[
  {
    "molid": "mol34378",
    "smiles": "COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)N1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1O)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)N1C",
        "std_free_energy": -2.9818501472473145,
        "relative_population": 0.7281483570158805
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc2c(cc1[O-])[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)[NH+]1C",
        "std_free_energy": -1.9966018199920654,
        "relative_population": 0.27185164298411957
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2c(cc1[O-])[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)N1C",
        "std_free_energy": 4.181303024291992,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.80000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]