[
  {
    "molid": "mol28977",
    "smiles": "Nc1ccc(P(=O)(O)O)c(Cl)c1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1ccc(P(=O)([O-])O)c(Cl)c1",
        "std_free_energy": -12.504528045654297,
        "relative_population": 0.9994701413676559
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Nc1ccc(P(=O)([O-])[O-])c(Cl)c1",
        "std_free_energy": -12.696856498718262,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.33,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.32999992370606,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]