pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.77	Datawarrior	0	-1	O=[N+]([O-])Nc1nnn[nH]1	O=[N+]([O-])[N-]c1nnn[nH]1,O=[N+]([O-])Nc1nnn[n-]1	mol13626	O=[N+]([O-])Nc1nnn[nH]1
2.54999995231628	QSARToolbox	0	-1	O=[N+]([O-])Nc1nnn[nH]1	O=[N+]([O-])[N-]c1nnn[nH]1,O=[N+]([O-])Nc1nnn[n-]1	mol13626	O=[N+]([O-])Nc1nnn[nH]1
0.61	AttenGpKa training set	0	-1	O=[N+]([O-])Nc1nnn[nH]1	O=[N+]([O-])[N-]c1nnn[nH]1,O=[N+]([O-])Nc1nnn[n-]1	mol13626	O=[N+]([O-])Nc1nnn[nH]1
1.0	AttenGpKa training set	0	-1	O=[N+]([O-])Nc1nnn[nH]1	O=[N+]([O-])[N-]c1nnn[nH]1,O=[N+]([O-])Nc1nnn[n-]1	mol13626	O=[N+]([O-])Nc1nnn[nH]1
-5.64	AttenGpKa training set	1	0	O=[N+]([O-])[NH2+]c1nnn[nH]1	O=[N+]([O-])Nc1nnn[nH]1	mol13626	O=[N+]([O-])Nc1nnn[nH]1
6.03999996185303	QSARToolbox	-1	-2	O=[N+]([O-])[N-]c1nnn[nH]1,O=[N+]([O-])Nc1nnn[n-]1	O=[N+]([O-])[N-]c1nnn[n-]1	mol13626	O=[N+]([O-])Nc1nnn[nH]1