pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.97	Datawarrior	0	-1	On1nnc2ccc(Br)cc21	[O-]n1nnc2ccc(Br)cc21	mol14040	On1nnc2ccc(Br)cc21
3.97000002861023	QSARToolbox	0	-1	On1nnc2ccc(Br)cc21	[O-]n1nnc2ccc(Br)cc21	mol14040	On1nnc2ccc(Br)cc21