pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.83	IUPAC digitized pKa	0	-1	O=C(O)c1cc([N+](=O)[O-])cc2ccccc12	O=C([O-])c1cc([N+](=O)[O-])cc2ccccc12	mol11544	O=C(O)c1cc([N+](=O)[O-])cc2ccccc12
2.82999992370605	QSARToolbox	0	-1	O=C(O)c1cc([N+](=O)[O-])cc2ccccc12	O=C([O-])c1cc([N+](=O)[O-])cc2ccccc12	mol11544	O=C(O)c1cc([N+](=O)[O-])cc2ccccc12