[
  {
    "molid": "mol14412",
    "smiles": "Cc1c(C)c2c(c(C)c1OP(=O)(O)O)CCC(C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(C)c2c(c(C)c1OP(=O)([O-])O)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2",
        "std_free_energy": -11.331403732299805,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1c(C)c2c(c(C)c1OP(=O)([O-])[O-])CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2",
        "std_free_energy": -2.7830629348754883,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.44,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]