pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	Baltruschat ChEMBL	-1	-2	COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c([O-])c1	COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)[N-]C3=O)o2)c([O-])c1	mol17815	COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c(O)c1