pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	IUPAC digitized pKa	0	-1	O=C(O)Cc1cccs1	O=C([O-])Cc1cccs1	mol9686	O=C(O)Cc1cccs1
3.85	Datawarrior	0	-1	O=C(O)Cc1cccs1	O=C([O-])Cc1cccs1	mol9686	O=C(O)Cc1cccs1
3.8499999	OCHEM	0	-1	O=C(O)Cc1cccs1	O=C([O-])Cc1cccs1	mol9686	O=C(O)Cc1cccs1
3.8199999332428	QSARToolbox	0	-1	O=C(O)Cc1cccs1	O=C([O-])Cc1cccs1	mol9686	O=C(O)Cc1cccs1
3.89000010490417	QSARToolbox	0	-1	O=C(O)Cc1cccs1	O=C([O-])Cc1cccs1	mol9686	O=C(O)Cc1cccs1