Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@@H]1O)N)O)C(=O)O	0.137	0.754	0.005	0.189	0.835	0.721	0.005	0.953	0.058	0.156	0.766
Compound_2	C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O	0.955	0.418	0.944	0.678	0.938	0.925	0.888	0.966	0.353	0.99	0.918
Compound_3	ClCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)C=C[C@]12C)F	0.976	1.0	0.781	0.99	0.961	0.934	0.213	0.236	0.288	0.359	0.062
Compound_4	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1C[C@@H]([C@]2(O)C(=O)COP(=O)([O-])[O-])C)C)C	0.952	1.0	0.882	1.0	0.679	0.632	0.008	0.034	0.112	0.109	0.087
Compound_5	O=C1C=C[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@]2(F)[C@@H](O)C[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C	0.952	1.0	0.012	0.995	0.767	0.928	0.009	0.057	0.129	0.567	0.057
Compound_6	O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)C	0.981	1.0	0.024	0.909	0.608	0.859	0.423	0.993	0.059	0.955	0.087
Compound_7	C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O	0.102	0.763	0.005	0.521	0.026	0.898	0.928	0.821	0.924	0.139	0.026
Compound_8	C[C@H]1[C@H](NC(=O)/C(=N\OC(C(=O)O)(C)C)/c2csc(n2)N)C(=O)N1S(=O)(=O)O	0.256	0.398	0.025	0.143	0.197	0.467	0.002	0.021	0.307	0.011	0.546
Compound_9	OC[C@@H](CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C	0.983	0.96	0.017	0.763	0.932	0.927	0.008	0.602	0.154	0.931	0.283
Compound_10	O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C	0.777	0.91	0.042	0.161	0.84	0.848	0.031	0.889	0.029	0.992	0.064
Compound_11	O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C	0.672	0.915	0.042	0.113	0.806	0.814	0.021	0.819	0.047	0.992	0.087
Compound_12	C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.952	0.5	0.841	0.738	0.31	0.413	0.502	0.972	0.413	0.407	0.621
Compound_13	OC(=O)[C@H](O)C	0.364	0.125	0.026	0.156	0.041	0.027	0.92	0.172	0.082	0.179	0.252
Compound_14	ONC(=O)/C=C/C(=C/[C@H](C(=O)c1ccc(cc1)N(C)C)C)/C	0.802	0.599	0.99	0.5	0.166	0.932	0.446	0.969	0.412	0.845	0.489
Compound_15	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.997	1.0	0.095	0.831	0.89	0.884	0.015	0.252	0.092	0.998	0.5
Compound_16	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C	0.984	1.0	0.016	0.874	0.944	0.898	0.037	0.405	0.058	0.996	0.168
Compound_17	OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.952	1.0	0.007	0.89	0.093	0.081	0.01	0.009	0.186	0.017	0.056
Compound_18	OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.959	1.0	0.015	0.889	0.588	0.933	0.006	0.078	0.031	0.142	0.071
Compound_19	OCC(=O)[C@@]12OC(O[C@@H]1C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2[C@H]1C[C@@H](C1=CC(=O)CC[C@]21C)F)(C)C	0.69	1.0	0.002	0.934	0.857	0.912	0.071	0.343	0.222	0.208	0.087
Compound_20	O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.878	0.978	0.018	0.72	0.898	0.831	0.006	0.919	0.058	0.97	0.349