Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]	0.918	0.145	0.361	0.55	0.652	0.06	0.442	0.982	0.92	0.936	0.918
Compound_2	[K]	0.916	0.116	0.433	0.496	0.644	0.046	0.686	0.897	0.972	1.0	0.839
Compound_3	[Hg]	0.955	0.229	0.433	0.496	0.929	0.415	0.686	0.897	0.972	1.0	0.895
Compound_4	Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O	0.952	0.937	0.989	0.918	0.925	0.984	0.998	0.964	0.95	0.078	0.983
Compound_5	CCCC[SnH](CCCC)CCCC	0.94	0.267	0.294	0.561	0.847	0.89	0.981	0.905	0.938	1.0	0.695
Compound_6	CCCC[SnH2]CCCC	0.94	0.165	0.309	0.578	0.847	0.89	0.981	0.989	0.938	1.0	0.65
Compound_7	O=C([C@@H](c1ccc(cc1)O)N)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C	0.053	0.211	0.0	0.064	0.272	0.08	0.006	0.111	0.069	0.011	0.079
Compound_8	COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	0.799	0.724	0.885	0.598	0.833	0.825	0.964	0.81	0.524	0.567	0.8
Compound_9	CC(CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@@H](C=C1C)O[C@@H]1[C@]3([C@]2(C)[C@@H](OC(=O)C)[C@H]1O)CO3)C	0.963	0.8	0.09	0.676	0.953	0.703	0.337	0.98	0.674	0.956	0.68
Compound_10	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_11	O[C@@H]1[C@H]2OP(=O)(O)OC[C@@H]2O[C@H]1n1c(Br)nc2c1ncnc2N	0.726	0.714	0.212	0.517	0.312	0.352	0.004	0.214	0.488	0.409	0.561
Compound_12	C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3	0.425	0.87	0.316	0.207	0.254	0.195	0.051	0.705	0.303	0.232	0.348
Compound_13	COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O	0.772	0.428	0.081	0.518	0.582	0.396	0.752	0.965	0.262	0.23	0.469
Compound_14	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl	0.98	0.733	0.558	0.663	0.87	0.647	0.973	0.885	0.244	0.999	0.794
Compound_15	CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@H]([C@H]3[C@]1(OC(=O)C)C3(C)C)C=C(C[C@]1([C@H]2C=C(C1=O)C)O)CO	0.971	0.877	0.148	0.624	0.925	0.583	0.673	0.191	0.538	0.136	0.854
Compound_16	OC[C@@H]([C@H]1OC(=C(C1=O)OP(=O)(O)O)O)O	0.473	0.439	0.006	0.275	0.098	0.253	0.039	0.011	0.144	0.642	0.263
Compound_17	OC[C@@]12[C@@H](C=C(C(=O)[C@H]1O)C)O[C@H]1[C@]3([C@]2(C)C[C@H]1O)CO3	0.907	0.839	0.018	0.693	0.909	0.7	0.053	0.748	0.206	0.622	0.139
Compound_18	OC(=O)CCCC[C@@H]1SC[C@@H]2[C@H]1NC(=O)N2	0.071	0.323	0.023	0.192	0.299	0.096	0.003	0.064	0.193	0.032	0.213
Compound_19	COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C	0.668	0.731	0.419	0.449	0.905	0.898	0.969	0.977	0.369	0.035	0.977
Compound_20	CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C	0.779	0.406	0.19	0.378	0.647	0.652	0.099	0.55	0.295	0.846	0.109