[
  {
    "molid": "mol26635",
    "smiles": "Nc1ccc2nc3c(N)cccc3cc2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2nc3c(N)cccc3cc2c1",
        "std_free_energy": -6.493258476257324,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc2[nH+]c3c(N)cccc3cc2c1",
        "std_free_energy": -2.007955312728882,
        "relative_population": 0.29742859036979746
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc2cc3cc([NH3+])ccc3nc12",
        "std_free_energy": -1.7256786823272705,
        "relative_population": 0.2242805073546322
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1ccc2nc3c([NH3+])cccc3cc2c1",
        "std_free_energy": -2.4830002784729004,
        "relative_population": 0.47829090227557036
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.11,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]