[
  {
    "molid": "mol15405",
    "smiles": "Nc1ccc(P(=O)(Nc2nccs2)OCC(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc([P@@](=O)(Nc2nccs2)OCC(F)(F)F)cc1",
        "std_free_energy": -6.243453502655029,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1ccc([P@@](=O)([N-]c2nccs2)OCC(F)(F)F)cc1",
        "std_free_energy": -1.0113595724105835,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.6999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]