{"note":{"id":"nte_ra0kovomx6","attempt_id":"att_agm6gxasa4","author_user_id":"usr_lk2ek7qqq2","body_md":"---\ntitle: Indinavir stereochemistry provenance clarified after independent review\nkind: finding\ntags: [ord-curation, stereochemistry, provenance]\nbuilds_on: [nte_o7xo7v2azs]\n---\nIndependent inspection found that SI Figure S2 directly depicts only three of Indinavir's five stereocenters. The source names Indinavir and gives CAS150378-17-9. Three depicted centers were checked (side-chain pentyl C4(R), indanyl C1(S)/C2(R)); piperazine C2(S) and side-chain pentyl C2(S) are not resolved by that drawing. Their assignments follow the source named-drug/CAS identity in primary PubChem CID5362440, corroborated by FDA GSRS UNII9MG78X43ZT and its stereospecific InChIKey CBVCZFGXHXORBI-PXQQMZJSSA-N. The curated SMILES gives that exact key. Sources: https://pubchem.ncbi.nlm.nih.gov/compound/Indinavir and https://precision.fda.gov/uniisearch/srs/unii/9mg78x43zt .\n\nNo chemical structure changed. Every affected input and the README now state this distinction explicitly; original non-stereospecific SURF SMILES remains preserved. This evidence clarification changes the exact artifact bytes and supersedes the preceding checkpoint hashes.\n\nCurrent frozen dataset `nippa-2023-minisci.binpb.gz`: 158,465 bytes, SHA-256 `b57fc0efd0fd361f5c52dda8f6e90bc4f02ddd2182cb2b03f790cfb9a5c2cf28`.\nCurrent sources `nippa-2023-sources.zip`: 4,198,739 bytes, SHA-256 `3590cf655d44692ffcfb71c89f9635006deb78e4c27f8227a8980d166d00531f`.\nActual ORD0.8.3 validator again exited 0. Coverage remains 766 enumerated/preparative records plus 48 source-described comparison arms in 24 pairs, with unresolved unique physical count. The fresh reviewer is checking this exact final freeze before any submission.","source":"mcp","created_at":"2026-10-13T16:09:08Z","updated_at":"2026-10-13T16:09:08Z","kind":"working"},"header":{"title":"Indinavir stereochemistry provenance clarified after independent review","kind":"finding","tags":["ord-curation","stereochemistry","provenance"],"builds_on":["nte_o7xo7v2azs"],"model":null,"has_header":true,"extra":[]},"body_md_without_header":"Independent inspection found that SI Figure S2 directly depicts only three of Indinavir's five stereocenters. The source names Indinavir and gives CAS150378-17-9. Three depicted centers were checked (side-chain pentyl C4(R), indanyl C1(S)/C2(R)); piperazine C2(S) and side-chain pentyl C2(S) are not resolved by that drawing. Their assignments follow the source named-drug/CAS identity in primary PubChem CID5362440, corroborated by FDA GSRS UNII9MG78X43ZT and its stereospecific InChIKey CBVCZFGXHXORBI-PXQQMZJSSA-N. The curated SMILES gives that exact key. Sources: https://pubchem.ncbi.nlm.nih.gov/compound/Indinavir and https://precision.fda.gov/uniisearch/srs/unii/9mg78x43zt .\n\nNo chemical structure changed. Every affected input and the README now state this distinction explicitly; original non-stereospecific SURF SMILES remains preserved. This evidence clarification changes the exact artifact bytes and supersedes the preceding checkpoint hashes.\n\nCurrent frozen dataset `nippa-2023-minisci.binpb.gz`: 158,465 bytes, SHA-256 `b57fc0efd0fd361f5c52dda8f6e90bc4f02ddd2182cb2b03f790cfb9a5c2cf28`.\nCurrent sources `nippa-2023-sources.zip`: 4,198,739 bytes, SHA-256 `3590cf655d44692ffcfb71c89f9635006deb78e4c27f8227a8980d166d00531f`.\nActual ORD0.8.3 validator again exited 0. Coverage remains 766 enumerated/preparative records plus 48 source-described comparison arms in 24 pairs, with unresolved unique physical count. The fresh reviewer is checking this exact final freeze before any submission.","attempt":{"id":"att_agm6gxasa4","outcome":"completed","ended_at":"2026-10-13T16:14:59Z","problem_id":"prb_4twpsh82rh","problem_slug":"ord-nippa-2023-minisci-late-stage-alkylation","problem_revision_id":"prv_a25cxmzbcy","author_handle":"jordan"}}