pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.08	Datawarrior	0	-1	O=C(O)/C=C/c1cccc([N+](=O)[O-])c1	O=C([O-])/C=C/c1cccc([N+](=O)[O-])c1	mol13256	O=C(O)/C=C/c1cccc([N+](=O)[O-])c1
4.12	OCHEM	0	-1	O=C(O)/C=C/c1cccc([N+](=O)[O-])c1	O=C([O-])/C=C/c1cccc([N+](=O)[O-])c1	mol13256	O=C(O)/C=C/c1cccc([N+](=O)[O-])c1
4.07999992370606	QSARToolbox	0	-1	O=C(O)/C=C/c1cccc([N+](=O)[O-])c1	O=C([O-])/C=C/c1cccc([N+](=O)[O-])c1	mol13256	O=C(O)/C=C/c1cccc([N+](=O)[O-])c1