Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	O=C(C(=C)C)OCC(C(C(F)(F)F)(F)F)(F)F	0.982	0.1	0.522	0.736	0.758	0.067	0.999	0.978	0.559	0.998	0.97
Compound_2	O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)C(C)(C)C	0.984	0.036	0.612	0.649	0.477	0.246	0.974	0.865	0.373	0.668	0.93
Compound_3	FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC1CO1)F	0.978	0.145	0.535	0.691	0.649	0.17	0.996	0.721	0.242	0.998	0.976
Compound_4	FC(C(C(C(F)(F)F)(F)F)(F)F)(CCS(=O)(=O)O)F	0.741	0.081	0.199	0.661	0.275	0.224	0.96	0.519	0.346	0.374	0.273
Compound_5	ClC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.977	0.078	0.758	0.69	0.5	0.188	0.999	0.872	0.191	0.999	0.988
Compound_6	FC(=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F	0.956	0.395	0.745	0.619	0.58	0.034	0.999	0.284	0.25	1.0	0.888
Compound_7	CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CCC	0.884	0.339	0.114	0.704	0.852	0.098	0.977	0.986	0.665	0.237	0.821
Compound_8	O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O	0.885	0.814	0.064	0.861	0.989	0.936	0.11	0.638	0.312	0.997	0.602
Compound_9	O=S(c1nc2c([nH]1)cccc2)Cc1nccc(c1C)OCC(F)(F)F	0.286	0.577	1.0	0.488	0.384	0.716	0.874	0.916	0.281	0.236	0.409
Compound_10	CO[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OC)C	0.989	0.116	0.46	0.682	0.523	0.231	1.0	0.795	0.179	0.707	0.88
Compound_11	O=N(=O)c1ccccc1C(F)(F)F	0.982	0.419	0.65	0.7	0.328	0.251	0.999	0.999	0.511	0.873	0.937
Compound_12	Fc1ccc(cc1)Br	1.0	0.159	0.821	0.595	0.214	0.142	0.999	0.473	0.841	0.998	0.262
Compound_13	CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl	0.952	0.484	0.878	0.711	0.629	0.597	0.984	0.964	0.442	0.153	0.489
Compound_14	CO/N=C(\c1ccccc1CO/N=C(/c1cccc(c1)C(F)(F)F)\C)/C(=O)OC	0.271	0.863	0.778	0.685	0.624	0.535	0.935	0.991	0.228	0.315	0.918
Compound_15	Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc1c(F)cccc1F	0.445	0.312	0.082	0.423	0.397	0.267	0.179	0.542	0.398	0.283	0.673
Compound_16	Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl	0.033	0.43	0.25	0.124	0.543	0.576	0.004	0.02	0.058	0.041	0.236
Compound_17	CCOc1nc(F)cc2n1nc(n2)S(=O)(=O)Nc1c(Cl)cccc1Cl	0.749	0.292	0.087	0.369	0.587	0.499	0.623	0.103	0.149	0.14	0.478
Compound_18	N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F	0.31	0.358	0.498	0.573	0.728	0.645	0.593	0.964	0.748	0.215	0.727
Compound_19	CN([Si](C)(C)C)C(=O)C(C(C(F)(F)F)(F)F)(F)F	0.404	0.112	0.672	0.644	0.205	0.317	0.631	0.902	0.272	0.745	0.376
Compound_20	OC(=O)C=CC(C(F)(F)F)(C(F)(F)F)F	0.744	0.044	0.088	0.482	0.796	0.132	0.996	0.921	0.744	0.846	0.937
Compound_21	OCC(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.731	0.055	0.248	0.605	0.333	0.22	0.15	0.954	0.315	0.259	0.961
Compound_22	O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F	0.686	0.638	0.811	0.608	0.679	0.644	0.764	0.973	0.404	0.981	0.586
Compound_23	COc1cc(ccc1Nc1ncc2c(n1)N(CC(C(=O)N2C)(F)F)C1CCCC1)C(=O)NC1CCN(CC1)C	0.952	0.693	0.81	0.319	0.46	0.506	0.186	0.432	0.95	0.811	0.687
Compound_24	OC[C@@H]1[C@H](O)CCN1c1ncc(c(c1)c1ccc(cc1C)F)N(C(=O)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(C)C)C	0.35	0.656	0.393	0.603	0.557	0.57	0.49	0.959	0.398	0.482	0.208
Compound_25	OC(=O)C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F	0.709	0.048	0.231	0.617	0.321	0.027	0.299	0.985	0.211	0.071	0.92
Compound_26	ICC(C(C(F)(F)F)(F)F)(F)F	0.949	0.197	0.745	0.663	0.386	0.236	0.974	0.314	0.253	0.999	0.868
Compound_27	OCC(C(C(F)(F)F)(F)F)(F)F	0.809	0.062	0.368	0.646	0.205	0.067	0.907	0.356	0.111	0.7	0.959
Compound_28	OC(=O)C(C(C(F)(F)F)(F)F)(F)F	0.69	0.014	0.218	0.664	0.37	0.017	0.948	0.924	0.163	0.354	0.918
Compound_29	NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.544	0.07	0.417	0.51	0.307	0.135	0.356	0.002	0.15	0.367	0.548
Compound_30	Cl[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl	0.982	0.228	0.61	0.664	0.649	0.322	0.997	0.15	0.223	0.998	0.758
Compound_31	FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.883	0.127	0.786	0.698	0.279	0.089	0.995	0.72	0.31	0.999	0.635
Compound_32	Clc1ccc(cc1Cl)C(F)(F)F	0.957	0.21	0.962	0.719	0.291	0.098	0.997	0.994	0.665	1.0	0.484
Compound_33	FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F	0.702	0.114	0.182	0.741	0.204	0.19	0.941	0.871	0.338	0.889	0.205
Compound_34	O=C(C1[C@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C	0.82	0.459	0.499	0.689	0.817	0.216	0.919	0.991	0.218	0.996	0.651
Compound_35	CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C	0.592	0.516	0.429	0.669	0.33	0.194	0.96	0.88	0.563	0.764	0.206
Compound_36	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.79	0.592	0.982	0.754	0.859	0.708	0.981	0.803	0.422	0.83	0.963
Compound_37	O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1	0.467	0.536	0.642	0.692	0.543	0.65	0.823	0.959	0.395	0.239	0.471
Compound_38	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(c(c1)Cl)OC(C(OC(F)(F)F)F)(F)F	0.846	0.561	0.978	0.872	0.945	0.853	0.982	0.873	0.433	0.844	0.954
Compound_39	N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl	0.908	0.484	0.826	0.775	0.958	0.431	0.879	0.179	0.375	0.944	0.151
Compound_40	OCC(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.976	0.071	0.346	0.606	0.473	0.147	0.988	0.794	0.214	0.303	0.966
Compound_41	OC(=O)C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.826	0.031	0.878	0.707	0.408	0.125	0.567	0.764	0.291	0.251	0.899
Compound_42	NCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.57	0.07	0.417	0.51	0.307	0.135	0.356	0.002	0.15	0.367	0.548
Compound_43	FC(C(F)(F)F)(CNCC(C(F)(F)F)(F)F)F	0.156	0.117	0.12	0.442	0.176	0.021	0.09	0.018	0.123	0.8	0.664
Compound_44	OCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.962	0.098	0.323	0.653	0.401	0.12	0.984	0.067	0.066	0.378	0.747
Compound_45	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F	0.856	0.47	0.979	0.821	0.876	0.898	0.995	0.983	0.479	0.401	0.95
Compound_46	CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C	0.408	0.478	0.618	0.746	0.898	0.86	0.996	0.997	0.297	0.958	0.906
Compound_47	COC(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.887	0.013	0.59	0.738	0.25	0.021	0.998	0.903	0.158	0.504	0.859
Compound_48	OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.959	0.078	0.329	0.631	0.401	0.12	0.984	0.116	0.035	0.412	0.875
Compound_49	FC(C(=NOCC1OCCO1)c1ccc(cc1)Cl)(F)F	0.711	0.495	0.331	0.568	0.673	0.878	0.996	0.839	0.299	0.76	0.842
Compound_50	FC(COCC(F)(F)F)(F)F	0.917	0.098	0.314	0.597	0.219	0.063	0.835	0.611	0.217	0.999	0.979
Compound_51	Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1[nH]ccc(=O)n1)C	0.227	0.605	0.039	0.376	0.545	0.725	0.049	0.194	0.058	0.022	0.14
Compound_52	FC(C(C(C(C(C(S(=O)(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.717	0.168	0.158	0.523	0.19	0.067	0.841	0.129	0.225	0.324	0.918
Compound_53	O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C	0.85	0.636	0.15	0.616	0.692	0.655	0.675	0.647	0.403	0.878	0.386
Compound_54	Fc1ccc2c(c1)nc(s2)COc1ccc2c(c1)[C@H](O)[C@@H](CO2)Cc1cccc(c1)C(=O)O	0.623	0.553	0.93	0.461	0.706	0.795	0.995	0.824	0.612	0.738	0.918
Compound_55	OCC(n1cnc(c1c1ccnc(n1)Oc1ccccc1)c1ccc(cc1)F)CO	0.952	0.536	0.983	0.727	0.669	0.714	0.921	0.492	0.574	0.036	0.676
Compound_56	Fc1ccc(c(c1)c1cccc(c1)c1[nH]nc(n1)C(=O)N)OCC(C(F)(F)F)(F)F	0.48	0.56	0.955	0.501	0.739	0.761	0.734	0.135	0.949	0.045	0.713
Compound_57	O=C(Nc1cc(F)ccc1N1CCC(CC1)C(=O)O)NC(=O)c1cc(F)c(cc1Cl)F	0.688	0.506	0.572	0.522	0.856	0.764	0.953	0.982	0.411	0.25	0.276
Compound_58	Nc1ccc(c(c1)N(=O)=O)F	0.968	0.308	0.96	0.604	0.097	0.188	0.951	0.991	0.753	0.993	0.735
Compound_59	C=CC(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.003	0.054	0.835	0.784	0.944	0.571	1.0	0.998	0.403	0.995	0.956
Compound_60	FC(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F	0.965	0.198	0.745	0.662	0.494	0.25	0.989	0.182	0.25	1.0	0.836
Compound_61	C=CC(=O)OCC(C(C(COC(=O)C=C)(F)F)(F)F)(F)F	0.996	0.136	0.821	0.767	0.97	0.59	0.999	0.999	0.753	1.0	0.971
Compound_62	FC(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	0.915	0.021	0.377	0.623	0.382	0.051	0.99	0.98	0.237	0.294	0.916
Compound_63	O=C(C(=C)C)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.997	0.1	0.522	0.757	0.79	0.088	0.999	0.971	0.526	0.998	0.97
Compound_64	C=CC(=O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	1.003	0.07	0.573	0.813	0.944	0.571	1.0	0.998	0.382	0.974	0.937
Compound_65	FC1CC(C(C1(F)F)(F)F)(F)F	0.962	0.347	0.677	0.65	0.318	0.07	0.973	0.419	0.568	0.999	0.623
Compound_66	FC(C(C(C(=O)O)(F)F)(F)F)F	0.552	0.021	0.291	0.553	0.293	0.023	0.948	0.987	0.346	0.294	0.916
Compound_67	NC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.44	0.077	0.092	0.483	0.215	0.063	0.968	0.162	0.194	0.548	0.696
Compound_68	CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F	0.161	0.568	0.968	0.538	0.839	0.724	0.632	0.641	0.445	0.001	0.241
Compound_69	COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C	0.952	0.475	0.858	0.811	0.345	0.212	0.863	0.909	0.534	0.111	0.7
Compound_70	OCCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC	0.196	0.229	0.306	0.675	0.315	0.199	0.859	0.225	0.305	0.088	0.552
Compound_71	C#CCOC(=O)C(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_72	Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C	0.598	0.483	0.237	0.587	0.419	0.678	0.803	0.8	0.411	0.193	0.523
Compound_73	OCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.953	0.148	0.346	0.682	0.473	0.15	0.98	0.159	0.067	0.828	0.671
Compound_74	NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.25	0.07	0.417	0.51	0.167	0.049	0.071	0.002	0.152	0.367	0.548
Compound_75	OCCCC(C(C(F)(F)F)(F)F)(F)F	0.859	0.098	0.323	0.647	0.238	0.078	0.908	0.081	0.065	0.378	0.747
Compound_76	O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F	0.995	0.096	0.249	0.705	0.841	0.091	0.999	0.971	0.716	0.99	0.946
Compound_77	FC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.849	0.142	0.698	0.581	0.073	0.094	0.985	0.674	0.375	0.979	0.297
Compound_78	NC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.248	0.077	0.092	0.483	0.142	0.026	0.748	0.162	0.228	0.548	0.696
Compound_79	N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F	0.68	0.676	0.998	0.736	0.956	0.711	0.949	0.894	0.407	0.044	0.74
Compound_80	N#Cc1c([nH]c(c1Br)C(F)(F)F)c1ccc(cc1)Cl	0.805	0.604	0.673	0.697	0.668	0.703	0.989	0.455	0.849	0.868	0.901
Compound_81	CC(OC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)F)C)C	0.738	0.612	0.81	0.435	0.905	0.607	0.506	0.981	0.448	0.92	0.443
Compound_82	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F	0.944	0.583	0.965	0.672	0.953	0.825	0.986	0.954	0.478	0.943	0.94
Compound_83	O[C@@H](C[C@H](CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1	0.536	0.655	0.972	0.797	0.806	0.76	0.992	0.886	0.049	0.331	0.11
Compound_84	CNCc1cc(F)ccc1Oc1ccc(c(c1)Cl)Cl	0.356	0.477	0.898	0.442	0.532	0.841	0.306	0.965	0.614	0.47	0.618
Compound_85	CC(C(=O)O)Oc1ccc(c(c1)F)CNC(=O)c1cccnc1Oc1ccc2c(c1)OCO2	0.623	0.336	0.629	0.468	0.318	0.098	0.259	0.341	0.246	0.103	0.727
Compound_86	CNS(=O)(=O)c1cc(c(cc1F)Cl)C(=O)N1CCC(CC1)(CCN1C2CCC1CC(C2)n1c(C)nc2c1cccc2)c1cccc(c1)F	0.48	0.838	0.3	0.256	0.66	0.898	0.998	0.958	0.404	0.133	0.392
Compound_87	CCc1cc(SCc2sc(nc2CN2CCN(CC2)c2ccc(cc2)OC)c2ccc(cc2)C(F)(F)F)ccc1OCC(=O)O	0.524	0.544	0.829	0.563	0.905	0.759	0.995	0.619	0.95	0.046	0.728
Compound_88	Fc1ccc(cc1)C(=O)N[C@H]1c2cc(ccc2OC([C@@H]1O)(C)C)C(=O)C	0.373	0.596	0.073	0.435	0.093	0.84	0.794	0.068	0.456	0.556	0.7
Compound_89	COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O	0.041	0.537	0.512	0.18	0.089	0.159	0.006	0.035	0.436	0.008	0.042
Compound_90	Cc1ccc2c(c1)c(c1ccc(cc1)Cl)c(o2)CN(C(=O)Nc1c(F)cc(cc1F)F)Cc1ccccc1	0.458	0.609	0.968	0.699	0.901	0.815	0.998	0.893	0.419	0.155	0.525
Compound_91	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_92	OC(=O)C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F	0.677	0.023	0.542	0.604	0.384	0.042	0.924	0.992	0.332	0.304	0.94
Compound_93	OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	0.7	0.014	0.248	0.79	0.353	0.018	0.899	0.899	0.132	0.354	0.918
Compound_94	OC(=O)C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F	0.761	0.048	0.159	0.642	0.423	0.058	0.881	0.935	0.264	0.35	0.941
Compound_95	OS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.837	0.081	0.199	0.661	0.395	0.264	0.986	0.519	0.346	0.374	0.273
Compound_96	FC(C(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	0.76	0.114	0.182	0.782	0.321	0.251	0.988	0.839	0.336	0.889	0.205