pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.1	AttenGpKa training set	1	0	CC(=O)NC(=[OH+])C(F)(F)F,CC(=[OH+])NC(=O)C(F)(F)F	CC(=O)NC(=O)C(F)(F)F	mol27199	CC(=O)NC(=O)C(F)(F)F