pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.87	Datawarrior	0	-1	O=C(O)c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1	O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1	mol14760	O=C(O)c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1
2.8699999	OCHEM	0	-1	O=C(O)c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1	O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1	mol14760	O=C(O)c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1
2.86999988555908	QSARToolbox	0	-1	O=C(O)c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1	O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1	mol14760	O=C(O)c1cccc([N+](=O)[O-])c1C(=O)c1ccccc1