pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.48	IUPAC digitized pKa	0	-1	O=Cc1cc([N+](=O)[O-])cc(Br)c1O	O=Cc1cc([N+](=O)[O-])cc(Br)c1[O-]	mol10288	O=Cc1cc([N+](=O)[O-])cc(Br)c1O
3.48000001907349	QSARToolbox	0	-1	O=Cc1cc([N+](=O)[O-])cc(Br)c1O	O=Cc1cc([N+](=O)[O-])cc(Br)c1[O-]	mol10288	O=Cc1cc([N+](=O)[O-])cc(Br)c1O