pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.2	Datawarrior	1	0	CCC(C)(C)[NH2+]C1CCCCC1	CCC(C)(C)NC1CCCCC1	mol12638	CCC(C)(C)NC1CCCCC1
11.1999998092651	QSARToolbox	1	0	CCC(C)(C)[NH2+]C1CCCCC1	CCC(C)(C)NC1CCCCC1	mol12638	CCC(C)(C)NC1CCCCC1