pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.78	IUPAC digitized pKa	1	0	[NH3+]CC[C@H]1CCCCN1,NCC[C@H]1CCCC[NH2+]1	NCC[C@H]1CCCCN1	mol6330	NCCC1CCCCN1
10.37	IUPAC digitized pKa	1	0	[NH3+]CC[C@H]1CCCCN1,NCC[C@H]1CCCC[NH2+]1	NCC[C@H]1CCCCN1	mol6330	NCCC1CCCCN1
10.1	IUPAC digitized pKa	1	0	[NH3+]CC[C@H]1CCCCN1,NCC[C@H]1CCCC[NH2+]1	NCC[C@H]1CCCCN1	mol6330	NCCC1CCCCN1
9.87	IUPAC digitized pKa	1	0	[NH3+]CC[C@H]1CCCCN1,NCC[C@H]1CCCC[NH2+]1	NCC[C@H]1CCCCN1	mol6330	NCCC1CCCCN1
8.79	IUPAC digitized pKa	2	1	[NH3+]CC[C@H]1CCCC[NH2+]1	[NH3+]CC[C@H]1CCCCN1,NCC[C@H]1CCCC[NH2+]1	mol6330	NCCC1CCCCN1
8.33	IUPAC digitized pKa	2	1	[NH3+]CC[C@H]1CCCC[NH2+]1	[NH3+]CC[C@H]1CCCCN1,NCC[C@H]1CCCC[NH2+]1	mol6330	NCCC1CCCCN1
8.07	IUPAC digitized pKa	2	1	[NH3+]CC[C@H]1CCCC[NH2+]1	[NH3+]CC[C@H]1CCCCN1,NCC[C@H]1CCCC[NH2+]1	mol6330	NCCC1CCCCN1
7.81	IUPAC digitized pKa	2	1	[NH3+]CC[C@H]1CCCC[NH2+]1	[NH3+]CC[C@H]1CCCCN1,NCC[C@H]1CCCC[NH2+]1	mol6330	NCCC1CCCCN1