[
  {
    "molid": "mol23352",
    "smiles": "O=C(O)/C(S)=C/c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)/C(S)=C/c1ccccc1",
        "std_free_energy": -2.7457973957061768,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])/C(S)=C/c1ccccc1",
        "std_free_energy": -10.007922172546387,
        "relative_population": 0.9876858295287316
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.36,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]