package info
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Folder: files
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.. (parent) | |||
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- | rw-r--r-- | 5,602 | 3d.head.2.cml |
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- | rw-r--r-- | 2,272 | FormulaTest.smi |
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- | rw-r--r-- | 1,215 | aromatics.smi |
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- | rw-r--r-- | 16,000 | attype.00.smi |
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- | rw-r--r-- | 14,631 | filterset.sdf |
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- | rw-r--r-- | 42,430 | forcefield.sdf |
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- | rw-r--r-- | 10,722 | formalchargeresults.txt |
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- | rw-r--r-- | 7,280 | formularesults.txt |
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- | rw-r--r-- | 288 | ghemicalresults.txt |
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- | rw-r--r-- | 344 | invalid-smarts.txt |
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- | rw-r--r-- | 854 | invalid-smiles.txt |
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- | rw-r--r-- | 288 | mmff94results.txt |
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- | rw-r--r-- | 33,884 | nci.smi |
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- | rw-r--r-- | 105,004 | random |
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- | rw-r--r-- | 78,335 | random2 |
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- | rw-r--r-- | 100,862 | random3 |
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- | rw-r--r-- | 25,543 | ringresults.txt |
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- | rw-r--r-- | 397,045 | smartsresults.txt |
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- | rw-r--r-- | 790 | smartstest.txt |
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- | rw-r--r-- | 70 | svn-commit.tmp~ |
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- | rw-r--r-- | 626 | test2d.xyz |
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- | rw-r--r-- | 1,263 | test3d.xyz |
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- | rw-r--r-- | 288 | uffresults.txt |
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- | rw-r--r-- | 75 | unitcell.txt |
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- | rw-r--r-- | 120 | unitcell_results.txt |