Index	SMILES	AR	AR-LBD	AhR	Aromatase	ER	ER-LBD	PPAR-gamma	ARE	ATAD5	HSE	p53
Compound_1	OC(=O)Cc1c(Cl)ccc(c1Cl)Cl	0.129	0.102	0.341	0.342	0.603	0.412	0.998	0.842	0.423	0.644	0.127
Compound_2	Brc1c(Br)ccc(c1Br)c1cc(Br)c(c(c1)Br)Br	0.989	0.38	0.99	0.788	0.599	0.098	0.997	0.766	0.926	0.996	0.835
Compound_3	Fc1cccc(c1Cn1nnc(c1)C(=O)N)F	0.523	0.289	0.341	0.345	0.155	0.098	0.632	0.148	0.561	0.007	0.219
Compound_4	O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F	0.79	0.592	0.982	0.754	0.859	0.708	0.981	0.803	0.422	0.83	0.963
Compound_5	O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F	0.95	0.592	0.965	0.736	0.976	0.898	0.986	0.975	0.467	0.83	0.963
Compound_6	Clc1c[nH]cc1c1cccc(c1N(=O)=O)Cl	0.887	0.587	0.81	0.678	0.686	0.646	0.334	0.583	0.787	0.974	0.883
Compound_7	[CH]1C=CC=C1	0.854	0.301	0.41	0.626	0.246	0.017	0.996	0.869	0.937	0.998	0.81
Compound_8	O=N(=O)c1ccc(o1)c1n[nH]c(=O)o1	0.151	0.453	0.705	0.43	0.53	0.573	0.242	0.933	0.478	0.647	0.625
Compound_9	NC(=NN=C(C=Cc1ccc(o1)N(=O)=O)C=Cc1ccc(o1)N(=O)=O)N	0.183	0.714	0.861	0.473	0.721	0.605	0.144	0.646	0.787	0.963	0.872
Compound_10	OC(=O)/C=C/c1cnc[nH]1	0.322	0.33	0.255	0.34	0.27	0.77	0.0	0.406	0.747	0.015	0.813
Compound_11	c1scnc1C#N	0.58	0.453	0.566	0.545	0.239	0.64	0.679	0.945	0.933	0.906	0.96
Compound_12	NCCC(=O)N[C@H](C(=O)[O-])Cc1c[n-]cn1	0.368	0.239	0.008	0.268	0.105	0.135	0.001	0.239	0.033	0.005	0.304
Compound_13	Clc1cc(cnc1Nc1c(cc(c(c1N(=O)=O)Cl)C(F)(F)F)N(=O)=O)C(F)(F)F	0.781	0.645	0.947	0.813	0.757	0.538	0.983	0.971	0.525	0.931	0.918
Compound_14	Clc1ncc(cc1Cl)C(Cl)(Cl)Cl	0.505	0.324	0.913	0.761	0.139	0.555	0.042	0.747	0.95	0.983	0.32
Compound_15	OC(=O)c1cc(O)c(c(c1)O)O	0.732	0.161	0.187	0.415	0.718	0.098	0.357	0.901	0.609	0.839	0.066
Compound_16	OC(=O)Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O	0.177	0.464	0.189	0.691	0.843	0.456	0.997	0.095	0.225	0.897	0.918
Compound_17	Nc1cc(Cl)c(c(c1)Cl)O	0.698	0.495	0.826	0.542	0.691	0.311	0.988	0.977	0.93	0.839	0.992
Compound_18	Ic1cc(I)c(c(c1)C(=O)O)I	0.762	0.116	0.374	0.61	0.366	0.08	0.979	0.96	0.386	0.74	0.257
Compound_19	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_20	Clc1c[nH]c(=O)cc1O	0.165	0.39	0.098	0.494	0.521	0.303	0.793	0.047	0.425	0.122	0.61
Compound_21	Brc1cc(Br)c(cc1Oc1cc(Br)c(cc1Br)Br)Br	0.957	0.704	0.941	0.744	0.648	0.652	0.995	0.987	0.538	0.999	0.995
Compound_22	Clc1cc(N(=O)=O)c(c(c1Cl)Cl)Cl	0.963	0.122	0.971	0.635	0.103	0.439	0.999	0.997	0.95	0.999	0.936
Compound_23	O=N(=O)c1cc(c(c(c1Cl)N(=O)=O)Cl)C(F)(F)F	0.993	0.676	0.513	0.71	0.582	0.346	0.991	0.999	0.543	0.988	0.926
Compound_24	ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@H]1[C@@H]2[C@@H]2C[C@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl	0.951	0.649	0.467	0.64	0.838	0.638	0.984	0.891	0.217	0.997	0.919
Compound_25	ClC(C1=C(Cl)C(=O)OC1O)Cl	0.952	0.385	0.102	0.643	0.196	0.418	0.976	0.989	0.84	0.947	0.918
Compound_26	S=c1[nH][nH]c(=S)s1	0.472	0.375	0.623	0.512	0.374	0.105	0.117	0.02	0.9	0.963	0.678
Compound_27	Clc1ssc(=O)c1Cl	0.912	0.659	0.725	0.56	0.554	0.098	0.997	0.129	0.944	1.0	0.769
Compound_28	ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl	0.906	0.412	0.44	0.648	0.731	0.446	0.988	1.0	0.901	0.997	0.865
Compound_29	Clc1nc(c(c(c1Cl)Cl)Cl)C(Cl)(Cl)Cl	0.648	0.324	0.759	0.648	0.668	0.816	0.99	0.988	0.439	0.983	0.32
Compound_30	OC(=O)c1nc(Cl)c(c(c1Cl)Cl)Cl	0.285	0.228	0.839	0.41	0.585	0.479	0.952	0.857	0.706	0.573	0.247
Compound_31	C=CCOCC1CO1	0.968	0.209	0.498	0.678	0.782	0.308	0.945	0.986	0.536	0.996	0.935
Compound_32	C=CCOc1nc(OCC=C)nc(n1)OCC=C	0.875	0.212	0.813	0.681	0.24	0.205	0.511	0.976	0.434	0.206	0.574
Compound_33	C=CCOc1ccc(cc1Cl)CC(=O)O	0.175	0.503	0.706	0.501	0.905	0.533	0.969	0.876	0.221	0.898	0.087
Compound_34	OCC=C	0.782	0.104	0.183	0.572	0.296	0.072	0.962	0.981	0.123	0.627	0.888
Compound_35	C=CCN1CCc2c(CC1)nc(s2)N	0.353	0.206	0.175	0.258	0.093	0.098	0.023	0.047	0.067	0.456	0.241
Compound_36	C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C	0.255	0.279	0.348	0.582	0.161	0.202	0.036	0.99	0.281	0.209	0.625
Compound_37	C=CCN(CC=C)CC=C	0.297	0.163	0.126	0.236	0.178	0.04	0.139	0.982	0.182	0.988	0.72
Compound_38	ClCC=C	0.93	0.055	0.308	0.706	0.565	0.033	0.996	0.996	0.623	0.998	0.913
Compound_39	BrCC=C	0.906	0.064	0.308	0.706	0.336	0.027	0.997	0.996	0.377	0.999	0.929
Compound_40	C=CC1=CCCCC1	0.963	0.418	0.814	0.584	0.249	0.176	0.994	0.951	0.905	0.999	0.819
Compound_41	C=Cc1ccccn1	0.585	0.258	0.584	0.534	0.032	0.195	0.064	0.978	0.901	0.876	0.426
Compound_42	C=Cc1ccccc1	0.97	0.287	0.612	0.583	0.051	0.076	0.998	0.976	0.917	0.997	0.419
Compound_43	C=Cc1ccc(cc1)C=C	0.966	0.287	0.579	0.576	0.05	0.096	0.999	0.986	0.932	0.997	0.419
Compound_44	C=CC=O	0.914	0.199	0.557	0.625	0.279	0.618	0.999	0.999	0.918	1.0	0.908
Compound_45	C=CC(=O)OCCOCCOCCOCCOC(=O)C=C	0.979	0.135	0.472	0.741	0.905	0.894	0.999	0.998	0.976	0.999	0.948
Compound_46	C=CC(=O)OCCOCCOC(=O)C=C	0.984	0.135	0.472	0.741	0.877	0.898	1.0	0.998	0.976	0.999	0.948
Compound_47	OC(=O)CCC(=O)OCCOC(=O)C=C	0.917	0.231	0.274	0.313	0.853	0.865	0.991	0.966	0.683	0.981	0.735
Compound_48	C=CC(=O)OCCOC(=O)C=C	0.991	0.131	0.57	0.749	0.877	0.898	1.0	0.999	0.977	0.992	0.936