pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.12	IUPAC digitized pKa	0	-1	CSc1ncnc(O)c1C	CSc1ncnc([O-])c1C	mol2194	CSc1ncnc(O)c1C
9.17	OCHEM	0	-1	CSc1ncnc(O)c1C	CSc1ncnc([O-])c1C	mol2194	CSc1ncnc(O)c1C
9.11999988555908	QSARToolbox	0	-1	CSc1ncnc(O)c1C	CSc1ncnc([O-])c1C	mol2194	CSc1ncnc(O)c1C
-0.300000011920929	QSARToolbox	1	0	CSc1nc[nH+]c(O)c1C,CSc1[nH+]cnc(O)c1C	CSc1ncnc(O)c1C	mol2194	CSc1ncnc(O)c1C