pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	Baltruschat ChEMBL	0	-1	O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C1=C([O-])C[C@@H](Cc2ccccc2)NC1=O,O=C(Nc1ccc(-n2ccnc2)cc1)C1=C(O)C[C@@H](Cc2ccccc2)NC1=O	O=C(Nc1ccc(-n2ccnc2)cc1)C1=C([O-])C[C@@H](Cc2ccccc2)NC1=O	mol17763	O=C(Nc1ccc(-n2ccnc2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O