[B068-2]PCC分子结构预测-获取结果

{
  "data": {
    "job_id": "613845b4-83d0-4ac1-8116-5113736faab0",
    "status": "completed",
    "molecules": [
      {
        "rank": 1,
        "smiles": "CC[C@H]1CCC[C@]1(N)COc1cc(-c2cnc3cccc(C#N)n23)cc(SC)c1C#N",
        "example": "6B",
        "molecule_id": "6B",
        "example_page": "P28",
        "key_data_page": "P51",
        "molecule_image": "#123",
        "molecule_id_page": "P28",
        "recommend_reason": "...",
        "key_data_highlights": "SIK1 IC₅₀: 0.1 nM, TNFα IC₅₀: 0.5 nM, IL10 EC₅₀: 2 nM"
      }
    ],
    "patent_no": "US20240124450A1",
    "admet_predictions": [
      {
        "hba": 7,
        "hbd": 1,
        "logp": 4.75,
        "tpsa": 100.13,
        "compound_id": "6B",
        "molecular_weight": 431.57
      }
    ],
    "structure_optimization": "立体构型的关键性..."
  },
  "status": true,
  "error_code": 0
}