[
  {
    "molid": "mol31419",
    "smiles": "O=S(=O)(NO)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=S(=O)(NO)c1ccccc1",
        "std_free_energy": -6.635433673858643,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=S(=O)([N-]O)c1ccccc1",
        "std_free_energy": 0.4499661922454834,
        "relative_population": 0.5364754909159537
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)(N[O-])c1ccccc1",
        "std_free_energy": 0.5961278080940247,
        "relative_population": 0.46352450908404635
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.34,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]