pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.32	Datawarrior	2	1	CC[NH2+]CC#CC[NH2+]CC	CCNCC#CC[NH2+]CC	mol13108	CCNCC#CCNCC
8.3199997	OCHEM	2	1	CC[NH2+]CC#CC[NH2+]CC	CCNCC#CC[NH2+]CC	mol13108	CCNCC#CCNCC
8.31999969482422	QSARToolbox	2	1	CC[NH2+]CC#CC[NH2+]CC	CCNCC#CC[NH2+]CC	mol13108	CCNCC#CCNCC