pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88	IUPAC digitized pKa	0	-1	O=C(O)CCCCc1ccccc1	O=C([O-])CCCCc1ccccc1	mol42	O=C(O)CCCCc1ccccc1
4.56	OCHEM	0	-1	O=C(O)CCCCc1ccccc1	O=C([O-])CCCCc1ccccc1	mol42	O=C(O)CCCCc1ccccc1
4.8800001	OCHEM	0	-1	O=C(O)CCCCc1ccccc1	O=C([O-])CCCCc1ccccc1	mol42	O=C(O)CCCCc1ccccc1
4.88000011444092	QSARToolbox	0	-1	O=C(O)CCCCc1ccccc1	O=C([O-])CCCCc1ccccc1	mol42	O=C(O)CCCCc1ccccc1