[
  {
    "molid": "mol37183",
    "smiles": "O=P(O)(O)O[C@H]1CC[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)C1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@@H]1CC[C@H](OP(=O)(O)O)C[C@H]1OP(=O)([O-])O",
        "std_free_energy": -11.864961624145508,
        "relative_population": 0.0793751493064825
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=P([O-])(O)O[C@H]1CC[C@@H](OP(=O)([O-])O)[C@H](OP(=O)([O-])O)C1",
        "std_free_energy": -13.288959503173828,
        "relative_population": 0.3297000221519742
      },
      {
        "id": "-3_3",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@@H]1C[C@@H](OP(=O)([O-])O)CC[C@H]1OP(=O)(O)O",
        "std_free_energy": -12.189106941223145,
        "relative_population": 0.10976378583451475
      },
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@H]1CC[C@@H](OP(=O)([O-])O)[C@H](OP(=O)(O)O)C1",
        "std_free_energy": -12.123420715332031,
        "relative_population": 0.10278551407496661
      },
      {
        "id": "-3_5",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@@H]1CC[C@H](OP(=O)([O-])O)C[C@H]1OP(=O)(O)O",
        "std_free_energy": -12.256709098815918,
        "relative_population": 0.11744061633165123
      },
      {
        "id": "-3_6",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@H]1CC[C@@H](OP(=O)(O)O)[C@H](OP(=O)([O-])O)C1",
        "std_free_energy": -11.941130638122559,
        "relative_population": 0.08565729147597448
      },
      {
        "id": "-3_7",
        "charge": -3,
        "smiles": "O=P([O-])([O-])O[C@@H]1C[C@@H](OP(=O)(O)O)CC[C@H]1OP(=O)([O-])O",
        "std_free_energy": -12.657147407531738,
        "relative_population": 0.17527762082443638
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=P([O-])(O)O[C@H]1CC[C@@H](OP(=O)([O-])O)[C@H](OP(=O)(O)O)C1",
        "std_free_energy": -11.824542999267578,
        "relative_population": 0.2956318504148745
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=P([O-])([O-])O[C@@H]1C[C@@H](OP(=O)(O)O)CC[C@H]1OP(=O)(O)O",
        "std_free_energy": -10.497806549072266,
        "relative_population": 0.07844348909703298
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=P([O-])(O)O[C@@H]1CC[C@H](OP(=O)(O)O)C[C@H]1OP(=O)([O-])O",
        "std_free_energy": -11.763664245605469,
        "relative_population": 0.278171040463694
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=P([O-])(O)O[C@H]1CC[C@@H](OP(=O)(O)O)[C@H](OP(=O)([O-])O)C1",
        "std_free_energy": -11.710657119750977,
        "relative_population": 0.263809974948979
      },
      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=P([O-])([O-])O[C@@H]1CC[C@H](OP(=O)(O)O)C[C@H]1OP(=O)(O)O",
        "std_free_energy": -10.228869438171387,
        "relative_population": 0.05994583296390039
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.62000000476837,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]