Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	Fc1ccc(cc1)N1CCN(CC1)CCCC(=O)NC1c2ccccc2SCc2c1cccc2	0.394	0.537	0.265	0.179	0.891	0.507	0.091	0.093	0.448	0.271	0.135
Compound_2	OCCN1CCNCC1	0.008	0.087	0.012	0.133	0.004	0.001	-0.0	0.542	0.057	0.056	0.065
Compound_3	Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O	0.29	0.46	0.121	0.239	0.659	0.898	0.418	0.123	0.632	0.023	0.17
Compound_4	O=C(N1CCC(CC1)C=C(c1ccccc1)c1ccccc1)CCCCCCCCc1cccnc1	0.281	0.535	0.158	0.642	0.086	0.898	0.671	0.053	0.273	0.91	0.226
Compound_5	O=C1NCN(C21CCN(CC2)CC1COc2c(O1)cccc2)c1ccccc1	0.053	0.755	0.002	0.12	0.658	0.454	0.007	0.07	0.343	0.013	0.127
Compound_6	Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Br	0.053	0.45	0.25	0.124	0.203	0.637	0.003	0.02	0.306	0.032	0.169
Compound_7	O=NN1CCCCC1	0.127	0.257	0.167	0.455	0.011	0.266	0.004	0.921	0.765	0.375	0.274
Compound_8	O=C1C(=C(C1=O)NC/C=C\COc1nccc(c1)CN1CCCCC1)N	0.348	0.353	0.039	0.313	0.08	0.364	0.001	0.342	0.375	0.005	0.46
Compound_9	C1CCN(CC1)Cc1cccc(c1)OCCCNc1nc2c(s1)cccc2	0.254	0.395	0.987	0.328	0.36	0.898	0.234	0.108	0.419	0.53	0.087
Compound_10	OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO	0.31	0.493	0.004	0.349	0.905	0.647	0.09	0.161	0.435	0.972	0.918
Compound_11	S=C(N1CCCCC1)SSSSSSC(=S)N1CCCCC1	0.181	0.285	0.116	0.538	0.19	0.92	0.048	0.853	0.95	0.993	0.475
Compound_12	O=C1CCCCCCCCCCCCCCO1	0.871	0.144	0.256	0.706	0.099	0.065	0.989	0.81	0.189	0.978	0.752
Compound_13	O=C1CCCCCCCCCCCC(=O)OCCO1	0.95	0.118	0.3	0.703	0.139	0.098	0.968	0.751	0.219	0.988	0.857
Compound_14	O=C1CCCCCCCCCCC=CCCC1	0.993	0.196	0.342	0.592	0.339	0.072	0.999	0.599	0.536	1.0	0.898
Compound_15	O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1	0.053	0.212	0.087	0.077	0.179	0.491	0.003	0.861	0.273	0.101	0.087
Compound_16	OS(=O)(=O)NC1CCCCC1	0.141	0.176	0.105	0.241	0.087	0.34	0.002	0.481	0.241	0.047	0.402
Compound_17	C1CCC(CC1)NC1CCCCC1	0.101	0.175	0.054	0.32	0.064	0.282	0.002	0.04	0.427	0.903	0.049
Compound_18	S=C(NC1CCCCC1)NC1CCCCC1	0.079	0.192	0.148	0.476	0.06	0.898	0.002	0.561	0.665	0.994	0.154
Compound_19	O[C@@H]1C[C@H]2[C@@H]([C@H]1/C=C/[C@H](C1CCCCC1)O)C/C(=C/c1cccc(c1)C(=O)[O-])/O2	0.906	0.57	0.05	0.495	0.899	0.794	0.988	0.477	0.682	0.977	0.414
Compound_20	O=C1CCCCCN1	0.052	0.201	0.044	0.251	0.033	0.064	0.002	0.111	0.445	0.067	0.123
Compound_21	ON=C1CCCCC1	0.831	0.402	0.72	0.484	0.102	0.336	0.851	0.668	0.483	0.871	0.798
Compound_22	C1OC1C1CCC2C(C1)O2	0.962	0.283	0.073	0.521	0.914	0.148	0.985	0.708	0.835	0.944	0.867
Compound_23	Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1	0.061	0.502	0.31	0.311	0.202	0.593	0.008	0.252	0.476	0.048	0.269
Compound_24	O=C1CCCc2c1cc1ccc3c4c1c2ccc4ccc3	0.912	0.808	0.873	0.587	0.905	0.952	0.99	0.886	0.518	0.981	0.975
Compound_25	O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[C@@H]2CC[C@H](C1)[N+]12CCCC1	0.079	0.597	0.292	0.451	0.166	0.215	0.013	0.011	0.288	0.011	0.207
Compound_26	OCC1CCC(CC1)CO	0.861	0.145	0.065	0.498	0.14	0.129	0.908	0.082	0.337	0.116	0.239
Compound_27	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_28	O=CC1CCC=CC1	0.896	0.175	0.353	0.624	0.117	0.256	0.987	0.901	0.809	1.0	0.686
Compound_29	O=c1oc2ccccc2c(c1C1CCCc2c1cccc2)O	0.546	0.698	0.769	0.501	0.909	0.947	0.996	0.432	0.296	0.24	0.559
Compound_30	ClC1=C(Cl)C2(C(C1(Cl)C1C2COS(=O)(=O)OC1)(Cl)Cl)Cl	0.924	0.831	0.521	0.643	0.827	0.432	0.978	0.984	0.145	0.999	0.421
Compound_31	NCC[C@@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)CC[C@H]1N)O	0.095	0.774	0.001	0.328	0.157	0.387	0.001	0.004	0.129	0.094	0.058
Compound_32	N#C/C(=C\1/SCC(S1)c1ccccc1Cl)/n1cncc1	0.928	0.866	0.805	0.826	0.768	0.719	0.163	0.214	0.602	0.369	0.087
Compound_33	O1CC1COc1ccc(cc1)C(C(c1ccc(cc1)OCC1OC1)c1ccc(cc1)OCC1OC1)c1ccc(cc1)OCC1OC1	0.181	0.607	0.69	0.711	0.989	0.898	0.991	0.975	0.435	0.991	0.985
Compound_34	O1CC1COc1cccc(c1)OCC1OC1	0.199	0.361	0.696	0.651	0.929	0.39	0.948	0.94	0.66	0.993	0.918
Compound_35	O=c1n(CC2OC2)c(=O)n(c(=O)n1CC1OC1)CC1OC1	0.524	0.441	0.154	0.531	0.905	0.253	0.024	0.84	0.882	0.968	0.918
Compound_36	ClCC1CO1	0.916	0.14	0.441	0.642	0.198	0.106	0.997	0.996	0.918	0.999	0.991
Compound_37	ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl	0.823	0.812	0.503	0.668	0.55	0.898	0.984	0.967	0.95	0.992	0.487
Compound_38	Nc1ncnc2c1ncn2CCOCP(=O)(O)O	0.38	0.598	0.35	0.347	0.329	0.381	0.002	0.079	0.706	0.457	0.306
Compound_39	c1csc(c1)SSc1cccs1	0.882	0.717	0.476	0.46	0.677	0.673	0.999	0.173	0.978	0.999	0.815
Compound_40	c1csc(c1)c1ccc(s1)c1cccs1	0.953	0.795	0.864	0.52	0.672	0.713	0.998	0.375	0.892	0.986	0.918
Compound_41	Fc1ccc(c(c1)Br)C(=O)NS(=O)(=O)/C=C/c1cccs1	0.763	0.592	0.745	0.526	0.416	0.898	0.983	0.829	0.95	0.961	0.918
Compound_42	N#Cc1ccncc1	0.693	0.255	0.474	0.591	0.082	0.083	0.013	0.032	0.924	0.924	0.795
Compound_43	Oc1ccc2c3c1ccc1c3c(cc2)ccc1	0.953	0.831	0.938	0.695	0.979	0.985	0.804	0.955	0.837	0.991	0.949
Compound_44	c1ccc2c(n1)c1ncccc1cc2	0.782	0.724	0.863	0.513	0.148	0.898	0.953	0.515	0.967	0.956	0.989