pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.44	Datawarrior	0	-1	O=C(S)c1ccccc1	O=C([S-])c1ccccc1	mol13563	O=C(S)c1ccccc1
2.4400001	OCHEM	0	-1	O=C(S)c1ccccc1	O=C([S-])c1ccccc1	mol13563	O=C(S)c1ccccc1
2.48	AttenGpKa training set	0	-1	O=C(S)c1ccccc1	O=C([S-])c1ccccc1	mol13563	O=C(S)c1ccccc1