Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	CO[C@H]1C[C@H](O[C@H]([C@@H]1OC)C)O[C@H]1C[C@@H](O[C@H]1[C@]1(C)CC[C@@H](O1)[C@]1(C)CC[C@@]2(O1)C[C@H](O)[C@H]([C@H](O2)[C@H]([C@@H]1O[C@](O)(CC(=O)O)[C@H]([C@@H]([C@H]1OC)OC)C)C)C)[C@H]1O[C@](C)(O)[C@@H](C[C@@H]1C)C	0.768	0.881	0.0	0.274	0.901	0.687	0.933	0.612	0.051	0.69	0.694
Compound_2	C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)/[C@@H]([C@H](/C=C\C=C(\C(=O)NC(=CC1=O)C2=O)/C)OC)OC(=O)N	0.653	0.839	0.004	0.455	0.375	0.898	0.005	0.764	0.32	0.058	0.566
Compound_3	O[C@H]1[C@H](O[C@H]2CC[C@]3(C(=C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3c2ccc(=O)oc2)C)C)O[C@H]([C@@H]([C@H]1O)O)C	0.854	1.0	0.003	0.572	0.978	0.966	0.88	0.223	0.95	0.49	0.506
Compound_4	OC[C@@]12[C@H](O)C[C@@H](C[C@@]2(O)CC[C@@H]2[C@@H]1[C@H](O)C[C@]1([C@]2(O)CC[C@@H]1C1=CC(=O)OC1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O	0.952	0.98	0.008	0.687	0.981	0.918	0.92	0.328	0.951	0.554	0.087
Compound_5	CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(c3=NC4(N=c23)CCN(CC4)CC(C)C)NC(=O)/C(=C\C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C	0.823	0.645	0.528	0.389	0.747	0.867	0.994	0.93	0.413	0.665	0.187
Compound_6	C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C	0.952	0.5	0.841	0.738	0.31	0.413	0.502	0.972	0.413	0.407	0.621
Compound_7	OC(=O)[C@H](O)C	0.364	0.125	0.026	0.156	0.041	0.027	0.92	0.172	0.082	0.179	0.252
Compound_8	C[C@H]([C@H]1C(=O)N2[C@@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O	0.551	0.516	0.006	0.196	0.5	0.207	0.838	0.22	0.141	0.936	0.087
Compound_9	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.997	1.0	0.095	0.831	0.89	0.884	0.015	0.252	0.092	0.998	0.5
Compound_10	COC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@]23[C@@H]1[C@@H]1CC[C@]4([C@@]1(C)C[C@H]3O2)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_11	O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C	0.972	1.0	0.031	0.872	0.905	0.898	0.002	0.929	0.022	0.997	0.275
Compound_12	O=C1C=C[C@]2(C(=C1)C(=C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C	0.975	1.0	0.329	0.86	0.933	0.974	0.022	0.98	0.158	0.999	0.656
Compound_13	OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C	0.985	1.0	0.022	0.773	0.655	0.915	0.012	0.066	0.019	0.078	0.062
Compound_14	O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3C[C@@H]2c1ccc(=O)oc1)C)C	0.919	0.95	0.003	0.526	0.998	0.985	0.935	0.369	0.685	0.726	0.918
Compound_15	C=CC[C@]1(O)CC[C@@H]2[C@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@H]21	0.967	0.998	0.057	0.676	0.949	0.898	0.645	0.993	0.202	0.989	0.436
Compound_16	O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C	0.97	0.998	0.106	0.732	0.946	0.884	0.322	0.993	0.106	0.99	0.239
Compound_17	C=C[C@]1(C)C[C@@H](OC(=O)CSC(CNC(=O)[C@@H](C(C)C)N)(C)C)[C@]2(C)[C@H](C)CC[C@]3([C@H]([C@@H]1O)C)[C@H]2C(=O)CC3	0.166	0.694	0.002	0.34	0.706	0.75	0.022	0.985	0.412	0.277	0.317
Compound_18	C=CC[C@@H]1/C=C(\C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2	0.952	0.857	0.005	0.436	0.411	0.856	0.018	0.958	0.698	0.389	0.437
Compound_19	CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@@H]1[C@@H](C)c3cccc(c3C(=C1C2=O)O)O)O)O)C(=O)N)C	0.499	0.666	0.004	0.052	0.169	0.528	0.001	0.065	0.261	0.186	0.087
Compound_20	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.93	0.99	0.001	0.702	0.992	0.898	0.954	0.572	0.974	0.773	0.918
Compound_21	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)C[C@@H]([C@@H]3C2=CC(=O)OC2)O)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.922	0.99	0.003	0.691	0.968	0.7	0.954	0.619	0.974	0.773	0.918
Compound_22	OC[C@H]1O[C@@H](O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2OC(=O)C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2[C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3C[C@@H](O)[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)[C@@H]([C@H]([C@@H]1O)O)O	0.93	0.99	0.001	0.676	0.994	0.898	0.954	0.631	0.974	0.773	0.918
Compound_23	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.952	1.0	0.003	0.809	0.983	0.947	0.954	0.939	0.95	0.739	0.918
Compound_24	CO[C@H]1[C@@H](O)C[C@@H](O[C@@H]1C)O[C@H]1[C@@H](O)C[C@@H](O[C@@H]1C)O[C@H]1[C@@H](O)C[C@@H](O[C@@H]1C)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C	0.955	1.0	0.002	0.754	0.986	0.947	0.954	0.995	0.955	0.463	0.905
Compound_25	O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	0.952	1.0	0.003	0.826	0.986	0.947	0.954	0.956	0.95	0.714	0.867