[
  {
    "molid": "mol30973",
    "smiles": "O=[N+]([O-])c1cccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1",
    "microspecies": [
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "O=[N+]([O-])c1cccc(/[NH+]=[NH+]/c2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)c1",
        "std_free_energy": 10.597137451171875,
        "relative_population": 0.9354434074738814
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "O=[N+]([O-])c1cccc(/[NH+]=[NH+]/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1",
        "std_free_energy": 14.27336311340332,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.78,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]