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-- Auto-compiled query (editable) SELECT m.chembl_id, m.smiles_canonical, q.homo_eV, a.standard_value AS ic50_nm FROM molecules m JOIN qm_calculations q ON q.molecule_id = m.id JOIN chembl_activities a ON a.molecule_chembl_id = m.chembl_id WHERE q.homo_eV > -5.0 AND a.standard_type = 'IC50' AND a.standard_value < 100 AND a.target_chembl_id = 'CHEMBL203' ORDER BY a.standard_value ASC LIMIT 100;