pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.15	IUPAC digitized pKa	1	0	C#CC[NH3+]	C#CCN	mol905	C#CCN
8.19	Datawarrior	1	0	C#CC[NH3+]	C#CCN	mol905	C#CCN
8.1899996	OCHEM	1	0	C#CC[NH3+]	C#CCN	mol905	C#CCN
7.86999988555908	QSARToolbox	1	0	C#CC[NH3+]	C#CCN	mol905	C#CCN
8.26000022888184	QSARToolbox	1	0	C#CC[NH3+]	C#CCN	mol905	C#CCN