pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.02	IUPAC digitized pKa	0	-1	O=C([O-])CC[NH+](CCC(=O)O)[N+](=O)[O-]	O=C([O-])CC[NH+](CCC(=O)[O-])[N+](=O)[O-]	mol9796	O=C(O)CCN(CCC(=O)O)[N+](=O)[O-]
5.07000017166138	QSARToolbox	0	-1	O=C([O-])CC[NH+](CCC(=O)O)[N+](=O)[O-]	O=C([O-])CC[NH+](CCC(=O)[O-])[N+](=O)[O-]	mol9796	O=C(O)CCN(CCC(=O)O)[N+](=O)[O-]
3.78	IUPAC digitized pKa	-1	-2	O=C([O-])CC[NH+](CCC(=O)[O-])[N+](=O)[O-]	O=C([O-])CCN(CCC(=O)[O-])[N+](=O)[O-]	mol9796	O=C(O)CCN(CCC(=O)O)[N+](=O)[O-]