pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	IUPAC digitized pKa	0	-1	[NH3+]CCP(=O)([O-])O	[NH3+]CCP(=O)([O-])[O-]	mol8980	NCCP(=O)(O)O
2.45	IUPAC digitized pKa	1	0	[NH3+]CCP(=O)(O)O	[NH3+]CCP(=O)([O-])O	mol8980	NCCP(=O)(O)O
2.45000004768372	QSARToolbox	1	0	[NH3+]CCP(=O)(O)O	[NH3+]CCP(=O)([O-])O	mol8980	NCCP(=O)(O)O
10.8	IUPAC digitized pKa	-1	-2	[NH3+]CCP(=O)([O-])[O-]	NCCP(=O)([O-])[O-]	mol8980	NCCP(=O)(O)O
10.72	AttenGpKa training set	-1	-2	[NH3+]CCP(=O)([O-])[O-]	NCCP(=O)([O-])[O-]	mol8980	NCCP(=O)(O)O