pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.09	IUPAC digitized pKa	0	-1	COc1ccc([N+](=O)[O-])c(O)c1	COc1ccc([N+](=O)[O-])c([O-])c1	mol10165	COc1ccc([N+](=O)[O-])c(O)c1
6.54	IUPAC digitized pKa	0	-1	COc1ccc([N+](=O)[O-])c(O)c1	COc1ccc([N+](=O)[O-])c([O-])c1	mol10165	COc1ccc([N+](=O)[O-])c(O)c1
6.815	OCHEM	0	-1	COc1ccc([N+](=O)[O-])c(O)c1	COc1ccc([N+](=O)[O-])c([O-])c1	mol10165	COc1ccc([N+](=O)[O-])c(O)c1
7.90000009536743	QSARToolbox	0	-1	COc1ccc([N+](=O)[O-])c(O)c1	COc1ccc([N+](=O)[O-])c([O-])c1	mol10165	COc1ccc([N+](=O)[O-])c(O)c1
6.53999996185303	QSARToolbox	0	-1	COc1ccc([N+](=O)[O-])c(O)c1	COc1ccc([N+](=O)[O-])c([O-])c1	mol10165	COc1ccc([N+](=O)[O-])c(O)c1