pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	Datawarrior	0	-1	O=C(O)c1cc2ccccc2s1	O=C([O-])c1cc2ccccc2s1	mol12725	O=C(O)c1cc2ccccc2s1
3.0999999	OCHEM	0	-1	O=C(O)c1cc2ccccc2s1	O=C([O-])c1cc2ccccc2s1	mol12725	O=C(O)c1cc2ccccc2s1
3.09999990463257	QSARToolbox	0	-1	O=C(O)c1cc2ccccc2s1	O=C([O-])c1cc2ccccc2s1	mol12725	O=C(O)c1cc2ccccc2s1