pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.73	IUPAC digitized pKa	0	-1	O=[N+]([O-])C(CCO)[N+](=O)[O-]	O=[N+]([O-])[C-](CCO)[N+](=O)[O-]	mol9053	O=[N+]([O-])C(CCO)[N+](=O)[O-]
4.68	IUPAC digitized pKa	0	-1	O=[N+]([O-])C(CCO)[N+](=O)[O-]	O=[N+]([O-])[C-](CCO)[N+](=O)[O-]	mol9053	O=[N+]([O-])C(CCO)[N+](=O)[O-]
4.52	IUPAC digitized pKa	0	-1	O=[N+]([O-])C(CCO)[N+](=O)[O-]	O=[N+]([O-])[C-](CCO)[N+](=O)[O-]	mol9053	O=[N+]([O-])C(CCO)[N+](=O)[O-]
4.37	IUPAC digitized pKa	0	-1	O=[N+]([O-])C(CCO)[N+](=O)[O-]	O=[N+]([O-])[C-](CCO)[N+](=O)[O-]	mol9053	O=[N+]([O-])C(CCO)[N+](=O)[O-]
4.24	IUPAC digitized pKa	0	-1	O=[N+]([O-])C(CCO)[N+](=O)[O-]	O=[N+]([O-])[C-](CCO)[N+](=O)[O-]	mol9053	O=[N+]([O-])C(CCO)[N+](=O)[O-]
4.73000001907349	QSARToolbox	0	-1	O=[N+]([O-])C(CCO)[N+](=O)[O-]	O=[N+]([O-])[C-](CCO)[N+](=O)[O-]	mol9053	O=[N+]([O-])C(CCO)[N+](=O)[O-]