Page History
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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, and . These data can also be downloaded individually in separate files, as shown in the Other Compound Identifiers table.
- CAS Number
- PucChem PubChem SID
- SMILES Strings
- Chemical Names
Data File Size | Download Size | Link | Version | |
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2D Structures | 512 515 MB | 66 MB | 2D_Structures.zip | March July 2024 |
Other Compound Identifiers
Identifier | File Size | Link | Version |
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CAS Numbers | 3.7 MB | nsc_cas.csv | March July 2024 |
PubChem SID & CID | 6.9 MB | nsc_sid_cid.csv | March July 2024 |
SMILES Strings | 16 MB | nsc_smiles.csv | March July 2024 |
Chemical Names | 11 12 MB | nsc_chemcal_name.csv | March July 2024 |
Old Versions
NSC_CAS_Sept2013.csv NSC to CAS number. We only have CAS number for 130,893 NSCs.
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