[
  {
    "molid": "mol1461",
    "smiles": "C[C@@H]1[C@@H](C)C(C)(C)NC1(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1[C@@H](C)C(C)(C)NC1(C)C",
        "std_free_energy": 0.25587376952171326,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1[C@@H](C)C(C)(C)[NH2+]C1(C)C",
        "std_free_energy": -9.883413314819336,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]