pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.59	Datawarrior	0	-1	CCc1nnn[nH]1	CCc1nnn[n-]1	mol16013	CCc1nnn[nH]1
5.5900002	OCHEM	0	-1	CCc1nnn[nH]1	CCc1nnn[n-]1	mol16013	CCc1nnn[nH]1
5.59000015258789	QSARToolbox	0	-1	CCc1nnn[nH]1	CCc1nnn[n-]1	mol16013	CCc1nnn[nH]1
