pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.53	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.57	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.47	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.42	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.35	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.28	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.55	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.45	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.755	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.676	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.602	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.527	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.453	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.388	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.325	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.268	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.211	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.154	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.102	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.4	Datawarrior	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.4000001	OCHEM	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br
2.565	AttenGpKa training set	1	0	[NH3+]c1ccccc1Br	Nc1ccccc1Br	mol977	Nc1ccccc1Br