pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.05	Datawarrior	1	0	[NH3+]CCCc1cccnc1	NCCCc1cccnc1	mol12961	NCCCc1cccnc1
5.19	Datawarrior	2	1	[NH3+]CCCc1ccc[nH+]c1	[NH3+]CCCc1cccnc1	mol12961	NCCCc1cccnc1
5.19000005722046	QSARToolbox	2	1	[NH3+]CCCc1ccc[nH+]c1	[NH3+]CCCc1cccnc1	mol12961	NCCCc1cccnc1