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The downloadable file contains 2D structures for all released NSCs. The file SD file also include below compound information, and can also be downloaded individually.

  • CAS Number
  • PucChem SID
  • SMILES Strings
  • Chemical Names

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Other Compound Identifiers

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IdentifierFile SizeLinkVersion
CAS Numbers3.7 MBnsc_cas.csvMarch 2024
PubChem SID & CID6.9 MBnsc_sid_cid.csvMarch 2024
SMILES Strings16 MBnsc_smiles.csvMarch 2024
Chemical Names11 MBnsc_chemcal_name.csvMarch 2024

Old Versions

NSC_CAS_Sept2013.csv  NSC to CAS number.  We only have CAS number for 130,893 NSCs.

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