pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	Baltruschat ChEMBL	0	-1	CCCCCCOc1ccc(NC(=O)C2=C(O)[C@@H](Cc3ccccc3)NC2=O)cc1	CCCCCCOc1ccc(NC(=O)C2=C([O-])[C@@H](Cc3ccccc3)NC2=O)cc1	mol17773	CCCCCCOc1ccc(NC(=O)C2=C(O)C(Cc3ccccc3)NC2=O)cc1