pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Datawarrior	0	-1	CC(=O)c1ccc([O-])c(C[NH+](C)C)c1,CC(=O)c1ccc(O)c(CN(C)C)c1	CC(=O)c1ccc([O-])c(CN(C)C)c1	mol13275	CC(=O)c1ccc(O)c(CN(C)C)c1
9.62	AttenGpKa training set	1	0	CC(=O)c1ccc(O)c(C[NH+](C)C)c1	CC(=O)c1ccc([O-])c(C[NH+](C)C)c1,CC(=O)c1ccc(O)c(CN(C)C)c1	mol13275	CC(=O)c1ccc(O)c(CN(C)C)c1