pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.31	IUPAC digitized pKa	1	0	C[NH2+]CC(N)=O	CNCC(N)=O	mol3070	CNCC(N)=O
8.35	Datawarrior	1	0	C[NH2+]CC(N)=O	CNCC(N)=O	mol3070	CNCC(N)=O
8.3500004	OCHEM	1	0	C[NH2+]CC(N)=O	CNCC(N)=O	mol3070	CNCC(N)=O
8.35000038146973	QSARToolbox	1	0	C[NH2+]CC(N)=O	CNCC(N)=O	mol3070	CNCC(N)=O
8.3100004196167	QSARToolbox	1	0	C[NH2+]CC(N)=O	CNCC(N)=O	mol3070	CNCC(N)=O
8.02	AttenGpKa training set	1	0	C[NH2+]CC(N)=O	CNCC(N)=O	mol3070	CNCC(N)=O