pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.92	Datawarrior	1	0	COCCC[NH3+]	COCCCN	mol15898	COCCCN
9.9200001	OCHEM	1	0	COCCC[NH3+]	COCCCN	mol15898	COCCCN
9.92000007629395	QSARToolbox	1	0	COCCC[NH3+]	COCCCN	mol15898	COCCCN
9.82999992370606	QSARToolbox	1	0	COCCC[NH3+]	COCCCN	mol15898	COCCCN