[
  {
    "molid": "mol25245",
    "smiles": "Nc1n[nH]c(O)n1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1n[nH]c(O)n1",
        "std_free_energy": -6.031665325164795,
        "relative_population": 0.9999941937974912
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1n[nH]c([O-])n1",
        "std_free_energy": 0.1514551341533661,
        "relative_population": 0.7081816630632118
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1n[n-]c(O)n1",
        "std_free_energy": 1.0380243062973022,
        "relative_population": 0.2918183369367881
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]