[
  {
    "molid": "mol9943",
    "smiles": "O=C(O)c1cc(=O)c(O)c(C(=O)O)o1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])c1cc(=O)c([O-])c(C(=O)[O-])o1",
        "std_free_energy": -5.738383769989014,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)c1cc(=O)c(O)c(C(=O)[O-])o1",
        "std_free_energy": -6.27931547164917,
        "relative_population": 0.3742413833694071
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])c1cc(=O)c(O)c(C(=O)O)o1",
        "std_free_energy": -6.775143623352051,
        "relative_population": 0.6144509783759488
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])c1cc(=O)c(O)c(C(=O)[O-])o1",
        "std_free_energy": -14.754688262939453,
        "relative_population": 0.9985793245218335
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.13,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.1,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]