Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	COc1cc(O)c(c(c1)O)C(=O)c1c(C)cc(cc1OC)O	0.772	0.746	0.979	0.813	0.94	0.949	0.988	0.182	0.795	0.391	0.895
Compound_2	CC(=CCc1c(O)ccc(c1O)c1coc2c(c1=O)c(O)cc(c2)O)C	0.876	0.815	0.964	0.718	0.937	0.992	0.976	0.99	0.84	0.044	0.758
Compound_3	FC(C(C(C(C(S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F	0.746	0.114	0.182	0.782	0.321	0.251	0.988	0.839	0.336	0.889	0.205
Compound_4	CCCCCC(=O)OCCc1scnc1C	0.571	0.557	0.237	0.565	0.068	0.67	0.653	0.566	0.17	0.938	0.865
Compound_5	Oc1cc(C)c(c(c1)C)Cl	0.761	0.133	0.417	0.641	0.472	0.168	0.329	0.115	0.744	0.958	0.675
Compound_6	O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O	0.879	0.515	0.072	0.416	0.954	0.098	0.271	0.842	0.335	0.774	0.527
Compound_7	CCCCC(COC(=O)c1ccccc1C(=O)O)CC	0.839	0.142	0.097	0.287	0.2	0.093	0.982	0.017	0.525	0.765	0.763
Compound_8	O=Cc1cccc2c1cccc2	0.956	0.67	0.79	0.614	0.087	0.543	0.996	0.836	0.813	0.997	0.988
Compound_9	C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O	0.701	0.583	0.266	0.36	0.254	0.28	0.016	0.727	0.048	0.544	0.313
Compound_10	OC[C@H]1O[C@@H](O[C@H](c2ccc(cc2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O	0.339	0.418	0.093	0.561	0.671	0.637	0.273	0.07	0.381	0.203	0.3
Compound_11	O=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C)/C	0.989	0.189	0.946	0.723	0.634	0.939	0.999	0.988	0.974	0.999	0.789
Compound_12	C=CC1=C[C@@H](O)[C@@H]2[C@@H]([C@@H]1C)CC[C@H]1[C@@]2(C)CCCC1(C)C	0.959	0.649	0.175	0.723	0.914	0.933	0.068	0.989	0.522	0.995	0.896
Compound_13	CC12CCCC(C2)(O)C2C(CC1)C(C2)(C)C	0.917	0.468	0.041	0.479	0.535	0.586	0.385	0.665	0.351	0.893	0.336
Compound_14	OC(=O)CCOc1ccccc1	0.262	0.236	0.245	0.405	0.421	0.033	0.537	0.086	0.411	0.003	0.016
Compound_15	O[C@@H]1CC(=C(C(C1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C)C	0.962	0.58	0.751	0.76	0.865	0.92	0.477	0.992	0.733	0.989	0.887
Compound_16	OC(=O)CSCC(=O)O	0.37	0.061	0.047	0.214	0.171	0.019	0.061	0.658	0.482	0.045	0.563
Compound_17	OC(=O)c1ccc2c(c1O)cccc2	0.411	0.78	0.656	0.464	0.5	0.781	0.936	0.924	0.878	0.885	0.513
Compound_18	OC[C@H]1O[C@H]([C@@H]([C@@H]1O[C@H]1O[C@@H](CN)[C@H]([C@@H]([C@H]1N)O)O)O)O[C@@H]1[C@@H](O)[C@H](N)C[C@@H]([C@H]1O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1N)O)O)N	0.069	0.814	0.001	0.177	0.233	0.492	0.001	0.008	0.058	0.11	0.105
Compound_19	CC(=O)CCC=C(CCC(=C)C(C)C)C	0.93	0.028	0.526	0.589	0.102	0.003	0.737	0.946	0.566	1.0	0.962
Compound_20	OC(=O)CNCCNCC(=O)O	0.005	0.058	0.011	0.142	0.047	-0.0	0.0	0.017	0.031	0.037	0.151
Compound_21	CSCCCCCC/C=N/O	0.655	0.144	0.454	0.531	0.282	0.26	0.427	0.885	0.399	0.739	0.792
Compound_22	Oc1ccc2c(c1)sc(c2)C(N(C(=O)N)O)C	0.466	0.434	0.444	0.375	0.467	0.516	0.017	0.209	0.665	0.072	0.562
Compound_23	OC(=O)[C@H](CCC(C(C(=O)O)N)C(=O)O)N	0.01	0.044	0.022	0.154	0.024	0.015	0.013	0.008	0.295	0.001	0.042
Compound_24	OC(=O)CCCCCC(=O)C(N)C	0.054	0.063	0.05	0.12	0.025	0.014	0.001	0.036	0.034	0.017	0.021
Compound_25	COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1OC	0.682	0.709	0.449	0.271	0.141	0.265	0.005	0.37	0.151	0.235	0.17
Compound_26	OC(=O)CCc1nc(c(o1)c1ccccc1)c1ccccc1	0.053	0.519	0.811	0.144	0.673	0.584	0.956	0.277	0.279	0.001	0.066
Compound_27	CC(=CCc1cc(ccc1O)C(=O)Nc1c(=O)oc2c(c1O)ccc(c2C)O)C	0.679	0.689	0.896	0.67	0.758	0.979	0.976	0.992	0.501	0.792	0.538
Compound_28	OC[C@H]([C@H]([C@@](C=O)(CO)O)O)O	0.2	0.072	0.046	0.39	0.06	0.372	0.022	0.008	0.127	0.234	0.168
Compound_29	OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2	0.149	0.485	0.183	0.18	0.793	0.345	0.016	0.024	0.157	0.235	0.09
Compound_30	Cn1c(=O)[nH]c2c(c1=O)ncnn2	0.153	0.442	0.059	0.314	0.08	0.286	0.001	0.012	0.766	0.007	0.117
Compound_31	OCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C	0.453	0.143	0.206	0.44	0.256	0.199	0.634	0.129	0.511	0.12	0.894
Compound_32	Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1	0.036	0.57	0.258	0.128	0.659	0.706	0.028	0.033	0.235	0.004	0.177
Compound_33	CCOC(=O)Cn1cccc1c1nc(c(s1)c1ccc(cc1)OC)c1ccc(cc1)OC	0.693	0.751	0.997	0.767	0.531	0.815	0.984	0.948	0.058	0.657	0.843
Compound_34	OC[C@H]1O[C@@H](Oc2ccccc2/C=C/C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O	0.458	0.295	0.046	0.392	0.349	0.298	0.249	0.159	0.528	0.584	0.371
Compound_35	COc1cc2CCNC(c2c(c1OC)O)C	0.104	0.485	0.089	0.45	0.043	0.088	0.012	0.037	0.583	0.005	0.281
Compound_36	OC[C@@H]([C@@H]([C@H](C(=O)O)O)O)O	0.125	0.074	0.009	0.133	0.075	0.08	0.009	0.12	0.006	0.089	0.043
Compound_37	NC[C@@]1(O)CC[C@H](NC1=O)C(=O)O	0.018	0.293	0.008	0.132	0.011	0.018	0.001	0.147	0.244	0.003	0.028
Compound_38	OC(=O)C(O)(C)C	0.352	0.119	0.026	0.167	0.041	0.011	0.709	0.172	0.177	0.039	0.355
Compound_39	CO[C@@H]1[C@H](O)O[C@H]([C@H]([C@H]1O)O)C	0.643	0.192	0.028	0.449	0.027	0.197	0.047	0.218	0.467	0.125	0.02
Compound_40	CN(CCN(c1ccccn1)Cc1cscc1)C	0.066	0.649	0.007	0.107	0.075	0.613	0.066	0.001	0.596	0.005	0.066
Compound_41	COc1ccc2c(c1OC)C(=O)OC2C1N(C)CCc2c1c(OC)c1c(c2)OCO1	0.584	0.728	0.935	0.123	0.337	0.655	0.416	0.016	0.306	0.017	0.918
Compound_42	c1coc(c1)CNc1ncnc2c1[nH]cn2	0.204	0.578	0.856	0.39	0.484	0.669	0.027	0.37	0.302	0.135	0.66