Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C	0.643	0.529	0.659	0.217	0.612	0.646	0.982	0.067	0.403	0.024	0.087
Compound_2	CC1(O)SCC(SC1)(C)O	0.284	0.398	0.118	0.486	0.244	0.049	0.938	0.051	0.48	0.24	0.1
Compound_3	O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC1(C)CCCCC1	0.408	0.647	0.364	0.64	0.547	0.942	0.665	0.912	0.232	0.029	0.408
Compound_4	O=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)Nc1ccc(cc1)C(=O)O	0.952	0.724	0.533	0.692	0.567	0.979	0.954	0.775	0.391	0.188	0.466
Compound_5	O=C1C(=O)C2(C(C1CC2)(C)C)C	0.962	0.535	0.053	0.481	0.14	0.154	0.044	0.035	0.284	0.319	0.463
Compound_6	ClC(C1(Cl)C(Cl)C(Cl)C2(C(C1(Cl)C2(C)C)Cl)Cl)Cl	0.999	0.337	0.419	0.555	0.901	0.674	0.954	0.848	0.494	0.993	0.552
Compound_7	CC=CC=CCOC(=O)C(C)C	0.929	0.014	0.578	0.63	0.581	0.085	0.983	0.994	0.206	0.988	0.918
Compound_8	CSc1ccc(cc1)/C=C/1\c2ccc(cc2C(=C1C)CC(=O)O)F	0.076	0.523	0.674	0.338	0.795	0.337	0.942	0.273	0.213	0.907	0.75
Compound_9	OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)S(=O)C)/c2c1cc(F)cc2	0.053	0.615	0.759	0.255	0.672	0.269	0.573	0.594	0.213	0.993	0.592
Compound_10	OC(=O)CC1=C(C)/C(=C/c2ccc(cc2)S(=O)(=O)C)/c2c1cc(F)cc2	0.053	0.665	0.391	0.197	0.649	0.294	0.112	0.597	0.372	0.981	0.393
Compound_11	CC[Sn](CC)(CC)Br	0.871	0.494	0.287	0.631	0.675	0.898	0.962	0.93	0.937	1.0	0.918
Compound_12	CC[n+]1ccccc1	0.514	0.236	0.791	0.627	0.018	0.232	0.055	0.978	0.886	0.489	0.217
Compound_13	CC[N+]1(CCOC(=O)C(c2ccccc2)(c2ccccc2)O)CCCCC1	0.029	0.586	0.363	0.692	0.091	0.077	0.005	0.016	0.237	0.037	0.16
Compound_14	CC[N+](CC)(CC)C	0.23	0.533	0.063	0.524	0.015	0.019	0.008	0.093	0.57	0.392	0.092
Compound_15	CC[Hg]Sc1ccccc1C(=O)[O-]	0.952	0.441	0.692	0.412	0.727	0.798	0.985	0.932	0.576	0.967	0.902
Compound_16	CC[C@H]1CN2CCc3c([C@@H]2C[C@@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC	0.298	0.644	0.056	0.713	0.053	0.898	0.255	0.848	0.914	0.054	0.641
Compound_17	CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H](CC[C@@H]1C)[C@H](C(=O)[O-])CC)C)O)C	0.75	0.929	0.001	0.456	0.969	0.898	0.961	0.817	0.39	0.871	0.978
Compound_18	CC[C@H]([C@H]1O[C@]2(C=C[C@H]([C@@]3(O2)CC[C@@](O3)(C)[C@H]2CC[C@]([C@@H](O2)C)(O)CC)O)[C@@H](C[C@@H]1C)C)C(=O)[C@H]([C@H]([C@@H]([C@@H]1O[C@H]([C@H](C[C@@H]1C)C)[C@H](C(=O)O)CC)C)O)C	0.727	0.929	0.001	0.382	0.969	0.898	0.961	0.607	0.251	0.871	0.931
Compound_19	CC[C@H]([C@H](c1ccc(c2c1ccc(=O)[nH]2)O)O)NC(C)C	0.439	0.701	0.027	0.225	0.614	0.195	0.004	0.011	0.083	0.032	0.087
Compound_20	CC[C@@H](C(=O)[C@H]([C@H]([C@@H](CCc1ccc(c(c1C(=O)[O-])O)C)C)O)C)[C@H]1O[C@](C[C@@H]1C)(CC)[C@H]1CC[C@]([C@@H](O1)C)(O)CC	0.69	0.883	0.001	0.675	0.659	0.898	0.952	0.086	0.95	0.839	0.984
Compound_21	ON=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]2(O)C#C)CC	0.936	0.949	0.329	0.679	0.95	0.898	0.065	0.939	0.464	0.401	0.945