pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.92	Datawarrior	0	-1	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]	O=[N+]([O-])c1cc2nc[n-]c2cc1[N+](=O)[O-]	mol15696	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]
8.9200001	OCHEM	0	-1	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]	O=[N+]([O-])c1cc2nc[n-]c2cc1[N+](=O)[O-]	mol15696	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]
8.92000007629395	QSARToolbox	0	-1	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]	O=[N+]([O-])c1cc2nc[n-]c2cc1[N+](=O)[O-]	mol15696	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]
1.73	Datawarrior	1	0	O=[N+]([O-])c1cc2[nH]c[nH+]c2cc1[N+](=O)[O-]	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]	mol15696	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]
1.72000002861023	QSARToolbox	1	0	O=[N+]([O-])c1cc2[nH]c[nH+]c2cc1[N+](=O)[O-]	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]	mol15696	O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]