[
  {
    "molid": "mol5784",
    "smiles": "CC(C)NC(=N)NC(=N)Nc1ccc(I)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)NC(=N)NC(=N)Nc1ccc(I)cc1",
        "std_free_energy": -0.2740553021430969,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)NC(=[N-])NC(=N)Nc1ccc(I)cc1",
        "std_free_energy": 8.869247436523438,
        "relative_population": 0.5654159159466805
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)NC(=N)NC(=[N-])Nc1ccc(I)cc1",
        "std_free_energy": 9.13241958618164,
        "relative_population": 0.4345840840533195
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]