pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.0	IUPAC digitized pKa	0	-1	COC(=O)Nc1ccc([N+](=O)[O-])cc1	COC(=O)[N-]c1ccc([N+](=O)[O-])cc1	mol10618	COC(=O)Nc1ccc([N+](=O)[O-])cc1
13.1000003814697	QSARToolbox	0	-1	COC(=O)Nc1ccc([N+](=O)[O-])cc1	COC(=O)[N-]c1ccc([N+](=O)[O-])cc1	mol10618	COC(=O)Nc1ccc([N+](=O)[O-])cc1