pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.51	IUPAC digitized pKa	1	0	[NH3+]CCNCCc1ccccn1,NCC[NH2+]CCc1ccccn1,NCCNCCc1cccc[nH+]1	NCCNCCc1ccccn1	mol6362	NCCNCCc1ccccn1
6.59	IUPAC digitized pKa	2	1	[NH3+]CC[NH2+]CCc1ccccn1,[NH3+]CCNCCc1cccc[nH+]1	[NH3+]CCNCCc1ccccn1,NCC[NH2+]CCc1ccccn1,NCCNCCc1cccc[nH+]1	mol6362	NCCNCCc1ccccn1
3.5	IUPAC digitized pKa	3	2	[NH3+]CC[NH2+]CCc1cccc[nH+]1	[NH3+]CC[NH2+]CCc1ccccn1,[NH3+]CCNCCc1cccc[nH+]1	mol6362	NCCNCCc1ccccn1