pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.775	IUPAC digitized pKa	0	-1	COc1ccc(S)cc1	COc1ccc([S-])cc1	mol469	COc1ccc(S)cc1
6.76	Datawarrior	0	-1	COc1ccc(S)cc1	COc1ccc([S-])cc1	mol469	COc1ccc(S)cc1
6.7600002	OCHEM	0	-1	COc1ccc(S)cc1	COc1ccc([S-])cc1	mol469	COc1ccc(S)cc1
6.77	OCHEM	0	-1	COc1ccc(S)cc1	COc1ccc([S-])cc1	mol469	COc1ccc(S)cc1
6.8	OCHEM	0	-1	COc1ccc(S)cc1	COc1ccc([S-])cc1	mol469	COc1ccc(S)cc1
6.78	AttenGpKa training set	0	-1	COc1ccc(S)cc1	COc1ccc([S-])cc1	mol469	COc1ccc(S)cc1