Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O	0.049	0.543	0.016	0.164	0.213	0.708	0.107	0.05	0.169	0.69	0.087
Compound_2	N#Cc1ccc(cc1C(F)(F)F)NC(=O)C(CS(=O)(=O)c1ccc(cc1)F)(O)C	0.575	0.506	0.903	0.711	0.824	0.53	0.855	0.957	0.406	0.674	0.453
Compound_3	CN(Cc1cccc2c1cccc2)CC=CC#CC(C)(C)C	0.217	0.499	0.202	0.195	0.054	0.929	0.033	0.248	0.593	0.46	0.22
Compound_4	CCCN(CCC)CCc1cccc2c1CC(=O)N2	0.053	0.514	0.158	0.108	0.022	0.032	0.454	0.039	0.666	0.7	0.205
Compound_5	CCCN(C1CCc2c(C1)cccc2O)CCc1cccs1	0.311	0.536	0.418	0.264	0.285	0.662	0.013	0.318	0.538	0.971	0.478
Compound_6	NCC1CC1(c1ccccc1)C(=O)N(CC)CC	0.012	0.435	0.058	0.472	0.009	0.079	0.001	0.005	0.286	0.188	0.2
Compound_7	CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.122	0.563	0.015	0.154	0.777	0.601	0.044	0.058	0.415	0.002	0.137
Compound_8	O=C1N(COP(=O)(O)O)C(=O)NC1(c1ccccc1)c1ccccc1	0.299	0.534	0.019	0.196	0.093	0.193	0.591	0.005	0.271	0.019	0.436
Compound_9	COc1ccc(cc1)C(C1(O)CCCCC1)CN(C)C	0.07	0.384	0.002	0.232	0.249	0.87	0.039	0.06	0.233	0.004	0.06
Compound_10	OC(=O)CC(CC(C=Cc1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O	0.767	0.593	0.928	0.706	0.864	0.689	0.209	0.854	0.102	0.225	0.108
Compound_11	Clc1ccc(cc1)C1CCC(CC1)C1=C(O)c2c(C(=O)C1=O)cccc2	0.795	0.621	0.627	0.543	0.963	0.975	0.973	0.937	0.263	0.089	0.967
Compound_12	CCCCCCCCCCCC(CC1OC(=O)C1CCCCCC)OC(=O)C(CC(C)C)NC=O	0.137	0.423	0.129	0.298	0.261	0.174	0.12	0.118	0.404	0.972	0.5
Compound_13	CC(NCC(c1ccc(cc1)O)O)CCc1ccc(cc1)O	0.013	0.528	0.004	-0.006	0.235	0.132	0.002	0.013	0.043	0.005	0.026
Compound_14	CCC(=O)OC(C(C)C)OP(=O)(CC(=O)N1CC(CC1C(=O)O)C1CCCCC1)CCCCc1ccccc1	0.423	0.467	0.095	0.292	0.539	0.543	0.694	0.917	0.279	0.509	0.256
Compound_15	CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F	0.385	0.343	0.006	0.051	0.36	0.077	0.521	0.033	0.377	0.003	0.153
Compound_16	Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F	0.952	0.499	0.004	0.102	0.886	0.499	0.789	0.186	0.452	0.001	0.123
Compound_17	CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cc1)F)C(=O)O	0.946	0.687	0.012	0.165	0.908	0.507	0.845	0.069	0.517	0.001	0.067
Compound_18	O=C1C=CC2(C(N1)CCC1C2CCC2(C1CCC2C(=O)NC(C)(C)C)C)C	0.352	0.755	0.011	0.436	0.415	0.964	0.613	0.851	0.402	0.868	0.159
Compound_19	CCN(c1ccc(c(c1)C)N=C1C=C(C(=O)Nc2ccccc2)C(=O)c2c1cccc2)CC	0.473	0.668	0.995	0.614	0.536	0.81	0.859	0.825	0.596	0.952	0.712
Compound_20	CCC(N1CCCC1=O)C(=O)N	0.015	0.268	0.023	0.193	0.024	0.01	0.004	0.023	0.114	0.214	0.247
Compound_21	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_22	CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2	0.235	0.477	0.042	0.174	0.24	0.666	0.023	0.077	0.147	0.414	0.432
Compound_23	CCOc1ccccc1OCCNC(Cc1ccc(c(c1)S(=O)(=O)N)OC)C	0.045	0.594	0.017	0.197	0.206	0.514	0.056	0.001	0.233	0.026	0.172
Compound_24	Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2	0.403	0.588	0.525	0.053	0.347	0.684	0.019	0.45	0.695	0.035	0.181
Compound_25	CC1SCC2(O1)CN1CCC2CC1	0.505	0.572	0.002	0.164	0.119	0.113	0.004	0.138	0.316	0.135	0.258
Compound_26	COC(=O)C1CC2=CC(=O)CCC2(C23C1C1CCC4(C1(C)CC3O2)CCC(=O)O4)C	0.952	0.97	0.186	0.911	0.988	0.888	0.364	0.961	0.472	0.995	0.741
Compound_27	CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F	0.259	0.244	0.002	0.146	0.824	0.098	0.716	0.291	0.391	0.001	0.116
Compound_28	CC1NC(C)CN(C1)c1c(F)c(N)c2c(c1F)n(cc(c2=O)C(=O)O)C1CC1	0.122	0.412	0.036	0.164	0.435	0.109	0.557	0.661	0.42	0.001	0.144
Compound_29	CCc1ccc(nc1)CCOc1ccc(cc1)CC1SC(=O)NC1=O	0.278	0.149	0.674	0.527	0.316	0.835	0.249	0.946	0.199	0.005	0.475
Compound_30	OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2	0.149	0.485	0.183	0.18	0.793	0.345	0.016	0.024	0.157	0.235	0.09
Compound_31	N#Cc1ccc(cc1)C(n1cncn1)c1ccc(cc1)C#N	0.666	0.374	0.225	0.77	0.289	0.098	0.673	0.031	0.723	0.744	0.785
Compound_32	COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)ccs2	0.159	0.656	0.163	0.234	0.458	0.447	0.211	0.057	0.464	0.097	0.345
Compound_33	OC(=O)C1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C	0.333	0.646	0.001	0.162	0.229	0.539	0.315	0.046	0.339	0.018	0.044
Compound_34	O=C1CN2C3CC1CC2CC(C3)OC(=O)c1c[nH]c2c1cccc2	0.311	0.588	0.741	0.282	0.488	0.625	0.442	0.175	0.224	0.142	0.83
Compound_35	COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2	0.287	0.604	0.997	0.509	0.323	0.723	0.417	0.935	0.382	0.134	0.084
Compound_36	COc1cc2c(cc1OC)CC(C2=O)CC1CCN(CC1)Cc1ccccc1	0.314	0.812	0.759	0.642	0.198	0.914	0.075	0.08	0.404	0.012	0.119
Compound_37	N#CC(c1cc(cc(c1)C(C#N)(C)C)Cn1ncnc1)(C)C	0.355	0.514	0.393	0.827	0.088	0.396	0.437	0.036	0.555	0.06	0.533
Compound_38	CC1CCC2C(C31COC(OC3)(C)C)C2(C)C	0.961	0.517	0.078	0.522	0.4	0.177	0.376	0.22	0.52	0.986	0.608
Compound_39	CC1CCC2C(C31COC(OC3)(C)C)C2(C)C	0.961	0.517	0.078	0.522	0.4	0.177	0.376	0.22	0.52	0.986	0.608
Compound_40	CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC	0.617	0.456	0.74	0.525	0.156	0.916	0.692	0.019	0.629	0.715	0.466
Compound_41	O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C	0.32	0.449	0.312	0.469	0.207	0.472	0.16	0.72	0.262	0.053	0.194
Compound_42	COc1cc(ccc1O)C1OCCC(=C)C1	0.81	0.594	0.277	0.683	0.777	0.06	0.551	0.747	0.356	0.104	0.724
Compound_43	COc1c(CC=C(CCC(=O)OCCN2CCOCC2)C)c(O)c2c(c1C)COC2=O	0.648	0.718	0.382	0.721	0.56	0.779	0.974	0.81	0.058	0.719	0.58
Compound_44	O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCCC1Cc2cc(O)ccc2C2C1C1CCC(C1(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_45	Cc1ccnc2c1[nH]c(=O)c1c(n2C2CC2)nccc1	0.32	0.707	0.198	0.644	0.158	0.098	0.018	0.129	0.609	0.018	0.171
Compound_46	O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl	0.174	0.559	0.671	0.324	0.527	0.689	0.321	0.899	0.469	0.501	0.34
Compound_47	CCCC1OCCC(C1)(C)OC(=O)C	0.945	0.366	0.014	0.543	0.089	0.025	0.964	0.764	0.739	0.956	0.672
Compound_48	CC1COC(O1)(C)c1ccc2c(c1)C(C)(C)CCC2(C)C	0.699	0.547	0.455	0.608	0.453	0.819	0.331	0.598	0.503	0.679	0.787
Compound_49	CN1CCN(CC1)C1=Nc2ccccc2Nc2c1cc(s2)C	0.281	0.785	0.406	0.239	0.313	0.585	0.026	0.021	0.608	0.022	0.021
Compound_50	CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)C=C(C(=O)O)Cc1cccs1	0.636	0.737	0.183	0.408	0.413	0.824	0.634	0.312	0.376	0.907	0.087
Compound_51	OC(CC(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_52	C#CCNC1CCc2c1cccc2	0.138	0.3	0.114	0.32	0.17	0.098	0.002	0.02	0.522	0.187	0.308
Compound_53	CCCCC(=O)N(C(C(=O)O)C(C)C)Cc1ccc(cc1)c1ccccc1c1n[nH]nn1	0.145	0.688	0.124	0.356	0.321	0.71	0.936	0.076	0.306	0.459	0.385
Compound_54	Nc1nc(=O)n(cc1F)C1CSC(O1)CO	0.283	0.12	0.035	0.429	0.327	0.098	0.025	0.577	0.237	0.001	0.087
Compound_55	CCCCS(=O)(=O)NC(C(=O)O)Cc1ccc(cc1)OCCCCC1CCNCC1	0.265	0.425	0.028	0.299	0.062	0.664	0.116	0.087	0.355	0.728	0.243
Compound_56	COCc1c(c2ccc(cc2)F)c(C=CC(CC(CC(=O)O)O)O)c(nc1C(C)C)C(C)C	0.827	0.816	0.883	0.455	0.443	0.567	0.506	0.777	0.223	0.158	0.224
Compound_57	O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2	0.396	0.527	0.721	0.233	0.651	0.812	0.813	0.796	0.795	0.483	0.087
Compound_58	NC1C2C1CN(C2)c1nc2c(cc1F)c(=O)c(cn2c1ccc(cc1F)F)C(=O)O	0.917	0.84	0.185	0.301	0.932	0.734	0.97	0.971	0.391	0.004	0.231
Compound_59	NCC(CC(=O)O)CC(C)C	0.01	0.057	0.038	0.152	0.026	0.004	0.0	0.007	0.049	0.0	0.011
Compound_60	CCN(c1cccc(c1)c1ccnc2n1ncc2C#N)C(=O)C	0.487	0.664	0.069	0.649	0.359	0.553	0.362	0.029	0.664	0.072	0.649
Compound_61	Cc1cc2c(cc1C(=C)c1ccc(cc1)C(=O)O)C(C)(C)CCC2(C)C	0.952	0.415	0.095	0.382	0.823	0.945	0.965	0.608	0.058	0.996	0.762
Compound_62	CC1(C)C2CCC3(C1C1(OCCO1)CCC3(C)C)C2	0.958	0.556	0.339	0.384	0.732	0.471	0.586	0.194	0.398	0.991	0.71
Compound_63	FC(C1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F	0.728	0.595	0.954	0.726	0.734	0.898	0.567	0.989	0.353	0.568	0.721
Compound_64	CNC1Cc2c(CC1)[nH]c1c2cc(cc1)C(=O)N	0.377	0.546	0.473	0.285	0.406	0.726	0.259	0.022	0.373	0.066	0.309
Compound_65	O=C1OCC(=C1c1ccccc1)c1ccc(cc1)S(=O)(=O)C	0.608	0.629	0.499	0.572	0.459	0.552	0.918	0.271	0.375	0.983	0.345
Compound_66	Oc1ccc(cc1)C1C(CCC(c2ccc(cc2)F)O)C(=O)N1c1ccc(cc1)F	0.731	0.493	0.304	0.47	0.912	0.791	0.435	0.198	0.572	0.028	0.287
Compound_67	CC(=O)NCC1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1	0.652	0.54	0.13	0.285	0.158	0.376	0.091	0.39	0.398	0.184	0.081
Compound_68	CC(CC1OCC(CO1)C)C	0.822	0.095	0.389	0.481	0.033	0.045	0.987	0.517	0.522	0.954	0.26
Compound_69	Clc1ccc2c(c1)nn(n2)c1ccc(cc1O)OC(=O)c1ccccc1	0.567	0.692	0.607	0.634	0.474	0.745	0.977	0.222	0.721	0.351	0.832
Compound_70	Cc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)N)C(F)(F)F	0.337	0.406	0.006	0.406	0.744	0.561	0.963	0.971	0.19	0.028	0.561
Compound_71	O=C1N(C)CC(=O)N2C1Cc1c(C2c2ccc3c(c2)OCO3)[nH]c2c1cccc2	0.615	0.695	0.981	0.452	0.572	0.673	0.44	0.785	0.313	0.226	0.773
Compound_72	NCC1CN(CC1=NOC)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O	0.353	0.617	0.029	0.246	0.582	0.608	0.005	0.354	0.366	0.012	0.415
Compound_73	Cc1onc(c1c1ccc(cc1)S(=O)(=O)N)c1ccccc1	0.896	0.49	0.025	0.383	0.669	0.654	0.954	0.03	0.227	0.007	0.165
Compound_74	CCCCCCC(COC(=O)c1ccccc1O)CCCC	0.805	0.378	0.047	0.618	0.596	0.298	0.801	0.035	0.248	0.847	0.703
Compound_75	CCOC(=O)C1=CC(C(C(C1)N)NC(=O)C)OC(CC)CC	0.404	0.547	0.091	0.384	0.065	0.119	0.034	0.764	0.315	0.606	0.451
Compound_76	O=C1NC(CC2OC2(C)CCCC(C(C(C(=O)C(C(C1)O)(C)C)C)O)C)C(=Cc1csc(n1)C)C	0.536	0.814	0.035	0.467	0.284	0.71	0.148	0.87	0.391	0.933	0.83
Compound_77	CC(c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F	0.191	0.493	0.228	0.419	0.392	0.898	0.904	0.118	0.95	0.008	0.24
Compound_78	N1CC2CC(C1)c1c2cc2c(c1)nccn2	0.038	0.612	0.045	0.336	0.093	0.486	0.021	0.031	0.33	0.272	0.615
Compound_79	CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(cc1O)N(CC)CC	0.929	0.697	0.928	0.736	0.9	0.36	0.977	0.947	0.57	0.523	0.823
Compound_80	NC(Cc1cc(F)c(cc1F)F)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F	0.315	0.659	0.207	0.614	0.151	0.696	0.205	0.941	0.44	0.057	0.106