pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28000020980835	QSARToolbox	0	-1	O=C(O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1	O=C([O-])CCCCC(C(=O)O)(c1ccccc1)c1ccccc1,O=C(O)CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33051	O=C(O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1
4.58	OCHEM	-1	-2	O=C([O-])CCCCC(C(=O)O)(c1ccccc1)c1ccccc1,O=C(O)CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	O=C([O-])CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33051	O=C(O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1
5.3899998664856	QSARToolbox	-1	-2	O=C([O-])CCCCC(C(=O)O)(c1ccccc1)c1ccccc1,O=C(O)CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	O=C([O-])CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33051	O=C(O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1