[
  {
    "molid": "mol30194",
    "smiles": "CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I",
        "std_free_energy": -1.8361191749572754,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I",
        "std_free_energy": -11.140931129455566,
        "relative_population": 0.9999597747528309
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]