Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC(Nc1nc(NC(C)C)nc(n1)Cl)C	0.343	0.212	0.744	0.472	0.052	0.088	0.0	0.054	0.582	0.263	0.042
Compound_2	CN(c1ccc(cc1)N=NS(=O)(=O)[O-])C	0.921	0.348	0.925	0.475	0.209	0.833	0.989	0.981	0.565	0.746	0.375
Compound_3	N#C[C@@H]1C[C@@H]2[C@]([C@H]1C(=O)C)(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O	0.979	0.99	0.036	0.715	0.948	0.813	0.002	0.978	0.226	0.872	0.5
Compound_4	CC(C1=CC2=CC[C@@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)[O-])C	0.978	0.565	0.713	0.424	0.882	0.563	0.779	0.775	0.118	1.0	0.438
Compound_5	CCCC[Sn](CCCC)(CCCC)CCCC	0.961	0.514	0.327	0.598	0.875	0.963	0.998	0.988	0.938	1.0	0.71
Compound_6	COc1ccc(cc1)n1nc(cc1c1ccc(cc1)S(=O)C)C(F)F	0.573	0.49	0.774	0.799	0.895	0.777	0.915	0.9	0.209	0.82	0.662
Compound_7	CCOc1ccc(cc1)N	0.699	0.219	0.958	0.696	0.457	0.859	0.898	0.879	0.734	0.674	0.761
Compound_8	CCCOCC(O)C	0.628	0.085	0.074	0.511	0.073	0.098	0.877	0.153	0.283	0.749	0.556
Compound_9	CCOC(=O)C1=NOC(C1)(c1ccccc1)c1ccccc1	0.535	0.667	0.24	0.615	0.337	0.582	0.79	0.142	0.347	0.024	0.936
Compound_10	O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O	0.515	0.28	0.903	0.623	0.865	0.491	0.992	0.302	0.405	0.953	0.876
Compound_11	O=C1N(SC2CCCCC2)C(=O)c2c1cccc2	0.842	0.614	0.368	0.44	0.341	0.841	0.893	0.589	0.706	0.996	0.569
Compound_12	[O-]C(=O)C1=NN(C(=O)C1N=Nc1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]	0.447	0.453	0.986	0.552	0.554	0.572	0.124	0.97	0.405	0.075	0.266
Compound_13	Oc1ccc(c(c1)C(C)(C)C)O	0.885	0.083	0.875	0.633	0.63	0.098	0.118	0.977	0.765	0.986	0.663
Compound_14	N#CC1(CCC(CC1)C(=O)O)c1ccc2c(c1)n(nc2CC)C1CCCCC1	0.654	0.571	0.19	0.554	0.905	0.559	0.98	0.954	0.38	0.062	0.891
Compound_15	COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC	0.5	0.403	0.072	0.389	0.595	0.632	0.813	0.743	0.106	0.087	0.648
Compound_16	Nc1cccc2c1cccc2N	0.978	0.81	0.99	0.719	0.203	0.299	0.988	0.995	0.887	0.997	0.993
Compound_17	CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl	0.952	0.874	0.5	0.73	0.92	0.225	1.0	0.992	0.562	0.87	0.715
Compound_18	CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)[O-])O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)[O-])CC)C=C1)Cc1cccc(c1)S(=O)(=O)[O-]	0.788	0.589	0.77	0.645	0.946	0.826	0.416	0.998	0.394	0.533	0.388
Compound_19	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_20	C#CC(NC(=O)c1cc(Cl)cc(c1)Cl)(C)C	0.82	0.252	0.607	0.397	0.051	0.647	0.98	0.326	0.416	0.75	0.536