pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	0	-1	O=C(O)CCCOC(=O)CCCBr	O=C([O-])CCCOC(=O)CCCBr	mol13682	O=C(O)CCCOC(=O)CCCBr
4.5999999	OCHEM	0	-1	O=C(O)CCCOC(=O)CCCBr	O=C([O-])CCCOC(=O)CCCBr	mol13682	O=C(O)CCCOC(=O)CCCBr
4.59999990463257	QSARToolbox	0	-1	O=C(O)CCCOC(=O)CCCBr	O=C([O-])CCCOC(=O)CCCBr	mol13682	O=C(O)CCCOC(=O)CCCBr