pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.72	IUPAC digitized pKa	1	0	COc1ccc([N+](=O)[O-])c([NH3+])c1	COc1ccc([N+](=O)[O-])c(N)c1	mol1696	COc1ccc([N+](=O)[O-])c(N)c1
-0.72000002861023	QSARToolbox	1	0	COc1ccc([N+](=O)[O-])c([NH3+])c1	COc1ccc([N+](=O)[O-])c(N)c1	mol1696	COc1ccc([N+](=O)[O-])c(N)c1