Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	COCCl	0.917	0.096	0.626	0.604	0.284	0.07	0.991	0.993	0.907	0.989	0.875
Compound_2	CC(CC(O)(C)C)O	0.694	0.015	0.054	0.504	0.024	0.015	0.507	0.096	0.203	0.435	0.488
Compound_3	C[Si](O[Si](C)(C)C)(C)C	0.805	0.085	0.057	0.515	0.182	0.464	0.929	0.687	0.903	0.997	0.514
Compound_4	C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C	0.729	0.061	0.036	0.519	0.328	0.464	0.962	0.702	0.903	0.993	0.56
Compound_5	Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O	0.83	0.731	0.681	0.855	0.057	0.857	0.741	0.456	0.474	0.07	0.382
Compound_6	CC(CC(C#C)(O)C)C	0.755	0.12	0.506	0.491	0.07	0.228	0.817	0.196	0.423	0.576	0.505
Compound_7	O=C(c1c(Cl)ccc(c1Cl)C(F)(F)F)N[C@@H]([C@@H]1CN2CCC1CC2)c1ccccc1	0.952	0.555	0.028	0.337	0.402	0.739	0.5	0.8	0.461	0.638	0.426
Compound_8	OC(=O)C1CCC(CC1)C(=O)O	0.486	0.057	0.067	0.176	0.101	0.022	0.399	0.392	0.166	0.104	0.078
Compound_9	O=CCC(CCCC(O)(C)C)C	0.795	0.076	0.044	0.441	0.112	0.212	0.919	0.464	0.178	0.737	0.378
Compound_10	CCCC(=O)C	0.884	0.043	0.236	0.538	0.019	0.006	0.974	0.262	0.603	0.979	0.868
Compound_11	OCCC(O)C	0.631	0.118	0.046	0.456	0.029	0.014	0.551	0.057	0.04	0.016	0.138
Compound_12	CCCC(=O)O	0.364	0.026	0.173	0.106	0.051	0.002	0.967	0.076	0.214	0.041	0.079
Compound_13	COCC(O)C	0.545	0.055	0.061	0.48	0.062	0.062	0.877	0.272	0.24	0.188	0.511
Compound_14	OCCN(C)C	0.077	0.018	0.015	0.124	0.01	0.009	0.008	0.702	0.054	0.005	0.094
Compound_15	CC(CC(O)C)C	0.698	0.075	0.301	0.48	0.02	0.01	0.909	0.112	0.157	0.555	0.405
Compound_16	CC(OC(=O)C)C	0.785	0.069	0.282	0.515	0.064	0.019	0.992	0.684	0.96	0.942	0.78
Compound_17	CC1COC(=O)O1	0.667	0.136	0.392	0.575	0.06	0.04	0.997	0.457	0.523	0.622	0.333
Compound_18	Cc1cccc(c1)C	0.812	0.144	0.909	0.567	0.031	0.047	0.979	0.828	0.873	0.994	0.14
Compound_19	Cc1cccc(c1)O	0.824	0.12	0.884	0.659	0.178	0.017	0.473	0.918	0.524	0.682	0.087
Compound_20	CCC(C(CCOC(=O)C)C)CC	0.84	0.012	0.093	0.613	0.085	0.023	0.971	0.121	0.745	0.997	0.905
Compound_21	Cc1cccc(c1)N	0.793	0.196	0.954	0.556	0.031	0.066	0.98	0.938	0.851	0.976	0.305
Compound_22	Nc1cccc(c1)N	0.88	0.273	0.968	0.652	0.073	0.212	0.946	0.974	0.92	0.947	0.628
Compound_23	Oc1cccc(c1)O	0.948	0.214	0.863	0.611	0.373	0.059	0.938	0.184	0.558	0.123	0.236
Compound_24	CCCCCCCOC(=O)c1ccc(cc1)O	0.857	0.27	0.893	0.711	0.905	0.935	0.413	0.333	0.958	0.598	0.603
Compound_25	COC(=O)CC(=O)OC	0.818	0.009	0.274	0.54	0.059	0.026	0.859	0.993	0.622	0.049	0.763
Compound_26	Cc1cc(C)cc(c1)O	0.745	0.106	0.936	0.606	0.174	0.055	0.433	0.878	0.809	0.456	0.105
Compound_27	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_28	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_29	NC1CCCCC1	0.113	0.099	0.102	0.377	0.016	0.124	0.002	0.01	0.778	0.657	0.02
Compound_30	OC1CCCCC1	0.767	0.087	0.061	0.505	0.037	0.066	0.877	0.363	0.362	0.816	0.055
Compound_31	O=C1CCCCC1	0.913	0.136	0.32	0.482	0.028	0.032	0.925	0.683	0.436	0.999	0.568
Compound_32	Oc1ccccc1	0.919	0.132	0.863	0.611	0.18	0.041	0.963	0.173	0.915	0.632	0.276
Compound_33	Sc1ccccc1	0.931	0.298	0.863	0.611	0.117	0.231	0.998	0.173	0.972	0.999	0.44
Compound_34	CCCCOC(=O)CCCCCCCCC(=O)OCCCC	0.903	0.005	0.251	0.736	0.096	0.106	0.998	0.649	0.517	0.998	0.905
Compound_35	CCCCNC(=S)NCCCC	0.047	0.089	0.054	0.36	0.023	0.102	0.0	0.366	0.821	0.993	0.283
Compound_36	CCCCC(=O)O	0.344	0.022	0.173	0.119	0.042	0.002	0.945	0.073	0.315	0.043	0.068
Compound_37	NCCCN(C)C	0.049	0.179	0.0	0.138	0.006	0.007	0.001	0.22	0.215	0.071	0.109
Compound_38	CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C	0.29	0.561	0.102	0.177	0.056	0.389	0.015	0.122	0.069	0.03	0.516
Compound_39	N#CCC#N	0.905	0.338	0.205	0.507	0.158	0.067	0.925	0.946	0.753	0.975	0.87
Compound_40	COCCO	0.601	0.148	0.127	0.474	0.068	0.111	0.718	0.721	0.21	0.168	0.647
Compound_41	CC(OOC(C)(C)C)(C)C	0.856	0.064	0.174	0.506	0.096	0.047	0.926	0.658	0.819	0.98	0.869
Compound_42	CC(CCC(=O)C)C	0.914	0.034	0.726	0.462	0.013	0.005	0.938	0.063	0.381	0.9	0.738
Compound_43	OC(=O)CCC(=O)O	0.35	0.024	0.047	0.193	0.067	0.02	0.302	0.199	0.557	0.002	0.105
Compound_44	OC(=O)/C=C\C(=O)O	0.766	0.07	0.047	0.233	0.55	0.059	0.928	0.377	0.873	0.317	0.843
Compound_45	OC(=O)/C=C/C(=O)O	0.766	0.07	0.047	0.233	0.55	0.059	0.928	0.377	0.873	0.317	0.843
Compound_46	CCCCCCCC/C=C\CCCCCCCC(=O)N(CC(=O)O)C	0.648	0.098	0.031	0.144	0.235	0.261	0.969	0.082	0.291	0.376	0.208
Compound_47	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
Compound_48	CCCCCCCCCCCCCC(=O)OC(C)C	0.902	0.021	0.232	0.583	0.093	0.071	0.999	0.133	0.586	0.999	0.833
Compound_49	CCCCCCCCCC(=O)OC	0.912	0.0	0.291	0.616	0.056	0.011	0.995	0.93	0.288	0.994	0.862
Compound_50	CCCCCC(=O)C	0.943	0.024	0.255	0.548	0.016	0.01	0.986	0.639	0.56	0.996	0.908
Compound_51	C/C=C/C=C/C(=O)O	0.704	0.044	0.176	0.324	0.557	0.039	0.991	0.654	0.871	0.832	0.627
Compound_52	COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl	0.355	0.861	0.95	0.733	0.614	0.881	0.045	0.755	0.409	0.485	0.25
Compound_53	CCCCC=O	0.826	0.081	0.268	0.536	0.026	0.176	0.997	0.966	0.818	0.982	0.837
Compound_54	OCCCCO	0.602	0.151	0.105	0.494	0.044	0.062	0.939	0.179	0.085	0.232	0.604
Compound_55	OCC#CCO	0.824	0.23	0.275	0.473	0.05	0.483	0.942	0.715	0.482	0.352	0.727
Compound_56	CCCC=NO	0.674	0.135	0.445	0.54	0.045	0.056	0.075	0.681	0.453	0.904	0.754
Compound_57	OCCNCC	0.01	0.098	0.007	0.246	0.007	0.001	0.0	0.056	0.041	0.299	0.131
Compound_58	OCCOCC	0.668	0.218	0.285	0.478	0.059	0.098	0.809	0.187	0.171	0.751	0.652
Compound_59	N1CCNCC1	0.041	0.057	0.038	0.368	0.006	0.001	0.0	0.022	0.119	0.011	0.087
Compound_60	C1COC=CC1	0.721	0.121	0.178	0.569	0.192	0.098	0.999	0.757	0.818	0.943	0.656