pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.18	Datawarrior	0	-1	O[C@@](CBr)(Oc1ccccc1)c1ccccc1	[O-][C@@](CBr)(Oc1ccccc1)c1ccccc1	mol15136	OC(CBr)(Oc1ccccc1)c1ccccc1
11.1999998092651	QSARToolbox	0	-1	O[C@@](CBr)(Oc1ccccc1)c1ccccc1	[O-][C@@](CBr)(Oc1ccccc1)c1ccccc1	mol15136	OC(CBr)(Oc1ccccc1)c1ccccc1
11.1800003051758	QSARToolbox	0	-1	O[C@@](CBr)(Oc1ccccc1)c1ccccc1	[O-][C@@](CBr)(Oc1ccccc1)c1ccccc1	mol15136	OC(CBr)(Oc1ccccc1)c1ccccc1