[
  {
    "molid": "mol7182",
    "smiles": "CC(C)(C)Nc1ncccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)Nc1ncccn1",
        "std_free_energy": -7.205419063568115,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)[NH2+]c1ncccn1",
        "std_free_energy": -2.068563938140869,
        "relative_population": 0.6558866305827413
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(C)Nc1nccc[nH+]1",
        "std_free_energy": -1.4235471487045288,
        "relative_population": 0.3441133694172587
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.23,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]