[
  {
    "molid": "mol31263",
    "smiles": "O=C1OC(C(O)CO)C(O)=C1OP(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1O[C@@H]([C@H](O)CO)C([O-])=C1OP(=O)(O)O",
        "std_free_energy": -7.925312042236328,
        "relative_population": 0.1942974740154984
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C1O[C@@H]([C@H](O)CO)C(O)=C1OP(=O)([O-])O",
        "std_free_energy": -9.347636222839355,
        "relative_population": 0.805702474859489
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C1O[C@@H]([C@H](O)CO)C(O)=C1OP(=O)([O-])[O-]",
        "std_free_energy": -10.718624114990234,
        "relative_population": 0.1528945257055375
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=C1O[C@@H]([C@H](O)CO)C([O-])=C1OP(=O)([O-])O",
        "std_free_energy": -12.430700302124023,
        "relative_population": 0.8471048665079798
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.4,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]