pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.16	Datawarrior	1	0	[NH3+]CCCCc1cccnc1	NCCCCc1cccnc1	mol14142	NCCCCc1cccnc1
5.52	Datawarrior	2	1	[NH3+]CCCCc1ccc[nH+]c1	[NH3+]CCCCc1cccnc1	mol14142	NCCCCc1cccnc1
5.51999998092651	QSARToolbox	2	1	[NH3+]CCCCc1ccc[nH+]c1	[NH3+]CCCCc1cccnc1	mol14142	NCCCCc1cccnc1