pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.21	IUPAC digitized pKa	1	0	[NH3+]CCCNCCc1ccccn1,NCCC[NH2+]CCc1ccccn1	NCCCNCCc1ccccn1	mol6381	NCCCNCCc1ccccn1
8.24	IUPAC digitized pKa	2	1	[NH3+]CCC[NH2+]CCc1ccccn1	[NH3+]CCCNCCc1ccccn1,NCCC[NH2+]CCc1ccccn1	mol6381	NCCCNCCc1ccccn1
3.7	IUPAC digitized pKa	3	2	[NH3+]CCC[NH2+]CCc1cccc[nH+]1	[NH3+]CCC[NH2+]CCc1ccccn1	mol6381	NCCCNCCc1ccccn1