pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	Datawarrior	0	-1	CSc1ccccc1C(=O)O	CSc1ccccc1C(=O)[O-]	mol14103	CSc1ccccc1C(=O)O
3.8900001	OCHEM	0	-1	CSc1ccccc1C(=O)O	CSc1ccccc1C(=O)[O-]	mol14103	CSc1ccccc1C(=O)O
3.78	AttenGpKa training set	0	-1	CSc1ccccc1C(=O)O	CSc1ccccc1C(=O)[O-]	mol14103	CSc1ccccc1C(=O)O