pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.29	IUPAC digitized pKa	0	-1	CCCCc1c(O)ncnc1SC	CCCCc1c([O-])ncnc1SC	mol7207	CCCCc1c(O)ncnc1SC
9.28999996185303	QSARToolbox	0	-1	CCCCc1c(O)ncnc1SC	CCCCc1c([O-])ncnc1SC	mol7207	CCCCc1c(O)ncnc1SC
0.400000005960465	QSARToolbox	1	0	CCCCc1c(O)nc[nH+]c1SC,CCCCc1c(SC)nc[nH+]c1O	CCCCc1c(O)ncnc1SC	mol7207	CCCCc1c(O)ncnc1SC