pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1	AttenGpKa training set	0	-1	CN1C(=O)c2ccccc2N(C)[C@@H]1O	CN1C(=O)c2ccccc2N(C)[C@@H]1[O-]	mol29565	CN1C(=O)c2ccccc2N(C)C1O