Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OCCCS(=O)(=O)c1cccc(c1)Oc1cccc(c1)c1c(C)cnc2c1cccc2C(F)(F)F	0.5	0.559	0.658	0.777	0.845	0.72	0.895	0.336	0.327	0.281	0.263
Compound_2	Clc1c(cccc1C(F)(F)F)CN(CC(c1ccccc1)c1ccccc1)CCCOc1ccc2c(c1)cc[nH]2	0.183	0.516	0.648	0.342	0.938	0.707	0.98	0.802	0.367	0.996	0.962
Compound_3	COC(=O)c1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)C)c1ccc(c(c1)S(=O)(=O)C)F	0.282	0.689	0.588	0.52	0.5	0.601	0.816	0.776	0.398	0.905	0.398
Compound_4	Fc1cc(Oc2ccc(c(c2)n2c(C)nc3c2cccc3Cl)Cl)cc(c1)S(=O)(=O)C	0.659	0.543	0.579	0.59	0.745	0.685	0.373	0.724	0.452	0.534	0.474
Compound_5	COc1ncc(c(n1)N1Cc2c(C1C(C)C)nn(c2)c1cccc(c1)S(=O)(=O)C)F	0.582	0.609	0.133	0.425	0.482	0.68	0.119	0.63	0.346	0.794	0.506
Compound_6	FC1(F)C[C@@]21CC[C@@H](CC2)CN1CCN(C[C@@H]1c1ccccc1)c1cccc(c1)S(=O)(=O)C	0.296	0.592	0.771	0.3	0.586	0.664	0.658	0.855	0.414	0.075	0.204
Compound_7	CC([C@@H]1CN(CCN1c1ncc(cc1N)C(F)(F)F)c1ccc(c(c1)S(=O)(=O)C)F)C	0.289	0.605	0.788	0.558	0.474	0.642	0.64	0.98	0.413	0.556	0.206
Compound_8	CC(NC(=O)c1cccc(c1)Oc1cccc(c1)c1c(cnc2c1cccc2C(F)(F)F)Cc1ccccc1)C	0.287	0.515	0.868	0.65	0.897	0.829	0.976	0.837	0.084	0.059	0.563
Compound_9	OC(=O)Cc1ccc(cc1)CNc1cccc(c1)c1c(cnc2c1cccc2F)C(=O)c1ccccc1	0.294	0.635	0.721	0.469	0.721	0.513	0.809	0.326	0.239	0.017	0.352
Compound_10	COC(C(F)(F)F)c1cnc(nc1)N1CCN(C[C@H]1C(C)C)c1ccc(c(c1)S(=O)(=O)C)F	0.294	0.709	0.33	0.606	0.477	0.631	0.798	0.737	0.392	0.548	0.398
Compound_11	N#Cc1cnc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)C)c1ccc(c(c1)S(=O)(=O)C)F	0.336	0.625	0.366	0.569	0.568	0.647	0.729	0.969	0.4	0.644	0.534
Compound_12	CC([C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)Br)c1cccc(c1)S(=O)(=O)C)C	0.256	0.636	0.312	0.501	0.543	0.651	0.74	0.958	0.385	0.717	0.414
Compound_13	Fc1ccc(cc1S(=O)(=O)C)N1CCN(C(C1)C(C)(C)C)c1ncc(c(n1)C(F)(F)F)C(O)(C)C	0.335	0.659	0.396	0.587	0.55	0.656	0.677	0.758	0.397	0.743	0.406
Compound_14	CNS(=O)(=O)c1cccc(c1)c1ccc(cc1)c1nc2cccc(c2nc1C)C(F)(F)F	0.235	0.432	0.034	0.489	0.644	0.695	0.52	0.831	0.152	0.287	0.423
Compound_15	OCc1c(F)cc(cc1S(=O)(=O)C)c1ccc(c(c1)c1nc(oc1c1ccc(cc1)OC(F)(F)F)C(C)C)n1cc(nc1C)C(F)(F)F	0.331	0.645	0.443	0.659	0.744	0.657	0.996	0.44	0.373	0.933	0.396
Compound_16	OCc1c(F)cc(cc1S(=O)(=O)C)c1ccc(c(c1)F)n1cc(nc1C(c1c(Cl)cccc1Cl)(C)C)C(O)(C)C	0.334	0.564	0.569	0.726	0.832	0.738	0.979	0.743	0.373	0.855	0.489
Compound_17	CCCc1c(OCCCN(c2ncc(cn2)CC(=O)O)C)ccc2c1onc2C(F)(F)F	0.314	0.692	0.022	0.411	0.728	0.692	0.967	0.845	0.332	0.24	0.907
Compound_18	CCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1ccccc1	0.372	0.559	0.421	0.607	0.91	0.75	0.858	0.337	0.27	0.388	0.914
Compound_19	CC([C@H]1CN(CCN1C[C@H]1CC[C@@H](OC1)C(F)(F)F)c1cccc(c1)S(=O)(=O)C)C	0.282	0.629	0.164	0.249	0.303	0.526	0.754	0.707	0.386	0.227	0.281
Compound_20	O=C(c1cccc(c1)Oc1cccc(c1)c1c(C)cnc2c1cccc2Cl)N1CCCCC1	0.387	0.654	0.912	0.791	0.69	0.776	0.968	0.64	0.38	0.515	0.473
Compound_21	OCc1c(F)cc(cc1S(=O)(=O)C)N1CCN([C@@H](C1)C(C)C)c1ncc(c(n1)C(F)(F)F)C(=O)N	0.247	0.529	0.026	0.347	0.559	0.652	0.643	0.582	0.383	0.489	0.381
Compound_22	CC([C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)CN1CCOCC1)c1ccc(c(c1)S(=O)(=O)C)F)C	0.339	0.699	0.118	0.362	0.524	0.632	0.731	0.864	0.391	0.461	0.402
Compound_23	OC(=O)COc1ccc(cc1)CNc1cccc(c1)c1c(cnc2c1cccc2C(F)(F)F)C(=O)c1ccccc1	0.486	0.62	0.517	0.53	0.791	0.617	0.828	0.579	0.096	0.085	0.914
Compound_24	Fc1ccc2c(c1)sc(n2)N1CCN(C[C@H]1C(C)C)c1ccc(c(c1)S(=O)(=O)C)F	0.463	0.709	0.963	0.548	0.342	0.74	0.765	0.968	0.428	0.722	0.22
Compound_25	Clc1cccc2c1ncc(c2c1cccc(c1)Oc1cccc(c1)S(=O)(=O)C)Cc1ccccc1	0.439	0.572	0.933	0.738	0.821	0.693	0.761	0.756	0.352	0.745	0.309
Compound_26	C[C@@H](N(CC(c1ccccc1)c1ccccc1)Cc1cccc(c1Cl)C(F)(F)F)CCOc1cccc(c1)C(C(=O)O)(C)C	0.073	0.5	0.157	0.21	0.989	0.87	0.867	0.733	0.179	0.441	0.453
Compound_27	CCOC(=O)c1ccc(nc1C(F)(F)F)N1CCN(C[C@H]1C(C)C)c1ccc(c(c1)S(=O)(=O)C)F	0.301	0.699	0.97	0.577	0.573	0.631	0.736	0.942	0.385	0.943	0.282
Compound_28	C#CCC(c1ccc(cc1)COc1cccc(c1)c1ccc(c2c1cc(cn2)C(=O)c1ccccc1)C(F)(F)F)(C(=O)O)CC#C	0.375	0.564	0.347	0.578	0.903	0.725	0.951	0.807	0.383	0.05	0.882
Compound_29	CC([C@@H]1CN(CCN1c1nccc(n1)C1CC1)c1ccc(c(c1)S(=O)(=O)C)F)C	0.252	0.645	0.108	0.464	0.414	0.674	0.043	0.876	0.41	0.624	0.38
Compound_30	Cc1cc(C)c(c(c1)C)S(=O)(=O)N(Cc1ccc(o1)C(F)(F)F)Cc1ccc(cc1)c1cccc(c1)S(=O)(=O)C	0.305	0.638	0.59	0.707	0.495	0.695	0.992	0.818	0.407	0.836	0.556
Compound_31	Oc1ccc2c(c1)[C@@]1(C)CCCC([C@@H]1CC2)(C)C(=O)NC(=O)[C@@]1(C)CCC[C@]2([C@H]1CCc1c2cc(cc1)O)C	0.45	0.867	0.114	0.368	0.962	0.974	0.673	0.46	0.406	0.681	0.738
Compound_32	FC(c1cccn2c1nc(c2c1cccc(c1)Oc1cccc(c1)S(=O)(=O)C)Cc1ccccc1)(F)F	0.45	0.472	0.703	0.714	0.685	0.705	0.989	0.614	0.341	0.036	0.359
Compound_33	OCc1ccc(cc1S(=O)(=O)C)N1CCN([C@@H](C1)C(C)C)c1ncc(c(n1)C(F)(F)F)COC(=O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O	0.698	0.739	0.364	0.43	0.69	0.674	0.997	0.401	0.405	0.957	0.5
Compound_34	OCc1ccc(cc1S(=O)(=O)C)N1CCN([C@@H](C1)C(C)C)c1nc(c(o1)C(O)(C)C)C(F)(F)F	0.46	0.659	0.473	0.503	0.551	0.64	0.365	0.939	0.366	0.556	0.378
Compound_35	CCCc1c(OCCCn2ncc3c2ccc(c3)CC(=O)O)ccc2c1onc2C(F)(F)F	0.478	0.684	0.404	0.43	0.911	0.679	0.996	0.871	0.487	0.642	0.769
Compound_36	OCc1cnc(nc1C(F)(F)F)N1Cc2c(C1C(C)C)nn(c2)c1cccc(c1)S(=O)(=O)C	0.617	0.637	0.011	0.47	0.517	0.675	0.788	0.654	0.31	0.521	0.619
Compound_37	CC(c1nc2c(n1c1cccc(c1)Oc1cccc(c1)S(=O)(=O)C)cccc2Cl)C	0.48	0.562	0.387	0.549	0.759	0.692	0.639	0.674	0.321	0.93	0.443
Compound_38	CC([C@@H]1CN(CCN1c1ncc(c(n1)C(F)(F)F)C(O)(C)C)c1ccc(c(c1)S(=O)(=O)C)F)C	0.331	0.659	0.321	0.559	0.532	0.649	0.71	0.715	0.391	0.743	0.406
Compound_39	CCCc1c(OCCCN(c2ncc(s2)CC(=O)O)C)ccc2c1onc2C(F)(F)F	0.409	0.762	0.077	0.403	0.523	0.719	0.986	0.9	0.309	0.158	0.877
Compound_40	OC(=O)Cc1cc(C)c(cc1C)COc1cccc(c1)c1c(cnc2c1cccc2C(F)(F)F)Cc1ccccc1	0.325	0.612	0.794	0.563	0.963	0.706	0.942	0.702	0.194	0.009	0.812
Compound_41	CC([C@@H]1CN(CCN1c1nccc(n1)C(C)C)c1cccc(c1)S(=O)(=O)C)C	0.22	0.649	0.182	0.432	0.283	0.659	0.032	0.248	0.4	0.578	0.207
Compound_42	Cc1cnc2c(c1c1cccc(c1)Oc1cccc(c1)C(O)(C)C)cccc2Cl	0.362	0.597	0.957	0.822	0.889	0.646	0.562	0.766	0.25	0.948	0.95
Compound_43	CC([C@@H]1CN(CCN1C(=O)OC(C(F)(F)F)(C)C)c1ccc(c(c1)S(=O)(=O)C)F)C	0.32	0.639	0.136	0.641	0.427	0.543	0.157	0.974	0.401	0.816	0.319