pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.99	Datawarrior	0	-1	O=C(O)c1cncs1	O=C([O-])c1cncs1	mol12411	O=C(O)c1cncs1
2.98000001907349	QSARToolbox	0	-1	O=C(O)c1cncs1	O=C([O-])c1cncs1	mol12411	O=C(O)c1cncs1
3.1800000667572	QSARToolbox	0	-1	O=C(O)c1cncs1	O=C([O-])c1cncs1	mol12411	O=C(O)c1cncs1
2.8199999332428	QSARToolbox	0	-1	O=C(O)c1cncs1	O=C([O-])c1cncs1	mol12411	O=C(O)c1cncs1
2.993333333	AttenGpKa training set	0	-1	O=C(O)c1cncs1	O=C([O-])c1cncs1	mol12411	O=C(O)c1cncs1