[
  {
    "molid": "mol23443",
    "smiles": "O=C(O)/C(S)=C/C=C/c1ccccc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])/C(S)=C/C=C/c1ccccc1",
        "std_free_energy": -10.078279495239258,
        "relative_population": 0.9862099023515862
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C([S-])=C/C=C/c1ccccc1",
        "std_free_energy": -6.280787467956543,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.96,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]