{ "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": "ed8a3aeb-22b1-4894-9b2e-048b313c7d1f", "code": "QP53AC10", "comments": "VATC|ECTOPARACITICIDES, INSECTICIDES AND REPELLENTS|ECTOPARASITICIDES FOR TOPICAL USE, INCL. INSECTICIDES|Pyrethrins and pyrethroids|fluvalinate", "type": "PRIMARY", "url": "http://www.whocc.no/atcvet/atcvet_index/?code=QP53AC10&showdescription=yes", "code_system": "WHO-VATC", "references": [ "dabc4e6f-b746-480b-b884-51cae34781a8" ] }, { "uuid": "693da6cd-b941-4bb0-a27c-6a05bf588aef", "code": "69409-94-5", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=69409-94-5", "code_system": "CAS", "references": [ "dabc4e6f-b746-480b-b884-51cae34781a8", "f9a52377-a047-4dcd-992c-ded391c8c86d" ] }, { "uuid": "cbb083bd-94f9-4529-aa61-ea6d465e8998", "code": "C034227", "type": "PRIMARY", "url": "http://www.ncbi.nlm.nih.gov/mesh/67034227", "code_system": "MESH", "references": [ "dabc4e6f-b746-480b-b884-51cae34781a8" ] }, { "uuid": "7636eec3-972f-484c-bd79-068a7010aa1b", "code": "109302", "comments": "EPA PESTICIDE|CONVENTIONAL CHEMICAL", "type": "PRIMARY", "url": "http://iaspub.epa.gov/apex/pesticides/f?p=CHEMICALSEARCH:3:0::NO:21,3,31,7,12,25:P3_XCHEMICAL_ID:2415", "code_system": "EPA PESTICIDE CODE", "references": [ "dabc4e6f-b746-480b-b884-51cae34781a8" ] }, { "uuid": "a6d92527-c49b-4cf2-b6ac-8c97ed49d785", "code": "m5514", "comments": "Merck Index", "type": "PRIMARY", "url": "https://merckindex.rsc.org/monographs/m5514?q=authorize", "code_system": "MERCK INDEX", "references": [ "dabc4e6f-b746-480b-b884-51cae34781a8" ] }, { "uuid": "5a7f95f8-1a29-4195-a513-e3b975c249b5", "code": "50516", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/50516", "code_system": "PUBCHEM", "references": [ "dabc4e6f-b746-480b-b884-51cae34781a8" ] }, { "uuid": "57761925-19db-7b0f-252a-c5a4e73231ab", "code": "Fluvalinate", "type": "PRIMARY", "url": "https://en.wikipedia.org/wiki/Fluvalinate", "code_system": "WIKIPEDIA", "references": [ "6a60a114-59bc-6387-4137-bbb7f24ad1d7" ] }, { "uuid": "080a1524-8e76-bc8d-903a-b7604c76f6fa", "code": "6659", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/source/hsdb/6659", "code_system": "HSDB", "references": [ "6acb9dfc-da5a-5cc7-b52e-49b251ea1312" ] }, { "uuid": "3ef01c0c-a6d4-35b7-854e-3ac3bcf5c492", "code": "DTXSID7024110", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID7024110", "code_system": "EPA CompTox", "references": [ "784d4fc0-7598-c59e-f5b9-bc7555d0f253" ] }, { "uuid": "998187ae-8f5b-41d5-85d5-f077fe4a223e", "code": "364G5G03VC", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "14384527-35b1-5ba4-ba73-ecb526ba6070", "code": "5135", "type": "PRIMARY", "url": "https://www.ebi.ac.uk/chebi/chebiOntology.do?chebiId=CHEBI:5135", "code_system": "CHEBI", "references": [ "f6b7a4b4-8258-62b8-5ee6-57435472ea76" ] }, { "uuid": "bfe698b9-8bb7-ffa8-3df3-0364cfa808b0", "code": "300000033274", "type": "PRIMARY", "code_system": "SMS_ID", "references": [ "48fd2349-9dbf-4ad6-522e-5669350b7f82" ] }, { "uuid": "4f8bc29e-5f8f-bf59-9ef5-354c39f2a731", "code": "fluvalinate", "type": "PRIMARY", "url": "https://pesticidecompendium.bcpc.org/fluvalinate.html", "code_system": "ALANWOOD", "references": [ "fd599066-8fd3-8e7a-708a-b376abdbc45c" ] } ], "relationships": [ { "uuid": "d6244867-8edb-4f18-a6fa-de6ca3a9ceb4", "type": "ACTIVE MOIETY", "related_substance": { "uuid": "27ad4e6a-c05c-4165-b09e-afb6499abcde", "refuuid": "579bc390-5ffb-4c9c-bfd2-59bcb231c998", "name": "FLUVALINATE", "unii": "364G5G03VC", "linking_id": "364G5G03VC", "ref_pname": "FLUVALINATE", "substance_class": "reference" } } ], "substance_class": "chemical", "names": [ { "uuid": "2189e686-f413-4b4d-b700-a53dec85a7b4", "name": "2-((2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)AMINO(-3-METHYLBUTYL CYANO(4-PHENOXYPHENYL)ACETATE", "stdName": "2-((2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)AMINO(-3-METHYLBUTYL CYANO(4-PHENOXYPHENYL)ACETATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "97ca6f10-ba33-4c9a-9e1d-1bcfc950e673", "ca493826-439e-4d81-b2a8-d43ca9cd1bde" ], "display_name": false }, { "uuid": "beb46137-5241-4939-8457-291a5c3340c3", "name": "BENZENEACETIC ACID, .ALPHA.-CYANO-4-PHENOXY-, 2-((2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)AMINO)-3-METHYLBUTYL ESTER", "stdName": "BENZENEACETIC ACID, .ALPHA.-CYANO-4-PHENOXY-, 2-((2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)AMINO)-3-METHYLBUTYL ESTER", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "97ca6f10-ba33-4c9a-9e1d-1bcfc950e673", "ca493826-439e-4d81-b2a8-d43ca9cd1bde" ], "display_name": false }, { "uuid": "76d1fc0a-72e9-4792-9318-7e2a81c0b8ba", "name": "DL-VALINE, N-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)-, CYANO(3-PHENOXYPHENYL)METHYL ESTER", "stdName": "DL-VALINE, N-(2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL)-, CYANO(3-PHENOXYPHENYL)METHYL ESTER", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "c8ab4d3e-d9f3-440b-b175-4120b628fc9b", "ca493826-439e-4d81-b2a8-d43ca9cd1bde" ], "display_name": false }, { "uuid": "d17bbeb0-0154-48c6-b3b1-15f839ac2eaa", "name": "FLUVALINATE", "stdName": "FLUVALINATE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "97ca6f10-ba33-4c9a-9e1d-1bcfc950e673", "ca493826-439e-4d81-b2a8-d43ca9cd1bde", "b5fdc5bb-8d47-4b1f-91da-c78bdd14c023", "7d1746ea-1be8-4e3b-a020-892647860c61", "343233b1-d7fd-4812-a6f6-98875748edf2", "dffaf7aa-f5cd-41e6-a35f-5585e2b12b33", "03d8026a-fedd-42e5-b2b2-01a37fe11a15", "07bf3dd1-717a-42f0-bb36-5aef7ab6f17f" ], "display_name": true }, { "uuid": "72b54baf-f2e9-47ae-8d89-be052f8bfac2", "name": "FLUVALINATE [HSDB]", "stdName": "FLUVALINATE [HSDB]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "ca493826-439e-4d81-b2a8-d43ca9cd1bde", "dffaf7aa-f5cd-41e6-a35f-5585e2b12b33" ], "display_name": false }, { "uuid": "e5575382-03c5-421b-888d-2063913ff6eb", "name": "FLUVALINATE [ISO]", "stdName": "FLUVALINATE [ISO]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "ca493826-439e-4d81-b2a8-d43ca9cd1bde", "03d8026a-fedd-42e5-b2b2-01a37fe11a15" ], "display_name": false }, { "uuid": "ff7dbc8c-5e82-49b5-aed8-1e3d9c12397b", "name": "FLUVALINATE [MI]", "stdName": "FLUVALINATE [MI]", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "ca493826-439e-4d81-b2a8-d43ca9cd1bde", "7d1746ea-1be8-4e3b-a020-892647860c61" ], "display_name": false }, { "uuid": "4196b836-f1a2-4fc3-881b-bf3a4b9034f7", "name": "ZR-3210", "stdName": "ZR-3210", "type": "cd", "languages": [ "en" ], "preferred": false, "references": [ "c8ab4d3e-d9f3-440b-b175-4120b628fc9b", "ca493826-439e-4d81-b2a8-d43ca9cd1bde" ], "display_name": false } ], "references": [ { "uuid": "97ca6f10-ba33-4c9a-9e1d-1bcfc950e673", "citation": "CHEMSPIDER", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "ca493826-439e-4d81-b2a8-d43ca9cd1bde", "citation": "CHEMSPIDER", "doc_type": "CHEMSPIDER", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "c8ab4d3e-d9f3-440b-b175-4120b628fc9b", "citation": "stn", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "dffaf7aa-f5cd-41e6-a35f-5585e2b12b33", "citation": "HSDB", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "03d8026a-fedd-42e5-b2b2-01a37fe11a15", "citation": "ISO", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "7d1746ea-1be8-4e3b-a020-892647860c61", "citation": "MERCK", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "dabc4e6f-b746-480b-b884-51cae34781a8", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391418000, "tags": [ "NOMEN" ] }, { "uuid": "3b121e7b-e69a-4d6e-aa0b-3824c9be03c8", "citation": "SRS import [364G5G03VC]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=364G5G03VC", "doc_type": "SRS", "public_domain": true, "document_date": 1493391418000, "tags": [ "NOMEN" ] }, { "uuid": "07bf3dd1-717a-42f0-bb36-5aef7ab6f17f", "citation": "FLUVALINATE [HSDB]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "b5fdc5bb-8d47-4b1f-91da-c78bdd14c023", "citation": "FLUVALINATE [ISO]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "343233b1-d7fd-4812-a6f6-98875748edf2", "citation": "FLUVALINATE [MI]", "doc_type": "SRS_LOCATOR", "public_domain": true }, { "uuid": "6a60a114-59bc-6387-4137-bbb7f24ad1d7", "citation": "WIKI", "url": "https://en.wikipedia.org/wiki/Benzocyclobutene", "doc_type": "WIKI", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "6acb9dfc-da5a-5cc7-b52e-49b251ea1312", "citation": "WEBSITE", "url": "https://toxnet.nlm.nih.gov/cgi-bin/sis/search2/r?dbs+hsdb:@term+@rn+@rel+69409-94-5", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "784d4fc0-7598-c59e-f5b9-bc7555d0f253", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=69409-94-5", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "48fd2349-9dbf-4ad6-522e-5669350b7f82", "citation": "EU-SRS", "doc_type": "EMA LIST", "public_domain": true }, { "uuid": "fd599066-8fd3-8e7a-708a-b376abdbc45c", "citation": "AW", "doc_type": "ALANWOOD", "public_domain": true }, { "uuid": "f6b7a4b4-8258-62b8-5ee6-57435472ea76", "doc_type": "SYSTEM", "public_domain": true }, { "uuid": "f9a52377-a047-4dcd-992c-ded391c8c86d", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "d9e721ae-e49e-4929-b3e4-8a9ce5c61dde", "id": "d9e721ae-e49e-4929-b3e4-8a9ce5c61dde", "molfile": "\n Marvin 01132111182D \n\n 35 37 0 0 0 0 999 V2000\n 8.6388 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8139 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4014 -4.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4014 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 7.8139 -6.9438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6388 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0513 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8764 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2889 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8764 -7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0513 -7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6388 -8.3727 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 11.1139 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5263 -7.6582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5263 -6.2293 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9388 -6.9438 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5764 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1638 -5.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1638 -6.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3389 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0\n 4.9264 -7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5139 -8.3727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1014 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6889 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1014 -4.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -4.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3389 -4.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -3.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3389 -2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1014 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6889 -2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1014 -3.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3389 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 0 0 0 0\n 2 3 1 0 0 0 0\n 4 2 1 0 0 0 0\n 5 4 1 0 0 0 0\n 4 17 1 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 1 0 0 0 0\n 6 11 2 0 0 0 0\n 8 7 2 0 0 0 0\n 9 8 1 0 0 0 0\n 9 10 2 0 0 0 0\n 13 9 1 0 0 0 0\n 11 10 1 0 0 0 0\n 11 12 1 0 0 0 0\n 13 14 1 0 0 0 0\n 13 15 1 0 0 0 0\n 13 16 1 0 0 0 0\n 17 18 2 0 0 0 0\n 19 17 1 0 0 0 0\n 20 19 1 0 0 0 0\n 20 21 1 0 0 0 0\n 20 23 1 0 0 0 0\n 21 22 3 0 0 0 0\n 23 24 1 0 0 0 0\n 23 35 2 0 0 0 0\n 24 25 2 0 0 0 0\n 26 25 1 0 0 0 0\n 26 27 2 0 0 0 0\n 27 28 1 0 0 0 0\n 35 27 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 29 34 2 0 0 0 0\n 30 31 2 0 0 0 0\n 31 32 1 0 0 0 0\n 33 32 2 0 0 0 0\n 34 33 1 0 0 0 0\nM END", "smiles": "CC(C)C(C(=O)OC(C#N)c1cccc(c1)Oc2ccccc2)Nc3ccc(cc3Cl)C(F)(F)F", "formula": "C26H22ClF3N2O3", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "603b5dc7-f119-4e74-95a1-77b00a8e516a" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "502.9136", "optical_activity": "UNSPECIFIED", "stereo_centers": 2 } ], "definition_level": "COMPLETE", "uuid": "579bc390-5ffb-4c9c-bfd2-59bcb231c998", "version": "9", "structure": { "id": "9374a0a3-bc13-4645-8265-5de5cb939f48", "molfile": "\n Marvin 01132107392D \n\n 35 37 0 0 0 0 999 V2000\n 11.1139 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.2889 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8764 -7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0513 -7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6388 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8139 -6.9438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4014 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5764 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1638 -6.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3389 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3389 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -4.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3389 -4.0858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -3.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3389 -2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1014 -1.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6889 -2.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1014 -3.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1014 -4.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6889 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1014 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.9264 -7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5139 -8.3727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1638 -5.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8139 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6388 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4014 -4.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0513 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8764 -6.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.6388 -8.3727 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5263 -7.6582 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 11.5263 -6.2293 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 11.9388 -6.9438 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\n 4 3 1 0 0 0 0\n 5 4 2 0 0 0 0\n 6 5 1 0 0 0 0\n 6 7 1 0 0 0 0\n 7 8 1 0 0 0 0\n 9 8 1 0 0 0 0\n 10 9 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 2 0 0 0 0\n 12 13 1 0 0 0 0\n 13 14 1 0 0 0 0\n 14 15 1 0 0 0 0\n 15 16 2 0 0 0 0\n 16 17 1 0 0 0 0\n 17 18 2 0 0 0 0\n 19 18 1 0 0 0 0\n 20 19 2 0 0 0 0\n 15 20 1 0 0 0 0\n 21 13 2 0 0 0 0\n 21 22 1 0 0 0 0\n 23 22 2 0 0 0 0\n 11 23 1 0 0 0 0\n 10 24 1 0 0 0 0\n 24 25 3 0 0 0 0\n 8 26 2 0 0 0 0\n 7 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 27 29 1 0 0 0 0\n 5 30 1 0 0 0 0\n 31 30 2 0 0 0 0\n 2 31 1 0 0 0 0\n 4 32 1 0 0 0 0\n 1 33 1 0 0 0 0\n 1 34 1 0 0 0 0\n 1 35 1 0 0 0 0\nM END", "smiles": "CC(C)C(C(=O)OC(C#N)c1cccc(c1)Oc2ccccc2)Nc3ccc(cc3Cl)C(F)(F)F", "formula": "C26H22ClF3N2O3", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "MIXED", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "502.9136", "optical_activity": "UNSPECIFIED", "references": [ "97ca6f10-ba33-4c9a-9e1d-1bcfc950e673", "3b121e7b-e69a-4d6e-aa0b-3824c9be03c8" ], "stereo_centers": 2 }, "unii": "364G5G03VC" } ] }