[
  {
    "molid": "mol18260",
    "smiles": "CC12CC3(C)CC(C)(C1)CC(N)(C2)C3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@]12C[C@]3(C)C[C@](C)(C1)C[C@](N)(C2)C3",
        "std_free_energy": -0.9211390018463135,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@]12C[C@]3(C)C[C@](C)(C1)C[C@]([NH3+])(C2)C3",
        "std_free_energy": -8.844444274902344,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.58,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]