Index SMILES Probability Label Compound_1 CC(c1cc(Cl)c(c(c1)Cl)O)(c1cc(Cl)c(c(c1)Cl)O)C 0.99 1.0 Compound_2 CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C 0.99 1.0 Compound_3 Cc1cc(Cc2cc(C)c(c(c2)C)O)cc(c1O)C 0.99 1.0 Compound_4 Oc1ccc(cc1c1ccccc1)C(c1ccc(c(c1)c1ccccc1)O)(C)C 1.0 1.0 Compound_5 CC(c1cc(ccc1O)C(c1ccc(c(c1)C(C)C)O)(C)C)C 1.0 1.0 Compound_6 CC(c1ccc(cc1)OCC1OC1)(c1ccc(cc1)OCC1OC1)C 0.97 1.0 Compound_7 Oc1ccc(cc1)C(c1ccc(cc1)C(c1ccc(cc1)O)(C)C)C 1.0 1.0 Compound_8 Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1cccc(c1)OS(=O)(=O)c1ccc(cc1)C 0.81 1.0 Compound_9 O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)NS(=O)(=O)c1ccc(cc1)C 0.21 0.0 Compound_10 Oc1ccc(cc1)Sc1ccc(cc1)O 0.98 1.0 Compound_11 Oc1ccc(cc1)Cc1ccc(cc1)O 0.99 1.0 Compound_12 Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O 0.99 1.0 Compound_13 Oc1ccc(cc1)C(=O)OCc1ccccc1 1.0 1.0 Compound_14 COC(=O)C(c1ccc(cc1)O)c1ccc(cc1)O 0.97 1.0 Compound_15 Oc1ccc(cc1)C(c1ccc(cc1)O)(c1ccccc1)C 1.0 1.0 Compound_16 FC(C(C(F)(F)F)(c1ccc(cc1)O)c1ccc(cc1)O)(F)F 0.99 1.0 Compound_17 CC(CC(c1ccc(cc1)O)(c1ccc(cc1)O)C)C 1.0 1.0 Compound_18 CCC(c1ccc(cc1)O)(c1ccc(cc1)O)C 1.0 1.0 Compound_19 CC(c1ccc(cc1)O)(c1ccc(cc1)O)C 1.0 1.0 Compound_20 CC(c1ccc(cc1)O)c1ccc(cc1)O 0.99 1.0 Compound_21 Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OCc1ccccc1 0.95 1.0 Compound_22 C=CCOc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O 0.88 1.0 Compound_23 CC(Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O)C 0.92 1.0 Compound_24 Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O 0.97 1.0 Compound_25 Oc1ccc(cc1)S(=O)(=O)c1ccccc1O 0.85 1.0