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(C2CCCCC2)cc1)C1=C(O)C[C@H](C2CCCCC2)NC1=O	O=C(Nc1ccc(C2CCCCC2)cc1)C1=C([O-])C[C@H](C2CCCCC2)NC1=O	mol17769	O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O