[
  {
    "molid": "mol19545",
    "smiles": "COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(cc1[O-])CC[n+]1cc3c(OC)c(OC)ccc3cc1-2",
        "std_free_energy": -2.541311264038086,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2c(cc1O)CC[n+]1cc3c(OC)c(OC)ccc3cc1-2",
        "std_free_energy": -5.83054256439209,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]