pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.32999992370606	QSARToolbox	0	-1	O=C(O)CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1	O=C([O-])CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1,O=C(O)CCCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33053	O=C(O)CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1
4.63	OCHEM	-1	-2	O=C([O-])CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1,O=C(O)CCCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	O=C([O-])CCCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33053	O=C(O)CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1
5.38000011444092	QSARToolbox	-1	-2	O=C([O-])CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1,O=C(O)CCCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	O=C([O-])CCCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33053	O=C(O)CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1