Index SMILES Probability Label Compound_1 COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl 0.99 1.0 Compound_2 COc1cc(C=O)ccc1O 0.93 1.0 Compound_3 OC[C@H]1O[C@@H](Oc2cc3occ(c(=O)c3cc2OC)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O 0.76 1.0 Compound_4 COc1cc(C=O)ccc1OC 0.91 1.0 Compound_5 COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl 0.92 1.0 Compound_6 COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccccc1 0.69 1.0 Compound_7 COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl 0.99 1.0 Compound_8 COC=O 0.88 1.0 Compound_9 COC(Cc1ccccc1)OC 0.87 1.0 Compound_10 COC(=O)Nc1nc2c([nH]1)cccc2 0.89 1.0