[
  {
    "molid": "mol37172",
    "smiles": "O=P(O)(O)NCc1ccccc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=P([O-])(O)NCc1ccccc1",
        "std_free_energy": -12.650775909423828,
        "relative_population": 0.9999996819267297
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])([O-])NCc1ccccc1",
        "std_free_energy": -12.022562026977539,
        "relative_population": 0.9999630358092904
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.84000015258789,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]