pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.31	IUPAC digitized pKa	1	0	[NH3+]c1ccc2c(c1)CCC2	Nc1ccc2c(c1)CCC2	mol2102	Nc1ccc2c(c1)CCC2
5.35	Datawarrior	1	0	[NH3+]c1ccc2c(c1)CCC2	Nc1ccc2c(c1)CCC2	mol2102	Nc1ccc2c(c1)CCC2
5.3499999	OCHEM	1	0	[NH3+]c1ccc2c(c1)CCC2	Nc1ccc2c(c1)CCC2	mol2102	Nc1ccc2c(c1)CCC2
5.30999994277954	QSARToolbox	1	0	[NH3+]c1ccc2c(c1)CCC2	Nc1ccc2c(c1)CCC2	mol2102	Nc1ccc2c(c1)CCC2
5.34999990463257	QSARToolbox	1	0	[NH3+]c1ccc2c(c1)CCC2	Nc1ccc2c(c1)CCC2	mol2102	Nc1ccc2c(c1)CCC2