pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.42	IUPAC digitized pKa	0	-1	CCOC(=O)[C@H](C)C(C)=O	CCOC(=O)[C-](C)C(C)=O	mol10009	CCOC(=O)C(C)C(C)=O
12.46666667	AttenGpKa training set	0	-1	CCOC(=O)[C@H](C)C(C)=O	CCOC(=O)[C-](C)C(C)=O	mol10009	CCOC(=O)C(C)C(C)=O