[
  {
    "molid": "mol16058",
    "smiles": "O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1",
        "std_free_energy": -3.251424551010132,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1",
        "std_free_energy": -8.144536018371582,
        "relative_population": 0.9772473127523505
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]