[
  {
    "molid": "mol14342",
    "smiles": "COP(=O)(O)NS(=O)(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[P@@](=O)(O)NS(=O)(=O)c1ccccc1",
        "std_free_energy": -0.08885961771011353,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CO[P@@](=O)([O-])NS(=O)(=O)c1ccccc1",
        "std_free_energy": -12.8495454788208,
        "relative_population": 0.630114305092284
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CO[P@@](=O)(O)[N-]S(=O)(=O)c1ccccc1",
        "std_free_energy": -12.316838264465332,
        "relative_population": 0.36988569490771583
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CO[P@@](=O)([O-])[N-]S(=O)(=O)c1ccccc1",
        "std_free_energy": -13.782476425170898,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.04999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 6.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]