pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.08	Datawarrior	0	-1	Cc1cnc(C)c(O)c1C=O,Cc1c[nH+]c(C)c([O-])c1C=O	Cc1cnc(C)c([O-])c1C=O	mol14219	Cc1cnc(C)c(O)c1C=O
8.0799999	OCHEM	0	-1	Cc1cnc(C)c(O)c1C=O,Cc1c[nH+]c(C)c([O-])c1C=O	Cc1cnc(C)c([O-])c1C=O	mol14219	Cc1cnc(C)c(O)c1C=O
8.14000034332275	QSARToolbox	0	-1	Cc1cnc(C)c(O)c1C=O,Cc1c[nH+]c(C)c([O-])c1C=O	Cc1cnc(C)c([O-])c1C=O	mol14219	Cc1cnc(C)c(O)c1C=O
4.1	Datawarrior	1	0	Cc1c[nH+]c(C)c(O)c1C=O	Cc1cnc(C)c(O)c1C=O,Cc1c[nH+]c(C)c([O-])c1C=O	mol14219	Cc1cnc(C)c(O)c1C=O
4.0999999	OCHEM	1	0	Cc1c[nH+]c(C)c(O)c1C=O	Cc1cnc(C)c(O)c1C=O,Cc1c[nH+]c(C)c([O-])c1C=O	mol14219	Cc1cnc(C)c(O)c1C=O
4.17000007629395	QSARToolbox	1	0	Cc1c[nH+]c(C)c(O)c1C=O	Cc1cnc(C)c(O)c1C=O,Cc1c[nH+]c(C)c([O-])c1C=O	mol14219	Cc1cnc(C)c(O)c1C=O