[
  {
    "molid": "mol14589",
    "smiles": "Cn1c(=O)c2[nH]c([N+](=O)[O-])nc2n(C)c1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1c(=O)c2[nH]c([N+](=O)[O-])nc2n(C)c1=O",
        "std_free_energy": -3.05507493019104,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(=O)c2[n-]c([N+](=O)[O-])nc2n(C)c1=O",
        "std_free_energy": -9.177688598632812,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 3.5799999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]