pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.95	IUPAC digitized pKa	1	0	C1CCN(CCC[NH+]2CCCCC2)CC1	C1CCN(CCCN2CCCCC2)CC1	mol3589	C1CCN(CCCN2CCCCC2)CC1
10.08	Datawarrior	1	0	C1CCN(CCC[NH+]2CCCCC2)CC1	C1CCN(CCCN2CCCCC2)CC1	mol3589	C1CCN(CCCN2CCCCC2)CC1
7.9	IUPAC digitized pKa	2	1	C1CC[NH+](CCC[NH+]2CCCCC2)CC1	C1CCN(CCC[NH+]2CCCCC2)CC1	mol3589	C1CCN(CCCN2CCCCC2)CC1
7.97	Datawarrior	2	1	C1CC[NH+](CCC[NH+]2CCCCC2)CC1	C1CCN(CCC[NH+]2CCCCC2)CC1	mol3589	C1CCN(CCCN2CCCCC2)CC1