pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.40999984741211	QSARToolbox	0	-1	CN(O)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	CN([O-])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol31458	CN(O)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
7.41	AttenGpKa training set	0	-1	CN(O)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	CN([O-])C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	mol31458	CN(O)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1