pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.55	AttenGpKa training set	0	-1	C[NH2+][C@@H](CO)c1ccc([O-])cc1,CN[C@@H](CO)c1ccc(O)cc1	CN[C@@H](CO)c1ccc([O-])cc1	mol24273	CNC(CO)c1ccc(O)cc1
9.79	AttenGpKa training set	0	-1	C[NH2+][C@@H](CO)c1ccc([O-])cc1,CN[C@@H](CO)c1ccc(O)cc1	CN[C@@H](CO)c1ccc([O-])cc1	mol24273	CNC(CO)c1ccc(O)cc1