pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.97	IUPAC digitized pKa	0	-1	Cc1c(O)ncnc1S	Cc1c(O)ncnc1[S-],Cc1c([O-])ncnc1S	mol7468	Cc1c(O)ncnc1S
4.96999979019165	QSARToolbox	0	-1	Cc1c(O)ncnc1S	Cc1c(O)ncnc1[S-],Cc1c([O-])ncnc1S	mol7468	Cc1c(O)ncnc1S
-1.16	IUPAC digitized pKa	1	0	Cc1c(S)nc[nH+]c1O,Cc1c(O)nc[nH+]c1S	Cc1c(O)ncnc1S	mol7468	Cc1c(O)ncnc1S
-1.1599999666214	QSARToolbox	1	0	Cc1c(S)nc[nH+]c1O,Cc1c(O)nc[nH+]c1S	Cc1c(O)ncnc1S	mol7468	Cc1c(O)ncnc1S
11.74	IUPAC digitized pKa	-1	-2	Cc1c(O)ncnc1[S-],Cc1c([O-])ncnc1S	Cc1c([O-])ncnc1[S-]	mol7468	Cc1c(O)ncnc1S
11.75	OCHEM	-1	-2	Cc1c(O)ncnc1[S-],Cc1c([O-])ncnc1S	Cc1c([O-])ncnc1[S-]	mol7468	Cc1c(O)ncnc1S
11.7399997711182	QSARToolbox	-1	-2	Cc1c(O)ncnc1[S-],Cc1c([O-])ncnc1S	Cc1c([O-])ncnc1[S-]	mol7468	Cc1c(O)ncnc1S