pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57000017166138	QSARToolbox	0	-1	O=C(O)CCC=C(Cl)Cl	O=C([O-])CCC=C(Cl)Cl	mol22365	O=C(O)CCC=C(Cl)Cl
4.57	AttenGpKa training set	0	-1	O=C(O)CCC=C(Cl)Cl	O=C([O-])CCC=C(Cl)Cl	mol22365	O=C(O)CCC=C(Cl)Cl