pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	AttenGpKa training set	1	0	COc1cccc([N+](C)(C)O)c1	COc1cccc([N+](C)(C)[O-])c1	mol24779	COc1cccc([N+](C)(C)O)c1