pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79	Datawarrior	0	-1	CCc1ccccc1C(=O)O	CCc1ccccc1C(=O)[O-]	mol5609	CCc1ccccc1C(=O)O
3.29999995231628	QSARToolbox	0	-1	CCc1ccccc1C(=O)O	CCc1ccccc1C(=O)[O-]	mol5609	CCc1ccccc1C(=O)O
3.76999998092651	QSARToolbox	0	-1	CCc1ccccc1C(=O)O	CCc1ccccc1C(=O)[O-]	mol5609	CCc1ccccc1C(=O)O
3.78999996185303	QSARToolbox	0	-1	CCc1ccccc1C(=O)O	CCc1ccccc1C(=O)[O-]	mol5609	CCc1ccccc1C(=O)O
3.77	AttenGpKa training set	0	-1	CCc1ccccc1C(=O)O	CCc1ccccc1C(=O)[O-]	mol5609	CCc1ccccc1C(=O)O