pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.0	Baltruschat ChEMBL	1	0	O=C(Nc1ccc([NH+]2CCCCC2)cc1)C1=C(O)[C@@H](CCc2ccccc2)NC1=O	O=C(Nc1ccc([NH+]2CCCCC2)cc1)C1=C([O-])[C@@H](CCc2ccccc2)NC1=O,O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)[C@@H](CCc2ccccc2)NC1=O	mol17777	O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)C(CCc2ccccc2)NC1=O