[
  {
    "molid": "mol13971",
    "smiles": "CC(C)(C)N1NC2CCC1C21CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)N1N[C@@H]2CC[C@H]1C21CC1",
        "std_free_energy": -1.4417965412139893,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)[NH+]1N[C@@H]2CC[C@H]1C21CC1",
        "std_free_energy": -7.824963569641113,
        "relative_population": 0.636993306774551
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(C)(C)N1[NH2+][C@@H]2CC[C@H]1C21CC1",
        "std_free_energy": -7.262625694274902,
        "relative_population": 0.363006693225449
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.33,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.3299999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]