pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.05	AttenGpKa training set	-1	-2	Cc1cccc(C(=O)NC[O-])c1,Cc1cccc(C(=O)[N-]CO)c1	Cc1cccc(C(=O)[N-]C[O-])c1	mol27210	Cc1cccc(C(=O)NCO)c1