pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.65	Datawarrior	0	-1	COc1cc(C(C)=O)ccc1O	COc1cc(C(C)=O)ccc1[O-]	mol12541	COc1cc(C(C)=O)ccc1O
7.6500001	OCHEM	0	-1	COc1cc(C(C)=O)ccc1O	COc1cc(C(C)=O)ccc1[O-]	mol12541	COc1cc(C(C)=O)ccc1O
8.38000011444092	QSARToolbox	0	-1	COc1cc(C(C)=O)ccc1O	COc1cc(C(C)=O)ccc1[O-]	mol12541	COc1cc(C(C)=O)ccc1O
7.80999994277954	QSARToolbox	0	-1	COc1cc(C(C)=O)ccc1O	COc1cc(C(C)=O)ccc1[O-]	mol12541	COc1cc(C(C)=O)ccc1O
8.73999977111816	QSARToolbox	0	-1	COc1cc(C(C)=O)ccc1O	COc1cc(C(C)=O)ccc1[O-]	mol12541	COc1cc(C(C)=O)ccc1O
8.07999992370606	QSARToolbox	0	-1	COc1cc(C(C)=O)ccc1O	COc1cc(C(C)=O)ccc1[O-]	mol12541	COc1cc(C(C)=O)ccc1O