Index SMILES Probability Label Compound_1 CCCCCCCCCCCCCCCCOCC[N+](C)(C)C 0.29 0.0 Compound_2 CCCCCCCCCCCCCCCCOCCOCC[N+]1CCCCC1 0.18 0.0 Compound_3 CCCCCCCCCCCCCCCCOCC[N+]1CCCCC1 0.31 0.0