[
  {
    "molid": "mol2190",
    "smiles": "Cc1ncoc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ncoc1C(=O)O",
        "std_free_energy": -3.9927783012390137,
        "relative_population": 0.9995959341447577
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]coc1C(=O)O",
        "std_free_energy": 9.636114120483398,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ncoc1C(=O)[O-]",
        "std_free_energy": -11.116363525390625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.09,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -0.72,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]