pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.28	Datawarrior	1	0	CCCCCCCC[NH+]1CCCCC1	CCCCCCCCN1CCCCC1	mol13248	CCCCCCCCN1CCCCC1
8.2799997	OCHEM	1	0	CCCCCCCC[NH+]1CCCCC1	CCCCCCCCN1CCCCC1	mol13248	CCCCCCCCN1CCCCC1
9.11999988555908	QSARToolbox	1	0	CCCCCCCC[NH+]1CCCCC1	CCCCCCCCN1CCCCC1	mol13248	CCCCCCCCN1CCCCC1
8.27999973297119	QSARToolbox	1	0	CCCCCCCC[NH+]1CCCCC1	CCCCCCCCN1CCCCC1	mol13248	CCCCCCCCN1CCCCC1