[
  {
    "molid": "mol37323",
    "smiles": "O[C@H]1CCc2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@H]1CCc2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1O",
        "std_free_energy": -6.676979064941406,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O[C@H]1c2ccc3cc4ccc5ccccc5c4nc3c2CC[C@@H]1[OH2+]",
        "std_free_energy": 1.8301821947097778,
        "relative_population": 0.05473332092902592
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O[C@H]1CCc2c(ccc3cc4ccc5ccccc5c4[nH+]c23)[C@@H]1O",
        "std_free_energy": -0.9855610132217407,
        "relative_population": 0.91435224869059
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.55999994277954,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]