Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CC1CC(O)CC(C1)(C)C	0.834	0.225	0.044	0.531	0.123	0.069	0.474	0.277	0.348	0.619	0.182
Compound_2	Oc1cccc2c1C(=O)c1c(C2=O)cccc1O	0.925	0.811	0.947	0.796	0.818	0.917	0.967	0.992	0.785	0.212	0.991
Compound_3	COc1ccc(cc1)C1C(=O)c2c(C1=O)cccc2	0.382	0.773	0.802	0.583	0.729	0.983	0.925	0.016	0.058	0.085	0.959
Compound_4	CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC	0.952	0.113	0.275	0.535	0.093	0.105	0.993	0.016	0.593	0.992	0.769
Compound_5	COCCOC(=O)c1ccccc1C(=O)OCCOC	0.741	0.109	0.917	0.579	0.083	0.038	0.983	0.006	0.658	0.503	0.363
Compound_6	CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC	0.79	0.11	0.494	0.593	0.119	0.048	0.992	0.067	0.666	0.993	0.726
Compound_7	CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC	0.964	0.108	0.591	0.596	0.09	0.108	0.993	0.27	0.756	0.995	0.825
Compound_8	CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F	0.045	0.676	0.199	0.186	0.886	0.177	0.918	0.23	0.863	0.009	0.605
Compound_9	CC(=O)Nc1c(I)c(NC(=O)C)c(c(c1I)C(=O)O)I	0.057	0.512	0.036	0.294	0.192	0.226	0.007	0.015	0.175	0.066	0.123
Compound_10	Oc1ccccc1C(=O)c1ccccc1	0.933	0.717	0.932	0.81	0.621	0.824	0.969	0.878	0.511	0.83	0.858
Compound_11	CN(CCOC(c1ccc(cc1)Br)c1ccccc1)C	0.112	0.171	0.028	0.072	0.188	0.618	0.004	0.033	0.333	0.012	0.116
Compound_12	OCCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC	0.04	0.178	0.321	0.142	0.507	0.098	0.004	0.065	0.058	0.804	0.544
Compound_13	CC1CC(OC(=O)c2ccccc2O)CC(C1)(C)C	0.749	0.607	0.054	0.582	0.792	0.774	0.434	0.059	0.15	0.919	0.399
Compound_14	O=C(c1ccccc1O)OCc1ccccc1	0.564	0.68	0.597	0.629	0.646	0.512	0.979	0.193	0.205	0.23	0.657
Compound_15	CCCCC(COC(=O)c1ccccc1O)CC	0.749	0.378	0.047	0.612	0.392	0.141	0.126	0.034	0.161	0.847	0.703
Compound_16	CCOC(=O)c1ccccc1O	0.527	0.247	0.805	0.67	0.3	0.098	0.041	0.092	0.057	0.347	0.191
Compound_17	CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC	0.966	0.108	0.591	0.596	0.14	0.149	0.993	0.27	0.756	0.995	0.825
Compound_18	COC(=O)c1ccccc1O	0.682	0.183	0.232	0.567	0.228	0.066	0.043	0.032	0.169	0.125	0.089
Compound_19	OC(C(=O)c1ccccc1)c1ccccc1	0.048	0.569	0.175	0.349	0.093	0.833	0.891	0.051	0.186	0.35	0.869
Compound_20	O=C(c1ccccc1)c1ccccc1	0.957	0.662	0.665	0.53	0.13	0.756	0.948	0.255	0.876	0.993	0.959
Compound_21	CC=Cc1ccc(c(c1)OC)OCc1ccccc1	0.75	0.516	0.868	0.756	0.662	0.642	0.917	0.723	0.649	0.928	0.919
Compound_22	COc1cc(C=O)ccc1OC	0.554	0.159	0.483	0.6	0.179	0.413	0.632	0.011	0.539	0.64	0.373
Compound_23	CC=Cc1ccc(c(c1)OC)OC(=O)Cc1ccccc1	0.569	0.463	0.89	0.74	0.669	0.25	0.951	0.727	0.351	0.925	0.527
Compound_24	CCOC(=O)c1ccc(cc1)O	0.619	0.148	0.987	0.715	0.872	0.915	0.829	0.022	0.741	0.031	0.128
Compound_25	O=C(c1ccccc1)OCc1ccccc1	0.658	0.693	0.88	0.613	0.194	0.755	0.998	0.087	0.821	0.663	0.888
Compound_26	c1ccc2c(c1)[nH]cc2	0.694	0.557	0.971	0.517	0.231	0.666	0.018	0.814	0.971	0.979	0.867
Compound_27	O=C1CCCC1	0.856	0.24	0.32	0.482	0.038	0.034	0.838	0.683	0.381	0.99	0.83
Compound_28	Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N	0.405	0.375	0.038	0.137	0.63	0.614	0.402	0.858	0.331	0.2	0.242
Compound_29	CCOc1cc(C=O)ccc1O	0.411	0.156	0.37	0.671	0.526	0.171	0.384	0.727	0.224	0.646	0.423
Compound_30	COc1cc(C=O)ccc1O	0.681	0.134	0.291	0.674	0.472	0.221	0.506	0.022	0.543	0.54	0.341
Compound_31	CN(c1ccccc1)C	0.965	0.411	0.911	0.519	0.145	0.195	0.979	0.885	0.457	0.956	0.414
Compound_32	CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC	0.626	0.038	0.842	0.698	0.3	0.133	0.99	0.957	0.46	0.999	0.757
Compound_33	O=Cc1ccc(cc1)C(C)C	0.805	0.129	0.294	0.496	0.039	0.352	0.966	0.052	0.874	0.951	0.406
Compound_34	CC(Cc1ccccc1)(N)C	0.116	0.122	0.148	0.453	0.005	0.159	0.636	0.014	0.781	0.021	0.036
Compound_35	COc1nc(OC)nc(c1)NS(=O)(=O)c1ccc(cc1)N	0.053	0.171	0.063	0.07	0.156	0.421	0.004	0.009	0.137	0.001	0.108
Compound_36	CCCCCC(=Cc1ccccc1)C=O	0.948	0.245	0.712	0.598	0.046	0.269	0.981	0.987	0.791	0.999	0.893
Compound_37	COc1cc(CCC(=O)C)ccc1O	0.76	0.203	0.334	0.652	0.344	0.085	0.932	0.664	0.52	0.423	0.219
Compound_38	CC(COC(=O)C=Cc1ccccc1)C	0.965	0.175	0.6	0.805	0.292	0.478	0.991	0.904	0.482	0.953	0.275
Compound_39	O=C(C=Cc1ccccc1)OCCCc1ccccc1	0.904	0.793	0.444	0.82	0.747	0.951	0.999	0.936	0.661	0.79	0.846
Compound_40	COc1ccc(cc1)COC=O	0.505	0.132	0.825	0.704	0.293	0.226	0.888	0.021	0.749	0.365	0.118
Compound_41	OC(=O)CCCCCCCC(=O)O	0.754	0.021	0.167	0.12	0.12	0.025	0.063	0.036	0.039	0.16	0.087
Compound_42	CC(=O)OC1CC2C(C1(C)CC2)(C)C	0.937	0.616	0.032	0.426	0.603	0.102	0.061	0.574	0.705	0.998	0.341
Compound_43	Oc1ccc(cc1)C1(c2ccc(cc2)O)C(=O)Nc2c1cccc2	0.876	0.798	0.88	0.644	0.98	0.987	0.924	0.343	0.491	0.08	0.968
Compound_44	COc1ccc2c3c1OC1C43CCN(C(C2)C4CCC1O)C	0.511	0.795	0.017	0.138	0.174	0.189	0.005	0.07	0.026	0.025	0.493
Compound_45	COc1ccc2c3c1OC1C43CCN(C(C2)C4CCC1=O)C	0.608	0.76	0.303	0.167	0.052	0.42	0.008	0.069	0.059	0.007	0.596
Compound_46	CCC1(C(=O)NCNC1=O)c1ccccc1	0.066	0.423	0.205	0.258	0.024	0.079	0.0	0.076	0.353	0.006	0.235
Compound_47	CCC(C1(CC)C(=O)NC(=O)NC1=O)C	0.233	0.337	0.069	0.205	0.06	0.074	0.001	0.043	0.255	0.545	0.133
Compound_48	CN1CCCN=C1COC(=O)C(c1ccccc1)(C1CCCCC1)O	0.135	0.514	0.046	0.531	0.136	0.239	0.04	0.028	0.332	0.002	0.062
Compound_49	CCC1(CC)C(=O)NCC(C1=O)C	0.081	0.418	0.09	0.243	0.012	0.071	0.0	0.042	0.415	0.549	0.237
Compound_50	COc1ccc2c(c1)C13CCCCC3C(C2)N(CC1)C	0.264	0.792	0.041	0.253	0.215	0.809	0.007	0.368	0.273	0.013	0.586
Compound_51	CCC1(CCC(=O)NC1=O)c1ccc(cc1)N	0.053	0.563	0.052	0.306	0.108	0.549	0.049	0.025	0.654	0.003	0.286
Compound_52	COC1=CC(=O)CC(C21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C	0.952	0.73	0.089	0.79	0.371	0.51	0.993	0.582	0.397	0.444	0.962
Compound_53	C#CC1(CCCCC1)OC(=O)N	0.588	0.327	0.008	0.289	0.096	0.482	0.033	0.019	0.226	0.049	0.365
Compound_54	C=CC(OC(=O)c1ccccc1)(CCC=C(C)C)C	0.841	0.107	0.374	0.674	0.116	0.173	0.919	0.997	0.604	0.979	0.577
Compound_55	C=CC(CCC=C(C)C)(O)C	0.773	0.12	0.104	0.56	0.298	0.032	0.068	0.973	0.472	0.459	0.881
Compound_56	NC(=O)NO	0.536	0.161	0.379	0.253	0.606	0.044	0.013	0.014	0.399	0.094	0.189
Compound_57	OC(=O)C(=O)C	0.487	0.062	0.046	0.192	0.031	0.012	0.937	0.176	0.081	0.146	0.43
Compound_58	OCC(=O)C1(O)CCC2C1(C)CC(O)C1(C2CCC2=CC(=O)CCC12C)F	0.96	1.0	0.031	0.98	0.612	0.879	0.002	0.01	0.05	0.018	0.029
Compound_59	O=C1OC(C(=O)N1C)(C)C	0.053	0.324	0.044	0.538	0.011	0.042	0.078	0.685	0.24	0.184	0.144
Compound_60	CC1=CCCC(C1C=C(C(=O)C)C)(C)C	0.97	0.202	0.815	0.616	0.256	0.049	0.173	0.872	0.907	0.998	0.759
Compound_61	Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C	0.143	0.177	0.019	0.168	0.336	0.516	0.187	0.011	0.069	0.031	0.192
Compound_62	Nc1ccc(cc1)S(=O)(=O)NC(=O)c1ccccc1	0.053	0.24	0.016	0.101	0.136	0.403	0.135	0.005	0.086	0.009	0.105
Compound_63	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C	0.07	0.324	0.042	0.307	0.095	0.277	0.0	0.026	0.303	0.007	0.242
Compound_64	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1	0.045	0.299	0.037	0.26	0.084	0.245	0.001	0.012	0.126	0.015	0.233
Compound_65	Nc1ccc(cc1)S(=O)(=O)Nc1nccc(n1)C	0.053	0.167	0.012	0.108	0.133	0.283	0.0	0.004	0.274	0.004	0.254
Compound_66	OC1CCC2(C(C1)CC(C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)O)C	0.672	0.915	0.042	0.113	0.806	0.814	0.021	0.819	0.047	0.992	0.087
Compound_67	Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C	0.57	0.051	0.536	0.582	0.279	0.927	0.041	0.9	0.94	0.988	0.5
Compound_68	CC(c1cccc(c1O)C(C)(C)C)(C)C	0.73	0.051	0.34	0.572	0.238	0.613	0.056	0.84	0.853	0.988	0.5
Compound_69	Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N	0.813	0.57	0.961	0.701	0.45	0.104	0.993	0.964	0.738	0.742	1.001
Compound_70	CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1	0.544	0.628	0.028	0.053	0.083	0.236	0.001	0.007	0.723	0.003	0.066
Compound_71	CCCCC1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1	0.776	0.28	0.285	0.434	0.767	0.844	0.097	0.147	0.41	0.309	0.319
Compound_72	Ic1cc(Cl)c2c(c1O)nccc2	0.722	0.614	0.818	0.274	0.565	0.898	0.076	0.561	0.511	0.998	0.963
Compound_73	C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)O	0.079	0.756	0.957	0.342	0.5	0.533	0.023	0.048	0.416	0.126	0.087
Compound_74	COC(=O)C1C(OC)C(CC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1)OC(=O)c1cc(OC)c(c(c1)OC)OC	0.669	0.83	0.474	0.268	0.833	0.729	0.975	0.185	0.727	0.123	0.804
Compound_75	COC(=O)c1ccccc1C(=O)OC	0.923	0.081	0.679	0.51	0.036	0.021	0.994	0.006	0.731	0.218	0.229
Compound_76	CCCOC(=O)c1ccccc1C(=O)OCCC	0.801	0.096	0.712	0.607	0.068	0.039	0.974	0.025	0.425	0.692	0.5
Compound_77	C=CCOC(=O)c1ccccc1C(=O)OCC=C	0.856	0.223	0.963	0.689	0.063	0.065	0.995	0.898	0.371	0.993	0.756
Compound_78	CCCCCOC(=O)c1ccccc1C(=O)OCCCCC	0.921	0.112	0.591	0.596	0.099	0.049	0.988	0.27	0.706	0.951	0.734
Compound_79	COc1ccc(c(c1)O)C(=O)c1ccccc1O	0.922	0.775	0.958	0.855	0.924	0.918	0.99	0.067	0.491	0.266	0.879
Compound_80	Oc1ccc(c(c1)O)C(=O)c1ccc(cc1O)O	0.965	0.776	0.952	0.816	0.92	0.982	0.99	0.975	0.718	0.832	0.703
Compound_81	Oc1ccc(c(c1)O)C(=O)c1ccccc1	0.962	0.801	0.944	0.821	0.923	0.985	0.993	0.865	0.718	0.664	0.749
Compound_82	COc1ccc(c(c1)O)C(=O)c1ccccc1	0.93	0.738	0.95	0.837	0.925	0.931	0.957	0.015	0.715	0.141	0.808
Compound_83	CCCCOC(=O)c1ccccc1C(=O)O	0.679	0.109	0.266	0.412	0.105	0.066	0.984	0.057	0.578	0.132	0.552
Compound_84	CN(CCC(c1ccccn1)c1ccc(cc1)Br)C	0.087	0.445	0.02	0.177	0.211	0.645	0.003	0.041	0.444	0.002	0.057
Compound_85	CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C	0.053	0.372	0.02	0.177	0.203	0.551	0.023	0.041	0.289	0.003	0.087
Compound_86	CCN(CCOC(=O)c1ccc(cc1Cl)N)CC	0.05	0.38	0.263	0.202	0.538	0.488	0.031	0.101	0.271	0.203	0.414
Compound_87	ClC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl	0.053	0.249	0.009	0.045	0.114	0.265	0.001	0.153	0.218	0.02	0.082
Compound_88	CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C	0.541	0.532	0.379	0.499	0.551	0.78	0.856	0.075	0.511	0.711	0.294
Compound_89	CC1NCCOC1c1ccccc1	0.016	0.396	0.021	0.205	0.002	0.015	0.001	0.009	0.21	0.022	0.061
Compound_90	ClCC1Nc2cc(Cl)c(cc2S(=O)(=O)N1C)S(=O)(=O)N	0.068	0.369	0.007	0.16	0.093	0.226	0.002	0.927	0.36	0.042	0.105
Compound_91	FC(c1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N)(F)F	0.053	0.325	0.008	0.073	0.44	0.599	0.005	0.039	0.253	0.001	0.272
Compound_92	OCC(COC(=O)c1ccc(cc1)N)O	0.077	0.414	0.868	0.569	0.055	0.779	0.328	0.004	0.251	0.008	0.173
Compound_93	Cc1ccc2c(c1)n[nH]n2	0.455	0.56	0.664	0.443	0.255	0.129	0.993	0.353	0.948	0.299	0.642
Compound_94	CCN(CC(=O)Nc1c(C)cccc1C)CC	0.046	0.468	0.083	0.085	0.017	0.009	0.001	0.003	0.355	0.023	0.087
Compound_95	COc1cc(cc(c1OC)OC)C(=O)NCc1ccc(cc1)OCCN(C)C	0.053	0.463	0.013	0.662	0.093	0.61	0.007	0.016	0.058	0.002	0.026
Compound_96	OC1CC(=CC(C1O)O)C(=O)O	0.72	0.317	0.045	0.279	0.339	0.163	0.06	0.72	0.181	0.369	0.01