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Natural Product Data

Data SetReleased onNatural Product SetDownload LinkFile Size
All Natural Products Metadata (XML) Details
  • 2024-09-15
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  • NP0000001-NP0050000
  • NP0050001-NP0100000
  • NP0100001-NP0150000
  • NP0150001-NP0200000
  • NP0200001-NP0250000
  • NP0250001-NP0300000
  • NP0300001-NP0350000
  • 30 MB
  • 25 MB
  • 9.95 MB
  • 37.9 MB
  • 36.8 MB
  • 37.3 MB
  • 26.9 MB
All Natural Products Metadata (JSON) Details
  • 2024-09-15
  • 2024-09-15
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  • 2024-09-15
  • 2024-09-15
  • NP0000001-NP0050000
  • NP0050001-NP0100000
  • NP0100001-NP0150000
  • NP0150001-NP0200000
  • NP0200001-NP0250000
  • NP0250001-NP0300000
  • NP0300001-NP0350000
  • 31.2 MB
  • 25.7 MB
  • 10.2 MB
  • 38.9 MB
  • 37.8 MB
  • 38.3 MB
  • 27.7 MB

2D Structures (in SDF Format)

Data SetReleased onNatural Product SetDownload LinkFile Size
Natural Product Structures Details
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • NP0000001-NP0050000
  • NP0050001-NP0100000
  • NP0100001-NP0150000
  • NP0150001-NP0200000
  • NP0200001-NP0250000
  • NP0250001-NP0300000
  • NP0300001-NP0350000
  • 61.2 MB
  • 21.6 MB
  • 8.88 MB
  • 34.4 MB
  • 34.3 MB
  • 34.2 MB
  • 26.8 MB

Structures (in SMILES Format)

Data SetReleased onNatural Product SetDownload LinkFile Size
Natural Product Structures (CSV) Details
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • 2024-09-15
  • NP0000001-NP0050000
  • NP0050001-NP0100000
  • NP0100001-NP0150000
  • NP0150001-NP0200000
  • NP0200001-NP0250000
  • NP0250001-NP0300000
  • NP0300001-NP0350000
  • 1.47 MB
  • 950 KB
  • 595 KB
  • 2.6 MB
  • 2.61 MB
  • 2.61 MB
  • 1.84 MB

Backfilled Spectra

Data SetReleased onNatural Product Set Download LinkFile Size
NMR Spectra FID Files Details
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • NP0000001-NP0050000
  • NP0050001-NP0100000
  • NP0100001-NP0150000
  • NP0150001-NP0200000
  • NP0200001-NP0250000
  • NP0250001-NP0300000
  • NP0300001-NP0350000
  • 8.8 GB
  • 12 MB
  • 59 MB
  • 16 MB
  • 5.0 MB
  • 12 MB
  • 163 MB
NMR Spectra Chemical Shift Peaklist Files (TXT) Details
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • 2024-09-11
  • NP0000001-NP0050000
  • NP0050001-NP0100000
  • NP0100001-NP0150000
  • NP0150001-NP0200000
  • NP0200001-NP0250000
  • NP0250001-NP0300000
  • NP0300001-NP0350000
  • 45 MB
  • 42 MB
  • 16 MB
  • 55 MB
  • 51 MB
  • 55 MB
  • 29 MB
NMR Spectra Files (nmrML) Details
  • 2024-09-13
  • 2024-09-13
  • 2024-09-13
  • 2024-09-13
  • 2024-09-13
  • 2024-09-13
  • 2024-09-13
  • NP0000001-NP0050000
  • NP0050001-NP0100000
  • NP0100001-NP0150000
  • NP0150001-NP0200000
  • NP0200001-NP0250000
  • NP0250001-NP0300000
  • NP0300001-NP0350000
  • 7.1 GB
  • 9.5 GB
  • 20 GB
  • 35 GB
  • 32 GB
  • 22 GB
  • 35 GB
NMR Experimental Spectra Chemical Shift Assignment Files (CSV)  Details 2024-09-19All Natural Products Download453 KB
NMR Spectra JcampDX Files Details 2024-09-13All Natural Products Download27.2 GB

Unassigned Spectra

Data SetReleased onNatural Product Set Download LinkFile Size
NMR Peak List Files (CSV)  Details 2024-09-19All Natural Products Download158 KB
NMR Deposition Spectra FID Files  Details 2024-09-16All Natural Products Download12.8 GB
NMR Predicted Spectra (nmrML) Files  Details 2024-09-16All Natural Products Download2.69 GB