pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.13	Datawarrior	0	-1	CC(C)CCC1=C(O)C(=O)c2ccccc2C1=O	CC(C)CCC1=C([O-])C(=O)c2ccccc2C1=O	mol14900	CC(C)CCC1=C(O)C(=O)c2ccccc2C1=O
5.1300001	OCHEM	0	-1	CC(C)CCC1=C(O)C(=O)c2ccccc2C1=O	CC(C)CCC1=C([O-])C(=O)c2ccccc2C1=O	mol14900	CC(C)CCC1=C(O)C(=O)c2ccccc2C1=O