pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	IUPAC digitized pKa	0	-1	O=C(O)CCO[N+](=O)[O-]	O=C([O-])CCO[N+](=O)[O-]	mol9038	O=C(O)CCO[N+](=O)[O-]
3.97000002861023	QSARToolbox	0	-1	O=C(O)CCO[N+](=O)[O-]	O=C([O-])CCO[N+](=O)[O-]	mol9038	O=C(O)CCO[N+](=O)[O-]