pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.42	IUPAC digitized pKa	0	-1	CC(C)c1c(O)ncnc1O	CC(C)c1c([O-])ncnc1O	mol7378	CC(C)c1c(O)ncnc1O
6.42000007629395	QSARToolbox	0	-1	CC(C)c1c(O)ncnc1O	CC(C)c1c([O-])ncnc1O	mol7378	CC(C)c1c(O)ncnc1O
-0.59	IUPAC digitized pKa	1	0	CC(C)c1c(O)nc[nH+]c1O	CC(C)c1c(O)ncnc1O	mol7378	CC(C)c1c(O)ncnc1O
-0.589999973773956	QSARToolbox	1	0	CC(C)c1c(O)nc[nH+]c1O	CC(C)c1c(O)ncnc1O	mol7378	CC(C)c1c(O)ncnc1O