pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.39999961853027	QSARToolbox	0	-1	COC(=O)CC(=O)c1ccccn1	COC(=O)[CH-]C(=O)c1ccccn1	mol26876	COC(=O)CC(=O)c1ccccn1
8.4	AttenGpKa training set	0	-1	COC(=O)CC(=O)c1ccccn1	COC(=O)[CH-]C(=O)c1ccccn1	mol26876	COC(=O)CC(=O)c1ccccn1