Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Clc1cc(Cl)c(cc1c1ccc(c(c1Cl)Cl)Cl)Cl	0.99	0.389	0.977	0.797	0.809	0.779	0.991	0.927	0.914	0.995	0.816
Compound_2	Clc1c(Cl)ccc(c1Cl)c1cc(Cl)c(c(c1)Cl)O	0.976	0.715	0.907	0.77	0.935	0.785	0.979	0.987	0.917	0.991	0.987
Compound_3	Brc1c(Br)ccc(c1Br)c1cc(Br)c(c(c1)Br)Br	0.989	0.38	0.99	0.788	0.599	0.098	0.997	0.766	0.926	0.996	0.835
Compound_4	Clc1c(ccc(c1Cl)Cl)c1ccc(c(c1Cl)Cl)Cl	0.99	0.389	0.985	0.778	0.779	0.635	0.991	0.924	0.957	0.995	0.816
Compound_5	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_6	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_7	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F	0.95	0.592	0.965	0.736	0.976	0.898	0.986	0.975	0.467	0.83	0.963
Compound_8	Clc1c(Cl)cccc1Cl	0.977	0.088	0.967	0.576	0.131	0.233	0.998	0.959	0.739	0.999	0.279
Compound_9	Clc1ccc(c(c1Cl)Cl)c1cccc(c1Cl)Cl	0.989	0.389	0.987	0.758	0.776	0.595	0.991	0.732	0.936	0.995	0.816
Compound_10	NC(=O)c1c(Cl)cccc1Cl	0.806	0.274	0.162	0.38	0.152	0.42	0.993	0.011	0.552	0.768	0.369
Compound_11	N#Cc1c(Cl)cccc1Cl	0.98	0.127	0.768	0.673	0.752	0.081	0.992	0.835	0.662	0.994	0.891
Compound_12	Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl	0.895	0.517	0.966	0.698	0.872	0.898	0.881	0.972	0.956	0.988	0.986
Compound_13	Clc1ccn(=O)cc1	0.49	0.088	0.8	0.601	0.077	0.08	0.448	0.656	0.908	0.981	0.784
Compound_14	O=n1ccc(cc1)N(=O)=O	0.345	0.626	0.938	0.578	0.132	0.195	0.563	0.993	0.86	0.968	0.824
Compound_15	Nc1ncc(s1)N(=O)=O	0.437	0.277	0.872	0.533	0.194	0.457	0.006	0.261	0.884	0.767	0.381
Compound_16	O=N(=O)c1ccc(o1)c1n[nH]c(=O)o1	0.151	0.453	0.705	0.43	0.53	0.573	0.242	0.933	0.478	0.647	0.625
Compound_17	Nc1nnc(o1)c1ccc(o1)N(=O)=O	0.183	0.485	0.922	0.545	0.525	0.619	0.085	0.982	0.562	0.479	0.666
Compound_18	NC(=O)N/N=C/c1ccc(o1)N(=O)=O	0.12	0.409	0.57	0.214	0.626	0.542	0.007	0.975	0.387	0.482	0.812
Compound_19	OC(=O)/C=C/c1cnc[nH]1	0.322	0.33	0.255	0.34	0.27	0.77	0.0	0.406	0.747	0.015	0.813
Compound_20	c1scnc1C#N	0.58	0.453	0.566	0.545	0.239	0.64	0.679	0.945	0.933	0.906	0.96
Compound_21	Clc1ncc(cc1Cl)C(Cl)(Cl)Cl	0.505	0.324	0.913	0.761	0.139	0.555	0.042	0.747	0.95	0.983	0.32
Compound_22	Nc1cc(Cl)cc(c1)Cl	0.864	0.164	0.946	0.599	0.403	0.195	0.995	0.955	0.891	0.981	0.219
Compound_23	Clc1cc(Cl)cc(c1)Cl	0.965	0.153	0.84	0.622	0.172	0.109	0.999	0.93	0.761	0.998	0.087
Compound_24	Brc1cc(Br)cc(c1)Br	0.975	0.152	0.84	0.622	0.191	0.487	0.998	0.93	0.833	0.998	0.236
Compound_25	Ic1cc(I)c(c(c1)I)O	0.904	0.165	0.452	0.507	0.554	0.082	0.975	0.969	0.412	0.991	0.701
Compound_26	Nc1cc(Cl)c(c(c1)Cl)O	0.698	0.495	0.826	0.542	0.691	0.311	0.988	0.977	0.93	0.839	0.992
Compound_27	Clc1cc(Cl)c(c(c1)Cl)O	0.916	0.149	0.452	0.507	0.263	0.098	0.987	0.969	0.798	0.994	0.918
Compound_28	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_29	Nc1cc(Cl)c(c(c1)Cl)N	0.92	0.308	0.945	0.614	0.221	0.298	0.994	0.941	0.97	0.972	0.649
Compound_30	Ic1cc(I)c(c(c1)C(=O)O)I	0.762	0.116	0.374	0.61	0.366	0.08	0.979	0.96	0.386	0.74	0.257
Compound_31	Brc1cc(Br)c(c(c1)Br)O	0.948	0.134	0.452	0.507	0.668	0.72	0.994	0.969	0.389	0.996	0.929
Compound_32	Clc1[nH]c(=O)c(cc1Cl)Cl	0.572	0.508	0.285	0.543	0.689	0.362	0.992	0.101	0.883	0.492	0.541
Compound_33	OC(=O)COc1nc(Cl)c(cc1Cl)Cl	0.367	0.137	0.541	0.482	0.093	0.072	0.976	0.133	0.32	0.178	0.217
Compound_34	Clc1c[nH]c(=O)cc1O	0.165	0.39	0.098	0.494	0.521	0.303	0.793	0.047	0.425	0.122	0.61
Compound_35	Clc1cc(Cl)c(cc1O)Cl	0.942	0.149	0.429	0.637	0.81	0.789	0.965	0.995	0.858	0.994	0.918
Compound_36	Clc1cc(Cl)c(cc1Cl)Cl	0.966	0.088	0.898	0.651	0.253	0.725	0.999	0.991	0.926	0.999	0.279
Compound_37	Clc1cc(Cl)c(cc1c1cc(Cl)c(c(c1Cl)Cl)Cl)Cl	0.984	0.389	0.977	0.733	0.767	0.766	0.995	0.919	0.925	0.995	0.816
Compound_38	O=N(=O)c1cc(O)c(cc1Cl)N	0.912	0.113	0.949	0.58	0.358	0.098	0.982	0.996	0.755	0.847	0.95
Compound_39	Oc1c(Cl)cc(c(c1Cl)Cl)Cl	0.924	0.149	0.633	0.74	0.853	0.899	0.991	0.996	0.819	0.994	0.918
Compound_40	Clc1cc(Cl)c(c(c1Cl)Cl)Cl	0.96	0.088	0.905	0.651	0.253	0.725	0.999	0.991	0.882	0.999	0.279
Compound_41	Clc1cc(N(=O)=O)c(c(c1Cl)Cl)Cl	0.963	0.122	0.971	0.635	0.103	0.439	0.999	0.997	0.95	0.999	0.936
Compound_42	Clc1cc(Cl)c(c(c1Cl)N(=O)=O)Cl	0.975	0.122	0.923	0.661	0.093	0.483	0.999	0.998	0.822	0.999	0.936
Compound_43	BrCC(Cc1c(Br)cc(c(c1Br)Oc1c(Br)cc(c(c1Br)CC(CBr)Br)Br)Br)Br	0.693	0.628	0.901	0.758	0.682	0.653	0.999	0.97	0.358	0.999	0.989
Compound_44	O=N(=O)c1cc(c(c(c1Cl)N(=O)=O)Cl)C(F)(F)F	0.993	0.676	0.513	0.71	0.582	0.346	0.991	0.999	0.543	0.988	0.926
Compound_45	Oc1cccc(c1)C[C@@H]1C(=O)OC[C@H]1Cc1cccc(c1)O	0.874	0.6	0.378	0.722	0.942	0.62	0.996	0.391	0.5	0.912	0.567
Compound_46	O[C@@H]1CO[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OS(=O)(=O)O)OS(=O)(=O)O)O	0.579	0.613	0.001	0.282	0.668	0.646	0.075	0.709	0.126	0.349	0.308
Compound_47	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N	0.069	0.814	0.001	0.177	0.233	0.492	0.001	0.008	0.058	0.11	0.105
Compound_48	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl	0.98	0.733	0.558	0.663	0.87	0.647	0.973	0.885	0.244	0.999	0.794
Compound_49	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@H]2C[C@@H]1[C@H]1[C@@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_50	O=S1OC[C@@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.921	0.841	0.521	0.661	0.834	0.419	0.997	0.984	0.087	0.999	0.431
Compound_51	Cl[C@H]1C[C@@H]2[C@H]([C@@H]1Cl)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl	0.991	0.769	0.694	0.68	0.905	0.453	0.986	0.533	0.229	0.999	0.601
Compound_52	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@@H]2C[C@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_53	C1CC=CCCC=C1	0.783	0.14	0.313	0.606	0.283	0.017	0.998	0.829	0.929	0.999	0.567
Compound_54	OC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl	0.706	0.556	0.1	0.488	0.839	0.366	0.817	0.957	0.338	0.908	0.844
Compound_55	ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl	0.968	0.144	0.664	0.603	0.66	0.805	0.998	0.984	0.755	0.999	0.087
Compound_56	ClC(C1=C(Cl)C(=O)OC1O)Cl	0.952	0.385	0.102	0.643	0.196	0.418	0.976	0.989	0.84	0.947	0.918
Compound_57	S=c1[nH][nH]c(=S)s1	0.472	0.375	0.623	0.512	0.374	0.105	0.117	0.02	0.9	0.963	0.678
Compound_58	O=c1[nH]c(=O)[nH]c(=O)[nH]1	0.549	0.188	0.214	0.419	0.377	0.07	0.032	0.037	0.791	0.082	0.505
Compound_59	O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl	0.94	0.588	0.732	0.644	0.905	0.651	0.966	0.933	0.345	0.998	0.904
Compound_60	Nc1[nH][nH]c(=S)n1	0.259	0.371	0.717	0.476	0.27	0.098	0.003	0.031	0.715	0.551	0.578
Compound_61	Nc1nc(N)nc(n1)N	0.582	0.186	0.893	0.534	0.243	0.025	0.002	0.078	0.904	0.473	0.283
Compound_62	Clc1nc(Cl)nc(n1)Cl	0.767	0.217	0.858	0.552	0.4	0.061	0.201	0.886	0.907	0.753	0.05
Compound_63	Clc1ssc(=O)c1Cl	0.912	0.659	0.725	0.56	0.554	0.098	0.997	0.129	0.944	1.0	0.769
Compound_64	Brc1c(Br)c(Br)c2c(c1Br)n[nH]n2	0.457	0.521	0.735	0.415	0.646	0.652	0.969	0.43	0.903	0.688	0.603
Compound_65	ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl	0.914	0.67	0.853	0.609	0.695	0.585	0.998	0.774	0.548	0.998	0.818
Compound_66	ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl	0.906	0.412	0.44	0.648	0.731	0.446	0.988	1.0	0.901	0.997	0.865
Compound_67	Clc1nc(c(c(c1Cl)Cl)Cl)C(Cl)(Cl)Cl	0.648	0.324	0.759	0.648	0.668	0.816	0.99	0.988	0.439	0.983	0.32
Compound_68	OC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl	0.285	0.228	0.839	0.41	0.585	0.479	0.952	0.857	0.706	0.573	0.247
Compound_69	Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl	0.908	0.149	0.843	0.688	0.905	0.902	0.987	0.969	0.796	0.994	0.918
Compound_70	Clc1c(N)c(Cl)c(c(c1Cl)Cl)Cl	0.883	0.218	0.974	0.587	0.093	0.609	0.997	0.188	0.709	0.992	0.399
Compound_71	Clc1c(Cl)c(N(=O)=O)c(c(c1Cl)Cl)Cl	0.969	0.122	0.883	0.617	0.113	0.473	0.999	0.995	0.758	0.999	0.936
Compound_72	ClC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)Cl	0.928	0.11	0.601	0.651	0.644	0.568	1.0	0.998	0.764	0.989	0.849
Compound_73	C=O	0.873	0.216	0.407	0.494	0.449	0.283	0.791	0.904	0.901	0.998	0.893
Compound_74	ClCCOC=C	0.893	0.138	0.385	0.582	0.07	0.024	0.988	0.984	0.914	0.997	0.943
Compound_75	C=CN1CCCC1=O	0.153	0.483	0.259	0.592	0.047	0.063	0.118	0.857	0.337	0.83	0.556
Compound_76	C=CCSSSCC=C	0.758	0.08	0.727	0.639	0.442	0.056	0.998	0.997	0.36	1.0	0.874
Compound_77	C=CCOCC1CO1	0.968	0.209	0.498	0.678	0.782	0.308	0.945	0.986	0.536	0.996	0.935
Compound_78	C=CCOc1nc(OCC=C)nc(n1)OCC=C	0.875	0.212	0.813	0.681	0.24	0.205	0.511	0.976	0.434	0.206	0.574
Compound_79	C=CCOc1c(Br)cc(cc1Br)Br	0.906	0.417	0.934	0.721	0.668	0.714	0.998	0.973	0.323	0.997	0.791
Compound_80	C=CCOC(=O)c1cc(ccc1C(=O)OCC=C)C(=O)OCC=C	0.813	0.223	0.992	0.73	0.147	0.182	0.981	0.906	0.611	0.993	0.756
Compound_81	OCC=C	0.782	0.104	0.183	0.572	0.296	0.072	0.962	0.981	0.123	0.627	0.888
Compound_82	NC(=S)NCC=C	0.105	0.1	0.748	0.489	0.052	0.046	0.002	0.986	0.454	0.191	0.54
Compound_83	C=CCN1CCc2c(CC1)nc(s2)N	0.353	0.206	0.175	0.258	0.093	0.098	0.023	0.047	0.067	0.456	0.241
Compound_84	C=CCN=C=S	0.442	0.097	0.701	0.659	0.109	0.098	0.928	0.997	0.278	0.996	0.927
Compound_85	ClCC=C	0.93	0.055	0.308	0.706	0.565	0.033	0.996	0.996	0.623	0.998	0.913
Compound_86	C=CCCCCCCCCC(=O)O	0.863	0.146	0.128	0.106	0.488	0.02	0.911	0.073	0.028	0.825	0.347
Compound_87	C=CCc1ccccc1O	0.815	0.325	0.914	0.695	0.231	0.273	0.937	0.997	0.253	0.916	0.232
Compound_88	BrCC=C	0.906	0.064	0.308	0.706	0.336	0.027	0.997	0.996	0.377	0.999	0.929
Compound_89	C=CC1=CCCCC1	0.963	0.418	0.814	0.584	0.249	0.176	0.994	0.951	0.905	0.999	0.819
Compound_90	C=Cc1ccncc1	0.536	0.269	0.423	0.575	0.008	0.096	0.012	0.471	0.891	0.884	0.312
Compound_91	C=Cc1ccccn1	0.585	0.258	0.584	0.534	0.032	0.195	0.064	0.978	0.901	0.876	0.426
Compound_92	C=Cc1ccccc1C=C	0.968	0.262	0.667	0.571	0.063	0.022	0.996	0.938	0.908	0.997	0.582
Compound_93	C=Cc1ccccc1	0.97	0.287	0.612	0.583	0.051	0.076	0.998	0.976	0.917	0.997	0.419
Compound_94	C=Cc1ccc(cc1)C=C	0.966	0.287	0.579	0.576	0.05	0.096	0.999	0.986	0.932	0.997	0.419
Compound_95	C=CC=O	0.914	0.199	0.557	0.625	0.279	0.618	0.999	0.999	0.918	1.0	0.908
Compound_96	C=CC=C	0.902	0.104	0.63	0.645	0.172	0.009	0.997	0.996	0.902	0.999	0.864
Compound_97	OCCOC(=O)C=C	0.952	0.239	0.148	0.706	0.793	0.847	0.993	0.989	0.535	0.82	0.654
Compound_98	C=CC(=O)OCCC#N	0.984	0.142	0.162	0.756	0.803	0.402	0.999	0.998	0.804	0.435	0.938
Compound_99	C=CC(=O)OCC(COC(=O)C=C)(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)CO	0.952	0.125	0.132	0.695	0.885	0.976	0.993	0.983	0.839	0.954	0.924
Compound_100	C=CC(=O)NCNC(=O)C=C	0.425	0.056	0.313	0.559	0.206	0.04	0.002	0.997	0.535	0.344	0.723