[
  {
    "molid": "mol15903",
    "smiles": "O=C(O)/C=N/O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)/C=N/O",
        "std_free_energy": -3.038290500640869,
        "relative_population": 0.9958767502100033
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])/C=N/O",
        "std_free_energy": -10.718245506286621,
        "relative_population": 0.9996034143991925
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C=N/[O-]",
        "std_free_energy": -2.1033377647399902,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.23,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 10.2299995422363,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]