pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.44	AttenGpKa training set	0	-1	O=C1NC(=O)c2cc(Br)ccc21	O=C1[N-]C(=O)c2cc(Br)ccc21	mol27269	O=C1NC(=O)c2cc(Br)ccc21