[
  {
    "molid": "mol15833",
    "smiles": "Ic1nnn[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Ic1nnn[nH]1",
        "std_free_energy": -2.2319467067718506,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Ic1nn[nH+][nH]1",
        "std_free_energy": 12.432708740234375,
        "relative_population": 0.15693499409831035
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Ic1[nH]nn[nH+]1",
        "std_free_energy": 11.32412338256836,
        "relative_population": 0.47552384452495594
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Ic1n[nH+]n[nH]1",
        "std_free_energy": 11.581705093383789,
        "relative_population": 0.3675411613767337
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Ic1nnn[n-]1",
        "std_free_energy": -11.149349212646484,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.8499999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": -4.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]