pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
16.5	QSARToolbox	0	-1	CC(N)=O	CC([NH-])=O	mol3069	CC(N)=O
15.1	AttenGpKa training set	0	-1	CC(N)=O	CC([NH-])=O	mol3069	CC(N)=O
-0.05	AttenGpKa training set	1	0	CC(N)=[OH+]	CC(N)=O	mol3069	CC(N)=O