pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.96	IUPAC digitized pKa	0	-1	Cn1cnc2c(S)ncnc21	Cn1cnc2c([S-])ncnc21	mol8316	Cn1cnc2c(S)ncnc21
7.8	IUPAC digitized pKa	0	-1	Cn1cnc2c(S)ncnc21	Cn1cnc2c([S-])ncnc21	mol8316	Cn1cnc2c(S)ncnc21
1.42	IUPAC digitized pKa	1	0	Cn1cnc2c(S)[nH+]cnc21,Cn1c[nH+]c2c(S)ncnc21,Cn1cnc2c(S)nc[nH+]c21	Cn1cnc2c(S)ncnc21	mol8316	Cn1cnc2c(S)ncnc21