pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.62	IUPAC digitized pKa	1	0	[NH3+]CCCCCBr	NCCCCCBr	mol922	NCCCCCBr
9.61999988555908	QSARToolbox	1	0	[NH3+]CCCCCBr	NCCCCCBr	mol922	NCCCCCBr
9.6	AttenGpKa training set	1	0	[NH3+]CCCCCBr	NCCCCCBr	mol922	NCCCCCBr