pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.36	Datawarrior	0	-1	Cc1cccc(C)c1OCC(=O)O	Cc1cccc(C)c1OCC(=O)[O-]	mol13850	Cc1cccc(C)c1OCC(=O)O
3.3599999	OCHEM	0	-1	Cc1cccc(C)c1OCC(=O)O	Cc1cccc(C)c1OCC(=O)[O-]	mol13850	Cc1cccc(C)c1OCC(=O)O
3.35	OCHEM	0	-1	Cc1cccc(C)c1OCC(=O)O	Cc1cccc(C)c1OCC(=O)[O-]	mol13850	Cc1cccc(C)c1OCC(=O)O
3.34999990463257	QSARToolbox	0	-1	Cc1cccc(C)c1OCC(=O)O	Cc1cccc(C)c1OCC(=O)[O-]	mol13850	Cc1cccc(C)c1OCC(=O)O
3.35999989509583	QSARToolbox	0	-1	Cc1cccc(C)c1OCC(=O)O	Cc1cccc(C)c1OCC(=O)[O-]	mol13850	Cc1cccc(C)c1OCC(=O)O