Index SMILES Probability Label Compound_1 CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC 0.57 1.0 Compound_2 CNNC 0.82 1.0 Compound_3 CNCCO 0.95 1.0 Compound_4 CNc1ccccc1 0.98 1.0 Compound_5 CNc1ccc(cc1)N(=O)=O 0.97 1.0 Compound_6 CNC(Cc1ccc2c(c1)OCO2)C 0.94 1.0 Compound_7 CNC(=S)NC 0.61 1.0 Compound_8 CNC(=O)Nc1ccc(c(c1)Cl)Cl 0.9 1.0 Compound_9 CNC(=O)N(c1nc2c(s1)cccc2)C 0.53 1.0 Compound_10 CNC(=O)c1nccc(c1)Oc1ccc(cc1)NC(=O)Nc1ccc(c(c1)C(F)(F)F)Cl 0.01 0.0