Index SMILES Probability Label Compound_1 CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nc(=O)c(nn1C)[O-] 0.0 0.0 Compound_2 CN1CCN(CC1)c1c(F)cc2c3c1SCCn3cc(c2=O)C(=O)O 0.0 0.0 Compound_3 CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2c1ccc(cc1)F)C(=O)O 0.0 0.0 Compound_4 CN1CCc2c(C1O)cc1c(c2)OCO1 0.3 0.0