[
  {
    "molid": "mol843",
    "smiles": "CCCC[C@@H](CC)COP(=O)(O)OC[C@H](CC)CCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC[C@@H](CC)COP(=O)(O)OC[C@H](CC)CCCC",
        "std_free_energy": -2.070357084274292,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC[C@@H](CC)COP(=O)([O-])OC[C@H](CC)CCCC",
        "std_free_energy": -10.666176795959473,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]