[
  {
    "molid": "mol7161",
    "smiles": "CCNc1ncc(Br)cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNc1ncc(Br)cn1",
        "std_free_energy": -7.785468101501465,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCNc1ncc(Br)c[nH+]1",
        "std_free_energy": 1.4013904333114624,
        "relative_population": 0.37125303295980056
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC[NH2+]c1ncc(Br)cn1",
        "std_free_energy": 0.8745453953742981,
        "relative_population": 0.6287469670401995
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]