Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	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_2	Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O	0.735	0.516	0.452	0.686	0.468	0.661	0.576	0.434	0.582	0.756	0.348
Compound_3	Cc1ccc(cc1)/C=C/1\C(=O)C2(C(C1CC2)(C)C)C	0.969	0.634	0.207	0.513	0.243	0.555	0.084	0.611	0.262	0.998	0.888
Compound_4	Cc1ccc(cc1)/C=C\1/C(=O)C2(C(C1CC2)(C)C)C	0.969	0.634	0.207	0.513	0.243	0.555	0.084	0.611	0.262	0.998	0.888
Compound_5	Cc1ccc(cc1)/C=C\1/C(=O)[C@]2(C([C@@H]1CC2)(C)C)C	0.969	0.634	0.207	0.513	0.243	0.555	0.084	0.611	0.262	0.998	0.888
Compound_6	Cc1ccc(cc1)/C=C\1/C(=O)[C@@]2(C([C@H]1CC2)(C)C)C	0.969	0.634	0.207	0.513	0.243	0.555	0.084	0.611	0.262	0.998	0.888
Compound_7	Cc1ccc(cc1)C=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C	0.969	0.634	0.207	0.513	0.243	0.555	0.084	0.611	0.262	0.998	0.888
Compound_8	Cc1ccc(cc1)/C=C/1\C(=O)[C@@]2(C([C@H]1CC2)(C)C)C	0.969	0.634	0.207	0.513	0.243	0.555	0.084	0.611	0.262	0.998	0.888
Compound_9	CCC(C(C(CCc1ccc(cc1)O)C)C)C	0.93	0.194	0.332	0.571	0.699	0.844	0.807	0.785	0.719	0.939	0.618
Compound_10	CCC(CC(CC(CCc1ccc(cc1)O)C)C)C	0.934	0.202	0.332	0.543	0.713	0.904	0.812	0.79	0.736	0.982	0.733
Compound_11	CC(CCCCCCCCCc1ccc(cc1)O)C	0.934	0.145	0.769	0.556	0.713	0.904	0.812	0.713	0.291	0.757	0.329
Compound_12	CCCC(C(Cc1ccc(cc1)O)C)C(CCC)C	0.93	0.202	0.252	0.598	0.699	0.844	0.807	0.794	0.74	0.982	0.733
Compound_13	C=Cc1cc(C=C)c(c(c1C=C)O)C=C	0.879	0.347	0.847	0.641	0.199	0.18	0.783	0.99	0.892	0.978	0.529
Compound_14	CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.951	0.82	0.502	0.646	0.967	0.99	0.969	0.949	0.535	0.794	0.918
Compound_15	CCCCOC(=O)c1ccc(cc1)O	0.656	0.185	0.893	0.718	0.872	0.915	0.829	0.089	0.95	0.016	0.191
Compound_16	CCCCCCCCCc1ccccc1OP(Oc1ccccc1CCCCCCCCC)Oc1ccccc1CCCCCCCCC	0.784	0.624	0.509	0.603	0.913	0.437	0.891	0.97	0.955	0.999	0.765
Compound_17	CCCCCCCCCc1ccc(cc1)OP(Oc1ccc(cc1)CCCCCCCCC)Oc1ccc(cc1)CCCCCCCCC	0.889	0.593	0.509	0.66	0.971	0.745	0.619	0.973	0.891	0.999	0.699
Compound_18	CCCCCCCC(c1ccc(cc1)OP(O)O)C	0.776	0.313	0.189	0.59	0.539	0.08	0.704	0.393	0.532	0.976	0.495
Compound_19	CC(c1ccc(cc1)O)(C)C	0.922	0.067	0.672	0.592	0.649	0.857	0.643	0.197	0.81	0.701	0.211
Compound_20	O=C1C(=Cc2ccccc2)C2C(C1(C)CC2)(C)C	0.962	0.634	0.245	0.514	0.258	0.554	0.077	0.64	0.206	0.998	0.888
Compound_21	O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1	0.935	0.372	0.314	0.527	0.5	0.539	0.996	0.116	0.52	0.968	0.692
Compound_22	CCC(c1ccc(cc1)O)(C)C	0.87	0.105	0.399	0.586	0.743	0.902	0.823	0.145	0.755	0.776	0.264
Compound_23	CCCCCCCc1ccc(cc1)O	0.93	0.137	0.355	0.573	0.595	0.836	0.416	0.949	0.925	0.978	0.723
Compound_24	CCC(c1ccc(cc1)O)(CC)CC	0.898	0.178	0.399	0.569	0.743	0.902	0.823	0.109	0.758	0.774	0.527
Compound_25	CCCCC(c1ccc(cc1)O)(C)C	0.925	0.181	0.388	0.596	0.743	0.902	0.823	0.534	0.787	0.688	0.45
Compound_26	CCC(C(c1ccc(cc1)O)C)(C)C	0.806	0.139	0.368	0.512	0.753	0.907	0.823	0.869	0.598	0.742	0.337
Compound_27	CCCC(C(c1ccc(cc1)O)C)C	0.882	0.133	0.263	0.519	0.648	0.725	0.813	0.827	0.535	0.735	0.425
Compound_28	CC(c1ccc(cc1)O)CC(C)(C)C	0.857	0.085	0.475	0.494	0.753	0.907	0.823	0.823	0.449	0.65	0.124
Compound_29	CCC(CC(c1ccc(cc1)O)C)C	0.882	0.138	0.254	0.512	0.648	0.725	0.813	0.729	0.442	0.787	0.377
Compound_30	CC(c1ccc(cc1)O)CCC(C)C	0.882	0.13	0.767	0.512	0.648	0.725	0.813	0.801	0.129	0.384	0.086
Compound_31	CCC(C(C)(C)C)c1ccc(cc1)O	0.834	0.153	0.255	0.539	0.753	0.907	0.823	0.869	0.505	0.742	0.374
Compound_32	CCCC(c1ccc(cc1)O)(CC)C	0.885	0.214	0.281	0.526	0.743	0.902	0.823	0.199	0.613	0.919	0.756
Compound_33	CCCCC(c1ccc(cc1)O)CC	0.91	0.154	0.153	0.536	0.648	0.725	0.813	0.98	0.498	0.972	0.749
Compound_34	CCCCCC(c1ccc(cc1)O)C	0.916	0.114	0.266	0.546	0.648	0.725	0.813	0.981	0.459	0.88	0.569
Compound_35	CCCC(c1ccc(cc1)O)CCC	0.86	0.14	0.266	0.529	0.648	0.725	0.813	0.928	0.564	0.964	0.629
Compound_36	CCC(CCc1ccc(cc1)O)CC	0.873	0.141	0.332	0.577	0.61	0.847	0.392	0.818	0.724	0.857	0.568
Compound_37	CCCC(CCc1ccc(cc1)O)C	0.901	0.154	0.343	0.544	0.61	0.847	0.392	0.769	0.739	0.972	0.749
Compound_38	CCC(CCCc1ccc(cc1)O)C	0.901	0.154	0.252	0.534	0.61	0.847	0.392	0.567	0.751	0.972	0.749
Compound_39	CC(CCCCc1ccc(cc1)O)C	0.901	0.114	0.769	0.556	0.61	0.847	0.392	0.713	0.25	0.497	0.18
Compound_40	CC(C(c1ccc(cc1)O)C(C)C)C	0.834	0.081	0.69	0.58	0.648	0.725	0.813	0.765	0.375	0.671	0.129
Compound_41	CCC(c1ccc(cc1)O)(C(C)C)C	0.898	0.139	0.279	0.56	0.753	0.907	0.823	0.106	0.511	0.742	0.337
Compound_42	CCC(C(c1ccc(cc1)O)(C)C)C	0.876	0.139	0.15	0.579	0.753	0.907	0.823	0.069	0.666	0.742	0.337
Compound_43	CC(CC(c1ccc(cc1)O)(C)C)C	0.876	0.085	0.88	0.598	0.753	0.907	0.823	0.101	0.579	0.65	0.124
Compound_44	CC(C(C)(C)C)(c1ccc(cc1)O)C	0.885	0.067	0.585	0.597	0.743	0.902	0.823	0.159	0.81	0.701	0.211
Compound_45	CCC(c1ccc(cc1)O)CC(C)C	0.818	0.133	0.696	0.527	0.648	0.725	0.813	0.797	0.31	0.756	0.308
Compound_46	CC(c1ccc(cc1)O)(c1ccc(cc1)O)C	0.976	0.629	0.722	0.637	0.948	0.983	0.981	0.957	0.711	0.747	0.875
Compound_47	CCCCCCCCCc1ccc(cc1)OCCOCCO	0.523	0.263	0.237	0.576	0.563	0.898	0.82	0.98	0.417	0.748	0.328
Compound_48	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.558	0.889	0.921	0.98	0.417	0.846	0.401
Compound_49	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.605	0.919	0.921	0.98	0.417	0.846	0.401
Compound_50	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.698	0.927	0.912	0.98	0.417	0.846	0.401
Compound_51	OCCOCCOc1ccc(cc1)C(CCC(C)C)(CC)C	0.481	0.35	0.626	0.57	0.713	0.943	0.969	0.885	0.168	0.317	0.384
Compound_52	CCCCCCCCCc1ccc(cc1)OCCO	0.688	0.245	0.274	0.545	0.582	0.765	0.834	0.979	0.338	0.872	0.559
Compound_53	CCCCCCCCCc1ccccc1OCCOCCO	0.244	0.336	0.313	0.557	0.298	0.479	0.692	0.884	0.497	0.938	0.543
Compound_54	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCO	0.235	0.349	0.313	0.557	0.343	0.572	0.852	0.884	0.497	0.965	0.606
Compound_55	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.605	0.919	0.921	0.98	0.417	0.846	0.401
Compound_56	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.235	0.349	0.313	0.557	0.447	0.63	0.837	0.884	0.497	0.965	0.606
Compound_57	OCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)CCCCCCCC	0.497	0.264	0.237	0.576	0.698	0.927	0.912	0.98	0.417	0.846	0.401
Compound_58	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO	0.235	0.349	0.313	0.557	0.796	0.707	0.837	0.884	0.497	0.965	0.606
Compound_59	CCCCCCC(c1ccc(cc1)OCCOCCO)(C)C	0.55	0.35	0.263	0.608	0.703	0.941	0.969	0.949	0.331	0.317	0.384
Compound_60	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.558	0.889	0.921	0.98	0.417	0.846	0.401
Compound_61	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCO	0.235	0.349	0.313	0.557	0.295	0.461	0.852	0.884	0.497	0.965	0.606
Compound_62	OCCOc1ccc(cc1)C(CCC(C)C)(CC)C	0.661	0.298	0.645	0.545	0.728	0.869	0.972	0.902	0.116	0.374	0.37
Compound_63	CCOc1ccc(cc1)CCCCCCC(C)C	0.86	0.227	0.868	0.662	0.479	0.873	0.956	0.958	0.119	0.998	0.759
Compound_64	CCCCCCCCCc1ccc(cc1)OCCOCCOCCOCCOCCOCCO	0.497	0.264	0.237	0.576	0.558	0.889	0.921	0.98	0.417	0.846	0.401
Compound_65	OCCOc1ccccc1CCCCCCC(C)C	0.229	0.34	0.805	0.539	0.322	0.261	0.806	0.788	0.1	0.885	0.374
Compound_66	CCCCCCCCCc1ccccc1OCCO	0.229	0.309	0.356	0.53	0.31	0.253	0.713	0.856	0.425	0.974	0.787
Compound_67	OCCOCCOCCOCCOCCOCCOCCOc1ccccc1CCCCCCC(C)C	0.235	0.368	0.792	0.562	0.355	0.579	0.906	0.81	0.154	0.922	0.267
Compound_68	CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCO	0.235	0.349	0.313	0.557	0.295	0.461	0.852	0.884	0.497	0.965	0.606
Compound_69	CCCCCCCC(c1ccc(cc1)O)C	0.934	0.154	0.266	0.546	0.648	0.725	0.813	0.981	0.612	0.972	0.749
Compound_70	CCCCCC(c1ccc(cc1)O)(CC)C	0.959	0.281	0.281	0.533	0.743	0.902	0.823	0.474	0.69	0.981	0.875
Compound_71	CCCCCCCCCc1ccc(cc1)O	0.934	0.137	0.355	0.573	0.595	0.836	0.416	0.949	0.963	0.978	0.723
Compound_72	CCC(c1ccc(cc1)O)(CCC(C)C)C	0.944	0.194	0.75	0.514	0.753	0.907	0.823	0.088	0.249	0.905	0.588
Compound_73	CCC(CC(c1ccc(cc1)O)(CC)C)C	0.944	0.274	0.233	0.515	0.753	0.907	0.823	0.068	0.573	0.936	0.757
Compound_74	CCCCCCC(c1ccc(cc1)O)(C)C	0.957	0.261	0.388	0.596	0.743	0.902	0.823	0.534	0.858	0.977	0.765
Compound_75	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_76	CCCCC(C(c1ccc(cc1)O)C)CC	0.916	0.202	0.263	0.529	0.648	0.725	0.813	0.854	0.452	0.982	0.733
Compound_77	CC(CCCC(c1ccc(cc1)O)(C)C)C	0.947	0.171	0.791	0.579	0.753	0.907	0.823	0.155	0.282	0.261	0.204
Compound_78	CCCCCCCCCc1ccccc1O	0.756	0.293	0.529	0.567	0.283	0.327	0.434	0.948	0.95	0.99	0.664
Compound_79	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_80	OCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.475	0.237	0.367	0.61	0.717	0.862	0.972	0.953	0.058	0.107	0.063
Compound_81	OCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.305	0.321	0.323	0.637	0.717	0.862	0.972	0.949	0.154	0.235	0.096
Compound_82	OCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C	0.274	0.313	0.323	0.637	0.732	0.951	0.959	0.949	0.154	0.362	0.154
Compound_83	CC(c1ccc(cc1)O)(CC(C)(C)C)C	0.923	0.085	0.458	0.575	0.743	0.902	0.823	0.151	0.654	0.65	0.124
Compound_84	CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C	0.801	0.087	0.697	0.572	0.103	0.048	0.988	0.006	0.491	0.722	0.363
Compound_85	CCCCOC(=O)c1ccccc1C(=O)OCCCC	0.882	0.106	0.591	0.604	0.099	0.049	0.988	0.054	0.701	0.745	0.602
Compound_86	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.952	0.113	0.275	0.535	0.093	0.105	0.993	0.016	0.593	0.992	0.769
Compound_87	CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1	0.845	0.433	0.619	0.614	0.281	0.237	0.988	0.095	0.671	0.841	0.807
Compound_88	CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C	0.951	0.9	0.778	0.733	0.772	0.912	0.21	0.996	0.054	0.998	0.939
Compound_89	CNC(=O)Oc1cccc2c1cccc2	0.483	0.8	0.889	0.349	0.176	0.098	0.427	0.996	0.738	0.474	0.263
Compound_90	N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl	0.925	0.165	0.605	0.63	0.905	0.599	0.994	0.957	0.95	0.994	0.918
Compound_91	N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.882	0.519	0.824	0.764	0.957	0.422	0.879	0.162	0.319	0.908	0.087
Compound_92	COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC	0.846	0.145	0.937	0.538	0.645	0.648	0.981	0.092	0.726	0.712	0.087
Compound_93	N#Cc1c(Cl)cccc1Cl	0.98	0.127	0.768	0.673	0.752	0.081	0.992	0.835	0.662	0.994	0.891
Compound_94	CNC(=O)CSP(=S)(OC)OC	0.098	0.059	0.456	0.364	0.052	0.022	0.006	0.376	0.43	0.353	0.469
Compound_95	CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C	0.716	0.336	0.973	0.829	0.85	0.098	0.991	0.885	0.31	0.158	0.731
Compound_96	ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl	0.721	0.642	0.635	0.635	0.482	0.898	0.987	0.994	0.219	0.969	0.918
Compound_97	CC(NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)C	0.739	0.462	0.501	0.432	0.694	0.098	0.065	0.839	0.393	0.012	0.219
Compound_98	CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C	0.955	0.427	0.992	0.88	0.439	0.675	0.867	0.654	0.511	0.934	0.648
Compound_99	COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C	0.566	0.294	0.598	0.616	0.037	0.022	0.344	0.139	0.334	0.026	0.159
Compound_100	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_101	CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N	0.836	0.76	0.684	0.924	0.152	0.829	0.223	0.834	0.579	0.593	0.71
Compound_102	Oc1ccccc1c1ccccc1	0.953	0.75	0.899	0.834	0.489	0.603	0.974	0.985	0.877	0.928	0.778
Compound_103	Clc1c(Cl)c(N(=O)=O)c(c(c1Cl)Cl)Cl	0.969	0.122	0.883	0.617	0.113	0.473	0.999	0.995	0.758	0.999	0.936
Compound_104	C#CCOS(=O)OC1CCCCC1Oc1ccc(cc1)C(C)(C)C	0.802	0.616	0.478	0.652	0.649	0.902	0.959	0.972	0.533	0.922	0.433
Compound_105	CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl	0.941	0.962	0.829	0.943	0.289	0.823	0.059	0.964	0.419	0.822	0.589
Compound_106	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.83	0.731	0.681	0.855	0.057	0.857	0.741	0.456	0.474	0.07	0.382