Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1	0.796	0.751	0.487	0.565	0.683	0.774	0.946	0.446	0.914	0.157	0.918
Compound_2	NCCSS(=O)(=O)O	0.085	0.072	0.006	0.202	0.12	0.154	0.002	0.013	0.093	0.006	0.505
Compound_3	Clc1ccc2c(c1)C(=NCC(=O)N2CC1CC1)c1ccccc1	0.952	0.671	0.588	0.684	0.734	0.898	0.932	0.791	0.796	0.459	0.918
Compound_4	CCCCCCCCCCCCOc1ccc(c(c1)O)C(=O)c1ccccc1	0.933	0.693	0.832	0.782	0.971	0.977	0.931	0.875	0.695	0.875	0.971
Compound_5	ClCCN(C(=O)Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C)CCCl	0.952	0.771	0.012	0.655	0.968	0.935	0.144	0.911	0.108	0.564	0.642
Compound_6	CC1OC(C(C1O)O)n1cc(F)c(=O)[nH]c1=O	0.703	0.246	0.01	0.332	0.219	0.089	0.05	0.054	0.287	0.18	0.621
Compound_7	OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl	0.062	0.521	0.013	0.241	0.781	0.517	0.027	0.616	0.057	0.987	0.117
Compound_8	Oc1ccc(cc1n1nc2c(n1)cccc2)C(CC(C)(C)C)(C)C	0.452	0.773	0.519	0.631	0.385	0.906	0.88	0.162	0.773	0.81	0.72
Compound_9	OC(=O)c1ccccc1C(=O)O	0.67	0.08	0.448	0.337	0.08	0.028	0.968	0.074	0.587	0.083	0.393
Compound_10	COc1cc(C)cc(c1)O	0.848	0.148	0.906	0.698	0.465	0.03	0.76	0.105	0.843	0.09	0.198
Compound_11	CCNC(Cc1cccc(c1)C(F)(F)F)C	0.049	0.263	0.105	0.308	0.03	0.098	0.027	0.02	0.058	0.4	0.082
Compound_12	ClC(=O)C(C)(C)C	0.925	0.087	0.402	0.643	0.058	0.064	0.997	0.998	0.367	0.996	0.939
Compound_13	Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl	0.973	0.582	0.688	0.721	0.093	0.465	0.837	0.759	0.724	0.991	0.995
Compound_14	OCC1OC(O)C(C(C1O)O)N	0.038	0.355	0.007	0.343	0.011	0.112	0.001	0.32	0.125	0.009	0.067
Compound_15	OCCC(CC(C)(C)C)C	0.762	0.144	0.117	0.401	0.085	0.077	0.759	0.212	0.192	0.145	0.5
Compound_16	OC(=O)C1N2C(=O)C(C2SC1(C)C)NC(=O)C1(N)CCCCC1	0.051	0.366	-0.0	0.074	0.256	0.067	0.002	0.01	0.166	0.012	0.085
Compound_17	CCCCCOC(=O)C=Cc1ccccc1	0.977	0.163	0.481	0.836	0.238	0.415	0.993	0.957	0.648	0.993	0.696
Compound_18	OC(=O)C1N2C(=O)C(C2SC1(C)C)N1C(=O)C(NC1(C)C)c1ccccc1	0.151	0.258	0.007	0.215	0.299	0.122	0.034	0.019	0.145	0.508	0.084
Compound_19	CC(CC(O)(C)C)OC(C(Cl)(Cl)Cl)O	0.859	0.062	0.061	0.638	0.04	0.163	0.752	0.403	0.314	0.221	0.576
Compound_20	CC1N=C(OC1c1ccccc1)N	0.146	0.332	0.27	0.438	0.005	0.183	0.009	0.238	0.275	0.009	0.183
Compound_21	O=CCC(CCCC(OC)(C)C)C	0.906	0.044	0.031	0.394	0.077	0.217	0.97	0.601	0.285	0.957	0.828
Compound_22	CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC	0.966	0.108	0.591	0.596	0.09	0.108	0.993	0.27	0.756	0.995	0.825
Compound_23	CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC	0.956	0.108	0.591	0.596	0.09	0.108	0.993	0.27	0.715	0.995	0.825
Compound_24	CCOC(=O)C1(CCN(CC1)CCOCc1ccccc1)c1ccccc1	0.134	0.603	0.061	0.232	0.157	0.105	0.051	0.109	0.255	0.027	0.21
Compound_25	O=C(N(c1ccc(cc1)OC(=O)c1ccco1)C)C(Cl)Cl	0.053	0.536	0.247	0.334	0.714	0.589	0.872	0.365	0.441	0.653	0.54
Compound_26	CC(N(C(C)C)CCC(c1ccccn1)(c1ccccc1)C(=O)N)C	0.071	0.515	0.004	0.095	0.033	0.279	0.001	0.011	0.311	0.008	0.061
Compound_27	ClCCNP1(=O)OCCCN1CCCl	0.053	0.278	0.16	0.356	0.397	0.124	0.001	0.994	0.8	0.049	0.087
Compound_28	Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)n1nc2c(n1)cccc2	0.312	0.775	0.811	0.662	0.285	0.901	0.563	0.259	0.827	0.955	0.792
Compound_29	COc1ccc2c3c1OC1C43CCN(C(C2)C4CCC1OC(=O)C)C	0.676	0.747	0.006	0.149	0.262	0.236	0.128	0.083	0.192	0.551	0.698
Compound_30	Clc1ccc2c(c1)nn(n2)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C	0.261	0.788	0.763	0.655	0.099	0.841	0.717	0.269	0.82	0.985	0.859
Compound_31	Clc1ccc2c(c1)nn(n2)c1cc(C)cc(c1O)C(C)(C)C	0.196	0.788	0.843	0.644	0.093	0.842	0.584	0.64	0.879	0.985	0.859
Compound_32	Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1F	0.885	0.725	0.947	0.789	0.682	0.895	0.95	0.272	0.763	0.128	0.621
Compound_33	Cc1cc2c(o1)c(C)c1c(c2)c(C)cc(=O)o1	0.053	0.639	0.976	0.407	0.108	0.727	0.024	0.88	0.635	0.956	0.979
Compound_34	CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C	0.034	0.384	0.02	0.107	0.056	0.236	0.001	0.002	0.344	0.006	0.398
Compound_35	CN1CCC(=C2c3ccccc3CCc3c2nccc3)CC1	0.056	0.753	0.043	0.071	0.093	0.732	0.001	0.005	0.584	0.008	0.211
Compound_36	COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccccc1	0.648	0.559	0.885	0.524	0.093	0.098	0.942	0.049	0.499	0.478	0.145
Compound_37	O=C=NS(=O)(=O)c1ccc(cc1)C	0.397	0.337	0.865	0.656	0.167	0.106	0.883	0.541	0.389	0.516	0.183
Compound_38	CC(OC(=O)c1ccc(cc1)O)C	0.598	0.104	0.94	0.698	0.853	0.898	0.764	0.058	0.914	0.026	0.027
Compound_39	Clc1cccc(c1NC1=NCCN1)Cl	0.26	0.382	0.106	0.271	0.258	0.515	0.002	0.006	0.175	0.002	0.072
Compound_40	CC(COC(=O)c1ccc(cc1)O)C	0.537	0.129	0.842	0.7	0.879	0.921	0.814	0.017	0.63	0.011	0.022
Compound_41	OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N	0.346	0.511	0.431	0.256	0.541	0.641	0.019	0.08	0.061	0.003	0.141
Compound_42	CCC1C2CC3N(C1O)C1C2C(O)C2(C3N(C)c3c2cccc3)C1	0.422	0.691	0.015	0.312	0.406	0.486	0.002	0.464	0.266	0.088	0.594
Compound_43	OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F	0.282	0.696	0.454	0.675	0.293	0.79	0.984	0.752	0.286	0.004	0.404
Compound_44	OCC=Cc1ccccc1	0.801	0.134	0.355	0.646	0.073	0.302	0.975	0.739	0.683	0.242	0.577
Compound_45	CSCC(=O)OCC	0.597	0.074	0.634	0.617	0.101	0.037	0.983	0.754	0.531	0.962	0.913
Compound_46	O=C(C(c1ccccc1)C(=O)O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C	0.044	0.164	-0.0	0.061	0.186	0.068	0.007	0.014	0.085	0.043	0.064
Compound_47	COC(=O)c1c(C)cc(c(c1O)C)O	0.745	0.202	0.878	0.505	0.776	0.953	0.702	0.156	0.824	0.225	0.248
Compound_48	O=C1CCC2C(=C1O)CCC1C2CCC2(C1CCC2O)C	0.961	0.99	0.043	0.782	0.687	0.884	0.009	0.922	0.048	0.857	0.035
Compound_49	CC(Cc1ccc2c(c1)OCO2)N	0.23	0.304	0.88	0.456	0.015	0.427	0.008	0.074	0.275	0.501	0.301
Compound_50	CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2	0.053	0.553	0.037	0.096	0.44	0.235	0.017	0.003	0.374	0.007	0.087
Compound_51	NC(=NN=Cc1c(Cl)cccc1Cl)N	0.394	0.421	0.071	0.388	0.379	0.391	0.034	0.014	0.31	0.068	0.128
Compound_52	c1ccc2c(c1)c(ccc2c1nc2c(o1)cccc2)c1nc2c(o1)cccc2	0.296	0.68	0.991	0.885	0.802	0.644	0.989	0.731	0.96	0.914	0.957
Compound_53	OC(=O)C(c1ccc(c(c1)F)c1ccccc1)C	0.053	0.205	0.073	0.247	0.138	0.085	0.964	0.022	0.292	0.66	0.087
Compound_54	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_55	O=C(c1ccccc1)OCC=Cc1ccccc1	0.735	0.747	0.932	0.782	0.27	0.801	0.999	0.579	0.891	0.927	0.919
Compound_56	CC(C1OCC=CCO1)C	0.856	0.16	0.389	0.551	0.473	0.209	0.993	0.989	0.68	0.999	0.845
Compound_57	CCCCC(COC(=O)C=Cc1ccc(cc1)OC)CC	0.97	0.35	0.272	0.835	0.586	0.876	0.952	0.107	0.854	0.998	0.736
Compound_58	COCc1ccc(c(c1)OC)O	0.617	0.133	0.534	0.668	0.607	0.023	0.793	0.051	0.529	0.796	0.258
Compound_59	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_60	CN1CCN(CC1)CCC=C1c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C	0.053	0.648	0.006	0.227	0.197	0.585	0.006	0.137	0.318	0.296	0.212
Compound_61	COCc1ccc(c(c1)OCC)O	0.469	0.173	0.621	0.695	0.694	0.026	0.7	0.75	0.266	0.904	0.31
Compound_62	CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC	0.207	0.429	0.083	0.117	0.096	0.587	0.003	0.02	0.255	0.019	0.087
Compound_63	CN(CCC1=C(C(c2ccccn2)C)c2c(C1)cccc2)C	0.225	0.75	0.005	0.108	0.155	0.516	0.002	0.027	0.504	0.003	0.087
Compound_64	CNCCc1ccccn1	0.02	0.256	0.072	0.233	0.032	0.215	0.001	0.089	0.651	0.002	0.016
Compound_65	Oc1[nH]c2c(c1O)cccc2	0.873	0.544	0.818	0.512	0.706	0.645	0.723	0.778	0.899	0.724	0.881
Compound_66	CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2	0.053	0.869	0.118	0.103	0.595	0.573	0.962	0.054	0.766	0.085	0.087
Compound_67	O=CCC(CCCC(C)C)C	0.967	0.029	0.725	0.436	0.056	0.197	0.993	0.588	0.169	0.997	0.841
Compound_68	CC1=CC(=O)C(CC1)C(C)C	0.98	0.307	0.851	0.658	0.121	0.025	0.121	0.847	0.562	0.997	0.741
Compound_69	CCCCC(COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC	0.952	0.671	0.071	0.635	0.909	0.575	0.995	0.918	0.594	0.992	0.943
Compound_70	CCCCCCOC(=O)c1ccccc1O	0.696	0.381	0.151	0.661	0.378	0.132	0.087	0.4	0.59	0.877	0.786
Compound_71	CCOC(=O)CC1(C)OCC(O1)C	0.765	0.279	0.363	0.644	0.194	0.06	0.99	0.832	0.329	0.996	0.909
Compound_72	CCOC(=O)CC1(C)OCCO1	0.751	0.325	0.407	0.644	0.166	0.076	0.985	0.697	0.305	0.988	0.873
Compound_73	CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC	0.807	0.078	0.671	0.583	0.093	0.499	0.968	0.013	0.767	0.992	0.729
Compound_74	C=CCOc1ccccc1OCC(CNC(C)C)O	0.011	0.24	0.014	0.12	0.052	0.012	0.005	0.05	0.279	0.025	0.044
Compound_75	CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C	0.053	0.544	0.012	0.226	0.132	0.294	0.001	0.008	0.473	0.004	0.114
Compound_76	C1CCC(NC1)CC(C1CCCCC1)C1CCCCC1	0.321	0.191	0.01	0.256	0.098	0.627	0.09	0.013	0.95	0.037	0.012
Compound_77	COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccccc1	0.648	0.559	0.885	0.524	0.093	0.098	0.942	0.049	0.499	0.478	0.145
Compound_78	O=CC(Cc1ccc(cc1)CC(C)C)C	0.655	0.092	0.435	0.533	0.045	0.289	0.965	0.299	0.751	0.971	0.306
Compound_79	OC(COc1ccc(cc1)NC(=O)C)CNC(C)C	0.022	0.466	0.002	0.221	0.245	0.134	0.001	0.0	0.186	0.002	0.028
Compound_80	COC(=O)NN=Cc1cn(O)c2c(n1O)cccc2	0.403	0.644	0.994	0.49	0.291	0.377	0.008	0.702	0.408	0.099	0.841
Compound_81	CC1(C)C2CCC3(C1C2)CO3	0.968	0.458	0.035	0.449	0.757	0.625	0.467	0.215	0.436	0.982	0.869
Compound_82	C=CC(OC(=O)Cc1ccccc1)(CCC=C(C)C)C	0.601	0.169	0.392	0.661	0.154	0.119	0.963	1.0	0.392	0.996	0.683
Compound_83	CCCCCCCCCCCC1CCCC(=O)O1	0.875	0.273	0.104	0.58	0.122	0.052	0.997	0.13	0.199	0.988	0.213
Compound_84	CCCCCCCCC1CCCC(=O)O1	0.875	0.273	0.104	0.58	0.088	0.035	0.993	0.13	0.199	0.988	0.213
Compound_85	C=CC1(C)CCCC(O1)(C)C	0.989	0.113	0.072	0.642	0.363	0.138	0.651	0.987	0.67	0.965	0.458
Compound_86	CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1	0.379	0.572	0.055	0.155	0.282	0.634	0.014	0.39	0.196	0.826	0.485
Compound_87	Cc1ccc2c(c1)nc(o2)c1ccccc1	0.206	0.618	0.987	0.807	0.605	0.611	0.44	0.982	0.956	0.911	0.911
Compound_88	O=CC(C(C(C(CO)O)O)O)NC(=O)C	0.011	0.058	0.012	0.298	0.05	0.098	0.002	0.004	0.115	0.009	0.069
Compound_89	OCCC(CCC=C(C)C)C	0.875	0.145	0.187	0.535	0.093	0.027	0.28	0.369	0.138	0.247	0.846
Compound_90	CCCCC(=O)OCCC(CCC=C(C)C)C	0.863	0.031	0.48	0.716	0.166	0.008	0.951	0.915	0.371	1.0	0.971
Compound_91	Cc1c[nH]nc1	0.61	0.282	0.027	0.424	0.389	0.507	0.006	0.126	0.809	0.501	0.594
Compound_92	CC(NCC(c1ccc(c(c1)O)O)O)C	0.023	0.186	0.003	0.013	0.056	0.005	0.0	0.015	0.128	0.004	0.009
Compound_93	CC(=C)C1CCC(C(=O)C1)C	0.96	0.266	0.204	0.521	0.12	0.008	0.823	0.98	0.505	1.0	0.85