.263	0.084	0.487	0.022	0.027	0.993	0.06	0.614	0.987	0.817
Compound_116	CC(Cl)Cl	0.929	0.124	0.428	0.597	0.159	0.221	0.973	0.99	0.728	0.999	0.801
Compound_117	CC(=O)OCCOC(=O)C	0.848	0.004	0.318	0.632	0.075	0.034	0.906	0.281	0.922	0.798	0.855
Compound_118	CCOC(=O)C(=C)C	0.944	0.1	0.435	0.648	0.265	0.028	0.996	0.846	0.814	0.993	0.977
Compound_119	COC1=Cc2ccccc2Nc2c1cccc2	0.421	0.724	0.77	0.54	0.488	0.598	0.993	0.433	0.818	0.971	0.907
Compound_120	CCCCCCCCCCCCCCCCCCOC=C	0.948	0.033	0.147	0.545	0.241	0.319	1.0	0.971	0.861	1.0	0.896
Compound_121	CC1=NN(C(=O)C1=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1	0.705	0.679	0.93	0.733	0.735	0.697	0.999	0.86	0.409	0.797	0.552
Compound_122	SCC(C(=O)NC(C(=O)NC(C(=O)O)C(O)C)C)N	0.004	0.129	0.001	0.188	0.175	0.06	0.0	0.009	0.314	0.002	0.03
Compound_123	NC(=NCCc1ccccc1)N=C(N)N	0.136	0.302	0.591	0.509	0.012	0.348	0.014	0.122	0.542	0.012	0.048
Compound_124	OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO	0.777	0.464	0.094	0.618	0.932	0.754	0.197	0.144	0.346	0.452	0.378
Compound_125	NC(=O)c1c(Cl)c(C(=O)N)c(c(c1S(=O)(=O)O)Cl)Cl	0.416	0.399	0.262	0.327	0.714	0.656	0.632	0.132	0.41	0.114	0.117
Compound_126	O=N(=O)c1ccccc1	0.992	0.15	0.933	0.588	0.155	0.214	0.999	0.989	0.881	0.998	0.898
Compound_127	CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2	0.038	0.499	0.669	0.076	0.799	0.645	0.942	0.9	0.918	0.046	0.441
Compound_128	CCB(c1cccnc1)CC	0.359	0.304	0.131	0.519	0.566	0.774	0.072	0.036	0.816	0.627	0.66
Compound_129	BrCCC(C(=O)OCC)(C(=O)OCC)C(=O)OCC	0.791	0.044	0.423	0.699	0.332	0.117	0.973	0.987	0.341	0.947	0.957
Compound_130	Oc1cc(O)c2c(c1)OC(C(C2)OC1(Oc2cc(O)cc(c2C(C1O)O)O)c1ccc(c(c1)O)O)c1ccc(c(c1)O)O	0.452	0.647	0.156	0.464	0.996	0.686	0.145	0.297	0.217	0.114	0.58
Compound_131	C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC	0.974	0.08	0.197	0.65	0.776	0.499	0.997	0.998	0.919	0.996	0.949
Compound_132	COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C	0.546	0.837	0.972	0.781	0.555	0.824	0.78	0.907	0.546	0.132	0.617
Compound_133	O=C1NC(=O)N(C1)N=Cc1ccc(o1)N(=O)=O	0.109	0.334	0.39	0.329	0.635	0.571	0.012	0.992	0.288	0.31	0.407
Compound_134	O=C(c1ccccc1)CC(=O)c1ccccc1	0.908	0.622	0.592	0.55	0.248	0.951	0.95	0.761	0.95	0.216	0.96
Compound_135	CCCCCCCCSCCO	0.736	0.094	0.069	0.611	0.365	0.16	0.963	0.889	0.425	0.958	0.678
Compound_136	CCCCCCCCCCBr	0.989	0.038	0.309	0.704	0.279	0.045	0.996	0.997	0.94	1.0	0.923
Compound_137	Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O	0.291	0.224	0.131	0.204	0.45	0.54	0.202	0.023	0.349	0.003	0.47
Compound_138	CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C	0.053	0.666	0.071	0.012	0.632	0.262	0.117	0.014	0.343	0.094	0.087
Compound_139	BrC1C(Cl)C(Br)C(C(C1Br)Br)Br	0.985	0.133	0.664	0.603	0.407	0.652	0.999	0.984	0.771	0.999	0.29
Compound_140	CC(C(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C)O	0.362	0.712	0.924	0.756	0.697	0.817	0.525	0.946	0.406	0.423	0.336
Compound_141	c1ccc(cc1)Cc1ccc(cc1)Cc1ccccc1	0.888	0.58	0.763	0.532	0.841	0.948	0.999	0.938	0.924	0.998	0.824
Compound_142	O=N(=O)c1ccccc1F	0.999	0.213	0.906	0.637	0.229	0.199	0.999	0.993	0.689	0.999	0.905
Compound_143	NC(=NNc1ccc(cc1)N=NC(=S)N)N	0.749	0.326	0.59	0.571	0.231	0.896	0.41	0.519	0.755	0.609	0.337
Compound_144	CCN(CCOC(=O)C(c1ccccc1)C1CCCCC1)CC	0.112	0.437	0.061	0.168	0.083	0.035	0.074	0.021	0.131	0.823	0.087
Compound_145	OC(=O)C(C(F)(F)F)(F)F	0.672	0.014	0.047	0.543	0.458	0.028	0.93	0.982	0.193	0.354	0.918
Compound_146	OCCNc1ccc(cc1N(=O)=O)N	0.664	0.222	0.822	0.357	0.597	0.096	0.001	0.912	0.293	0.004	0.558
Compound_147	OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O	0.695	0.17	0.747	0.415	0.076	0.12	0.953	0.985	0.504	0.666	0.81
Compound_148	OC(=NCc1ccccc1Cl)NC(c1ccccc1)(C)C	0.235	0.442	0.036	0.333	0.191	0.839	0.11	0.006	0.28	0.12	0.414
Compound_149	CCCCC(COP(Oc1ccccc1)Oc1ccccc1)CC	0.93	0.653	0.268	0.641	0.685	0.078	0.982	0.372	0.715	0.995	0.705
Compound_150	CCN(c1ccc(cc1)C=C(C(=O)OCCC[N+](CCOC(=O)C(=Cc1ccc(cc1)N(CC)CC)C#N)(C)C)C#N)CC	0.426	0.659	0.042	0.742	0.956	0.699	0.829	0.869	0.459	0.555	0.646
Compound_151	CCOP(=S)(Oc1cc(Cl)c(cc1Cl)Br)OCC	0.95	0.611	0.989	0.749	0.684	0.652	0.988	0.983	0.576	0.998	0.76
Compound_152	Cc1ccc(cc1)S(=O)(=O)N1CCN(CCN(CCN(CC1)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C)S(=O)(=O)c1ccc(cc1)C	0.033	0.464	0.119	0.485	0.779	0.756	0.793	0.019	0.367	0.723	0.385
Compound_153	CCCCCCCCCCCCCCCC(=O)Cl	0.992	0.042	0.286	0.72	0.179	0.1	1.0	0.999	0.598	1.0	0.979
Compound_154	N#CCN(CC#N)CCN(CC#N)CC#N	0.18	0.2	0.046	0.16	0.079	0.051	0.006	0.982	0.714	0.851	0.906
Compound_155	COCC(=O)O[C@]1(CCN(CCCc2nc3c([nH]2)cccc3)C)CCc2c([C@@H]1C(C)C)ccc(c2)F	0.377	0.753	0.982	0.303	0.546	0.757	0.979	0.891	0.511	0.265	0.431
Compound_156	OC(=O)CN(CC(=O)O)CC(=O)O	0.052	0.057	0.016	0.097	0.065	0.003	0.002	0.947	0.638	0.009	0.235
Compound_157	COP(=S)(OC)S	0.87	0.084	0.051	0.274	0.272	0.074	0.975	0.012	0.938	0.997	0.776
Compound_158	Clc1ccc(cc1)C(=C(Cl)Cl)c1ccccc1Cl	0.836	0.578	0.719	0.651	0.94	0.942	0.961	0.978	0.49	0.999	0.922
Compound_159	CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl	0.67	0.231	0.793	0.713	0.125	0.151	0.659	0.931	0.419	0.921	0.468
Compound_160	OCC=C(C#C[C@]1(O)[C@H](C)C[C@H](CC1(C)C)O)C	0.891	0.51	0.526	0.725	0.655	0.851	0.554	0.374	0.465	0.518	0.292
Compound_161	CCCC1CN(C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)O)C(Cl)C)CO	0.84	0.418	0.036	0.224	0.488	0.233	0.007	0.454	0.359	0.048	0.417
Compound_162	O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O	0.823	0.711	0.685	0.614	0.43	0.795	0.932	0.709	0.755	0.981	0.918
Compound_163	OCC(COCC(CBr)(CBr)CO)(CBr)CBr	0.757	0.082	0.086	0.577	0.269	0.507	0.671	0.476	0.398	0.614	0.945
Compound_164	BrC1C2CC(C1Br)C1C2C(=O)N(C1=O)CCN1C(=O)C2C(C1=O)C1CC2C(C1Br)Br	0.496	0.506	0.275	0.585	0.688	0.652	0.049	0.997	0.476	0.83	0.64
Compound_165	C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C	0.434	0.691	0.811	0.406	0.377	0.443	0.074	0.614	0.775	0.875	0.653
Compound_166	CC(=O)C=CC1=C(C)CCCC1(C)C	1.001	0.181	0.804	0.716	0.518	0.647	0.824	0.889	0.986	0.999	0.803
Compound_167	OC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F	0.718	0.073	0.154	0.579	0.408	0.104	0.666	0.93	0.259	0.293	0.901
Compound_168	CC1(C)CC2(c3c1ccc(c3)O)CC(c1c2cc(O)cc1)(C)C	0.846	0.721	0.387	0.633	0.981	0.913	0.344	0.881	0.652	0.995	0.97
Compound_169	COCCCNCC1COc2c(O1)cccc2	0.021	0.48	0.066	0.315	0.066	0.022	0.019	0.046	0.337	0.081	0.086
Compound_170	OCCS(=O)(=O)c1cccc(c1)N(=O)=O	0.736	0.32	0.321	0.563	0.259	0.553	0.702	0.031	0.333	0.019	0.419
Compound_171	O=C1CCCCC1	0.913	0.136	0.32	0.482	0.028	0.032	0.925	0.683	0.436	0.999	0.568
Compound_172	O=CC(Br)(Br)Br	0.882	0.076	0.407	0.642	0.483	0.425	0.968	0.992	0.95	1.0	0.98
Compound_173	OC(=O)COc1nc(F)c(c(c1Cl)N)Cl	0.344	0.381	0.558	0.307	0.215	0.15	0.801	0.046	0.305	0.066	0.341
Compound_174	Oc1ccc(cc1)OCc1ccccc1	0.708	0.77	0.709	0.738	0.862	0.898	0.99	0.356	0.95	0.141	0.918
Compound_175	O=N(=O)c1cc(Br)c(c(c1)N(=O)=O)O	0.942	0.149	0.93	0.627	0.665	0.653	0.997	0.994	0.762	0.995	0.924
Compound_176	N#Cc1nc(Cl)c(c(c1Cl)Cl)Cl	0.757	0.322	0.939	0.621	0.905	0.898	0.994	0.966	0.95	0.948	0.809
Compound_177	CN1C2CCCC1CC(C2)NC(=O)c1nn(c2c1cccc2)C	0.7	0.579	0.066	0.316	0.336	0.634	0.198	0.688	0.537	0.084	0.117
Compound_178	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC	0.626	0.038	0.842	0.698	0.3	0.133	0.99	0.957	0.46	0.999	0.757
Compound_179	S=c1oc2c([nH]1)cccc2	0.638	0.466	0.896	0.481	0.054	0.151	0.869	0.347	0.813	0.999	0.778
Compound_180	CCCCN(C(=O)SCCC)CC	0.115	0.094	0.349	0.683	0.094	0.118	0.107	0.537	0.231	0.995	0.595
Compound_181	O=C1C=CC(=O)c2c1cc1ccccc1c2	0.78	0.752	0.985	0.646	0.181	0.936	0.844	0.996	0.874	0.973	1.0
Compound_182	OC(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O	0.39	0.448	0.994	0.5	0.647	0.605	0.107	0.515	0.404	0.13	0.286
Compound_183	Clc1ccc(c(c1)C(F)(F)F)N	0.849	0.385	0.942	0.649	0.467	0.279	0.998	0.952	0.789	0.991	0.549
Compound_184	Clc1ccc(c(c1)c1ccccc1)Cl	0.973	0.396	0.949	0.787	0.754	0.612	0.989	0.077	0.977	0.986	0.648
Compound_185	Oc1cc(O)cc(c1)C(=O)O	0.711	0.181	0.271	0.409	0.35	0.065	0.252	0.484	0.872	0.098	0.038
Compound_186	NCC1Cc2c1cc(c(c2)OC)OC	0.141	0.227	0.211	0.54	0.11	0.599	0.007	0.014	0.544	0.058	0.165
Compound_187	NC(=O)OCC1N=C(N)N2C3(C1NC(=N3)N)C(O)(O)CC2	0.219	0.499	0.014	0.315	0.117	0.348	0.002	0.008	0.043	0.009	0.516
Compound_188	Oc1cccc(c1)Cl	0.918	0.17	0.738	0.61	0.698	0.098	0.895	0.167	0.394	0.81	0.648
Compound_189	OC(c1ccccc1)(C1CCCCC1)CCN1CCCC1	0.053	0.364	0.128	0.044	0.083	0.293	0.003	0.004	0.241	0.054	0.062
Compound_190	O=C1c2ccccc2c2n1c1cccc3c1c(n2)ccc3	0.787	0.778	0.947	0.508	0.636	0.886	0.435	0.85	0.763	0.489	0.2
Compound_191	OCCOCCN(C)C	0.062	0.068	0.006	0.132	0.034	0.028	0.007	0.146	0.07	0.012	0.111
Compound_192	NCCNCCNCCN	0.026	0.03	0.019	0.346	0.017	0.004	0.0	0.014	0.05	0.134	0.258
Compound_193	O=Cc1ccc(c(c1)C)C	0.826	0.078	0.589	0.538	0.029	0.206	0.988	0.117	0.858	0.963	0.577
Compound_194	CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C	0.053	0.348	0.125	0.047	0.815	0.667	0.928	0.9	0.676	0.008	0.918
Compound_195	CCN1C(=O)c2c(C1=O)cccc2	0.435	0.601	0.451	0.493	0.016	0.207	0.064	0.028	0.481	0.471	0.327
Compound_196	Nc1ccc(cc1)c1nn2c([nH]1)cc(n2)C(C)(C)C	0.313	0.557	0.887	0.625	0.569	0.745	0.182	0.898	0.929	0.49	0.648
Compound_197	c1ccc(cc1)CN1CCN(CC1)Cc1ccccc1	0.032	0.532	0.183	0.071	0.038	0.727	0.011	0.802	0.633	0.087	0.06
Compound_198	COC(OCc1ccc(cc1Br)Br)(C)C	0.704	0.22	0.624	0.729	0.313	0.654	0.992	0.32	0.503	0.969	0.611
Compound_199	CC1(C)OC1	0.845	0.144	0.047	0.513	0.122	0.052	0.886	0.211	0.679	0.958	0.872
Compound_200	Clc1ccc(cc1)OCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2	0.069	0.728	0.995	0.405	0.039	0.898	0.042	0.974	0.331	0.95	0.5
Compound_201	NNc1c(Cl)cc(cc1Cl)Cl	0.906	0.382	0.791	0.57	0.291	0.554	0.996	0.965	0.684	0.854	0.34
Compound_202	Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F	0.287	0.39	0.382	0.371	0.515	0.56	0.133	0.969	0.504	0.128	0.355
Compound_203	CCCCC(=O)N(C(C(=O)OCc1ccccc1)C(C)C)Cc1ccc(cc1)c1ccccc1c1nn[nH]n1	0.313	0.755	0.453	0.622	0.5	0.83	0.99	0.739	0.361	0.651	0.398
Compound_204	CC(OC(=O)CCCCCCCCC(=O)OC(C)C)C	0.902	0.015	0.232	0.543	0.102	0.039	0.999	0.158	0.423	0.985	0.809
Compound_205	CN(c1ccc(cc1)N)C(=O)C	0.675	0.213	0.837	0.567	0.03	0.365	0.572	0.117	0.888	0.281	0.183
Compound_206	S=C(Nc1ccccc1)Nc1ccccc1	0.844	0.669	0.595	0.44	0.32	0.954	0.979	0.681	0.976	0.998	0.813
Compound_207	Clc1c(cccc1N(=O)=O)N(=O)=O	0.985	0.37	0.874	0.656	0.24	0.188	0.999	0.997	0.763	0.999	0.918
Compound_208	c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2	0.988	0.649	0.977	0.622	0.937	0.898	0.998	0.924	0.93	1.0	0.952
Compound_209	CCCCOCCOCCOCCO	0.694	0.095	0.063	0.588	0.143	0.295	0.46	0.551	0.344	0.887	0.568
Compound_210	OC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C	0.653	0.553	0.566	0.498	0.406	0.1	0.689	0.276	0.226	0.62	0.718
Compound_211	CC(N=c1nc(Cl)[nH]c(=NC2CC2)[nH]1)C	0.331	0.502	0.236	0.442	0.188	0.172	0.137	0.377	0.691	0.073	0.102
Compound_212	C=CC(=O)NC(C)(C)C	0.317	0.066	0.308	0.523	0.037	0.026	0.444	0.992	0.28	0.961	0.638
Compound_213	N#CCCCc1ccccc1	0.78	0.193	0.286	0.562	0.346	0.134	0.996	0.841	0.701	0.86	0.824
Compound_214	C=CCCCC(C)C	0.94	0.046	0.78	0.649	0.297	0.009	0.965	0.952	0.108	0.982	0.821
Compound_215	Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N	0.952	0.876	0.968	0.742	0.905	0.897	0.822	0.986	0.827	0.791	0.926
Compound_216	Clc1cc2Oc3cc(Br)c(cc3Oc2cc1Cl)Br	0.93	0.512	0.966	0.698	0.698	0.65	0.921	0.972	0.858	0.992	0.991
Compound_217	OCC1CC2CC1C1C2C(CC1)CO	0.928	0.26	0.053	0.342	0.568	0.788	0.162	0.128	0.277	0.321	0.392
Compound_218	OC1CCc2c(C1)cccc2	0.275	0.388	0.292	0.535	0.129	0.144	0.952	0.075	0.271	0.961	0.459
Compound_219	CC(c1scc(n1)CN(C(=O)N[C@H]1CCOC1=O)C)C	0.209	0.435	0.125	0.294	0.234	0.47	0.016	0.642	0.367	0.006	0.279
Compound_220	Brc1ccc(c(c1)N)N	0.958	0.353	0.943	0.605	0.293	0.652	0.988	0.98	0.75	0.994	0.532
Compound_221	CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1	0.777	0.71	0.989	0.85	0.433	0.098	0.994	0.972	0.491	0.739	0.802
Compound_222	SCCC(CCCCC(=O)O)S	0.457	0.217	0.037	0.116	0.276	0.126	0.893	0.329	0.187	0.044	0.185
Compound_223	CCCCCCCCCCCC(=O)OCC(C=NCCOCCO)(C)C	0.41	0.096	0.73	0.72	0.124	0.289	0.857	0.655	0.079	0.04	0.124
Compound_224	CCCCOC(=O)CCP1(=O)Oc2ccccc2c2c1cccc2	0.692	0.594	0.851	0.789	0.892	0.463	0.786	0.951	0.699	0.991	0.891
Compound_225	COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC	0.515	0.458	0.035	0.228	0.555	0.65	0.37	0.38	0.365	0.607	0.426
Compound_226	O=C1CCCc2c1cccc2	0.841	0.572	0.8	0.464	0.082	0.339	0.902	0.596	0.662	0.981	0.928
Compound_227	COc1ccc2c(c1)CCCC2=CCC1(C)C(=O)CCC1=O	0.897	0.836	0.66	0.669	0.681	0.9	0.311	0.88	0.339	0.933	0.985
Compound_228	CC(CC1OCC(C(C1O)O)O)O	0.821	0.239	0.026	0.502	0.106	0.135	0.335	0.516	0.248	0.108	-0.001
Compound_229	Clc1ccccc1C(F)(F)F	0.953	0.21	0.617	0.655	0.404	0.089	0.998	0.965	0.793	1.0	0.484
Compound_230	CNC1C(O)C2OC3OC(C)CC(=O)C3(OC2C(C1O)NC)O	0.053	0.661	0.005	0.253	0.13	0.261	0.001	0.051	0.151	0.028	0.149
Compound_231	C=CC(OC(=O)C)COC(=O)C	0.9	0.054	0.521	0.744	0.709	0.199	0.997	0.994	0.901	0.976	0.905
Compound_232	OCCCCCCCCCCCCCCCC(C)C	0.928	0.097	0.477	0.527	0.084	0.144	0.977	0.164	0.06	0.264	0.356
Compound_233	OCC(c1ccccc1)CO	0.1	0.164	0.29	0.46	0.047	0.087	0.834	0.264	0.174	0.049	0.135
Compound_234	O=N(=O)c1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)N(=O)=O	0.903	0.382	0.97	0.375	0.678	0.653	0.99	0.929	0.464	0.262	0.298
Compound_235	CCc1c(Cl)cc(c(c1Cl)O)N	0.725	0.539	0.856	0.555	0.648	0.42	0.992	0.965	0.831	0.649	0.923
Compound_236	O=C=Nc1ccc(cc1C)c1ccc(c(c1)C)N=C=O	0.854	0.75	0.953	0.773	0.671	0.923	0.998	0.955	0.837	0.806	0.716
Compound_237	O=C(N1CCN(CC1)c1ccc(nc1)N(=O)=O)OC(C)(C)C	0.079	0.593	0.039	0.525	0.077	0.372	0.004	0.383	0.32	0.824	0.387
Compound_238	CC(c1ccccc1)N	0.377	0.103	0.487	0.523	0.007	0.228	0.041	0.027	0.616	0.903	0.061
Compound_239	C=CCOC(=O)CC(=O)C	0.915	0.07	0.479	0.661	0.478	0.122	0.996	0.998	0.453	0.997	0.842
Compound_240	CCCCCCCCCCCCCCCCOC(=O)C(O)C	0.857	0.037	0.037	0.704	0.112	0.317	0.983	0.51	0.466	0.759	0.625
Compound_241	CCCO	0.625	0.08	0.103	0.483	0.044	0.039	0.908	0.111	0.246	0.542	0.685
Compound_242	Clc1ncnc(c1)Cl	0.559	0.232	0.985	0.623	0.224	0.354	0.394	0.969	0.986	0.641	0.057
Compound_243	O=Cc1ccc2c(c1)OCO2	0.65	0.301	0.893	0.554	0.175	0.696	0.976	0.406	0.465	0.932	0.837
Compound_244	CCOC(=O)c1ccc(cc1)N	0.192	0.227	0.995	0.659	0.066	0.898	0.988	0.005	0.551	0.042	0.527
Compound_245	CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)cccc2	0.053	0.517	0.355	0.356	0.688	0.736	0.99	0.961	0.444	0.991	0.942
Compound_246	CCCCC(COCC(CO)O)CC	0.879	0.463	0.018	0.502	0.08	0.132	0.632	0.009	0.168	0.868	0.168
Compound_247	C=CC(=O)OCCN(C)C	0.268	0.087	0.016	0.278	0.447	0.06	0.082	0.982	0.477	0.12	0.348
Compound_248	CC(CCCCCCc1ccc(cc1)O)C	0.934	0.145	0.769	0.556	0.61	0.847	0.392	0.713	0.291	0.757	0.329
Compound_249	CCCCN(CC(c1cc(Cl)cc2c1c1ccc(cc1C2=Cc1ccc(cc1)Cl)Cl)O)CCCC	0.554	0.476	0.865	0.328	0.715	0.918	0.008	0.185	0.404	0.88	0.458
Compound_250	ClS(=O)Cl	0.891	0.176	0.407	0.641	0.703	0.076	0.908	1.0	0.942	1.0	0.692
Compound_251	N#CCCCCCCC#N	0.982	0.235	0.183	0.53	0.408	0.136	0.987	0.975	0.764	0.992	0.883
Compound_252	CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(C(C(C(C1(C)O)O)C)N)C)(C)O	0.026	0.653	-0.0	0.165	0.208	0.304	0.005	0.147	0.143	0.062	0.133
Compound_253	OC(=O)CCC(P(=O)(O)O)(C(=O)O)CC(=O)O	0.127	0.107	0.02	0.095	0.168	0.103	0.255	0.005	0.384	0.039	0.076
Compound_254	CCc1nc(N)nc(c1c1ccc(cc1)Cl)N	0.62	0.64	0.36	0.478	0.559	0.898	0.28	0.938	0.505	0.025	0.105
Compound_255	CCCN(C(=O)C(NC(=O)c1ccccc1)Cc1ccc(cc1)OCCN(CC)CC)CCC	0.113	0.517	0.18	0.47	0.101	0.911	0.042	0.234	0.107	0.282	0.17
Compound_256	OC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	0.08	0.294	0.013	0.163	0.16	0.098	0.001	0.168	0.166	0.001	0.072
Compound_257	CN1CC2CC1CC2	0.567	0.46	0.036	0.064	0.1	0.334	0.007	0.062	0.368	0.027	0.042
Compound_258	OCCNC(=O)c1c(C)n(=O)c2c(n1=O)cccc2	0.245	0.507	0.078	0.283	0.45	0.134	0.006	0.038	0.172	0.162	0.657
Compound_259	Nc1cc(cc(c1O)Cl)N(=O)=O	0.781	0.147	0.837	0.556	0.598	0.41	0.981	0.988	0.679	0.835	0.938
Compound_260	CC(CC(C)(C)C)CC(=O)O	0.452	0.014	0.02	0.113	0.128	0.013	0.609	0.17	0.121	0.053	0.197
Compound_261	CC(CC(=O)O)C	0.364	0.026	0.009	0.133	0.044	0.001	0.955	0.024	0.132	0.025	0.154
Compound_262	OCCOc1nn2c(c1N(=O)=O)cccc2	0.317	0.509	0.049	0.484	0.579	0.549	0.063	0.294	0.271	0.199	0.552
Compound_263	O=C(CCC(=O)N(CCCCCNC(=O)OCc1ccccc1)O)NCCCCCN(C(=O)C)O	0.119	0.336	0.019	0.268	0.033	0.576	0.016	0.572	0.41	0.117	0.584
Compound_264	NNc1cc(ccc1OC)c1ccccc1	0.641	0.697	0.936	0.764	0.344	0.718	0.996	0.971	0.787	0.957	0.5
Compound_265	O[C@H]1C[C@H](O)C(=C)C(=CC=C2CCC[C@]3(C2CC[C@@H]3[C@@H](C=C[C@H](C2CC2)O)C)C)C1	0.95	1.0	0.299	0.782	0.954	0.872	0.263	0.987	0.454	0.958	0.809
Compound_266	Oc1ccc(cc1)C1(c2ccc(cc2)O)c2ccccc2c2c1cccc2	0.957	0.82	0.921	0.805	1.003	0.997	0.763	0.987	0.685	0.936	0.987
Compound_267	CCOC(=O)C1CCC(=O)CC1	0.756	0.168	0.369	0.596	0.002	0.015	0.986	0.138	0.27	0.967	0.566
Compound_268	CCOC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)C	0.682	0.638	0.891	0.53	0.586	0.819	0.905	0.958	0.415	0.79	0.486
Compound_269	CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@H]2CCN1C[C@@H]2C=C	0.307	0.749	0.697	0.443	0.525	0.565	0.146	0.3	0.388	0.311	0.52
Compound_270	OCCN1CCNC1=O	0.007	0.182	0.03	0.263	0.024	0.006	0.0	0.022	0.179	0.01	0.123
Compound_271	OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O	0.035	0.296	0.028	0.278	0.068	0.413	0.038	0.0	0.449	0.022	0.048
Compound_272	CC(CC(C)(C)C)Cc1cc(C)cc(=O)n1O	0.576	0.777	0.092	0.373	0.785	0.898	0.282	0.164	0.433	0.016	0.918
Compound_273	CCOC(=O)CN(C(=O)Oc1n2NC(Nc2c(c1C#N)C(=O)O)(c1ccc(cc1)C(C)(C)C)C1CC(C)CCC1(C(C)(C)C)C(C)(C)C)CC(=O)OCC	0.691	0.784	0.284	0.479	0.624	0.666	0.953	0.218	0.387	0.968	0.757
Compound_274	OCCCN1CCOC1=O	0.022	0.227	0.067	0.598	0.035	0.059	0.045	0.111	0.131	0.004	0.122
Compound_275	COC(=O)CCCCCCCC(=O)OC	0.912	0.002	0.296	0.58	0.057	0.013	0.985	0.948	0.196	0.913	0.84
Compound_276	CCCCCCC=CC1CC(=O)OC1=O	0.908	0.189	0.483	0.658	0.422	0.03	0.998	0.996	0.847	0.999	0.798
Compound_277	COC(=O)c1ccc(cc1)O	0.815	0.116	0.841	0.615	0.82	0.866	0.837	0.008	0.964	0.025	0.055
Compound_278	FC1(F)OC(C(C1(F)F)(F)F)(F)F	0.932	0.356	0.912	0.627	0.276	0.05	0.977	0.956	0.437	0.998	0.799
Compound_279	C[NH+]1CCc2c(C1)c1ccccc1n2Cc1ccccc1	0.382	0.529	0.845	0.483	0.633	0.866	0.657	0.517	0.257	0.01	0.154
Compound_280	CCCc1nn(c2c1nc([nH]c2=S)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C	0.632	0.807	0.012	0.293	0.281	0.666	0.032	0.531	0.343	0.512	0.156
Compound_281	OCC1CCCO1	0.614	0.186	0.021	0.478	0.092	0.191	0.786	0.24	0.212	0.337	0.348
Compound_282	OP(=O)(c1ccccc1)c1ccccc1	0.55	0.364	0.165	0.29	0.755	0.074	0.999	0.003	0.915	0.951	0.832
Compound_283	Nc1ccc(cc1)C(=O)Nc1cccc(c1)N	0.819	0.739	0.98	0.761	0.147	0.876	0.927	0.077	0.886	0.846	0.9
Compound_284	CCN(c1cccc(c1)O)CC	0.664	0.555	0.843	0.616	0.541	0.068	0.079	0.626	0.228	0.318	0.446
Compound_285	CCCCSP(=O)(SCCCC)SCCCC	0.825	0.065	0.346	0.585	0.172	0.055	0.991	0.451	0.74	1.0	0.833
Compound_286	Brc1c(COCc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br	0.875	0.472	0.49	0.538	0.611	0.27	0.998	0.806	0.489	0.999	0.957
Compound_287	COc1cc(Cl)c(cc1Cl)OC	0.875	0.179	0.822	0.695	0.6	0.458	0.955	0.077	0.715	0.965	0.641
Compound_288	O=C(N1c2ccccc2Sc2c1nccc2)OCCOCCN1CCCCC1	0.538	0.571	0.043	0.125	0.693	0.363	0.296	0.148	0.371	0.403	0.383
Compound_289	Clc1ccc(c(c1)Cl)Cl	0.974	0.088	0.849	0.629	0.175	0.465	0.998	0.925	0.76	0.999	0.279
Compound_290	CCN(c1ccc2c(c1)Oc1c(C2(O)c2ccccc2C(=O)O)cc(c(c1)C)Nc1ccccc1)CCC(C)C	0.519	0.737	0.355	0.389	0.985	0.763	0.985	0.563	0.431	0.535	0.775
Compound_291	CCC1COC(N1)(C)CCC(C)C	0.061	0.461	0.683	0.289	0.028	0.077	0.004	0.013	0.126	0.831	0.35
Compound_292	O=C(NS(=O)(=O)c1c(C)cccc1C(=O)O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C	0.339	0.408	0.051	0.354	0.224	0.636	0.117	0.793	0.387	0.407	0.583
Compound_293	Clc1c(O)cccc1Cl	0.941	0.149	0.934	0.653	0.792	0.602	0.841	0.979	0.884	0.994	0.918
Compound_294	OCC=C(CCC=C(C)C)C	0.373	0.143	0.206	0.44	0.192	0.048	0.085	0.129	0.511	0.12	0.894
Compound_295	CCCCOCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCOCCCC	0.789	0.013	0.185	0.77	0.155	0.275	0.985	0.59	0.363	0.996	0.862
Compound_296	NCCCN(C)C	0.049	0.179	0.0	0.138	0.006	0.007	0.001	0.22	0.215	0.071	0.109
Compound_297	COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O	0.915	0.948	0.977	0.903	0.905	0.949	0.995	0.968	0.873	0.037	0.964
Compound_298	C=CCn1c(=O)n(CC(CBr)Br)c(=O)n(c1=O)CC(CBr)Br	0.246	0.329	0.365	0.671	0.328	0.511	0.025	0.993	0.294	0.307	0.698
Compound_299	COc1cc(cc(c1OC)OC)C(=O)O	0.354	0.176	0.224	0.284	0.538	0.164	0.726	0.085	0.649	0.193	0.175
Compound_300	ClCS(=O)(=O)Nc1cc(Cl)c(cc1Oc1ccc(cc1Cl)Cl)Cl	0.675	0.639	0.952	0.744	0.569	0.754	0.959	0.968	0.523	0.543	0.773