pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.05	IUPAC digitized pKa	0	-1	O=C(O)[C@H](O)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	O=C([O-])[C@H](O)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	mol9177	O=C(O)C(O)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
3.5	QSARToolbox	0	-1	O=C(O)[C@H](O)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	O=C([O-])[C@H](O)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	mol9177	O=C(O)C(O)CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]