pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	OCHEM	0	-1	O=C(O)CCSCc1ccccc1	O=C([O-])CCSCc1ccccc1	mol1309	O=C(O)CCSCc1ccccc1
4.46000003814697	QSARToolbox	0	-1	O=C(O)CCSCc1ccccc1	O=C([O-])CCSCc1ccccc1	mol1309	O=C(O)CCSCc1ccccc1