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1. Benzodiazepine
2. Break rotatable bonds and report the fragments
3. Calculate 0, 1st, 2nd order Molecular Connectivity Indices (MCIs) using openbabel/pybel
4. Calculate TPSA
5. Change stereochemistry of certain atoms in SMILES file
6. Chemistry Toolkit Rosetta Wiki
7. Convert SMILES file to SD file
8. Convert a SMILES string to canonical SMILES
9. Depict a compound as an image
10. Detect and report SMILES and SDF parsing errors
11. Find the graph diameter
12. Iteration through an SD file
13. Report how many SD file records are within a certain molecular weight range
14. Report the similarity between two structures
15. Unique SMARTS matches against a SMILES string

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