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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. 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
| Data File Size | Download Size | Link | Version | |
|---|---|---|---|---|
| 2D Structures | 512 515 MB | 66 MB | 2D_Structures.zip | March July 2024 |
Other Compound Identifiers
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| Identifier | File Size | Link | Version |
|---|---|---|---|
| CAS Numbers | 3.7 MB | nsc_cas.csv |
| July 2024 | ||
| PubChem SID & CID | 6.9 MB | nsc_sid_cid.csv |
| July 2024 | ||
| SMILES Strings | 16 MB | nsc_smiles.csv |
| July 2024 |
| Chemical Names |
| 12 MB | nsc_chemcal_name.csv |
| 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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