[
  {
    "molid": "mol14670",
    "smiles": "COCc1nc2c(n1C)C(=O)c1ncnc(O)c1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COCc1nc2c(n1C)C(=O)c1ncnc(O)c1C2=O",
        "std_free_energy": -4.853740692138672,
        "relative_population": 0.9999942710427109
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COCc1nc2c(n1C)C(=O)c1ncnc([O-])c1C2=O",
        "std_free_energy": -5.8899383544921875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.17,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.1700001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]