Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Fc1ccc2c(c1)OCc1c(C2=Cc2ccc3c(c2)[nH]c(=O)[nH]3)cccc1	0.638	0.715	0.832	0.575	0.829	0.775	0.966	0.313	0.963	0.769	0.759
Compound_2	Fc1ccc(cc1)[C@H](N1C(=O)O[C@](C1=O)(Cc1ccccc1)c1[nH]c2c(n1)c(F)ccc2)C	0.444	0.588	0.997	0.56	0.466	0.686	0.993	0.854	0.393	0.089	0.357
Compound_3	OCC(=O)C1CC[C@@H]2[C@]1(C=O)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.947	0.98	0.015	0.894	0.562	0.94	0.007	0.078	0.205	0.138	0.061
Compound_4	N#N=CC(=O)C12CC[C@H]3[C@H]([C@@H]1CCC2[C@H](O)C)CC=C1C3(C)CCC(=O)C1	0.871	0.893	0.042	0.762	0.762	0.851	0.01	0.829	0.095	0.101	0.162
Compound_5	CC[C@@](n1ncc2c1cccc2NS(=O)(=O)C)(c1ccc(cc1)Cl)CO	0.435	0.522	0.85	0.655	0.607	0.454	0.816	0.522	0.38	0.068	0.694
Compound_6	CCCC1O[C@H]2[C@](O1)(C(=O)CO)[C@@]1([C@@H](C2)[C@@H]2CC=C3[C@]([C@H]2[C@H](C1)O)(C)C=CC(=O)C3)C	0.833	1.0	0.022	0.886	0.841	0.872	0.326	0.769	0.332	0.421	0.415
Compound_7	N#Cc1ccc(cc1C)N1N=C(CC1c1ccc(cc1)F)c1ccc(cc1)C(=O)O	0.575	0.486	0.528	0.368	0.94	0.703	0.994	0.474	0.435	0.339	0.694
Compound_8	CC(Cn1nc(c(c1c1ccc(cc1)F)c1ccc2c(c1)NC(=O)CO2)C)C	0.534	0.66	0.777	0.695	0.593	0.638	0.777	0.91	0.489	0.086	0.248
Compound_9	CCOc1cc(ccc1C(=O)O)C1=NN([C@H](C1)C1CCCC1)c1ccc(c(c1)C)C#N	0.656	0.66	0.229	0.408	0.833	0.704	0.922	0.905	0.452	0.113	0.765
Compound_10	COc1ccccc1c1c[nH]c2c1cccc2NS(=O)(=O)C	0.512	0.681	0.95	0.585	0.303	0.694	0.692	0.805	0.449	0.213	0.844
Compound_11	CCOc1ncc(c2c1[C@@H](C(C(=O)N)C(=N2)C)c1ccc(cc1OC)C#N)C	0.681	0.765	0.43	0.44	0.404	0.631	0.227	0.055	0.424	0.022	0.909
Compound_12	Fc1ccc(cc1)CCc1cc[nH]c(=NC(=O)N)c1	0.493	0.542	0.045	0.294	0.167	0.377	0.02	0.01	0.716	0.022	0.141
Compound_13	OCC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)C2)OC(=O)C(C)C	0.948	1.0	0.021	0.917	0.476	0.86	0.01	0.187	0.245	0.129	0.091
Compound_14	N#Cc1ccc(cc1)N1N=C(CC1c1ccc(cc1)F)c1ccc2c(c1)oc(=O)[nH]2	0.672	0.55	0.794	0.538	0.808	0.667	0.991	0.675	0.642	0.367	0.666
Compound_15	N#CN=c1[nH]c2c(n1[C@H]1C[C@@H]3N(C1)CCOC3)ccc(c2)/C=C\1/c2ccc(cc2OCc2c1cccc2F)F	0.753	0.586	0.584	0.397	0.818	0.535	0.965	0.545	0.499	0.588	0.5
Compound_16	Fc1ccc(cc1)c1n(CCCC(F)(F)F)nc(c1c1ccc2c(c1)NC(=O)CO2)C	0.53	0.681	0.77	0.671	0.806	0.606	0.97	0.887	0.49	0.009	0.264
Compound_17	COc1cc(NS(=O)(=O)C)c2c(c1)c(c([nH]2)C)c1cc(F)ccc1OC	0.635	0.585	0.935	0.566	0.745	0.708	0.98	0.469	0.503	0.953	0.898
Compound_18	O=C1COc2c(N1)cc(cc2)N1C[C@@H](C)OC[C@H]1c1ccccc1F	0.52	0.569	0.547	0.489	0.23	0.469	0.014	0.386	0.436	0.152	0.275
Compound_19	Fc1ccc(c(c1)C(CC(C(F)(F)F)(C(=O)Nc1ccc2c(c1)coc2O)O)(C)C)O	0.394	0.529	0.98	0.739	0.735	0.698	0.996	0.824	0.467	0.222	0.118
Compound_20	N#Cc1ccc(cc1C)N1N=C2C([C@H]1C1CCCC1)OCc1c2ccc(c1)C(=O)O	0.76	0.66	0.082	0.452	0.845	0.611	0.927	0.658	0.49	0.02	0.672
Compound_21	OCC(=O)[C@@]12CN(C[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@]2([C@H]1CC(C1=CC(=O)C=C[C@]21C)F)F)Cc1ccc(cc1)C(F)(F)F	0.652	0.85	0.11	0.696	0.646	0.908	0.738	0.094	0.179	0.103	0.109
Compound_22	COc1cc(F)ccc1c1c(C)[nH]c2c1cc(F)cc2NS(=O)(=O)C	0.642	0.595	0.941	0.622	0.651	0.702	0.986	0.552	0.503	0.935	0.906
Compound_23	OCC(=O)[C@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)C2)OC(=O)CC	0.948	1.0	0.026	0.919	0.476	0.86	0.01	0.187	0.267	0.245	0.202
Compound_24	NC(=O)N=c1[nH]ccc(c1)CC(c1ccccc1C)c1ccccc1	0.342	0.582	0.049	0.283	0.383	0.59	0.143	0.006	0.257	0.008	0.187
Compound_25	O=C1COc2c(N1)cc(cc2C)c1cc(nn1c1ccc(cc1C)F)C(F)(F)F	0.644	0.75	0.544	0.616	0.828	0.667	0.899	0.857	0.456	0.011	0.463
Compound_26	N#Cc1ccc(cc1Cl)N1N=C(C[C@@H]1C1CCCC1)c1ccc(cc1)C(=O)O	0.582	0.565	0.249	0.485	0.961	0.777	0.745	0.785	0.397	0.335	0.807
Compound_27	CC[C@](n1ccc2c1cccc2NS(=O)(=O)C)(c1noc(n1)C1CC1)c1ccc(cc1)Cl	0.505	0.588	0.951	0.649	0.595	0.73	0.998	0.767	0.422	0.374	0.488