[
  {
    "molid": "mol17063",
    "smiles": "O=[N+]([O-])c1ccc(C(O)C(CO)NP(=O)(O)CCl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)N[P@](=O)(O)CCl)cc1",
        "std_free_energy": -3.2677359580993652,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)N[P@](=O)([O-])CCl)cc1",
        "std_free_energy": -11.559531211853027,
        "relative_population": 0.9999931028005503
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]