pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.59	AttenGpKa training set	1	0	CC(C)c1ccc(O)c(C[NH+](C)C)c1	CC(C)c1ccc(O)c(CN(C)C)c1,CC(C)c1ccc([O-])c(C[NH+](C)C)c1	mol30629	CC(C)c1ccc(O)c(CN(C)C)c1