pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.45000004768372	QSARToolbox	0	-1	COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol30776	COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
2.45	AttenGpKa training set	0	-1	COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	mol30776	COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O