pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	IUPAC digitized pKa	0	-1	O=c1cccccc1S	O=c1cccccc1[S-]	mol10104	O=c1cccccc1S
5.9000001	OCHEM	0	-1	O=c1cccccc1S	O=c1cccccc1[S-]	mol10104	O=c1cccccc1S
5.89	AttenGpKa training set	0	-1	O=c1cccccc1S	O=c1cccccc1[S-]	mol10104	O=c1cccccc1S