[
  {
    "molid": "mol37875",
    "smiles": "COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3C[N+]1(C)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c([O-])c3C[N@+]1(C)CC2",
        "std_free_energy": -3.3549721240997314,
        "relative_population": 0.4962831824211775
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc2c(cc1[O-])[C@@H]1Cc3ccc(OC)c(O)c3C[N@+]1(C)CC2",
        "std_free_energy": -3.369839668273926,
        "relative_population": 0.5037168175788224
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3C[N@+]1(C)CC2",
        "std_free_energy": -8.480813980102539,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39999961853027,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]