pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42	IUPAC digitized pKa	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.55	IUPAC digitized pKa	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.59	IUPAC digitized pKa	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.66	IUPAC digitized pKa	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.581	IUPAC digitized pKa	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.677	IUPAC digitized pKa	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.52	IUPAC digitized pKa	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.6	IUPAC digitized pKa	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.38	Datawarrior	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.3800001	OCHEM	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.5855	OCHEM	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.67000007629395	QSARToolbox	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.6800000667572	QSARToolbox	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
2.92000007629395	QSARToolbox	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.42000007629395	QSARToolbox	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.57999992370605	QSARToolbox	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.60999989509583	QSARToolbox	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.5	QSARToolbox	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
3.69	AttenGpKa training set	0	-1	O=C(O)CS	O=C([O-])CS	mol1934	O=C(O)CS
10.48	IUPAC digitized pKa	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.35	IUPAC digitized pKa	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.07	IUPAC digitized pKa	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
9.95	IUPAC digitized pKa	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.55	IUPAC digitized pKa	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.2	IUPAC digitized pKa	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.22	IUPAC digitized pKa	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
9.74	IUPAC digitized pKa	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.16	Datawarrior	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.4	OCHEM	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.3	OCHEM	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.1999998092651	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.5500001907349	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.3999996185303	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
9.77999973297119	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.0799999237061	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.2299995422363	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
9.88000011444092	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
9.86999988555908	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
9.93000030517578	QSARToolbox	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS
10.46	AttenGpKa training set	-1	-2	O=C([O-])CS	O=C([O-])C[S-]	mol1934	O=C(O)CS