pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	AttenGpKa training set	0	-1	O=C1NC(=O)c2c(Br)cccc21	O=C1[N-]C(=O)c2c(Br)cccc21	mol27268	O=C1NC(=O)c2c(Br)cccc21