pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-6.64	IUPAC digitized pKa	1	0	[NH3+]c1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	mol3330	Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
-6.94	OCHEM	1	0	[NH3+]c1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	mol3330	Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
-6.6399998664856	QSARToolbox	1	0	[NH3+]c1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	mol3330	Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
-6.71000003814697	QSARToolbox	1	0	[NH3+]c1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]	mol3330	Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]