[
  {
    "molid": "mol32792",
    "smiles": "c1ccc(C2CN3CCCC3c3ccccc32)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1",
        "std_free_energy": -2.2477798461914062,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc([C@@H]2C[NH+]3CCC[C@@H]3c3ccccc32)cc1",
        "std_free_energy": -8.316070556640625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1199999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]