pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57	Datawarrior	0	-1	COc1ccccc1/C=C/C(=O)O	COc1ccccc1/C=C/C(=O)[O-]	mol1298	COc1ccccc1/C=C/C(=O)O
4.46	OCHEM	0	-1	COc1ccccc1/C=C/C(=O)O	COc1ccccc1/C=C/C(=O)[O-]	mol1298	COc1ccccc1/C=C/C(=O)O
4.46000003814697	QSARToolbox	0	-1	COc1ccccc1/C=C/C(=O)O	COc1ccccc1/C=C/C(=O)[O-]	mol1298	COc1ccccc1/C=C/C(=O)O
4.67999982833862	QSARToolbox	0	-1	COc1ccccc1/C=C/C(=O)O	COc1ccccc1/C=C/C(=O)[O-]	mol1298	COc1ccccc1/C=C/C(=O)O