pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	IUPAC digitized pKa	1	0	[NH3+]c1ncncc1Br,Nc1[nH+]cncc1Br,Nc1nc[nH+]cc1Br	Nc1ncncc1Br	mol7000	Nc1ncncc1Br
3.15	IUPAC digitized pKa	1	0	[NH3+]c1ncncc1Br,Nc1[nH+]cncc1Br,Nc1nc[nH+]cc1Br	Nc1ncncc1Br	mol7000	Nc1ncncc1Br
3.67	OCHEM	1	0	[NH3+]c1ncncc1Br,Nc1[nH+]cncc1Br,Nc1nc[nH+]cc1Br	Nc1ncncc1Br	mol7000	Nc1ncncc1Br
3.97000002861023	QSARToolbox	1	0	[NH3+]c1ncncc1Br,Nc1[nH+]cncc1Br,Nc1nc[nH+]cc1Br	Nc1ncncc1Br	mol7000	Nc1ncncc1Br