pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.74	Datawarrior	0	-1	O=[N+]([O-])Nc1ccccc1	O=[N+]([O-])[N-]c1ccccc1	mol12973	O=[N+]([O-])Nc1ccccc1
4.7399998	OCHEM	0	-1	O=[N+]([O-])Nc1ccccc1	O=[N+]([O-])[N-]c1ccccc1	mol12973	O=[N+]([O-])Nc1ccccc1
4.63000011444092	QSARToolbox	0	-1	O=[N+]([O-])Nc1ccccc1	O=[N+]([O-])[N-]c1ccccc1	mol12973	O=[N+]([O-])Nc1ccccc1