pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.51999998092651	QSARToolbox	0	-1	O=C(O)CNc1ccc([N+](=O)[O-])cc1	O=C([O-])CNc1ccc([N+](=O)[O-])cc1	mol23421	O=C(O)CNc1ccc([N+](=O)[O-])cc1
3.87	AttenGpKa training set	0	-1	O=C(O)CNc1ccc([N+](=O)[O-])cc1	O=C([O-])CNc1ccc([N+](=O)[O-])cc1	mol23421	O=C(O)CNc1ccc([N+](=O)[O-])cc1