Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.16	0.251	0.001	0.292	0.021	0.004	0.002	0.221	0.393	0.005	0.148
Compound_2	CCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.179	0.251	0.001	0.292	0.03	0.022	0.308	0.221	0.388	0.005	0.148
Compound_3	CCCCCCCC1=NCCN1CCO	0.21	0.323	0.39	0.55	0.014	0.153	0.003	0.397	0.884	0.206	0.169
Compound_4	OCCCCCCCCC(C)C	0.928	0.097	0.477	0.527	0.061	0.037	0.923	0.164	0.06	0.264	0.356
Compound_5	OCCCCCCCCCC(C)C	0.928	0.097	0.477	0.527	0.061	0.037	0.923	0.164	0.06	0.264	0.356
Compound_6	CCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_7	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)C	0.756	0.216	0.523	0.322	0.929	0.289	0.918	0.229	0.402	0.898	0.111
Compound_8	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)O)C	0.756	0.216	0.523	0.322	0.927	0.34	0.926	0.229	0.402	0.898	0.111
Compound_9	CCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.933	0.407	0.993	0.147
Compound_10	CCCCCCCCCCCC(c1ccc(cc1)S(=O)(=O)[O-])C	0.843	0.21	0.137	0.38	0.764	0.098	0.944	0.933	0.407	0.993	0.147
Compound_11	CCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.767	0.122	0.993	0.935	0.445	0.995	0.15
Compound_12	CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.767	0.122	0.993	0.935	0.445	0.995	0.15
Compound_13	CCCCCCCCC=CCCCCCCCC(=O)OC	0.967	0.006	0.522	0.637	0.35	0.052	1.0	0.987	0.351	1.0	0.914
Compound_14	CCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]	0.843	0.212	0.161	0.373	0.761	0.186	0.994	0.935	0.445	0.995	0.15
Compound_15	CCCCOC1OC(CO)C(C(C1O)O)O	0.198	0.155	0.015	0.497	0.072	0.122	0.151	0.075	0.552	0.489	0.017
Compound_16	CCCCCCC(CC=CCCCCCCCC(=O)O)O	0.962	0.052	0.057	0.093	0.403	0.075	0.97	0.696	0.057	0.943	0.105
Compound_17	CCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.065	0.098	0.997	0.921	0.058	0.993	0.353
Compound_18	CCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.084	0.285	0.0	0.285	0.018	0.263	0.008	0.522	0.401	0.131	0.441
Compound_19	CCCCCCCCCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.304	0.171	0.045	0.453	0.02	0.248	0.113	0.023	0.259	0.009	0.084
Compound_20	CCCCCCCCCCCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.304	0.171	0.045	0.453	0.02	0.248	0.113	0.023	0.259	0.009	0.084
Compound_21	CCCCCCCC=CCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.596	0.212	0.078	0.544	0.058	0.342	0.123	0.02	0.269	0.032	0.104
Compound_22	CCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.277	0.171	0.045	0.453	0.014	0.081	0.012	0.023	0.298	0.009	0.084
Compound_23	CCCCCCCCC(=O)N(CC(C(C(C(CO)O)O)O)O)C	0.304	0.171	0.045	0.453	0.02	0.248	0.113	0.023	0.259	0.009	0.084
Compound_24	CCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.179	0.251	0.001	0.292	0.03	0.022	0.308	0.221	0.388	0.005	0.148
Compound_25	CCCCCCCCCCCCC(=O)NCCC[N+](CC(=O)[O-])(C)C	0.179	0.251	0.001	0.292	0.03	0.022	0.308	0.221	0.388	0.005	0.148
Compound_26	CCCCCCCCCCCC(=O)OC(CS(=O)(=O)[O-])C	0.522	0.07	0.1	0.387	0.043	0.079	0.977	0.385	0.35	0.914	0.295
Compound_27	CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O	0.756	0.218	0.572	0.269	0.928	0.363	0.99	0.171	0.44	0.925	0.11
Compound_28	CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]	0.985	0.01	0.047	0.418	0.085	0.275	0.999	0.921	0.058	0.993	0.353
Compound_29	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(C)C	0.095	0.294	0.039	0.732	0.106	0.08	0.911	0.05	0.23	0.03	0.279
Compound_30	CCCCCCC(OS(=O)(=O)[O-])CC=CCCCCCCCC(=O)O	0.968	0.092	0.057	0.101	0.328	0.121	0.955	0.22	0.085	0.986	0.331
Compound_31	CCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.763	0.19	0.017	0.109	0.062	0.331	0.93	0.296	0.403	0.823	0.816
Compound_32	CCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCC)(C)C	0.095	0.294	0.039	0.732	0.106	0.08	0.911	0.05	0.23	0.03	0.279
Compound_33	CCCCCCCCCCCCCCN(CCC(=O)[O-])CCC(=O)[O-]	0.763	0.19	0.017	0.109	0.062	0.331	0.93	0.296	0.403	0.823	0.816
Compound_34	CCCCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.084	0.285	0.0	0.285	0.018	0.263	0.008	0.522	0.401	0.131	0.441
Compound_35	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.095	0.294	0.039	0.732	0.106	0.08	0.911	0.05	0.23	0.03	0.279
Compound_36	CCCCCCCCCCCCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.353	0.39	0.004	0.472	0.051	0.537	0.254	0.297	0.394	0.42	0.454
Compound_37	CCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_38	CCCCCCCC=CCCCCCCCCC(=O)O	0.936	0.019	0.142	0.094	0.467	0.049	0.996	0.101	0.075	0.98	0.253
Compound_39	CCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_40	CCCCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.089	0.01	0.998	0.777	0.146	0.998	0.915
Compound_41	CCCCCCCC/C=C\CCCCCCCC(=O)[O-]	0.984	0.022	0.073	0.346	0.375	0.028	0.999	0.811	0.233	1.0	0.94
Compound_42	CCCCCCCCCCCCOC1OC(O)C(C(C(C1COC(=O)C(CC(=O)O)(CC(=O)[O-])O)O)O)O	0.398	0.381	0.003	0.404	0.555	0.349	0.851	0.867	0.598	0.765	0.721
Compound_43	CCCCCCCCCCCCCCOC1OC(O)C(C(C(C1COC(=O)C(CC(=O)O)(CC(=O)[O-])O)O)O)O	0.398	0.381	0.003	0.404	0.555	0.349	0.851	0.867	0.598	0.765	0.721
Compound_44	CCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)[O-]	0.189	0.033	0.02	0.269	0.062	0.023	0.034	0.275	0.343	0.875	0.118
Compound_45	CCCCCCCC(=O)[O-]	0.946	0.017	0.103	0.367	0.049	0.006	0.999	0.777	0.24	0.998	0.915
Compound_46	CCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_47	CCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_48	CCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.062	0.006	0.992	0.777	0.146	0.998	0.915
Compound_49	CCCCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.089	0.01	0.998	0.777	0.146	0.998	0.915
Compound_50	CCCCCCCC=CCCCCCCCC(=O)[O-]	0.984	0.022	0.073	0.346	0.392	0.01	0.998	0.811	0.18	1.0	0.94
Compound_51	CCCCCCCCCCCCCCCCCC(=O)OCC[N+](CCOC(=O)CCCCCCCCCCCCCCCCC)(C)C	0.095	0.294	0.039	0.732	0.106	0.08	0.911	0.05	0.23	0.03	0.279
Compound_52	CCCCCCCCCCCCCCCCCC(=O)[O-]	0.952	0.017	0.103	0.367	0.081	0.024	0.999	0.777	0.146	0.998	0.915
Compound_53	CCCCCC=CCCCC=CCCCCCC(=O)[O-]	0.945	0.022	0.073	0.346	0.327	0.006	0.997	0.811	0.137	1.0	0.94
Compound_54	CCCCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)[O-]	0.189	0.033	0.02	0.269	0.062	0.023	0.034	0.275	0.343	0.875	0.118
Compound_55	CCCCCCCCCCCCCCCC(=O)NCCC[N+](CC(CS(=O)(=O)[O-])O)(C)C	0.084	0.285	0.0	0.285	0.018	0.263	0.008	0.522	0.401	0.131	0.441
Compound_56	CCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)O	0.072	0.043	0.022	0.139	0.077	0.026	0.026	0.073	0.341	0.211	0.094
Compound_57	CCCCCCCCCCCCC(=O)NC(C(=O)[O-])CCC(=O)O	0.072	0.043	0.022	0.139	0.077	0.061	0.11	0.073	0.341	0.211	0.094
Compound_58	CCCCCCCCC=CCCCCCCCC(=O)[O-]	0.984	0.022	0.073	0.346	0.375	0.028	0.999	0.811	0.233	1.0	0.94
Compound_59	CCC=CCC=CCC=CCCCCCCCC(=O)[O-]	0.966	0.025	0.045	0.31	0.392	0.01	0.998	0.725	0.082	1.0	0.947