pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	IUPAC digitized pKa	0	-1	O=Cc1cc(Br)cc([N+](=O)[O-])c1O	O=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	mol10289	O=Cc1cc(Br)cc([N+](=O)[O-])c1O
4.46000003814697	QSARToolbox	0	-1	O=Cc1cc(Br)cc([N+](=O)[O-])c1O	O=Cc1cc(Br)cc([N+](=O)[O-])c1[O-]	mol10289	O=Cc1cc(Br)cc([N+](=O)[O-])c1O