pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.21	IUPAC digitized pKa	0	-1	O=C([O-])C[NH+](CC(=O)O)[N+](=O)[O-],O=C(O)CN(CC(=O)O)[N+](=O)[O-]	O=C([O-])C[NH+](CC(=O)[O-])[N+](=O)[O-]	mol9201	O=C(O)CN(CC(=O)O)[N+](=O)[O-]
2.21000003814697	QSARToolbox	0	-1	O=C([O-])C[NH+](CC(=O)O)[N+](=O)[O-],O=C(O)CN(CC(=O)O)[N+](=O)[O-]	O=C([O-])C[NH+](CC(=O)[O-])[N+](=O)[O-]	mol9201	O=C(O)CN(CC(=O)O)[N+](=O)[O-]
3.33	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH+](CC(=O)[O-])[N+](=O)[O-]	O=C([O-])CN(CC(=O)[O-])[N+](=O)[O-]	mol9201	O=C(O)CN(CC(=O)O)[N+](=O)[O-]
3.32999992370605	QSARToolbox	-1	-2	O=C([O-])C[NH+](CC(=O)[O-])[N+](=O)[O-]	O=C([O-])CN(CC(=O)[O-])[N+](=O)[O-]	mol9201	O=C(O)CN(CC(=O)O)[N+](=O)[O-]