[
  {
    "molid": "mol37344",
    "smiles": "O[C@@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O[C@@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@H]1O",
        "std_free_energy": -6.750282287597656,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O[C@@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@H]1[OH2+]",
        "std_free_energy": 1.4600855112075806,
        "relative_population": 0.10906491175579798
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O[C@@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4[nH+]c23)[C@H]1O",
        "std_free_energy": -0.4884387254714966,
        "relative_population": 0.7654527297323299
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O[C@@H]1c2ccc3cc4ccc5ccccc5c4nc3c2[C@@H]2O[C@@H]2[C@H]1[OH2+]",
        "std_free_energy": 1.3198635578155518,
        "relative_population": 0.12548235851187212
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.850000023841858,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]