pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.95	Datawarrior	0	-1	O=[N+]([O-])Nc1nnc[nH]1	O=[N+]([O-])[N-]c1nnc[nH]1	mol4291	O=[N+]([O-])Nc1nnc[nH]1
3.95000004768372	QSARToolbox	0	-1	O=[N+]([O-])Nc1nnc[nH]1	O=[N+]([O-])[N-]c1nnc[nH]1	mol4291	O=[N+]([O-])Nc1nnc[nH]1
-2.5	AttenGpKa training set	1	0	O=[N+]([O-])[NH2+]c1nnc[nH]1	O=[N+]([O-])Nc1nnc[nH]1	mol4291	O=[N+]([O-])Nc1nnc[nH]1
10.8000001907349	QSARToolbox	-1	-2	O=[N+]([O-])[N-]c1nnc[nH]1	O=[N+]([O-])[N-]c1nnc[n-]1	mol4291	O=[N+]([O-])Nc1nnc[nH]1