pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17000007629395	QSARToolbox	0	-1	O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1	O=C(O)CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1,O=C([O-])CCCC(C(=O)O)(c1ccccc1)c1ccccc1	mol33049	O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1
4.47	OCHEM	-1	-2	O=C(O)CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1,O=C([O-])CCCC(C(=O)O)(c1ccccc1)c1ccccc1	O=C([O-])CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33049	O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1
5.40000009536743	QSARToolbox	-1	-2	O=C(O)CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1,O=C([O-])CCCC(C(=O)O)(c1ccccc1)c1ccccc1	O=C([O-])CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1	mol33049	O=C(O)CCCC(C(=O)O)(c1ccccc1)c1ccccc1