pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.59	OCHEM	1	0	COC(=O)c1ccc([NH3+])c([N+](=O)[O-])c1	COC(=O)c1ccc(N)c([N+](=O)[O-])c1	mol6052	COC(=O)c1ccc(N)c([N+](=O)[O-])c1
-2.60999989509583	QSARToolbox	1	0	COC(=O)c1ccc([NH3+])c([N+](=O)[O-])c1	COC(=O)c1ccc(N)c([N+](=O)[O-])c1	mol6052	COC(=O)c1ccc(N)c([N+](=O)[O-])c1
-2.5699999332428	QSARToolbox	1	0	COC(=O)c1ccc([NH3+])c([N+](=O)[O-])c1	COC(=O)c1ccc(N)c([N+](=O)[O-])c1	mol6052	COC(=O)c1ccc(N)c([N+](=O)[O-])c1
-2.61	AttenGpKa training set	1	0	COC(=O)c1ccc([NH3+])c([N+](=O)[O-])c1	COC(=O)c1ccc(N)c([N+](=O)[O-])c1	mol6052	COC(=O)c1ccc(N)c([N+](=O)[O-])c1