[
  {
    "molid": "mol7649",
    "smiles": "Cn1nncc1Br",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nncc1Br",
        "std_free_energy": -6.764973163604736,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1n[nH+]cc1Br",
        "std_free_energy": 7.239703178405762,
        "relative_population": 0.5312438092281767
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1[nH+]ncc1Br",
        "std_free_energy": 7.364841461181641,
        "relative_population": 0.46875619077182323
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.47,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]