[
  {
    "molid": "mol10609",
    "smiles": "Cc1nc2c([nH]c1=O)c(=O)[nH]c(=O)n2C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2c([nH]c1=O)c(=O)[nH]c(=O)n2C",
        "std_free_energy": -5.369327068328857,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2c([nH]c1=O)c(=O)[n-]c(=O)n2C",
        "std_free_energy": -2.0106732845306396,
        "relative_population": 0.18971295390591109
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1nc2c([n-]c1=O)c(=O)[nH]c(=O)n2C",
        "std_free_energy": -3.4625496864318848,
        "relative_population": 0.810287046094089
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1nc2c([n-]c1=O)c(=O)[n-]c(=O)n2C",
        "std_free_energy": 6.145748138427734,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]