[
  {
    "molid": "mol14086",
    "smiles": "C1CCC2(CC1)N1CCCN12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CCC2(CC1)N1CCCN12",
        "std_free_energy": -4.357529640197754,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CCC2(CC1)N1CCC[NH+]12",
        "std_free_energy": -1.5950462818145752,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.19,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.1900001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]