[
  {
    "molid": "mol9736",
    "smiles": "CCOC(=O)c1n[nH]c(=O)[nH]c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)c1n[nH]c(=O)[nH]c1=O",
        "std_free_energy": -4.465550422668457,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)c1n[nH]c(=O)[n-]c1=O",
        "std_free_energy": -5.6482014656066895,
        "relative_population": 0.5980562651464326
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)c1n[n-]c(=O)[nH]c1=O",
        "std_free_energy": -5.250828742980957,
        "relative_population": 0.4019437348535674
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]