pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	AttenGpKa training set	1	0	CNc1cc([O-])[n+](C)c[nH+]1,C[NH2+]c1cc([O-])[n+](C)cn1,CNc1cc(O)[n+](C)cn1	CNc1cc([O-])[n+](C)cn1	mol25734	CNc1cc(O)[n+](C)cn1