pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.57	Datawarrior	0	-1	O=C(O)[C@H]1CC1(Br)Br	O=C([O-])[C@H]1CC1(Br)Br	mol12338	O=C(O)C1CC1(Br)Br
3.5699999	OCHEM	0	-1	O=C(O)[C@H]1CC1(Br)Br	O=C([O-])[C@H]1CC1(Br)Br	mol12338	O=C(O)C1CC1(Br)Br
3.5699999332428	QSARToolbox	0	-1	O=C(O)[C@H]1CC1(Br)Br	O=C([O-])[C@H]1CC1(Br)Br	mol12338	O=C(O)C1CC1(Br)Br