pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	OCHEM	0	-1	COC(=O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1	COC(=O)CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33072	COC(=O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1
4.40000009536743	QSARToolbox	0	-1	COC(=O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1	COC(=O)CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33072	COC(=O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1