[
  {
    "molid": "mol37812",
    "smiles": "COc1cc2c(cc1OC)[C@@H]1CCN3CCC[C@@H]3N1CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1OC)[C@@H]1CCN3CCC[C@@H]3N1CC2",
        "std_free_energy": -3.270158052444458,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2c(cc1OC)[C@@H]1CCN3CCC[C@@H]3[NH+]1CC2",
        "std_free_energy": -6.819868087768555,
        "relative_population": 0.27418973574900346
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1cc2c(cc1OC)[C@@H]1CC[NH+]3CCC[C@@H]3N1CC2",
        "std_free_energy": -7.793336391448975,
        "relative_population": 0.7258102642509965
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]