[
  {
    "molid": "mol18259",
    "smiles": "CCC12CC3CC(CC(N)(C3)C1)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@]12C[C@@H]3C[C@@H](C[C@@](N)(C3)C1)C2",
        "std_free_energy": -1.3210601806640625,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@]12C[C@@H]3C[C@@H](C[C@@]([NH3+])(C3)C1)C2",
        "std_free_energy": -8.41668701171875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]