[
  {
    "molid": "mol25238",
    "smiles": "Cn1cc(N)nn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc(N)nn1",
        "std_free_energy": -6.780792713165283,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cc([NH3+])nn1",
        "std_free_energy": 1.5669925212860107,
        "relative_population": 0.3336214990430169
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1cc(N)n[nH+]1",
        "std_free_energy": 1.7755389213562012,
        "relative_population": 0.2708217116841641
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1cc(N)[nH+]n1",
        "std_free_energy": 1.3967052698135376,
        "relative_population": 0.395556789272819
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]