{ "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": "87d8fbb2-b31f-4796-bf37-83a0022273a0", "code": "163763", "type": "PRIMARY", "url": "https://pubchem.ncbi.nlm.nih.gov/compound/163763", "code_system": "PUBCHEM", "references": [ "4a87ce85-93f9-4d39-80f7-e411485a2ef0" ] }, { "uuid": "25f10648-455a-456c-8660-3ed1d73babdf", "code": "106990-43-6", "type": "PRIMARY", "url": "https://commonchemistry.cas.org/detail?cas_rn=106990-43-6", "code_system": "CAS", "references": [ "4a87ce85-93f9-4d39-80f7-e411485a2ef0", "b9968321-88a1-4176-9527-f885e0554fa8" ] }, { "uuid": "0f67ca10-695d-4abe-841e-0db516385b3e", "code": "1489543", "comments": "RxNorm", "type": "PRIMARY", "url": "https://rxnav.nlm.nih.gov/REST/rxcui/1489543/allProperties.xml?prop=all", "code_system": "RXCUI", "references": [ "4a87ce85-93f9-4d39-80f7-e411485a2ef0" ] }, { "uuid": "73e486db-554f-64f1-b7d4-3fb3d0ed35fd", "code": "DTXSID9047122", "type": "PRIMARY", "url": "https://comptox.epa.gov/dashboard/chemical/details/DTXSID9047122", "code_system": "EPA CompTox", "references": [ "b30c85cb-ef0a-f197-bbbe-d8de9462091a" ] }, { "uuid": "1dd923fc-1703-48ca-ad3f-8b7b50e41850", "code": "UBL01213LI", "type": "PRIMARY", "code_system": "FDA UNII" }, { "uuid": "87b6c709-2e10-18e9-90f1-d4aaa6b3ea0c", "code": "UBL01213LI", "type": "PRIMARY", "url": "https://dailymed.nlm.nih.gov/dailymed/search.cfm?adv=1&query=UBL01213LI", "code_system": "DAILYMED", "references": [ "8a3625cf-d0b4-5ed5-3239-20badc3f6622" ] } ], "substance_class": "chemical", "names": [ { "uuid": "d03fcc73-79ca-43a3-9863-123cbbf52c12", "name": "1,3,5-TRIAZINE-2,4,6-TRIAMINE, N,N'''-1,2-ETHANEDIYLBIS(N- (3-((4,6-BIS(BUTYL(1,2,2,6,6-PENTAMETHYL-4- PIPERIDINYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)PROPYL)-N',N''-", "stdName": "1,3,5-TRIAZINE-2,4,6-TRIAMINE, N,N'''-1,2-ETHANEDIYLBIS(N- (3-((4,6-BIS(BUTYL(1,2,2,6,6-PENTAMETHYL-4- PIPERIDINYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)PROPYL)-N',N''-", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5d0d7d30-71c1-48aa-b73f-4a0042069f46" ], "display_name": false }, { "uuid": "fa52811b-ed1b-44b7-9fb2-e052c249aa24", "name": "1,3,5-TRIAZINE-2,4,6-TRIAMINE, N2,N2'-1,2-ETHANEDIYLBIS(N2- (3-((4,6-BIS(BUTYL(1,2,2,6,6-PENTAMETHYL-4-", "stdName": "1,3,5-TRIAZINE-2,4,6-TRIAMINE, N2,N2'-1,2-ETHANEDIYLBIS(N2- (3-((4,6-BIS(BUTYL(1,2,2,6,6-PENTAMETHYL-4-", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5d0d7d30-71c1-48aa-b73f-4a0042069f46" ], "display_name": false }, { "uuid": "d8edfec7-4bd2-4d3a-8feb-660a71abbb2c", "name": "1,3,5-TRIAZINE-2,4,6-TRIAMINE, N2,N2'-1,2-ETHANEDIYLBIS(N2- (3-((4,6-BIS(BUTYL(1,2,2,6,6-PENTAMETHYL-4- PIPERIDINYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)PROPYL)-N4,N6- DIBUTYL-N4,N6-BIS(1,2,2,6,6-PENTAMETHYL-4-PIPERIDINYL)-", "stdName": "1,3,5-TRIAZINE-2,4,6-TRIAMINE, N2,N2'-1,2-ETHANEDIYLBIS(N2- (3-((4,6-BIS(BUTYL(1,2,2,6,6-PENTAMETHYL-4- PIPERIDINYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)PROPYL)-N4,N6- DIBUTYL-N4,N6-BIS(1,2,2,6,6-PENTAMETHYL-4-PIPERIDINYL)-", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "5d0d7d30-71c1-48aa-b73f-4a0042069f46" ], "display_name": false }, { "uuid": "fc5e6942-55b6-428c-a826-f85bde8e201c", "name": "1,5,8,12-TETRAKIS(4,6-BIS(N-BUTYL-N-1,2,2,6,6-PENTAMETHYL-4-PIPERIDYLAMINO)-1,3,5-TRIAZIN-2-YL)-1,5,8,12-TETRAAZADODECANE", "stdName": "1,5,8,12-TETRAKIS(4,6-BIS(N-BUTYL-N-1,2,2,6,6-PENTAMETHYL-4-PIPERIDYLAMINO)-1,3,5-TRIAZIN-2-YL)-1,5,8,12-TETRAAZADODECANE", "type": "sys", "languages": [ "en" ], "preferred": false, "references": [ "75a1289c-60cb-4228-9d10-4cbbecf02af5" ], "display_name": false }, { "uuid": "266a652f-74c4-4ef4-9b35-38b23a8c73f5", "name": "1,5,8,12-TETRAKIS(4,6-BIS(N-BUTYL-N-1,2,2,6,6-PENTAMETHYL-4-PIPERIDYLAMINO)-1,3,5-TRIAZINE-2-YL)-1,5,8,12-TETRAAZADODECANE", "stdName": "1,5,8,12-TETRAKIS(4,6-BIS(N-BUTYL-N-1,2,2,6,6-PENTAMETHYL-4-PIPERIDYLAMINO)-1,3,5-TRIAZINE-2-YL)-1,5,8,12-TETRAAZADODECANE", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "75a1289c-60cb-4228-9d10-4cbbecf02af5" ], "display_name": false }, { "uuid": "b022e1af-bd37-470d-8dd3-e00234b0a292", "name": "ANTIOXIDANT 119", "stdName": "ANTIOXIDANT 119", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "38659c5d-dbcb-4263-b0f5-e445d45de801" ], "display_name": true }, { "uuid": "896672f0-fcf7-43c6-85bf-0e16e6d5ef41", "name": "CHIMASSORB 119", "stdName": "CHIMASSORB 119", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "38659c5d-dbcb-4263-b0f5-e445d45de801" ], "display_name": false }, { "uuid": "7e5e85ec-0850-488c-9e4c-4cbb1e797470", "name": "CHIMASSORB NOR 119", "stdName": "CHIMASSORB NOR 119", "type": "cn", "languages": [ "en" ], "preferred": false, "references": [ "38659c5d-dbcb-4263-b0f5-e445d45de801" ], "display_name": false } ], "references": [ { "uuid": "75a1289c-60cb-4228-9d10-4cbbecf02af5", "citation": "CFSAN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE", "AUTO_SELECTED" ] }, { "uuid": "5d0d7d30-71c1-48aa-b73f-4a0042069f46", "citation": "CHEMID", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "38659c5d-dbcb-4263-b0f5-e445d45de801", "citation": "STN", "doc_type": "SRS", "public_domain": true, "tags": [ "NOMEN" ] }, { "uuid": "4a87ce85-93f9-4d39-80f7-e411485a2ef0", "citation": "SRS CODE IMPORT", "doc_type": "SRS", "public_domain": true, "document_date": 1493391755000, "tags": [ "NOMEN" ] }, { "uuid": "817aa32f-84f4-42b5-b105-b5b413d51692", "citation": "SRS import [UBL01213LI]", "url": "http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=UBL01213LI", "doc_type": "SRS", "public_domain": true, "document_date": 1493391755000, "tags": [ "NOMEN" ] }, { "uuid": "b30c85cb-ef0a-f197-bbbe-d8de9462091a", "citation": "WEBSITE", "url": "https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=106990-43-6", "doc_type": "WEBSITE", "public_domain": true, "tags": [ "NOMEN", "PUBLIC_DOMAIN_RELEASE" ] }, { "uuid": "b9968321-88a1-4176-9527-f885e0554fa8", "citation": "STN", "doc_type": "STN (SCIFINDER)", "public_domain": true }, { "uuid": "8a3625cf-d0b4-5ed5-3239-20badc3f6622", "citation": "DailyMed", "doc_type": "DAILYMED", "public_domain": true } ], "definition_type": "PRIMARY", "moieties": [ { "uuid": "3d96f2a2-0231-407f-bea6-29ad25afaf57", "id": "3d96f2a2-0231-407f-bea6-29ad25afaf57", "molfile": "\n Marvin 01132103162D \n\n164175 0 0 0 0 999 V2000\n -6.4388 -4.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5821 -4.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.9501 -3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1748 -3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5428 -3.3516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7676 -3.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6243 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8491 -4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3188 -5.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1313 -5.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2171 -4.1981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4419 -4.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3604 -3.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0782 -2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5479 -3.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1356 -3.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6861 -2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0541 -2.0088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1974 -1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5654 -0.6660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7901 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1582 -0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3829 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4541 -0.1638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3211 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9531 0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7284 -0.1978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3604 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1356 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7676 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5428 0.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1748 0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0316 1.6412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6636 2.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4388 1.8893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5821 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9501 0.5466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3573 0.7947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9893 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8460 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4780 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3348 3.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5006 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2758 -0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4191 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9494 -1.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2315 -0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7871 -1.6427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9304 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0118 -1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1994 -1.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7297 -2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8686 -0.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5203 2.9840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1523 3.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9275 3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5595 3.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4163 4.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7451 3.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6018 4.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8265 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2962 4.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1087 5.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1946 3.8305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4193 4.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3378 3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0557 2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5254 2.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1131 2.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8716 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1572 -1.4228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1572 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8716 -2.6603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5861 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5861 -1.4228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3006 -2.6603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3006 -3.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5861 -3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5861 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3006 -5.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0151 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7295 -2.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4440 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8565 -2.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2690 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4440 -1.4228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1585 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7295 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3170 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1420 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0151 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4427 -2.6603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2718 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2718 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9862 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7007 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4427 -3.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1572 -3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1572 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9822 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5697 -5.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4427 -5.1353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4427 -5.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2718 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6843 -5.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0968 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2718 -3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5476 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1282 1.3778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0563 2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6914 2.5483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3672 2.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2953 1.2533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1149 2.4238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1868 3.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5110 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5829 4.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3306 4.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7907 1.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5384 2.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2142 1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6874 2.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0361 1.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1423 1.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8181 0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3946 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9214 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7432 -0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7188 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7321 2.6729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4798 2.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5517 1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2994 1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9752 1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6602 3.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0875 3.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1594 4.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9812 4.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6326 5.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5164 5.1385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4445 5.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2641 4.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6128 5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0860 4.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3360 3.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9726 -0.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6046 -1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4614 -2.2569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3799 -1.1623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5231 -0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.2984 -0.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.4416 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.2169 1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0118 -1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7871 -1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.4191 -1.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -9.2315 -2.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.9494 -1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.2758 -2.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -8.9078 -3.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5006 -3.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9703 -3.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7827 -3.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8686 -2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 1 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 5 6 1 0 0 0 0\n 17 5 1 0 0 0 0\n 6 7 1 0 0 0 0\n 16 6 1 0 0 0 0\n 7 8 1 0 0 0 0\n 8 9 1 0 0 0 0\n 8 10 1 0 0 0 0\n 11 8 1 0 0 0 0\n 11 12 1 0 0 0 0\n 11 13 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 18 17 1 0 0 0 0\n148 17 2 0 0 0 0\n 18 19 2 0 0 0 0\n 20 19 1 0 0 0 0\n 19146 1 0 0 0 0\n 21 20 1 0 0 0 0\n 22 21 1 0 0 0 0\n 23 22 1 0 0 0 0\n 24 23 1 0 0 0 0\n 25 24 1 0 0 0 0\n108 24 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 70 27 1 0 0 0 0\n 28 29 1 0 0 0 0\n 29 30 1 0 0 0 0\n 30 31 1 0 0 0 0\n 31 32 1 0 0 0 0\n 33 32 1 0 0 0 0\n 32 37 2 0 0 0 0\n 33 34 2 0 0 0 0\n 35 34 1 0 0 0 0\n 34 54 1 0 0 0 0\n 36 35 2 0 0 0 0\n 37 36 1 0 0 0 0\n 36 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 38 43 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 43 44 1 0 0 0 0\n 53 43 1 0 0 0 0\n 44 45 1 0 0 0 0\n 45 46 1 0 0 0 0\n 45 47 1 0 0 0 0\n 48 45 1 0 0 0 0\n 48 49 1 0 0 0 0\n 48 50 1 0 0 0 0\n 50 51 1 0 0 0 0\n 50 52 1 0 0 0 0\n 50 53 1 0 0 0 0\n 54 55 1 0 0 0 0\n 54 59 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 58 1 0 0 0 0\n 59 60 1 0 0 0 0\n 69 59 1 0 0 0 0\n 60 61 1 0 0 0 0\n 61 62 1 0 0 0 0\n 61 63 1 0 0 0 0\n 64 61 1 0 0 0 0\n 64 65 1 0 0 0 0\n 64 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 66 68 1 0 0 0 0\n 66 69 1 0 0 0 0\n 71 70 1 0 0 0 0\n 70 75 2 0 0 0 0\n 71 72 2 0 0 0 0\n 73 72 1 0 0 0 0\n 72 92 1 0 0 0 0\n 74 73 2 0 0 0 0\n 75 74 1 0 0 0 0\n 74 76 1 0 0 0 0\n 76 77 1 0 0 0 0\n 76 81 1 0 0 0 0\n 77 78 1 0 0 0 0\n 78 79 1 0 0 0 0\n 79 80 1 0 0 0 0\n 81 82 1 0 0 0 0\n 91 81 1 0 0 0 0\n 82 83 1 0 0 0 0\n 83 84 1 0 0 0 0\n 83 85 1 0 0 0 0\n 86 83 1 0 0 0 0\n 86 87 1 0 0 0 0\n 86 88 1 0 0 0 0\n 88 89 1 0 0 0 0\n 88 90 1 0 0 0 0\n 88 91 1 0 0 0 0\n 92 93 1 0 0 0 0\n 92 97 1 0 0 0 0\n 93 94 1 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 97 98 1 0 0 0 0\n107 97 1 0 0 0 0\n 98 99 1 0 0 0 0\n 99100 1 0 0 0 0\n 99101 1 0 0 0 0\n102 99 1 0 0 0 0\n102103 1 0 0 0 0\n102104 1 0 0 0 0\n104105 1 0 0 0 0\n104106 1 0 0 0 0\n104107 1 0 0 0 0\n109108 1 0 0 0 0\n108113 2 0 0 0 0\n109110 2 0 0 0 0\n111110 1 0 0 0 0\n110130 1 0 0 0 0\n112111 2 0 0 0 0\n113112 1 0 0 0 0\n112114 1 0 0 0 0\n114115 1 0 0 0 0\n114119 1 0 0 0 0\n115116 1 0 0 0 0\n116117 1 0 0 0 0\n117118 1 0 0 0 0\n119120 1 0 0 0 0\n129119 1 0 0 0 0\n120121 1 0 0 0 0\n121122 1 0 0 0 0\n121123 1 0 0 0 0\n124121 1 0 0 0 0\n124125 1 0 0 0 0\n124126 1 0 0 0 0\n126127 1 0 0 0 0\n126128 1 0 0 0 0\n126129 1 0 0 0 0\n130131 1 0 0 0 0\n130135 1 0 0 0 0\n131132 1 0 0 0 0\n132133 1 0 0 0 0\n133134 1 0 0 0 0\n135136 1 0 0 0 0\n145135 1 0 0 0 0\n136137 1 0 0 0 0\n137138 1 0 0 0 0\n137139 1 0 0 0 0\n140137 1 0 0 0 0\n140141 1 0 0 0 0\n140142 1 0 0 0 0\n142143 1 0 0 0 0\n142144 1 0 0 0 0\n142145 1 0 0 0 0\n146147 2 0 0 0 0\n147148 1 0 0 0 0\n147149 1 0 0 0 0\n149150 1 0 0 0 0\n149154 1 0 0 0 0\n150151 1 0 0 0 0\n151152 1 0 0 0 0\n152153 1 0 0 0 0\n154155 1 0 0 0 0\n164154 1 0 0 0 0\n155156 1 0 0 0 0\n156157 1 0 0 0 0\n156158 1 0 0 0 0\n159156 1 0 0 0 0\n159160 1 0 0 0 0\n159161 1 0 0 0 0\n161162 1 0 0 0 0\n161163 1 0 0 0 0\n161164 1 0 0 0 0\nM END", "smiles": "CCCCN(C1CC(C)(C)N(C)C(C)(C)C1)c2nc(NCCCN(CCN(CCCNc3nc(nc(n3)N(CCCC)C4CC(C)(C)N(C)C(C)(C)C4)N(CCCC)C5CC(C)(C)N(C)C(C)(C)C5)c6nc(nc(n6)N(CCCC)C7CC(C)(C)N(C)C(C)(C)C7)N(CCCC)C8CC(C)(C)N(C)C(C)(C)C8)c9nc(nc(n9)N(CCCC)C%10CC(C)(C)N(C)C(C)(C)C%10)N(CCCC)C%11CC(C)(C)N(C)C(C)(C)C%11)nc(n2)N(CCCC)C%12CC(C)(C)N(C)C(C)(C)C%12", "formula": "C132H250N32", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "count_amount": { "type": "MOL RATIO", "average": 1, "units": "MOL RATIO", "uuid": "081ecf7b-c5ea-45d7-b3b8-161a52901bd9" }, "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "2285.6168", "optical_activity": "NONE", "stereo_centers": 0 } ], "definition_level": "COMPLETE", "uuid": "c7abb2a6-5289-42e1-bd04-26d70549f7e0", "version": "5", "structure": { "id": "5d4716a6-8bd9-4fe1-ba73-641b19d90dac", "molfile": "\n Marvin 01132104502D \n\n164175 0 0 0 0 999 V2000\n 0.3211 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9531 0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1282 1.3778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5476 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2953 1.2533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3672 2.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6914 2.5483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0563 2.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.4541 -0.1638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1149 2.4238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7321 2.6729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.5164 5.1385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2641 4.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.3360 3.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6602 3.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0875 3.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.1594 4.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9812 4.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6326 5.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.6128 5.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.0860 4.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4445 5.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1423 1.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.3946 0.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7188 1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7907 1.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5384 2.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.2142 1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6874 2.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.0361 1.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.9214 -0.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7432 -0.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.8181 0.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4798 2.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5517 1.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2994 1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9752 1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1868 3.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5110 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5829 4.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3306 4.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3829 -0.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1582 -0.4179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.7901 -0.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5654 -0.6660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -4.0541 -2.0088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -4.1974 -1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.9726 -0.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -5.6046 -1.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.4614 -2.2569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -4.6861 -2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -4.5428 -3.3516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2171 -4.1981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3604 -3.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1356 -3.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.7676 -3.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.6243 -4.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8491 -4.7284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.3188 -5.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.1313 -5.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.0782 -2.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.5479 -3.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4419 -4.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1748 -3.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.9501 -3.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5821 -4.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4388 -4.9425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.3799 -1.1623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -8.2758 -2.7532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -7.5006 -3.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.8686 -2.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.0118 -1.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7871 -1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.4191 -1.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -9.2315 -2.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.9494 -1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.9703 -3.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.7827 -3.8106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.9078 -3.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -6.5231 -0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.2984 -0.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -7.4416 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -8.2169 1.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1572 -1.4228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8716 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5861 -1.4228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5861 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.8716 -2.6603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1572 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.7284 -0.1978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3006 -2.6603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4427 -2.6603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4427 -5.1353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2718 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2718 -3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4427 -3.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1572 -3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.1572 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.9822 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.5697 -5.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6843 -5.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0968 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.4427 -5.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4440 -1.4228 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7295 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0151 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0151 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7295 -2.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.4440 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8565 -2.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.2690 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3170 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1420 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1585 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2718 -2.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.2718 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.9862 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.7007 -1.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3006 -3.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5861 -3.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5861 -4.7228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3006 -5.1353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.3604 0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1356 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.7676 0.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.5428 0.2984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.0316 1.6412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1748 0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.9501 0.5466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5821 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.4388 1.8893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.6636 2.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5203 2.9840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.1946 3.8305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 3.3378 3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1131 2.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7451 3.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.6018 4.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8265 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.2962 4.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.1087 5.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0557 2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.5254 2.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.4193 4.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1523 3.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9275 3.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5595 3.7624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.4163 4.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3573 0.7947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.7871 -1.6427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0118 -1.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8686 -0.5481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5006 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.2758 -0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4191 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9494 -1.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.2315 -0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1994 -1.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7297 -2.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9304 -2.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9893 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.8460 2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4780 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.3348 3.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0 0 0 0\n 3 4 1 0 0 0 0\n 4 5 2 0 0 0 0\n 5 6 1 0 0 0 0\n 6 7 2 0 0 0 0\n 7 8 1 0 0 0 0\n 3 8 2 0 0 0 0\n 4 9 1 0 0 0 0\n 6 10 1 0 0 0 0\n 8 11 1 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 1 0 0 0 0\n 16 17 1 0 0 0 0\n 12 17 1 0 0 0 0\n 17 18 1 0 0 0 0\n 17 19 1 0 0 0 0\n 13 20 1 0 0 0 0\n 13 21 1 0 0 0 0\n 12 22 1 0 0 0 0\n 11 15 1 0 0 0 0\n 23 24 1 0 0 0 0\n 24 25 1 0 0 0 0\n 25 26 1 0 0 0 0\n 26 27 1 0 0 0 0\n 27 28 1 0 0 0 0\n 23 28 1 0 0 0 0\n 28 29 1 0 0 0 0\n 28 30 1 0 0 0 0\n 24 31 1 0 0 0 0\n 24 32 1 0 0 0 0\n 23 33 1 0 0 0 0\n 10 26 1 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 1 0 0 0 0\n 36 37 1 0 0 0 0\n 11 34 1 0 0 0 0\n 38 39 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 10 38 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 46 47 1 0 0 0 0\n 47 48 2 0 0 0 0\n 48 49 1 0 0 0 0\n 49 50 2 0 0 0 0\n 50 51 1 0 0 0 0\n 46 51 2 0 0 0 0\n 53 54 1 0 0 0 0\n 54 55 1 0 0 0 0\n 55 56 1 0 0 0 0\n 56 57 1 0 0 0 0\n 57 58 1 0 0 0 0\n 53 58 1 0 0 0 0\n 58 59 1 0 0 0 0\n 58 60 1 0 0 0 0\n 54 61 1 0 0 0 0\n 54 62 1 0 0 0 0\n 53 63 1 0 0 0 0\n 52 56 1 0 0 0 0\n 64 65 1 0 0 0 0\n 65 66 1 0 0 0 0\n 66 67 1 0 0 0 0\n 52 64 1 0 0 0 0\n 51 52 1 0 0 0 0\n 69 70 1 0 0 0 0\n 70 71 1 0 0 0 0\n 71 72 1 0 0 0 0\n 72 73 1 0 0 0 0\n 73 74 1 0 0 0 0\n 69 74 1 0 0 0 0\n 74 75 1 0 0 0 0\n 74 76 1 0 0 0 0\n 70 77 1 0 0 0 0\n 70 78 1 0 0 0 0\n 69 79 1 0 0 0 0\n 68 72 1 0 0 0 0\n 80 81 1 0 0 0 0\n 81 82 1 0 0 0 0\n 82 83 1 0 0 0 0\n 68 80 1 0 0 0 0\n 49 68 1 0 0 0 0\n 45 47 1 0 0 0 0\n 44 45 1 0 0 0 0\n 9 42 1 0 0 0 0\n 1 9 1 0 0 0 0\n 84 85 1 0 0 0 0\n 85 86 2 0 0 0 0\n 86 87 1 0 0 0 0\n 87 88 2 0 0 0 0\n 88 89 1 0 0 0 0\n 84 89 2 0 0 0 0\n 85 90 1 0 0 0 0\n 87 91 1 0 0 0 0\n 89 92 1 0 0 0 0\n 93 94 1 0 0 0 0\n 94 95 1 0 0 0 0\n 95 96 1 0 0 0 0\n 96 97 1 0 0 0 0\n 97 98 1 0 0 0 0\n 93 98 1 0 0 0 0\n 98 99 1 0 0 0 0\n 98100 1 0 0 0 0\n 94101 1 0 0 0 0\n 94102 1 0 0 0 0\n 93103 1 0 0 0 0\n 92 96 1 0 0 0 0\n104105 1 0 0 0 0\n105106 1 0 0 0 0\n106107 1 0 0 0 0\n107108 1 0 0 0 0\n108109 1 0 0 0 0\n104109 1 0 0 0 0\n109110 1 0 0 0 0\n109111 1 0 0 0 0\n105112 1 0 0 0 0\n105113 1 0 0 0 0\n104114 1 0 0 0 0\n 91107 1 0 0 0 0\n115116 1 0 0 0 0\n116117 1 0 0 0 0\n117118 1 0 0 0 0\n 92115 1 0 0 0 0\n119120 1 0 0 0 0\n120121 1 0 0 0 0\n121122 1 0 0 0 0\n 91119 1 0 0 0 0\n123124 1 0 0 0 0\n124125 1 0 0 0 0\n127128 1 0 0 0 0\n128129 2 0 0 0 0\n129130 1 0 0 0 0\n130131 2 0 0 0 0\n131132 1 0 0 0 0\n127132 2 0 0 0 0\n134135 1 0 0 0 0\n135136 1 0 0 0 0\n136137 1 0 0 0 0\n137138 1 0 0 0 0\n138139 1 0 0 0 0\n134139 1 0 0 0 0\n139140 1 0 0 0 0\n139141 1 0 0 0 0\n135142 1 0 0 0 0\n135143 1 0 0 0 0\n134144 1 0 0 0 0\n133137 1 0 0 0 0\n145146 1 0 0 0 0\n146147 1 0 0 0 0\n147148 1 0 0 0 0\n133145 1 0 0 0 0\n132133 1 0 0 0 0\n150151 1 0 0 0 0\n151152 1 0 0 0 0\n152153 1 0 0 0 0\n153154 1 0 0 0 0\n154155 1 0 0 0 0\n150155 1 0 0 0 0\n155156 1 0 0 0 0\n155157 1 0 0 0 0\n151158 1 0 0 0 0\n151159 1 0 0 0 0\n150160 1 0 0 0 0\n149153 1 0 0 0 0\n161162 1 0 0 0 0\n162163 1 0 0 0 0\n163164 1 0 0 0 0\n149161 1 0 0 0 0\n130149 1 0 0 0 0\n126128 1 0 0 0 0\n125126 1 0 0 0 0\n 90123 1 0 0 0 0\n 2 90 1 0 0 0 0\nM END", "smiles": "CCCCN(C1CC(C)(C)N(C)C(C)(C)C1)c2nc(NCCCN(CCN(CCCNc3nc(nc(n3)N(CCCC)C4CC(C)(C)N(C)C(C)(C)C4)N(CCCC)C5CC(C)(C)N(C)C(C)(C)C5)c6nc(nc(n6)N(CCCC)C7CC(C)(C)N(C)C(C)(C)C7)N(CCCC)C8CC(C)(C)N(C)C(C)(C)C8)c9nc(nc(n9)N(CCCC)C%10CC(C)(C)N(C)C(C)(C)C%10)N(CCCC)C%11CC(C)(C)N(C)C(C)(C)C%11)nc(n2)N(CCCC)C%12CC(C)(C)N(C)C(C)(C)C%12", "formula": "C132H250N32", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "2285.6168", "optical_activity": "NONE", "references": [ "5d0d7d30-71c1-48aa-b73f-4a0042069f46", "817aa32f-84f4-42b5-b105-b5b413d51692" ], "stereo_centers": 0 }, "unii": "UBL01213LI" } ] }