[
  {
    "molid": "mol6499",
    "smiles": "Cc1cccc(C(C)O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc([C@H](C)O)n1",
        "std_free_energy": -6.078724384307861,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc([C@H](C)O)[nH+]1",
        "std_free_energy": -3.396526336669922,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cccc([C@H](C)[O-])n1",
        "std_free_energy": 12.384210586547852,
        "relative_population": 0.15139120599210665
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cccc([C-](C)O)n1",
        "std_free_energy": 10.660479545593262,
        "relative_population": 0.8486087940078932
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]