[
  {
    "molid": "mol16173",
    "smiles": "C[N+](C)=c1ccc2c(-c3ccccc3C(=O)O)c3ccc4cc(O)ccc4c3oc-2c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[N+](C)=c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc4cc(O)ccc4c3oc-2c1",
        "std_free_energy": -9.858569145202637,
        "relative_population": 0.9997963062927651
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[N+](C)=c1ccc2c(-c3ccccc3C(=O)[O-])c3ccc4cc([O-])ccc4c3oc-2c1",
        "std_free_energy": -3.652679920196533,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]