pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	Novartis	0	-1	C[C@@H](C(=O)O)c1ccc2c(c1)C(=O)c1ccccc1CS2	C[C@@H](C(=O)[O-])c1ccc2c(c1)C(=O)c1ccccc1CS2	mol2783	CC(C(=O)O)c1ccc2c(c1)C(=O)c1ccccc1CS2