| 項目名 | 項目の説明 |
|---|---|
| HET_Code |
HET Code for the ligand |
| SimilarPockets |
Internal id of site binding the ligand |
| JaccardIndex(MACCS) |
Jaccard Index between ligand and target site (with MACCS) |
| JaccardIndex(FP2) |
Jaccard Index between ligand and target site (with FP2) |
| InChi_Key |
InChIKey of binding molocular |
| CanonicalSmiles |
Canonical SMILES of binding molocular |