[
  {
    "molid": "mol30205",
    "smiles": "CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@H]1C3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]3OC)[C@H](OC)C[C@H]2O",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 8.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]