pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-1.46	AttenGpKa training set	2	1	CCOc1ccc([NH+](C)c2ccc(/C=C/C3=[N+](C)c4ccc(C(=O)OC)cc4C3(C)C)cc2)cc1	CCOc1ccc(N(C)c2ccc(/C=C/C3=[N+](C)c4ccc(C(=O)OC)cc4C3(C)C)cc2)cc1	mol30100	CCOc1ccc(N(C)c2ccc(/C=C/C3=[N+](C)c4ccc(C(=O)OC)cc4C3(C)C)cc2)cc1