{
  "meta": {
    "disclaimer": "Do not rely on openFDA to make decisions regarding medical care. While we make every effort to ensure that data is accurate, you should assume all results are unvalidated. We may limit or otherwise restrict your access to the API in line with our Terms of Service.",
    "terms": "https://open.fda.gov/terms/",
    "license": "https://open.fda.gov/license/",
    "last_updated": "2025-09-19",
    "results": {
      "skip": 0,
      "limit": 1,
      "total": 1
    }
  },
  "results": [
    {
      "codes": [
        {
          "uuid": "dc9a3eb5-2875-4017-a34d-01019f1af792",
          "code": "212-485-8",
          "type": "PRIMARY",
          "url": "https://echa.europa.eu/substance-information/-/substanceinfo/100.011.350",
          "code_system": "ECHA (EC/EINECS)",
          "references": [
            "38c3d079-be1c-4155-9bd8-edd0872452e3"
          ]
        },
        {
          "uuid": "693324ec-55a7-4977-8cd8-3ea32191931c",
          "code": "13192",
          "type": "PRIMARY",
          "url": "https://pubchem.ncbi.nlm.nih.gov/compound/13192",
          "code_system": "PUBCHEM",
          "references": [
            "38c3d079-be1c-4155-9bd8-edd0872452e3"
          ]
        },
        {
          "uuid": "2eae1feb-6c1e-4e39-898d-462ffeef4fc6",
          "code": "822-06-0",
          "type": "PRIMARY",
          "url": "https://commonchemistry.cas.org/detail?cas_rn=822-06-0",
          "code_system": "CAS",
          "references": [
            "38c3d079-be1c-4155-9bd8-edd0872452e3",
            "3acdcf49-fe4c-4cb4-8d1b-f38dc5814c0f"
          ]
        },
        {
          "uuid": "0581752e-426a-4fab-bbfd-d8ec34ca44a3",
          "code": "HEXAMETHYLENE DIISOCYANATE",
          "type": "PRIMARY",
          "url": "https://en.wikipedia.org/wiki/Hexamethylene_diisocyanate",
          "code_system": "WIKIPEDIA",
          "references": [
            "38c3d079-be1c-4155-9bd8-edd0872452e3"
          ]
        },
        {
          "uuid": "f992fea6-0e15-42b8-ba28-b541cf3821b8",
          "code": "1428547",
          "comments": "RxNorm",
          "type": "PRIMARY",
          "url": "https://rxnav.nlm.nih.gov/REST/rxcui/1428547/allProperties.xml?prop=all",
          "code_system": "RXCUI",
          "references": [
            "38c3d079-be1c-4155-9bd8-edd0872452e3"
          ]
        },
        {
          "uuid": "883914f5-bee2-711a-5bba-2888ecdadc34",
          "code": "6134",
          "type": "PRIMARY",
          "url": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/6134",
          "code_system": "HSDB",
          "references": [
            "7c81d40d-9a3e-30b2-2be7-cff310c15644"
          ]
        },
        {
          "uuid": "5fb5dd1c-ae04-e7de-262d-4c62104ecafb",
          "code": "DTXSID4024143",
          "type": "PRIMARY",
          "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID4024143",
          "code_system": "EPA CompTox",
          "references": [
            "5d372157-8709-01d8-bc96-6710bf15aa12"
          ]
        },
        {
          "uuid": "c0ead934-8574-4b13-a666-75fb44f29111",
          "code": "0I70A3I1UF",
          "type": "PRIMARY",
          "code_system": "FDA UNII"
        },
        {
          "uuid": "d37a1cf7-2a34-ce0a-154e-f84311e474c3",
          "code": "53216",
          "type": "PRIMARY",
          "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:53216",
          "code_system": "CHEBI",
          "references": [
            "5aef8081-8fdc-37d8-bf04-acbf7f0afaa5"
          ]
        },
        {
          "uuid": "5301e47e-c736-8d63-e625-5fa87c5987fd",
          "code": "53578",
          "type": "PRIMARY",
          "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:53578",
          "code_system": "CHEBI",
          "references": [
            "5aef8081-8fdc-37d8-bf04-acbf7f0afaa5"
          ]
        },
        {
          "uuid": "8e858c27-15c1-a559-58bc-c1bbb6720389",
          "code": "11687",
          "type": "PRIMARY",
          "url": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=11687",
          "code_system": "NSC",
          "references": [
            "3f77c5ff-3542-662b-d790-77e286c23739"
          ]
        },
        {
          "uuid": "0aaa28a0-5686-88f4-6d9d-ce2da1a969d5",
          "code": "0I70A3I1UF",
          "type": "PRIMARY",
          "url": "https://dailymed.nlm.nih.gov/dailymed/search.cfm?adv=1&query=0I70A3I1UF",
          "code_system": "DAILYMED",
          "references": [
            "be586fe7-226f-d5d3-7502-1c11350f8ccc"
          ]
        }
      ],
      "substance_class": "chemical",
      "names": [
        {
          "uuid": "8746864c-71de-4e45-8cda-ac7d52af4c42",
          "name": "1,6-DIISOCYANATOHEXAMETHYLENE",
          "stdName": "1,6-DIISOCYANATOHEXAMETHYLENE",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "b739e925-75db-4f44-bdfb-0e9231927d5b",
          "name": "1,6-DIISOCYANATOHEXANE",
          "stdName": "1,6-DIISOCYANATOHEXANE",
          "type": "sys",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "a6eee859-62b6-4193-8db8-6707bda0be59",
          "name": "1,6-HEXAMETHYLENE DI-ISOCYANATE",
          "stdName": "1,6-HEXAMETHYLENE DI-ISOCYANATE",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "d2eceabe-e90d-4d7d-8b3b-bc76adc2924f",
            "15ff1f78-1378-4e03-ae71-130bf41f1706"
          ],
          "display_name": false
        },
        {
          "uuid": "305d7154-0c89-4993-a1f6-379641bdd027",
          "name": "1,6-HEXAMETHYLENE DIISOCYANATE",
          "stdName": "1,6-HEXAMETHYLENE DIISOCYANATE",
          "type": "of",
          "languages": [
            "en"
          ],
          "preferred": true,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false,
          "domains": [
            "cosmetic"
          ],
          "name_orgs": [
            {
              "uuid": "d1340ddc-7b85-42c2-9694-f7b6a60b800e",
              "name_org": "INCI"
            }
          ]
        },
        {
          "uuid": "10ba3863-5417-4fbd-9407-b6475cea4db3",
          "name": "1,6-HEXANE DIISOCYANATE",
          "stdName": "1,6-HEXANE DIISOCYANATE",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "ac376acc-3fd4-4b55-8ff8-6972350e8588",
          "name": "1,6-HEXYLENE DIISOCYANATE",
          "stdName": "1,6-HEXYLENE DIISOCYANATE",
          "type": "sys",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "bc08816a-0ae3-418f-bdbd-21ef6b871c97",
          "name": "GMDI",
          "stdName": "GMDI",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "6eff6227-2a86-43c3-94a4-23a8d77900ab",
          "name": "HDI",
          "stdName": "HDI",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "1e65e073-c2f2-46a1-9f54-0922a75b1ac8",
          "name": "HEXAMETHYLENE DIISOCYANATE",
          "stdName": "HEXAMETHYLENE DIISOCYANATE",
          "type": "sys",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "375c173f-3479-4600-8b82-ead8e889f4dc",
            "7f887ebe-0e26-46db-afee-4ea3e0247a42",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": true
        },
        {
          "uuid": "c5845460-08d0-4fd6-9a04-56e177c525b4",
          "name": "HEXAMETHYLENE DIISOCYANATE [HSDB]",
          "stdName": "HEXAMETHYLENE DIISOCYANATE [HSDB]",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "7f887ebe-0e26-46db-afee-4ea3e0247a42"
          ],
          "display_name": false
        },
        {
          "uuid": "79ad1ed0-558b-494b-ad6e-73886ce5c8cd",
          "name": "HEXAMETHYLENE DIISOCYANATE, 1,6-",
          "stdName": "HEXAMETHYLENE DIISOCYANATE, 1,6-",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "396f084b-7fa4-4994-8337-9be10b34a7e0",
            "3455059e-97a1-41ce-9d2e-169b3395a3dc"
          ],
          "display_name": false
        },
        {
          "uuid": "10396fe1-9d12-4018-97c7-d5ac7acafc11",
          "name": "HEXAMETHYLENE-1,6-DIISOCYANATE",
          "stdName": "HEXAMETHYLENE-1,6-DIISOCYANATE",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "396f084b-7fa4-4994-8337-9be10b34a7e0",
            "3455059e-97a1-41ce-9d2e-169b3395a3dc"
          ],
          "display_name": false
        },
        {
          "uuid": "1697d182-f229-4e04-80e1-c36e50488dd7",
          "name": "HEXAMETHYLENE-1,6-DIISOCYANATE (DIISOCYANATES)",
          "stdName": "HEXAMETHYLENE-1,6-DIISOCYANATE (DIISOCYANATES)",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "396f084b-7fa4-4994-8337-9be10b34a7e0",
            "3455059e-97a1-41ce-9d2e-169b3395a3dc"
          ],
          "display_name": false
        },
        {
          "uuid": "66d3b0a4-8e06-4f20-9ae3-28dac25ca3d4",
          "name": "HEXAMETHYLENEDIISOCYANATE",
          "stdName": "HEXAMETHYLENEDIISOCYANATE",
          "type": "sys",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "aac060c5-4185-469b-841f-d344d1a29e10"
          ],
          "display_name": false
        },
        {
          "uuid": "4af8c31d-df84-4b70-8881-8488710501e9",
          "name": "HEXANE 1,6-DIISOCYANATE",
          "stdName": "HEXANE 1,6-DIISOCYANATE",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "5bb8f9fc-31e2-41c0-b1a4-2e91c83b9588",
          "name": "HMDI",
          "stdName": "HMDI",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "0d306766-c1a7-4473-a28d-846e6971ef53",
          "name": "HXT",
          "stdName": "HXT",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "f8d5912b-d19b-48c1-902c-009312bbb092",
          "name": "ISOCYANIC ACID, HEXAMETHYLENE ESTER",
          "stdName": "ISOCYANIC ACID, HEXAMETHYLENE ESTER",
          "type": "cn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "3b359bbe-2e71-4ff8-af00-6e8d763bdfa7",
          "name": "NSC-11687",
          "stdName": "NSC-11687",
          "type": "cd",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "329c05d7-6c5c-4226-8d31-9dfffe177a5a",
          "name": "S 90",
          "stdName": "S 90",
          "type": "bn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "6ad633fe-68e2-410c-a19d-a8e540f53804",
          "name": "S-90",
          "stdName": "S-90",
          "type": "bn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "3455059e-97a1-41ce-9d2e-169b3395a3dc",
            "88dcffbe-954b-42ac-9517-d8fe000d6e69"
          ],
          "display_name": false
        },
        {
          "uuid": "90511774-aaa2-44d1-af84-9e3028c7ae94",
          "name": "TL 78",
          "stdName": "TL 78",
          "type": "bn",
          "languages": [
            "en"
          ],
          "preferred": false,
          "references": [
            "396f084b-7fa4-4994-8337-9be10b34a7e0",
            "3455059e-97a1-41ce-9d2e-169b3395a3dc"
          ],
          "display_name": false
        }
      ],
      "references": [
        {
          "uuid": "aac060c5-4185-469b-841f-d344d1a29e10",
          "citation": "ICSAS BATCH 2010",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN",
            "PUBLIC_DOMAIN_RELEASE",
            "AUTO_SELECTED"
          ]
        },
        {
          "uuid": "7f887ebe-0e26-46db-afee-4ea3e0247a42",
          "citation": "HSDB",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "3455059e-97a1-41ce-9d2e-169b3395a3dc",
          "citation": "NLM",
          "doc_type": "NLM",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "88dcffbe-954b-42ac-9517-d8fe000d6e69",
          "citation": "STN",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "396f084b-7fa4-4994-8337-9be10b34a7e0",
          "citation": "CHEMID",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "15ff1f78-1378-4e03-ae71-130bf41f1706",
          "citation": "NLM",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "d2eceabe-e90d-4d7d-8b3b-bc76adc2924f",
          "citation": "RXNORM",
          "doc_type": "NLM",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "38c3d079-be1c-4155-9bd8-edd0872452e3",
          "citation": "SRS CODE IMPORT",
          "doc_type": "SRS",
          "public_domain": true,
          "document_date": 1493390961000,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "6f91be46-b5d2-46aa-addc-304e5e5e5a8b",
          "citation": "SRS import [0I70A3I1UF]",
          "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=0I70A3I1UF",
          "doc_type": "SRS",
          "public_domain": true,
          "document_date": 1493390961000,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "a56df6f8-7c68-4077-871e-c2d58e0e5497",
          "citation": "CHEMID 2010",
          "doc_type": "SRS",
          "public_domain": true,
          "tags": [
            "NOMEN"
          ]
        },
        {
          "uuid": "375c173f-3479-4600-8b82-ead8e889f4dc",
          "citation": "HEXAMETHYLENE DIISOCYANATE [HSDB]",
          "doc_type": "SRS_LOCATOR",
          "public_domain": true
        },
        {
          "uuid": "7c81d40d-9a3e-30b2-2be7-cff310c15644",
          "citation": "WEBSITE",
          "url": "https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/r?dbs+hsdb:@term+@rn+@rel+822-06-0",
          "doc_type": "WEBSITE",
          "public_domain": true,
          "tags": [
            "NOMEN",
            "PUBLIC_DOMAIN_RELEASE"
          ]
        },
        {
          "uuid": "5d372157-8709-01d8-bc96-6710bf15aa12",
          "citation": "WEBSITE",
          "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=822-06-0",
          "doc_type": "WEBSITE",
          "public_domain": true,
          "tags": [
            "NOMEN",
            "PUBLIC_DOMAIN_RELEASE"
          ]
        },
        {
          "uuid": "66e796ab-2c2a-fc68-34cb-6e5d88f04497",
          "citation": "PCPC",
          "doc_type": "PERSONAL CARE PRODUCTS COUNCIL",
          "public_domain": true
        },
        {
          "uuid": "3acdcf49-fe4c-4cb4-8d1b-f38dc5814c0f",
          "citation": "STN",
          "doc_type": "STN (SCIFINDER)",
          "public_domain": true
        },
        {
          "uuid": "5aef8081-8fdc-37d8-bf04-acbf7f0afaa5",
          "doc_type": "SYSTEM",
          "public_domain": true
        },
        {
          "uuid": "3f77c5ff-3542-662b-d790-77e286c23739",
          "citation": "NCI",
          "doc_type": "NCI DRUG DICTIONARY",
          "public_domain": true
        },
        {
          "uuid": "be586fe7-226f-d5d3-7502-1c11350f8ccc",
          "citation": "DailyMed",
          "doc_type": "DAILYMED",
          "public_domain": true
        }
      ],
      "definition_type": "PRIMARY",
      "moieties": [
        {
          "uuid": "70b5633f-e5d4-4ffb-809e-94f535a2e6b0",
          "id": "70b5633f-e5d4-4ffb-809e-94f535a2e6b0",
          "molfile": "\n  Marvin  01132105512D          \n\n 12 11  0  0  0  0            999 V2000\n   10.1622   -4.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1622   -5.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4153   -5.4454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7293   -4.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9762   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2901   -4.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5449   -5.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8632   -4.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1057   -5.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4241   -4.6474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6797   -5.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6797   -5.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 12 11  2  0  0  0  0\nM  END",
          "smiles": "C(CCCN=C=O)CCN=C=O",
          "formula": "C8H12N2O2",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "b1490c31-0015-43b1-9c94-95a02c7df1c7"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "168.1934",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "d47db4ad-0302-4c5b-86e9-692128258436",
      "version": "10",
      "structure": {
        "id": "dde64996-946d-48e1-9e33-68f0d61d9b21",
        "molfile": "\n  Marvin  01132111302D          \n\n 12 11  0  0  0  0            999 V2000\n    3.6797   -5.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4241   -4.6474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1057   -5.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8632   -4.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5449   -5.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2901   -4.8711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9762   -5.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7293   -4.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4153   -5.4454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1622   -5.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1622   -4.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6797   -5.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  2  0  0  0  0\n 11 10  2  0  0  0  0\n 12  1  2  0  0  0  0\nM  END",
        "smiles": "C(CCCN=C=O)CCN=C=O",
        "formula": "C8H12N2O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "168.1934",
        "optical_activity": "NONE",
        "references": [
          "6f91be46-b5d2-46aa-addc-304e5e5e5a8b",
          "a56df6f8-7c68-4077-871e-c2d58e0e5497"
        ],
        "stereo_centers": 0
      },
      "unii": "0I70A3I1UF"
    }
  ]
}