Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	[O-]C(=O)C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F	0.931	0.033	0.374	0.564	0.317	0.019	0.977	0.791	0.148	0.949	0.971
Compound_2	[O-]C(=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	0.957	0.025	0.515	0.679	0.384	0.03	0.997	0.825	0.105	0.949	0.975
Compound_3	[O-]C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.952	0.025	0.515	0.679	0.384	0.03	0.997	0.825	0.105	0.949	0.975
Compound_4	[O-]C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	0.931	0.025	0.515	0.679	0.256	0.017	0.978	0.825	0.109	0.949	0.975
Compound_5	[O-]C(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F	0.921	0.025	0.515	0.679	0.258	0.019	0.955	0.825	0.119	0.949	0.975
Compound_6	FC(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.818	0.12	0.55	0.744	0.173	0.096	0.995	0.224	0.337	0.997	0.251
Compound_7	CCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.652	0.29	0.036	0.818	0.694	0.816	0.984	0.972	0.723	0.364	0.349
Compound_8	CCCCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.652	0.29	0.036	0.818	0.694	0.816	0.984	0.972	0.723	0.364	0.349
Compound_9	CCCCCCCCCCCCCCCC[N+](CCOC(=O)C=C)(C)C	0.652	0.29	0.036	0.818	0.694	0.816	0.984	0.972	0.723	0.364	0.349
Compound_10	CCCCCCCCCCCC[N+](CC=C)(C)C	0.888	0.715	0.047	0.708	0.235	0.718	0.993	0.955	0.569	0.088	0.376
Compound_11	CCCCCCCCCCCCCCCC[N+](CC=C)(C)C	0.888	0.715	0.047	0.708	0.235	0.718	0.993	0.955	0.569	0.088	0.376
Compound_12	CCCCCCCCCCCCCCCCCC[N+](CC=C)(C)C	0.888	0.715	0.047	0.708	0.235	0.718	0.993	0.955	0.569	0.088	0.376
Compound_13	CCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.653	0.734	0.033	0.609	0.059	0.796	0.975	0.268	0.606	0.06	0.267
Compound_14	CCCCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.653	0.734	0.033	0.609	0.059	0.796	0.975	0.268	0.606	0.06	0.267
Compound_15	CCCCCCCCCCCCCCCC[N+](CCCN=CCCC)(C)C	0.653	0.734	0.033	0.609	0.059	0.796	0.975	0.268	0.606	0.06	0.267
Compound_16	CCCCCCC1(CCCCCC)OCC(O1)C[N+](C)(C)C	0.17	0.514	0.019	0.488	0.129	0.274	0.657	0.52	0.266	0.519	0.223
Compound_17	CCCCCCCCC(C[N+](C)(C)C)CCCCCC	0.94	0.663	0.031	0.55	0.045	0.7	0.84	0.371	0.566	0.421	0.237
Compound_18	OCC[N+](CC(CCCCCCCC)CCCCCCCC)(C)C	0.576	0.358	0.007	0.498	0.038	0.551	0.271	0.047	0.456	0.054	0.157
Compound_19	CCCCCCCCC1(C)OCC(O1)C[N+](C)(C)C	0.169	0.514	0.019	0.501	0.129	0.274	0.657	0.52	0.293	0.519	0.223
Compound_20	CCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.058	0.163	0.092	0.614	0.254	0.519	0.223
Compound_21	CCCCCCCCCC(=O)NC(C(=O)OC)CCCNC([N+])N	0.09	0.114	0.006	0.355	0.062	0.032	0.199	0.012	0.331	0.114	0.098
Compound_22	CCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.079	0.218	0.657	0.614	0.254	0.519	0.223
Compound_23	CCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.034	0.37	0.016	0.357	-0.0	0.309	0.254	0.108	0.385	0.013	0.127
Compound_24	CCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.78	0.512	0.052	0.603	0.667	0.767	0.373	0.314	0.292	0.142	0.294
Compound_25	CCCCCCCCCCC1(C)OCC(O1)C[N+](C)(C)C	0.169	0.514	0.019	0.501	0.129	0.274	0.657	0.52	0.293	0.519	0.223
Compound_26	CCCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.079	0.218	0.657	0.614	0.254	0.519	0.223
Compound_27	CCCCCCCCCCCC(=O)NC(C(=O)OC)CCCNC([N+])N	0.09	0.114	0.006	0.355	0.062	0.032	0.199	0.012	0.331	0.114	0.098
Compound_28	CCCCCCCCCCCC(=O)NCCC[N+](CC(CO)O)(C)C	0.081	0.231	0.0	0.315	0.019	0.175	0.006	0.006	0.367	0.001	0.129
Compound_29	CCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.239	0.378	0.014	0.331	-0.0	0.428	0.571	0.109	0.424	0.018	0.101
Compound_30	CCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.77	0.646	0.43	0.718	0.241	0.428	0.166	0.989	0.085	0.921	0.675
Compound_31	CCCCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.079	0.218	0.657	0.614	0.254	0.519	0.223
Compound_32	CCCCCCCCCCCCC(=O)NCC[N+](C)(C)C	0.103	0.3	0.006	0.35	0.007	0.133	0.142	0.06	0.319	0.049	0.211
Compound_33	CCCCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.034	0.37	0.016	0.357	-0.0	0.309	0.254	0.108	0.385	0.013	0.127
Compound_34	CCCCCCCCCCCCC(=O)OCC[N+](C)(C)C	0.151	0.331	0.039	0.738	0.063	0.052	0.929	0.093	0.121	0.03	0.205
Compound_35	CCCCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.78	0.512	0.052	0.603	0.667	0.767	0.373	0.314	0.292	0.142	0.294
Compound_36	CCCCCCCCCCCCCC(=O)NC(C(=O)OC)CCCNC([N+])N	0.09	0.114	0.006	0.355	0.062	0.032	0.199	0.012	0.331	0.114	0.098
Compound_37	CCCCCCCCCCCCCC(=O)NCCC[N+](CCCCCCCCCC)(C)C	0.254	0.31	0.005	0.33	0.005	0.174	0.521	0.029	0.416	0.064	0.18
Compound_38	CCCCCCCCCCCCCC(=O)NCCC[N+](CCCCCCCCCCCC)(C)C	0.254	0.31	0.005	0.33	0.005	0.174	0.521	0.029	0.416	0.064	0.18
Compound_39	CCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.239	0.378	0.014	0.331	-0.0	0.428	0.571	0.109	0.424	0.018	0.101
Compound_40	CCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.77	0.646	0.43	0.718	0.29	0.459	0.166	0.989	0.085	0.921	0.675
Compound_41	CCCCCCCCCCCCCC1OCC(O1)C[N+](C)(C)C	0.16	0.514	0.022	0.579	0.079	0.218	0.657	0.614	0.254	0.519	0.223
Compound_42	CCCCCCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.034	0.37	0.016	0.357	-0.0	0.309	0.254	0.108	0.385	0.013	0.127
Compound_43	CCCCCCCCCCCCCCC(Cn1cc[n+](c1)CCO)O	0.78	0.512	0.052	0.603	0.667	0.767	0.373	0.314	0.292	0.142	0.294
Compound_44	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(CO)O)(C)C	0.081	0.231	0.0	0.315	0.019	0.175	0.006	0.006	0.367	0.001	0.129
Compound_45	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CCO)(C)C	0.099	0.238	0.001	0.316	0.013	0.246	0.029	0.018	0.378	0.002	0.146
Compound_46	CCCCCCCCCCCCCCCC(=O)NCCC[N+](Cc1ccccc1)(C)C	0.239	0.378	0.014	0.331	-0.0	0.428	0.571	0.109	0.424	0.018	0.101
Compound_47	CCCCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.77	0.646	0.43	0.718	0.29	0.459	0.166	0.989	0.085	0.921	0.675
Compound_48	CCCCCCCCCCCCCCCCC(=O)NCC[N+](Cc1ccccc1)(C)C	0.034	0.37	0.016	0.357	-0.0	0.309	0.254	0.108	0.385	0.013	0.127
Compound_49	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(CO)O)(C)C	0.081	0.231	0.0	0.315	0.019	0.175	0.006	0.006	0.367	0.001	0.129
Compound_50	CCCCCCCCCCCCCCCCCC(=O)Oc1cccc2c1[n+](CCCCCCCCCC)ccc2	0.77	0.646	0.43	0.718	0.29	0.459	0.166	0.989	0.085	0.921	0.675
Compound_51	CCCCCCCCCCCCCCCCCCN=Cc1ccc(cc1)[N+](CC)(CC)C	0.711	0.596	0.114	0.56	0.281	0.901	0.932	0.605	0.733	0.059	0.245
Compound_52	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1c(N=Cc2ccc(cc2)OC)sc2c1cccc2	0.712	0.689	0.9	0.771	0.7	0.681	0.324	0.529	0.535	0.794	0.458
Compound_53	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1c(N=Cc2ccccc2)sc2c1cccc2	0.678	0.636	0.855	0.752	0.653	0.53	0.863	0.89	0.589	0.731	0.332
Compound_54	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc2c1c(O)c(cc2)CN1CCCCC1	0.737	0.638	0.239	0.371	0.38	0.693	0.685	0.613	0.598	0.482	0.781
Compound_55	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc2c1c(O)c(cc2)CN1CCOCC1	0.734	0.633	0.249	0.373	0.38	0.693	0.73	0.703	0.493	0.931	0.85
Compound_56	CCCCCCCCCCCCCCCCCCOC(=O)C[n+]1oc(cc1N=Cc1ccccc1)C	0.452	0.516	0.707	0.712	0.365	0.278	0.394	0.736	0.569	0.146	0.679
Compound_57	CCCCCCCCCCCCCCCCCCOC(=O)[N+](CC)(CC)CC	0.457	0.313	0.229	0.635	0.047	0.555	0.982	0.369	0.33	0.792	0.354
Compound_58	CCCCCCCCCCCCCCCCCC[N+](CCN(CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)CCC(=O)NCCN(CCC(=O)OC)CCC(=O)OC)(C)C	0.137	0.198	0.001	0.253	0.064	0.302	0.047	0.027	0.387	0.005	0.265
Compound_59	CCCCCCCCCCCCCCCCCC[N+](CCN(CCC(=O)OC)CCC(=O)OC)(C)C	0.358	0.286	0.004	0.264	0.053	0.292	0.258	0.084	0.412	0.02	0.353
Compound_60	CCCCCCCCCCCCCCCCCC[N+](Cc1cccc(c1)OC)(C)C	0.11	0.341	0.11	0.763	0.021	0.69	0.186	0.409	0.566	0.025	0.152
Compound_61	CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1CO)(C)C	0.236	0.471	0.028	0.601	0.009	0.471	0.017	0.292	0.718	0.026	0.137
Compound_62	CCCCCCCCCCCCCCCCCC[N+]1CCCCC1	0.321	0.274	0.054	0.105	0.018	0.292	0.226	0.775	0.574	0.551	0.047
Compound_63	CCCCCCCCCCCCCCCCCC[n+]1ccn(c1)CCOC(=O)NCCCC	0.134	0.422	0.279	0.43	0.082	0.607	0.236	0.642	0.416	0.167	0.539
Compound_64	CCCCCCCCCCCCCCCCCCc1cc[nH+]cc1	0.53	0.301	0.343	0.542	0.126	0.729	0.065	0.973	0.969	0.939	0.328
Compound_65	CCCCCCCCCCCCCCCCN=Cc1ccc(cc1)[N+](CC)(CC)C	0.711	0.596	0.114	0.56	0.281	0.901	0.932	0.605	0.733	0.059	0.245
Compound_66	CCCCCCCCCCCCCCCCNC(=O)C[N+](CCNC(=O)COc1ccccc1)(C)C	0.068	0.486	0.036	0.413	0.023	0.167	0.044	0.064	0.401	0.001	0.139
Compound_67	CCCCCCCCCCCCCCCCOC(=O)C[N+](CCCN=Cc1ccccc1O)(C)C	0.454	0.506	0.035	0.733	0.311	0.153	0.152	0.256	0.372	0.003	0.147
Compound_68	CCCCCCCCCCCCCCCCOC(=O)C[N+](CCOCCO)(C)C	0.132	0.18	0.005	0.728	0.253	0.148	0.625	0.224	0.339	0.004	0.147
Compound_69	CCCCCCCCCCCCCCCCOC(=O)C[N+]1(C)CCCC1	0.233	0.553	0.021	0.778	0.164	0.106	0.972	0.391	0.453	0.028	0.261
Compound_70	CCCCCCCCCCCCCCCCOC(=O)C[n+]1c(N=Cc2ccc(cc2)OC)sc2c1cccc2	0.712	0.689	0.9	0.771	0.7	0.681	0.324	0.529	0.535	0.794	0.458
Compound_71	CCCCCCCCCCCCCCCCOC(=O)C[n+]1c(N=Cc2ccccc2)sc2c1cccc2	0.678	0.636	0.855	0.752	0.653	0.53	0.863	0.89	0.589	0.731	0.332
Compound_72	CCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc(c1)N=Cc1ccc(c(c1)OC)O	0.654	0.691	0.517	0.774	0.4	0.353	0.02	0.626	0.677	0.239	0.631
Compound_73	CCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc2c1c(O)c(cc2)CN1CCCCC1	0.737	0.638	0.239	0.371	0.38	0.693	0.685	0.613	0.598	0.482	0.781
Compound_74	CCCCCCCCCCCCCCCCOC(=O)C[n+]1cccc2c1c(O)c(cc2)CN1CCOCC1	0.734	0.633	0.249	0.373	0.38	0.693	0.73	0.703	0.493	0.931	0.85
Compound_75	CCCCCCCCCCCCCCCCOC(=O)C[n+]1oc(cc1N=Cc1ccccc1)C	0.452	0.516	0.707	0.712	0.365	0.278	0.394	0.736	0.569	0.146	0.679
Compound_76	CCCCCCCCCCCCCCCCOC(=O)[N+](CC)(CC)CC	0.457	0.313	0.229	0.635	0.047	0.555	0.982	0.369	0.33	0.792	0.354
Compound_77	CCCCCCCCCCCCCCCCOCC[N+](C)(C)C	0.334	0.45	0.02	0.63	0.059	0.221	0.959	0.378	0.318	0.041	0.217
Compound_78	CCCCCCCCCCCCCCCCOCCOCC[N+]1CCCCC1	0.126	0.296	0.042	0.129	0.031	0.131	0.193	0.393	0.425	0.337	0.055
Compound_79	CCCCCCCCCCCCCCCCOCC[N+]1CCCCC1	0.071	0.247	0.042	0.129	0.015	0.084	0.238	0.482	0.415	0.848	0.061
Compound_80	CCCCCCCCCCCCCCCCOc1ccc(cc1)C[n+]1ccn(c1)C	0.381	0.615	0.196	0.687	0.021	0.802	0.019	0.856	0.433	0.838	0.524
Compound_81	CCCCCCCCCCCCCCCC[N+](C)(C)C	0.94	0.689	0.042	0.664	0.056	0.823	0.992	0.767	0.623	0.082	0.238
Compound_82	CCCCCCCCCCCCCCCC[N+](CC(=O)Nc1ccccc1)(C)C	0.331	0.412	0.362	0.607	0.101	0.238	0.087	0.37	0.501	0.02	0.174
Compound_83	CCCCCCCCCCCCCCCC[N+](CCC/N=C/c1ccc(c(c1)OC)OC)(C)C	0.434	0.506	0.068	0.625	0.038	0.665	0.043	0.11	0.594	0.035	0.185
Compound_84	CCCCCCCCCCCCCCCC[N+](CCCN=Cc1ccccc1)(C)C	0.659	0.649	0.043	0.603	0.018	0.689	0.793	0.173	0.684	0.025	0.116
Compound_85	CCCCCCCCCCCCCCCC[N+](CCCNC(=O)CCCCCCCCCCCCC)(C)C	0.254	0.31	0.005	0.33	0.011	0.204	0.521	0.029	0.416	0.064	0.18
Compound_86	CCCCCCCCCCCCCCCC[N+](CCN=Cc1ccc(c(c1)OC)OC)(C)C	0.348	0.488	0.118	0.664	0.037	0.546	0.023	0.048	0.587	0.028	0.199
Compound_87	CCCCCCCCCCCCCCCC[N+](CCOC)(C)C	0.688	0.45	0.039	0.65	0.048	0.542	0.957	0.215	0.824	0.041	0.217
Compound_88	CCCCCCCCCCCCCCCC[N+](Cc1cccc(c1)OC)(C)C	0.11	0.341	0.11	0.763	0.021	0.69	0.186	0.409	0.566	0.025	0.152
Compound_89	CCCCCCCCCCCCCCCC[N+](Cc1ccccc1CO)(C)C	0.236	0.471	0.028	0.601	0.009	0.471	0.017	0.292	0.718	0.026	0.137
Compound_90	CCCCCCCCCCCCCCCC[N+](NC(=O)CCC(=O)N1CCCCC1)(C)C	0.396	0.408	0.008	0.359	0.052	0.327	0.486	0.029	0.465	0.275	0.214
Compound_91	CCCCCCCCCCCCCCCC[N+](NC(=O)CCC(=O)N1CCOCC1)(C)C	0.202	0.418	0.006	0.422	0.074	0.327	0.535	0.065	0.417	0.124	0.284
Compound_92	CCCCCCCCCCCCCCCC[N+](c1ccc(cc1)C=Nc1c(C)n(n(c1=O)c1ccccc1)C)(C)C	0.407	0.63	0.002	0.399	0.53	0.855	0.825	0.202	0.65	0.321	0.265
Compound_93	CCCCCCCCCCCCCCCC[N+](CCO)(CC)CC	0.576	0.383	0.09	0.582	0.046	0.684	0.691	0.266	0.345	0.238	0.164
Compound_94	CCCCCCCCCCCCCCCC[N+](CCC)(CCC)CCC	0.923	0.832	0.314	0.665	0.052	0.843	0.992	0.834	0.962	0.635	0.262
Compound_95	CCCCCCCCCCCCCCCC[N+]1CCCCC1	0.321	0.274	0.054	0.105	0.018	0.292	0.226	0.775	0.574	0.551	0.047
Compound_96	CCCCCCCCCCCCCCCC[n+]1ccn(c1)CCOC(=O)NCCCC	0.134	0.422	0.279	0.43	0.082	0.607	0.236	0.642	0.416	0.167	0.539
Compound_97	CCCCCCCCCCCCCCCCc1cc[nH+]cc1	0.53	0.301	0.343	0.542	0.126	0.729	0.065	0.973	0.969	0.939	0.328
Compound_98	CCCCCCCCCCCCCCC[n+]1ccccc1	0.952	0.599	0.433	0.69	0.07	0.898	0.937	0.997	1.0	0.617	0.195
Compound_99	CCCCCCCCCCCCCCCc1cc[nH+]cc1	0.53	0.301	0.343	0.542	0.126	0.729	0.065	0.973	0.969	0.939	0.328
Compound_100	CCCCCCCCCCCCCCN=Cc1ccc(cc1)[N+](CC)(CC)C	0.711	0.596	0.114	0.56	0.281	0.901	0.932	0.605	0.733	0.059	0.245