pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.03	Datawarrior	0	-1	Cc1cc(C(=O)O)ccc1Br	Cc1cc(C(=O)[O-])ccc1Br	mol10540	Cc1cc(C(=O)O)ccc1Br
4.0300002	OCHEM	0	-1	Cc1cc(C(=O)O)ccc1Br	Cc1cc(C(=O)[O-])ccc1Br	mol10540	Cc1cc(C(=O)O)ccc1Br
4.03000020980835	QSARToolbox	0	-1	Cc1cc(C(=O)O)ccc1Br	Cc1cc(C(=O)[O-])ccc1Br	mol10540	Cc1cc(C(=O)O)ccc1Br
4.30000019073486	QSARToolbox	0	-1	Cc1cc(C(=O)O)ccc1Br	Cc1cc(C(=O)[O-])ccc1Br	mol10540	Cc1cc(C(=O)O)ccc1Br