pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.403	IUPAC digitized pKa	1	0	C[NH+](C)CCN1CCCCC1,CN(C)CC[NH+]1CCCCC1	CN(C)CCN1CCCCC1	mol3574	CN(C)CCN1CCCCC1
9.43000030517578	QSARToolbox	1	0	C[NH+](C)CCN1CCCCC1,CN(C)CC[NH+]1CCCCC1	CN(C)CCN1CCCCC1	mol3574	CN(C)CCN1CCCCC1
5.975	IUPAC digitized pKa	2	1	C[NH+](C)CC[NH+]1CCCCC1	C[NH+](C)CCN1CCCCC1,CN(C)CC[NH+]1CCCCC1	mol3574	CN(C)CCN1CCCCC1
5.96999979019165	QSARToolbox	2	1	C[NH+](C)CC[NH+]1CCCCC1	C[NH+](C)CCN1CCCCC1,CN(C)CC[NH+]1CCCCC1	mol3574	CN(C)CCN1CCCCC1
5.97499990463257	QSARToolbox	2	1	C[NH+](C)CC[NH+]1CCCCC1	C[NH+](C)CCN1CCCCC1,CN(C)CC[NH+]1CCCCC1	mol3574	CN(C)CCN1CCCCC1