Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C	0.406	0.378	0.101	0.198	0.105	0.61	0.019	0.03	0.372	0.22	0.425
Compound_2	COc1ccc2c(n1)nc([nH]2)S(=O)Cc1ncc(c(c1C)OC)C	0.481	0.562	1.0	0.389	0.5	0.673	0.202	0.484	0.638	0.579	0.212
Compound_3	Fc1ccc2c(c1)c(C)cn2NC(=O)c1cnc(nc1C)c1ccccn1	0.452	0.717	0.963	0.498	0.685	0.622	0.975	0.855	0.623	0.029	0.159
Compound_4	Cc1cc2CCN3c2c(c1)C(=N[C@H](C3=O)NC(=O)c1ccncc1)c1ccccc1	0.654	0.721	0.161	0.429	0.757	0.545	0.693	0.172	0.425	0.003	0.079
Compound_5	OC[C@H]1O[C@@H]([C@@H]([C@@H]1OP(=O)(O[C@@H](CNC(=O)CC[C@@]1(C)/C/2=C(\C)/C3=N/C(=C\C4=N/C(=C(\C5=N[C@]([C@@H]([C@@H]1CC(=O)N)[N-]2)(C)[C@@](C)(CC(=O)N)[C@@H]5CCC(=O)N)/C)/[C@@]([C@@H]4CCC(=O)N)(C)CC(=O)N)/C([C@@H]3CCC(=O)N)(C)C)C)[O-])O)n1cnc2c1cc(C)c(c2)C	0.654	0.699	0.022	0.253	0.905	0.683	0.044	0.451	0.95	0.149	0.484
Compound_6	Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O	0.921	0.828	0.95	0.677	0.875	0.895	0.92	0.998	0.838	0.85	0.755
Compound_7	Cc1cccn2c1ncc(c2=O)c1[n-]nnn1	0.455	0.622	0.407	0.567	0.093	0.599	0.002	0.104	0.609	0.059	0.568
Compound_8	COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C	0.671	0.659	0.939	0.479	0.565	0.819	1.0	0.952	0.207	0.772	0.381
Compound_9	NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F	0.952	0.838	0.069	0.275	0.905	0.676	0.939	0.956	0.366	0.001	0.092
Compound_10	C1CN=C(N1)Nc1cccc2c1CCCC2	0.053	0.359	0.215	0.191	0.145	0.353	0.02	0.011	0.238	0.016	0.156
Compound_11	Cc1ccc(cc1)S(=O)(=O)O	0.655	0.301	0.789	0.313	0.859	0.246	0.986	0.067	0.386	0.707	0.044
Compound_12	O=C(NS(=O)(=O)c1ccc(cc1)C)NC1CCCCCCC1	0.053	0.093	0.021	0.059	0.138	0.178	0.193	0.005	0.355	0.042	0.087
Compound_13	O=C(NS(=O)(=O)c1ccc(cc1)C)NC1CCCC1	0.03	0.121	0.021	0.059	0.118	0.17	0.003	0.005	0.328	0.014	0.087
Compound_14	Cc1ccc(cc1)S	0.796	0.293	0.81	0.654	0.297	0.165	0.991	0.456	0.844	0.999	0.312
Compound_15	COc1ccc(cc1)C	0.806	0.091	0.855	0.699	0.093	0.493	0.83	0.009	0.795	0.935	0.217
Compound_16	Cc1ccc(cc1)O	0.829	0.12	0.81	0.654	0.238	0.452	0.167	0.456	0.778	0.682	0.087
Compound_17	CC(=O)Nc1ccc(cc1)C	0.656	0.327	0.839	0.541	0.074	0.441	0.977	0.049	0.879	0.785	0.32
Compound_18	Cc1ccc(cc1)N	0.702	0.196	0.947	0.543	0.08	0.402	0.996	0.869	0.878	0.976	0.305
Compound_19	Cc1ccc(cc1)Cl	0.91	0.14	0.756	0.624	0.112	0.118	0.997	0.79	0.73	0.996	0.044
Compound_20	Cc1ccc(cc1)C1(O)CCN(CC1)CCCC(=O)c1ccc(cc1)F	0.026	0.474	0.248	0.134	0.146	0.524	0.008	0.02	0.168	0.006	0.052
Compound_21	COC(=O)c1ccc(cc1)C	0.657	0.121	0.86	0.555	0.037	0.146	0.988	0.004	0.607	0.464	0.148