[
  {
    "molid": "mol31043",
    "smiles": "CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2c([O-])c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1",
        "std_free_energy": -1.0199024677276611,
        "relative_population": 1.0
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1",
        "std_free_energy": -10.174334526062012,
        "relative_population": 0.9983934665753198
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.66,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]