pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.94	Datawarrior	0	-1	O=C(O)c1ccc(/C=C/[N+](=O)[O-])cc1	O=C([O-])c1ccc(/C=C/[N+](=O)[O-])cc1	mol13254	O=C(O)c1ccc(/C=C/[N+](=O)[O-])cc1
3.94000005722046	QSARToolbox	0	-1	O=C(O)c1ccc(/C=C/[N+](=O)[O-])cc1	O=C([O-])c1ccc(/C=C/[N+](=O)[O-])cc1	mol13254	O=C(O)c1ccc(/C=C/[N+](=O)[O-])cc1