pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.86	IUPAC digitized pKa	1	0	[NH3+]CCNCc1ccoc1,NCC[NH2+]Cc1ccoc1	NCCNCc1ccoc1	mol3562	NCCNCc1ccoc1
9.85999965667725	QSARToolbox	1	0	[NH3+]CCNCc1ccoc1,NCC[NH2+]Cc1ccoc1	NCCNCc1ccoc1	mol3562	NCCNCc1ccoc1
6.7	IUPAC digitized pKa	2	1	[NH3+]CC[NH2+]Cc1ccoc1	[NH3+]CCNCc1ccoc1,NCC[NH2+]Cc1ccoc1	mol3562	NCCNCc1ccoc1
6.69999980926514	QSARToolbox	2	1	[NH3+]CC[NH2+]Cc1ccoc1	[NH3+]CCNCc1ccoc1,NCC[NH2+]Cc1ccoc1	mol3562	NCCNCc1ccoc1