[
  {
    "molid": "mol9378",
    "smiles": "Cc1c(O)[nH]c(=O)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(O)[nH]c(=O)[nH]c1=O",
        "std_free_energy": -4.508238315582275,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c([O-])[nH]c(=O)[nH]c1=O",
        "std_free_energy": -5.34288215637207,
        "relative_population": 0.691960726944829
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1c(O)[nH]c(=O)[n-]c1=O",
        "std_free_energy": -3.3219501972198486,
        "relative_population": 0.09170686515946276
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1c(O)[n-]c(=O)[nH]c1=O",
        "std_free_energy": -4.180169105529785,
        "relative_population": 0.2163324078957083
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]