[
  {
    "molid": "mol266",
    "smiles": "CN(C)CCCC(C)(C)c1ccc(C(C)(C)C)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCCC(C)(C)c1ccc(C(C)(C)C)cc1",
        "std_free_energy": -1.1818466186523438,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+](C)CCCC(C)(C)c1ccc(C(C)(C)C)cc1",
        "std_free_energy": -8.806211471557617,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]