pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.2	Datawarrior	1	0	CCCCC[NH2+]c1ccccc1	CCCCCNc1ccccc1	mol12634	CCCCCNc1ccccc1
5.16	OCHEM	1	0	CCCCC[NH2+]c1ccccc1	CCCCCNc1ccccc1	mol12634	CCCCCNc1ccccc1
5.1999998	OCHEM	1	0	CCCCC[NH2+]c1ccccc1	CCCCCNc1ccccc1	mol12634	CCCCCNc1ccccc1
4.92000007629395	QSARToolbox	1	0	CCCCC[NH2+]c1ccccc1	CCCCCNc1ccccc1	mol12634	CCCCCNc1ccccc1