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(C2CCCCC2)cc1)C1=C(O)[C@H](Cc2[nH]cc[nH+]2)NC1=O	O=C(Nc1ccc(C2CCCCC2)cc1)C1=C([O-])[C@H](Cc2[nH]cc[nH+]2)NC1=O	mol17780	O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C(Cc2ncc[nH]2)NC1=O