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The downloadable file contains 2D structures as MDL text in an SD file for all released NSCs. The file SD file also include includes the below compound information. These data can be downloaded individually in separate files, as shown in the Other Compound Identifiers table.

  • CAS Number
  • PucChem PubChem 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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