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"chemical_id": "INCHIKEY:RYHBNJHYFVUHQT-UHFFFAOYSA-N", "connectivity_block": "RYHBNJHYFVUHQT", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"DIO\": 0}", "formulae": "[\"C4 H8 O2\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "RYHBNJHYFVUHQT-UHFFFAOYSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "C1COCCO1", "primary_name": "1,4-DIETHYLENE DIOXIDE", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"DIO\": \"C1COCCO1\"}", "source_metadata_sha256": "{\"DIO\": \"b0afd591d2461f07737c523fd35b1158c37cd20ceafe46b094ba76bf4681054d\"}", "source_urls": [ "https://www.rcsb.org/ligand/DIO" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "1,4-DIETHYLENE DIOXIDE", 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pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"ryhbnjhyfvuhqt-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c1cocco1\",\"primary_name\":\"1,4-diethylene dioxide\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"dio\\\": \\\"c1cocco1\\\"}\",\"source_metadata_sha256\":\"{\\\"dio\\\": \\\"b0afd591d2461f07737c523fd35b1158c37cd20ceafe46b094ba76bf4681054d\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/dio\"]}", "source_urls": [ "https://www.rcsb.org/ligand/DIO" ], "verification_pending": false, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"309\", \"component\": \"GLY\", \"entity_position\": 229, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.891, \"uniprot_position\": 309}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"GLN\", \"entity_position\": 230, \"label_asym_id\": \"A\", 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