pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Datawarrior	0	-1	O=C(O)c1cccc(/C=C/[N+](=O)[O-])c1	O=C([O-])c1cccc(/C=C/[N+](=O)[O-])c1	mol13253	O=C(O)c1cccc(/C=C/[N+](=O)[O-])c1
3.90000009536743	QSARToolbox	0	-1	O=C(O)c1cccc(/C=C/[N+](=O)[O-])c1	O=C([O-])c1cccc(/C=C/[N+](=O)[O-])c1	mol13253	O=C(O)c1cccc(/C=C/[N+](=O)[O-])c1