pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.47	IUPAC digitized pKa	1	0	C1CCN(CC[NH+]2CCCCC2)CC1	C1CCN(CCN2CCCCC2)CC1	mol3588	C1CCN(CCN2CCCCC2)CC1
9.43	Datawarrior	1	0	C1CCN(CC[NH+]2CCCCC2)CC1	C1CCN(CCN2CCCCC2)CC1	mol3588	C1CCN(CCN2CCCCC2)CC1
9.4300003	OCHEM	1	0	C1CCN(CC[NH+]2CCCCC2)CC1	C1CCN(CCN2CCCCC2)CC1	mol3588	C1CCN(CCN2CCCCC2)CC1
9.17	OCHEM	1	0	C1CCN(CC[NH+]2CCCCC2)CC1	C1CCN(CCN2CCCCC2)CC1	mol3588	C1CCN(CCN2CCCCC2)CC1
9.47000026702881	QSARToolbox	1	0	C1CCN(CC[NH+]2CCCCC2)CC1	C1CCN(CCN2CCCCC2)CC1	mol3588	C1CCN(CCN2CCCCC2)CC1
6.25	IUPAC digitized pKa	2	1	C1CC[NH+](CC[NH+]2CCCCC2)CC1	C1CCN(CC[NH+]2CCCCC2)CC1	mol3588	C1CCN(CCN2CCCCC2)CC1
6.12	Datawarrior	2	1	C1CC[NH+](CC[NH+]2CCCCC2)CC1	C1CCN(CC[NH+]2CCCCC2)CC1	mol3588	C1CCN(CCN2CCCCC2)CC1
6.55	OCHEM	2	1	C1CC[NH+](CC[NH+]2CCCCC2)CC1	C1CCN(CC[NH+]2CCCCC2)CC1	mol3588	C1CCN(CCN2CCCCC2)CC1