pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.33	IUPAC digitized pKa	0	-1	O=C(O)CSc1ccc(Cl)cc1	O=C([O-])CSc1ccc(Cl)cc1	mol10741	O=C(O)CSc1ccc(Cl)cc1
3.53	IUPAC digitized pKa	0	-1	O=C(O)CSc1ccc(Cl)cc1	O=C([O-])CSc1ccc(Cl)cc1	mol10741	O=C(O)CSc1ccc(Cl)cc1
3.52999997138977	QSARToolbox	0	-1	O=C(O)CSc1ccc(Cl)cc1	O=C([O-])CSc1ccc(Cl)cc1	mol10741	O=C(O)CSc1ccc(Cl)cc1
5.42000007629395	QSARToolbox	0	-1	O=C(O)CSc1ccc(Cl)cc1	O=C([O-])CSc1ccc(Cl)cc1	mol10741	O=C(O)CSc1ccc(Cl)cc1
3.32999992370605	QSARToolbox	0	-1	O=C(O)CSc1ccc(Cl)cc1	O=C([O-])CSc1ccc(Cl)cc1	mol10741	O=C(O)CSc1ccc(Cl)cc1
3.61999988555908	QSARToolbox	0	-1	O=C(O)CSc1ccc(Cl)cc1	O=C([O-])CSc1ccc(Cl)cc1	mol10741	O=C(O)CSc1ccc(Cl)cc1
3.492333333	AttenGpKa training set	0	-1	O=C(O)CSc1ccc(Cl)cc1	O=C([O-])CSc1ccc(Cl)cc1	mol10741	O=C(O)CSc1ccc(Cl)cc1