[
  {
    "molid": "mol37177",
    "smiles": "O=P(O)(O)OC1[C@H](OP(=O)(O)O)CCC[C@H]1OP(=O)(O)O",
    "microspecies": [
      {
        "id": "-5_1",
        "charge": -5,
        "smiles": "O=P([O-])([O-])OC1[C@H](OP(=O)([O-])[O-])CCC[C@H]1OP(=O)([O-])O",
        "std_free_energy": -13.688370704650879,
        "relative_population": 0.4830575504643661
      },
      {
        "id": "-5_2",
        "charge": -5,
        "smiles": "O=P([O-])([O-])O[C@@H]1CCC[C@@H](OP(=O)([O-])[O-])C1OP(=O)([O-])O",
        "std_free_energy": -13.756166458129883,
        "relative_population": 0.516942449535634
      },
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@@H]1CCC[C@@H](OP(=O)([O-])O)C1OP(=O)([O-])O",
        "std_free_energy": -13.367517471313477,
        "relative_population": 0.3593933689526646
      },
      {
        "id": "-4_2",
        "charge": -4,
        "smiles": "O=P([O-])([O-])OC1[C@H](OP(=O)([O-])O)CCC[C@H]1OP(=O)([O-])O",
        "std_free_energy": -13.265127182006836,
        "relative_population": 0.324416191955787
      },
      {
        "id": "-4_3",
        "charge": -4,
        "smiles": "O=P([O-])([O-])O[C@@H]1CCC[C@@H](OP(=O)([O-])[O-])C1OP(=O)(O)O",
        "std_free_energy": -12.738749504089355,
        "relative_population": 0.19164593031753066
      },
      {
        "id": "-4_4",
        "charge": -4,
        "smiles": "O=P([O-])([O-])OC1[C@H](OP(=O)([O-])[O-])CCC[C@H]1OP(=O)(O)O",
        "std_free_energy": -12.30776309967041,
        "relative_population": 0.12454450877401763
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.90999984741211,
        "charge_state_pre": -4,
        "charge_state_post": -5,
        "data_source": "QSARToolbox"
      }
    ]
  }
]