pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21	Datawarrior	0	-1	C[C@@H](I)C(=O)O	C[C@@H](I)C(=O)[O-]	mol15848	CC(I)C(=O)O
3.11	OCHEM	0	-1	C[C@@H](I)C(=O)O	C[C@@H](I)C(=O)[O-]	mol15848	CC(I)C(=O)O
3.21000003814697	QSARToolbox	0	-1	C[C@@H](I)C(=O)O	C[C@@H](I)C(=O)[O-]	mol15848	CC(I)C(=O)O
3.10999989509583	QSARToolbox	0	-1	C[C@@H](I)C(=O)O	C[C@@H](I)C(=O)[O-]	mol15848	CC(I)C(=O)O
3.16	AttenGpKa training set	0	-1	C[C@@H](I)C(=O)O	C[C@@H](I)C(=O)[O-]	mol15848	CC(I)C(=O)O