pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.15	AttenGpKa training set	1	0	CCOC(=O)[C@@H]([NH3+])CO	CCOC(=O)[C@@H](N)CO	mol29311	CCOC(=O)[C@@H](N)CO