pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.54	IUPAC digitized pKa	1	0	[NH3+]CCNCc1ccccn1,NCC[NH2+]Cc1ccccn1	NCCNCc1ccccn1	mol6364	NCCNCc1ccccn1
9.78	IUPAC digitized pKa	1	0	[NH3+]CCNCc1ccccn1,NCC[NH2+]Cc1ccccn1	NCCNCc1ccccn1	mol6364	NCCNCc1ccccn1
5.91	IUPAC digitized pKa	2	1	[NH3+]CC[NH2+]Cc1ccccn1	[NH3+]CCNCc1ccccn1,NCC[NH2+]Cc1ccccn1	mol6364	NCCNCc1ccccn1
5.74	IUPAC digitized pKa	2	1	[NH3+]CC[NH2+]Cc1ccccn1	[NH3+]CCNCc1ccccn1,NCC[NH2+]Cc1ccccn1	mol6364	NCCNCc1ccccn1
1.84	IUPAC digitized pKa	3	2	[NH3+]CC[NH2+]Cc1cccc[nH+]1	[NH3+]CC[NH2+]Cc1ccccn1	mol6364	NCCNCc1ccccn1
2.33	IUPAC digitized pKa	3	2	[NH3+]CC[NH2+]Cc1cccc[nH+]1	[NH3+]CC[NH2+]Cc1ccccn1	mol6364	NCCNCc1ccccn1