pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.57	Datawarrior	1	0	CC1=[NH+]CCCC1	CC1=NCCCC1	mol16035	CC1=NCCCC1
9.5699997	OCHEM	1	0	CC1=[NH+]CCCC1	CC1=NCCCC1	mol16035	CC1=NCCCC1
9.56999969482422	QSARToolbox	1	0	CC1=[NH+]CCCC1	CC1=NCCCC1	mol16035	CC1=NCCCC1