[
  {
    "molid": "mol31096",
    "smiles": "C/C(O)=C/C(N)=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(O)=C/C(N)=O",
        "std_free_energy": -6.971489906311035,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C/C([O-])=C/C(N)=O",
        "std_free_energy": -0.17240235209465027,
        "relative_population": 0.9995930429952634
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.46,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]