pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	IUPAC digitized pKa	0	-1	COc1ncnc(S)c1C	COc1ncnc([S-])c1C	mol7484	COc1ncnc(S)c1C
7.90000009536743	QSARToolbox	0	-1	COc1ncnc(S)c1C	COc1ncnc([S-])c1C	mol7484	COc1ncnc(S)c1C
-1.5900000333786	QSARToolbox	1	0	COc1nc[nH+]c(S)c1C,COc1[nH+]cnc(S)c1C	COc1ncnc(S)c1C	mol7484	COc1ncnc(S)c1C