[
  {
    "molid": "mol22380",
    "smiles": "O=C(O)/C(=N/O)c1cccs1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)/C(=N/O)c1cccs1",
        "std_free_energy": -3.1450889110565186,
        "relative_population": 0.9991570394705364
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])/C(=N/O)c1cccs1",
        "std_free_energy": -11.338911056518555,
        "relative_population": 0.9997978769167495
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]