pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.78	IUPAC digitized pKa	1	0	NCC[NH2+]CCc1cccnc1,[NH3+]CCNCCc1cccnc1	NCCNCCc1cccnc1	mol6363	NCCNCCc1cccnc1
6.76	IUPAC digitized pKa	2	1	[NH3+]CCNCCc1ccc[nH+]c1,[NH3+]CC[NH2+]CCc1cccnc1	NCC[NH2+]CCc1cccnc1,[NH3+]CCNCCc1cccnc1	mol6363	NCCNCCc1cccnc1
4.61	IUPAC digitized pKa	3	2	[NH3+]CC[NH2+]CCc1ccc[nH+]c1	[NH3+]CCNCCc1ccc[nH+]c1,[NH3+]CC[NH2+]CCc1cccnc1	mol6363	NCCNCCc1cccnc1