Index SMILES Probability Label Compound_1 Clc1ccc(c(c1Cl)Cl)c1cccc(c1Cl)Cl 1.0 1.0 Compound_2 Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O 0.99 1.0 Compound_3 ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl 0.73 1.0 Compound_4 CC(c1ccc(cc1)O)(c1ccc(cc1)O)C 1.0 1.0 Compound_5 O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl 0.99 1.0 Compound_6 C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O 0.03 0.0 Compound_7 c1ccc2c(c1)cccc2 1.0 1.0