Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	O=C(Nc1cnns1)Nc1ccccc1	0.628	0.465	0.965	0.676	0.267	0.898	0.02	0.589	0.794	0.311	0.346
Compound_2	O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C	0.878	0.978	0.018	0.72	0.898	0.831	0.006	0.919	0.058	0.97	0.349
Compound_3	Cc1c(C)cccc1O	0.807	0.093	0.766	0.69	0.239	0.019	0.673	0.971	0.76	0.948	0.343
Compound_4	O=C(C(O)(C)C)Nc1ccc(c(c1)C(F)(F)F)N(=O)=O	0.952	0.628	0.189	0.612	0.091	0.898	0.482	0.962	0.419	0.048	0.468
Compound_5	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C	0.952	0.907	0.068	0.373	0.984	0.996	0.006	0.065	0.045	0.998	0.934
Compound_6	ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl	0.784	0.384	0.581	0.448	0.96	0.94	0.953	0.965	0.416	1.0	0.879
Compound_7	C=CC(CCCC(O)(C)C)C	0.895	0.125	0.064	0.589	0.342	0.016	0.78	0.946	0.315	0.436	0.514
Compound_8	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_9	OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(N)nc(n2)N	0.474	0.496	0.047	0.139	0.577	0.114	0.054	0.405	0.391	0.888	0.818
Compound_10	OC(=O)COc1nc(Cl)c(cc1Cl)Cl	0.367	0.137	0.541	0.482	0.093	0.072	0.976	0.133	0.32	0.178	0.217
Compound_11	c1ccc2c(c1)cc1c(c2)ccc2c1cccc2	0.988	0.649	0.974	0.697	0.843	0.737	0.998	0.968	0.931	1.0	0.952
Compound_12	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O	0.981	0.993	0.013	0.367	0.984	0.961	0.067	0.082	0.124	0.998	0.918
Compound_13	CCCCC(COC(=O)CC(S(=O)(=O)[O-])C(=O)OCC(CCCC)CC)CC	0.521	0.02	0.127	0.52	0.063	0.208	0.938	0.809	0.419	0.98	0.299
Compound_14	CCC(=O)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	0.036	0.832	0.947	0.908	0.037	0.835	0.142	1.0	0.304
Compound_15	Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C	0.97	0.991	0.009	0.489	0.991	0.99	0.02	0.286	0.049	0.998	0.918
Compound_16	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C	0.984	1.0	0.016	0.874	0.944	0.898	0.037	0.405	0.058	0.996	0.168
Compound_17	CCCCC(COC(=O)CCCCC(=O)OCc1ccccc1)CC	0.519	0.068	0.282	0.656	0.083	0.138	0.982	0.459	0.306	0.995	0.785
Compound_18	NC(=O)N/N=C/c1ccc(o1)N(=O)=O	0.12	0.409	0.57	0.214	0.626	0.542	0.007	0.975	0.387	0.482	0.812
Compound_19	O=N(=O)c1c(C)cccc1N(=O)=O	0.951	0.235	0.787	0.537	0.386	0.028	0.995	0.994	0.712	0.999	0.917
Compound_20	CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1C[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C	0.484	0.709	0.004	0.04	0.177	0.512	0.002	0.079	0.263	0.027	0.124
Compound_21	Cn1cc[nH]c1=S	0.067	0.22	0.047	0.295	0.009	0.327	0.021	0.005	0.872	0.933	0.718
Compound_22	Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O	0.943	0.651	0.969	0.649	0.905	0.898	0.984	0.979	0.711	0.99	0.838
Compound_23	CC(C(=O)c1ccccc1)C	0.886	0.127	0.597	0.534	0.032	0.154	0.783	0.106	0.162	0.956	0.402
Compound_24	CN([C@@H]1C(=O)C(=C([C@@]2([C@H]1[C@@H](O)[C@H]1C(=C(O)c3c([C@@]1(C)O)cccc3O)C2=O)O)O)C(=O)N)C	0.505	0.666	0.002	0.05	0.164	0.513	0.001	0.059	0.264	0.186	0.087
Compound_25	NC(=S)N	0.476	0.099	0.4	0.46	0.463	0.039	0.123	0.727	0.979	0.968	0.519
Compound_26	COP(=O)(OC=C(Cl)Cl)OC	0.941	0.401	0.765	0.687	0.147	0.172	0.971	0.999	0.058	0.974	0.743
Compound_27	CCCCCOC(=O)C	0.824	0.016	0.182	0.706	0.053	0.026	0.997	0.861	0.836	0.944	0.885
Compound_28	C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](CC1CC(=O)NC(=O)C1)O	0.102	0.763	0.005	0.521	0.026	0.898	0.928	0.821	0.924	0.139	0.026
Compound_29	O=C1NC(=O)N(C1)/N=C/c1ccc(o1)N(=O)=O	0.109	0.334	0.39	0.329	0.635	0.571	0.012	0.992	0.288	0.31	0.407
Compound_30	C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12	0.986	1.0	0.058	0.678	0.924	0.898	0.037	0.945	0.555	0.99	0.087
Compound_31	COc1ccc(cc1)N=Nc1cc(C)c(cc1OC)N=Nc1ccc(cc1)S(=O)(=O)[O-]	0.67	0.521	0.96	0.508	0.744	0.671	0.431	0.669	0.409	0.92	0.139
Compound_32	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C	0.975	1.0	0.009	0.899	0.798	0.865	0.02	0.119	0.044	0.418	0.065
Compound_33	Clc1cc(ccc1Oc1ccc(c(c1)C(=O)NS(=O)(=O)C)N(=O)=O)C(F)(F)F	0.848	0.699	0.77	0.628	0.888	0.824	0.974	0.99	0.414	0.982	0.809
Compound_34	Clc1ccccc1c1nnc(nn1)c1ccccc1Cl	0.724	0.675	0.958	0.79	0.519	0.898	0.613	0.622	0.976	0.055	0.193
Compound_35	Oc1cccc(c1)C[C@@H]1C(=O)OC[C@H]1Cc1cccc(c1)O	0.874	0.6	0.378	0.722	0.942	0.62	0.996	0.391	0.5	0.912	0.567
Compound_36	CCN(=O)=O	0.626	0.077	0.386	0.521	0.038	0.077	0.263	0.863	0.856	0.959	0.812
Compound_37	C#C[C@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12	0.986	1.0	0.058	0.76	0.924	0.898	0.037	0.967	0.735	0.997	0.328
Compound_38	[S-]C(=S)NCCNC(=S)[S-]	0.056	0.044	0.548	0.403	0.16	0.098	0.001	0.935	0.551	0.908	0.89
Compound_39	CCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C	0.378	0.145	0.01	0.32	0.006	0.098	0.001	0.139	0.341	0.02	0.104
Compound_40	Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O	0.952	0.338	0.199	0.879	0.845	0.742	0.935	0.854	0.511	0.967	0.918