[
  {
    "molid": "mol30094",
    "smiles": "C[C@@]1(O)c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([N+](C)(C)C)[C@@H]3C[C@@H]21",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@]1(O)c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([N+](C)(C)C)[C@@H]3C[C@@H]21",
        "std_free_energy": -3.758014440536499,
        "relative_population": 0.1274772188963518
      },
      {
        "id": "-1_8",
        "charge": -1,
        "smiles": "C[C@@]1(O)c2cccc(O)c2C(=O)C2=C([O-])[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([N+](C)(C)C)[C@@H]3C[C@@H]21",
        "std_free_energy": -5.588077545166016,
        "relative_population": 0.7947286836205999
      },
      {
        "id": "-2_8",
        "charge": -2,
        "smiles": "C[C@@]1(O)c2cccc([O-])c2C(=O)C2=C([O-])[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([N+](C)(C)C)[C@@H]3C[C@@H]21",
        "std_free_energy": -2.8522226810455322,
        "relative_population": 0.9187262100664969
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]