Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Cc1cccc2c1ccc1c2cccc1	0.952	0.562	0.932	0.627	0.507	0.551	0.995	0.994	0.932	0.999	0.918
Compound_2	Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3	0.954	0.549	0.944	0.62	0.852	0.772	0.989	0.987	0.91	0.998	0.918
Compound_3	Cc1cccc2c1n1cnnc1s2	0.468	0.673	0.888	0.557	0.428	0.769	0.934	0.966	0.852	0.725	0.204
Compound_4	OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O	0.837	0.54	0.386	0.405	0.199	0.645	0.852	0.968	0.533	0.014	0.272
Compound_5	O=N(=O)c1ccc(c2c1[Hg]O2)C	0.673	0.371	0.803	0.638	0.868	0.542	0.996	0.99	0.859	0.999	0.777
Compound_6	O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC(=C)[C@]2(OC(=O)C)C(=O)C)C)C)C	0.982	1.0	0.032	0.923	0.69	0.941	0.454	0.997	0.066	0.965	0.199
Compound_7	O=C(OC(C)(C)C)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C	0.79	0.75	0.045	0.646	0.237	0.803	0.896	0.934	0.511	0.596	0.569
Compound_8	CC1=C(C)S(=O)(=O)CCS1(=O)=O	0.383	0.644	0.301	0.5	0.196	0.064	0.957	0.993	0.527	0.964	0.166
Compound_9	O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C	0.514	0.779	0.022	0.545	0.821	0.898	0.991	0.932	0.262	0.566	0.918
Compound_10	Cc1c2OC(C)(C)CCc2c(c(c1C)O)C	0.358	0.592	0.042	0.59	0.431	0.06	0.174	0.235	0.732	0.985	0.541
Compound_11	Clc1ccc(cc1)c1nc[nH]c1C	0.42	0.587	0.729	0.514	0.286	0.827	0.187	0.235	0.5	0.035	0.328
Compound_12	ONC(=O)/C=C/c1ccc(cc1)CNCCc1c(C)[nH]c2c1cccc2	0.449	0.629	0.931	0.437	0.844	0.771	0.983	0.266	0.401	0.015	0.529
Compound_13	Cc1ccc2c(c1C)cccc2	0.959	0.403	0.956	0.633	0.109	0.095	0.968	0.984	0.945	0.998	0.945
Compound_14	C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C	0.395	0.592	0.077	0.531	0.517	0.098	0.477	0.193	0.216	0.997	0.685
Compound_15	O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C	0.658	0.714	0.872	0.389	0.679	0.751	0.962	0.679	0.485	0.36	0.306
Compound_16	Clc1cccc(c1C)Cl	0.952	0.076	0.751	0.633	0.284	0.078	0.99	0.958	0.574	0.999	0.141
Compound_17	O=N(=O)c1cccc(c1C)Cl	0.964	0.111	0.754	0.703	0.579	0.138	1.0	0.995	0.621	0.999	0.918
Compound_18	Cc1c(cccc1N(=O)=O)N(=O)=O	0.966	0.262	0.766	0.587	0.072	0.101	0.994	0.993	0.662	0.999	0.887
Compound_19	OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(c(c1)F)C(F)(F)F	0.532	0.641	0.841	0.649	0.806	0.751	0.995	0.683	0.317	0.055	0.714
Compound_20	COP(=S)(Oc1ccc(c(c1)C)N(=O)=O)OC	0.971	0.664	0.968	0.795	0.852	0.147	0.995	0.919	0.61	0.864	0.787