Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	N#Cc1ccc(cc1C(F)(F)F)n1c(O)c2c(c1O)[C@]1(O[C@]2(C)CC1C(=O)OC(C)C)C	0.775	0.685	0.08	0.618	0.841	0.643	0.989	0.994	0.431	0.751	0.789
Compound_2	N#Cc1ncc(cc1C(F)(F)F)N1C(=S)N(C2(C1=O)CCC2)c1ccc(cc1)OC1CCN(CC1)C	0.513	0.622	0.195	0.418	0.721	0.658	0.242	0.412	0.438	0.827	0.525
Compound_3	N#Cc1ccc(cc1C(F)(F)F)n1c(O)c2c(c1O)[C@@]1(O[C@@]2(C)CN(C1)S(=O)(=O)c1ccccc1)C	0.596	0.579	0.039	0.602	0.788	0.634	0.986	0.979	0.371	0.543	0.562
Compound_4	O=c1[nH]c2ccc(cc2c(c1)C(F)(F)F)N([C@@H](C(F)(F)F)C)CC(F)(F)F	0.319	0.61	0.747	0.544	0.77	0.44	0.784	0.898	0.633	0.195	0.594
Compound_5	O=c1cc(c2c(n1C)cc1c(c2)CCN1)C(F)(F)F	0.653	0.485	0.849	0.343	0.569	0.284	0.217	0.234	0.793	0.0	0.17
Compound_6	Cn1c(=O)cc(c2c1cc1N[C@H]3[C@@H](c1c2)CCCC3)C(F)(F)F	0.558	0.48	0.652	0.44	0.81	0.588	0.92	0.697	0.57	0.002	0.137
Compound_7	N#Cc1ccc(cc1C(F)(F)F)N1CCc2c(C1)[nH]cnc2=Nc1ccc(cn1)C(=O)NCC(F)F	0.49	0.604	0.395	0.419	0.598	0.493	0.12	0.836	0.251	0.008	0.315
Compound_8	N#CC1Nc2cc3=NC(C)(C)CCc3cc2=C(C1)C(F)(F)F	0.511	0.548	0.324	0.45	0.53	0.688	0.79	0.745	0.656	0.005	0.452
Compound_9	CCCSc1ccc(c(c1)OC)C#N	0.802	0.332	0.894	0.709	0.632	0.564	0.627	0.701	0.7	0.861	0.889
Compound_10	N#Cc1nc2cc3NC(C)(C)CCc3cc2c(c1)C(F)(F)F	0.354	0.588	0.826	0.462	0.906	0.676	0.566	0.893	0.457	0.018	0.612
Compound_11	N#Cc1ccc(c2n1ncc2)n1c(O)c2c(c1O)C1(OC2(C)CC1)C	0.771	0.698	0.07	0.563	0.732	0.652	0.652	0.916	0.463	0.102	0.855
Compound_12	N#Cc1ccc(c(c1Cl)C)C(C(F)(F)F)(C(F)(F)F)O	0.736	0.254	0.254	0.716	0.927	0.248	0.783	0.424	0.523	0.89	0.955
Compound_13	COc1c(ccc2c1c1ccc3c(c1c(=O)o2)c(C)cc(=O)[nH]3)C(=O)OC(F)(F)F	0.511	0.701	0.982	0.546	0.95	0.851	0.996	0.53	0.457	0.145	0.885
Compound_14	OC[C@H]1CCN([C@H]1C)c1ccc(c2c1cccc2)C#N	0.433	0.523	0.121	0.445	0.678	0.288	0.357	0.182	0.675	0.03	0.79
Compound_15	CCC1(C)CCc2c(N1C)cc1c(c2)c(cc(=O)n1C)C(F)(F)F	0.764	0.639	0.015	0.527	0.738	0.491	0.718	0.583	0.591	0.135	0.332
Compound_16	CCN1CCOc2c1cc1c(c2)[nH]c(=O)cc1C(F)(F)F	0.701	0.566	0.21	0.501	0.745	0.351	0.975	0.783	0.64	0.096	0.362
Compound_17	COc1ccc(cc1)c1ccc(c(c1)C(F)(F)F)C#N	0.943	0.492	0.882	0.83	0.882	0.606	0.881	0.732	0.449	0.547	0.972
Compound_18	O=c1[nH]c2ccc(cc2c(c1)C(F)(F)F)N(CC(C(F)(F)F)(F)F)CC(F)(F)F	0.657	0.622	0.951	0.515	0.81	0.443	0.975	0.628	0.333	0.439	0.693
Compound_19	CCc1ccccc1Oc1ccc(c(c1)C(F)(F)F)C#N	0.686	0.528	0.808	0.786	0.942	0.509	0.895	0.979	0.398	0.889	0.984
Compound_20	CCOC(=O)N1C[C@]2(C)O[C@@](C1)(C)c1c2c(O)n(c1O)c1ccc(c(c1)C(F)(F)F)C#N	0.561	0.713	0.188	0.713	0.784	0.613	0.956	0.994	0.332	0.992	0.868
Compound_21	N#Cc1ccc(c2c1cccc2)N1[C@@H]2CC[C@@H]1CC(C2)O	0.565	0.436	0.134	0.538	0.682	0.231	0.027	0.653	0.505	0.628	0.645
Compound_22	N#Cc1ccc(cc1C(F)(F)F)N1CCc2c(C1)[nH]cnc2=Nc1ccc(nn1)C(=O)NCC(F)F	0.481	0.614	0.424	0.43	0.644	0.643	0.185	0.891	0.452	0.002	0.277
Compound_23	CCc1cc(=O)[nH]c2c1cc(cc2)N(CC(F)(F)F)CC(F)(F)F	0.598	0.633	0.797	0.524	0.775	0.366	0.885	0.81	0.777	0.196	0.628
Compound_24	N#Cc1ccc(c(c1Cl)C)C(C(F)(F)F)(C#CC1CC1)O	0.82	0.391	0.111	0.741	0.893	0.61	0.914	0.643	0.46	0.956	0.94
Compound_25	CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]21COCC2)c1ccc(c(c1)C(F)(F)F)C#N	0.709	0.506	0.637	0.482	0.877	0.722	0.595	0.929	0.415	0.467	0.693
Compound_26	N#Cc1ccc(c(c1C(F)(F)F)C)C(C(F)(F)F)(O)C	0.601	0.253	0.183	0.717	0.86	0.179	0.896	0.47	0.369	0.149	0.899
Compound_27	N#Cc1ccc(c2c1cccc2)N1CC[C@H]([C@@H]1C)O	0.443	0.574	0.015	0.51	0.667	0.154	0.118	0.313	0.664	0.04	0.635
Compound_28	Fc1cccc(c1)[C@@H](CC(=O)c1ccc(cc1)C)Nc1ccc(cc1)N(=O)=O	0.777	0.613	0.928	0.62	0.622	0.917	0.968	0.984	0.347	0.899	0.692
Compound_29	N#Cc1ccc(cc1C(F)(F)F)N1C(=O)N(C(C1=O)(C)C)OCC#CCCc1ccc(c(c1)C(=O)N)O	0.787	0.714	0.047	0.375	0.939	0.811	0.985	0.435	0.42	0.039	0.715
Compound_30	COc1ccc(c(c1)Cl)OC[C@@](C(=O)N1CCc2c1cccc2C#N)(O)C	0.437	0.728	0.084	0.678	0.677	0.567	0.859	0.871	0.434	0.884	0.819
Compound_31	N#Cc1c(C)n(c(c1c1ccc(cc1)C#N)C)Cc1ccc(nc1)Cl	0.537	0.626	0.609	0.73	0.522	0.714	0.704	0.485	0.545	0.098	0.656
Compound_32	C[C@@H]1CN(CC(F)(F)F)c2c(O1)cc1c(c2)c(cc(=O)[nH]1)C(F)(F)F	0.711	0.57	0.326	0.467	0.838	0.339	0.977	0.659	0.549	0.276	0.44
Compound_33	Cc1c(ccc(c1Cl)C#N)C1=NN2[C@H](C1OC)[C@H](CC2)OC	0.452	0.693	0.315	0.585	0.542	0.332	0.197	0.874	0.511	0.006	0.812
Compound_34	N#Cc1ccc(cc1Cl)N1[C@@H](C)[C@H](C(C1=O)(F)F)O	0.624	0.554	0.466	0.667	0.91	0.338	0.706	0.845	0.588	0.598	0.811
Compound_35	BrC[C@](C(=O)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O)(O)C	0.919	0.536	0.189	0.605	0.242	0.821	0.677	0.963	0.374	0.048	0.33
Compound_36	O=c1[nH]c2cc3OCCN(c3cc2c(c1)C(F)(F)F)C	0.699	0.566	0.28	0.469	0.745	0.351	0.975	0.364	0.497	0.023	0.272
Compound_37	N#Cc1ccc(c(c1Cl)C)N[C@@H]1CCCC[C@@]1(C)O	0.441	0.602	0.29	0.534	0.861	0.286	0.162	0.596	0.549	0.252	0.899
Compound_38	N#Cc1ccc(cc1C(F)(F)F)n1c(=O)n(c2c1nccc2)Cc1ccccc1	0.57	0.574	0.125	0.657	0.658	0.633	0.95	0.5	0.423	0.005	0.756
Compound_39	CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](OCc1ccc(cc1)Cl)[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)C2	0.889	0.98	0.158	0.629	0.944	0.982	0.013	0.81	0.452	0.864	0.145
Compound_40	COc1ccc2c(c1)c(C)c(n2C(=O)c1ccc(cc1)Cl)CCC(=O)NS(=O)(=O)C	0.273	0.693	0.701	0.511	0.73	0.936	0.997	0.135	0.398	0.763	0.612
Compound_41	N#Cc1ccc(cc1C(F)(F)F)C(C(F)(F)F)(c1ncsc1)O	0.346	0.671	0.451	0.59	0.5	0.659	0.921	0.495	0.365	0.181	0.963
Compound_42	CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]12C=CC(=O)O1)CC1(C2=C3CCC(=O)C2)CC1	0.988	0.957	0.161	0.7	0.978	0.876	0.233	0.991	0.476	0.998	0.776
Compound_43	COc1ccccc1Oc1ccc(c(c1)C(F)(F)F)C#N	0.919	0.418	0.777	0.771	0.919	0.557	0.933	0.7	0.407	0.537	0.968
Compound_44	O=C1CCC2=C(C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@]12OCC=C1)C	0.988	0.95	0.096	0.598	0.967	0.927	0.023	0.923	0.412	0.998	0.559
Compound_45	O=c1[nH]c2cc3N[C@@H]([C@@H](c3cc2c(c1)C(F)(F)F)C)C	0.458	0.601	0.673	0.42	0.591	0.362	0.136	0.766	0.717	0.019	0.633
Compound_46	CCC[C@H]1Cc2cc3c(cc2N[C@@H]1CC)[nH]c(=O)cc3C(F)(F)F	0.701	0.596	0.632	0.327	0.615	0.335	0.206	0.82	0.743	0.051	0.228
Compound_47	N#Cc1ccc(cc1C(F)(F)F)N1CCc2c(C1)[nH]cnc2=Nc1ncns1	0.429	0.648	0.907	0.581	0.485	0.599	0.98	0.923	0.44	0.016	0.412
Compound_48	Clc1cc2[nH]c(nc2cc1Cl)C(C(F)(F)F)(C(C)C)O	0.219	0.635	0.954	0.609	0.52	0.682	0.533	0.379	0.322	0.352	0.836
Compound_49	N#Cc1ccc(c(c1)Br)OC[C@@](C(=O)N1CCc2c1cccc2C#N)(O)C	0.528	0.705	0.106	0.682	0.691	0.687	0.597	0.538	0.44	0.783	0.726
Compound_50	O=C1C=C[C@]2([C@H](N1C)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C/C(=C\c1cnc(nc1)C)/[C@@H]2O)C)C	0.666	0.774	0.144	0.708	0.523	0.789	0.111	0.965	0.384	0.684	0.179
Compound_51	COC1[C@@H]2C[C@H](CN2N=C1c1ccc(c(c1C)Cl)C#N)O	0.459	0.635	0.034	0.59	0.47	0.305	0.034	0.447	0.47	0.003	0.773
Compound_52	CCCCSc1ccc(c(c1)OC)C#N	0.803	0.354	0.768	0.689	0.632	0.564	0.627	0.77	0.648	0.893	0.896
Compound_53	C=C[C@]12CCC(=O)C=C1CCC1C2CC[C@]2(C1CC[C@@H]2O)C	0.973	1.0	0.091	0.823	0.957	0.934	0.011	0.996	0.059	0.992	0.3
Compound_54	FC(CN(c1ccc2c(c1)c(cc(=O)[nH]2)C(F)(F)F)CC(F)F)F	0.564	0.622	0.84	0.495	0.762	0.671	0.992	0.9	0.747	0.439	0.693
Compound_55	N#Cc1ccc(cc1C(F)(F)F)n1c(O)c2c(c1O)[C@@]1(O[C@@]2(C)[C@@H](C1)NS(=O)(=O)c1cccnc1)C	0.712	0.619	0.218	0.373	0.704	0.646	0.955	0.891	0.332	0.491	0.563
Compound_56	CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]12C=CC(=O)O1)[C@@H](CC1=C3CCC(=O)C1)C1CC1	0.988	0.946	0.08	0.697	0.976	0.903	0.47	0.991	0.492	0.997	0.823
Compound_57	Oc1c2C3CCC(c2c(n1c1cccc(c1)C(F)(F)F)O)C=C3	0.594	0.563	0.149	0.634	0.875	0.603	0.791	0.944	0.414	0.764	0.811
Compound_58	CCCC1(C)CCc2c(N1)cc1c(c2)c(cc(=O)[nH]1)C(F)(F)F	0.737	0.683	0.344	0.359	0.73	0.584	0.649	0.731	0.666	0.065	0.293
Compound_59	N#Cc1ccc(c(c1Cl)C)N1CC[C@@H]([C@@H]1C)O	0.352	0.429	0.004	0.518	0.817	0.189	0.386	0.33	0.56	0.006	0.648
Compound_60	N#Cc1ccc(cc1C(F)(F)F)N1CCc2c(C1)[nH]cnc2=Nc1sc(c(n1)C(F)(F)F)C(=O)NCC(F)(F)F	0.545	0.641	0.399	0.449	0.556	0.671	0.206	0.871	0.511	0.018	0.287
Compound_61	O=c1[nH]c2cc3N[C@H]4[C@](c3cc2c(c1)C(F)(F)F)(C)CCCC4	0.681	0.646	0.344	0.439	0.864	0.674	0.917	0.852	0.738	0.003	0.205
Compound_62	CC[C@H]1COc2c(N1CC(F)(F)F)cc1c(c2)[nH]c(=O)cc1C(F)(F)F	0.463	0.556	0.038	0.47	0.752	0.256	0.781	0.705	0.544	0.121	0.621
Compound_63	Fc1cccc(c1)C(CC(=O)c1ccc(cc1)Br)Nc1ccc(cc1)N(=O)=O	0.847	0.58	0.929	0.62	0.358	0.673	0.737	0.986	0.382	0.958	0.644
Compound_64	CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(c(c1)Cl)C#N	0.547	0.491	0.127	0.561	0.815	0.251	0.251	0.281	0.54	0.731	0.669
Compound_65	C/C(=C/1\c2ccccc2OCc2c1cccc2)/c1cccc(c1)NS(=O)(=O)C	0.4	0.653	0.581	0.613	0.848	0.935	0.97	0.234	0.441	0.916	0.806
Compound_66	CCC[C@@H]1CCc2c(N1)cc1c(c2)c(cc(=O)[nH]1)C(F)(F)F	0.734	0.563	0.354	0.319	0.71	0.447	0.327	0.723	0.741	0.039	0.302
Compound_67	O=c1oc2cc(ccc2c(c1)C(F)(F)F)N(CC(F)(F)F)CC(F)(F)F	0.234	0.688	0.971	0.667	0.741	0.459	0.915	0.903	0.624	0.958	0.843
Compound_68	N#Cc1ccc(cc1C(F)(F)F)n1c(O)c2c(c1O)[C@]1(O[C@@]2(C)[C@@H](C1)NS(=O)(=O)c1ccccc1F)C	0.693	0.625	0.188	0.349	0.788	0.648	0.919	0.965	0.333	0.513	0.559
Compound_69	O=C(C(c1ccccc1)(O)C)N=c1cc[nH]c(c1)Br	0.364	0.597	0.587	0.586	0.1	0.33	0.023	0.091	0.333	0.06	0.354
Compound_70	CC(C[C@@H]1COc2c(N1CC(F)(F)F)ccc1c2c(cc(=O)[nH]1)C(F)(F)F)C	0.671	0.604	0.329	0.426	0.86	0.359	0.977	0.94	0.436	0.068	0.289
Compound_71	N#Cc1cc(F)c2c(c1)c1ccc3c(c1CO2)C(=CC(N3)(C)C)C	0.336	0.7	0.99	0.507	0.863	0.748	0.657	0.916	0.522	0.982	0.927
Compound_72	O[C@H]1CCN2[C@@H]1[C@@H](N(C2=O)c1ccc(c(c1C)Cl)C#N)C(F)(F)F	0.499	0.609	0.056	0.694	0.893	0.439	0.736	0.616	0.47	0.028	0.486
Compound_73	CC[C@@H]1COc2c(N1CC(F)(F)F)cc1c(c2)[nH]c(=O)cc1C(F)(F)F	0.463	0.556	0.038	0.47	0.862	0.401	0.969	0.705	0.544	0.121	0.621
Compound_74	CCCC1CCNc2c1cc1c(c2)oc(=O)cc1C(F)(F)F	0.4	0.539	0.819	0.467	0.509	0.288	0.856	0.6	0.716	0.171	0.543
Compound_75	CCCN1CCOc2c1cc1c(c2)[nH]c(=O)cc1C(F)(F)F	0.685	0.586	0.06	0.471	0.48	0.156	0.792	0.663	0.612	0.355	0.357
Compound_76	N#Cc1ccc(c(c1C(F)(F)F)C)C(C(F)(F)F)(c1ncsc1)O	0.372	0.681	0.073	0.565	0.495	0.662	0.902	0.363	0.356	0.075	0.939
Compound_77	N#Cc1ccc(c(c1Cl)C)N1C(=O)C2N(S1(=O)=O)C[C@H](C2)O	0.414	0.59	0.052	0.616	0.814	0.394	0.417	0.479	0.403	0.427	0.533
Compound_78	OCCc1scc(n1)C(=O)N[C@H](Cn1ccc(n1)c1ccc(c(c1)Cl)C#N)C	0.457	0.684	0.866	0.499	0.598	0.659	0.991	0.626	0.379	0.015	0.603
Compound_79	O=c1cc(c2c([nH]1)ccc1c2oc(=O)c2c1c(O)ccc2)C(F)(F)F	0.505	0.601	0.685	0.533	0.964	0.421	0.983	0.877	0.483	0.61	0.949
Compound_80	COC1[C@@H]2C[C@@H](CN2N=C1c1ccc(c(c1C)Cl)C#N)F	0.505	0.635	0.366	0.665	0.48	0.328	0.035	0.982	0.519	0.01	0.789
Compound_81	Clc1cc2c(cc1Cl)[nH]c1c2ccc(c1O)Br	0.859	0.67	0.353	0.44	0.678	0.653	0.989	0.857	0.858	0.993	0.999
Compound_82	Fc1cccc(c1)/C=C/1\C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C=CC(=O)N2C	0.64	0.827	0.855	0.737	0.691	0.949	0.045	0.983	0.397	0.44	0.221
Compound_83	CCCNc1ccc2c(c1)[nH]c(=O)cc2C(F)(F)F	0.43	0.533	0.731	0.41	0.444	0.229	0.253	0.256	0.451	0.025	0.314
Compound_84	Clc1cc(Cl)c2c(c1)c1CCC(c1[nH]2)(O)C(F)(F)F	0.491	0.54	0.656	0.604	0.719	0.654	0.862	0.244	0.25	0.65	0.894