pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.76	Datawarrior	0	-1	CC(C)(O)[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1	CC(C)(O)[C@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1	mol14725	CC(C)(O)C(C(=O)O)c1ccc(C2CCCCC2)cc1
3.75999999046326	QSARToolbox	0	-1	CC(C)(O)[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1	CC(C)(O)[C@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1	mol14725	CC(C)(O)C(C(=O)O)c1ccc(C2CCCCC2)cc1