pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.16	Datawarrior	1	0	CCCCN(C)[NH+](C)CCCC	CCCCN(C)N(C)CCCC	mol12868	CCCCN(C)N(C)CCCC
7.1599998	OCHEM	1	0	CCCCN(C)[NH+](C)CCCC	CCCCN(C)N(C)CCCC	mol12868	CCCCN(C)N(C)CCCC
7.15999984741211	QSARToolbox	1	0	CCCCN(C)[NH+](C)CCCC	CCCCN(C)N(C)CCCC	mol12868	CCCCN(C)N(C)CCCC