pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.95	Datawarrior	1	0	O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)[nH+]c2c1	O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)nc2c1	mol14854	O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)nc2c1
2.95000004768372	QSARToolbox	1	0	O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)[nH+]c2c1	O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)nc2c1	mol14854	O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)nc2c1