[
  {
    "molid": "mol32234",
    "smiles": "c1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1",
        "std_free_energy": -2.2038631439208984,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc([C@H]2C[NH+]3CCC[C@H]3c3ccccc32)cc1",
        "std_free_energy": -8.31606674194336,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.11999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]