[
  {
    "molid": "mol28912",
    "smiles": "O=CC(CO)OP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C[C@H](CO)OP(=O)(O)O",
        "std_free_energy": -0.721591591835022,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C[C@H](CO)OP(=O)([O-])O",
        "std_free_energy": -11.537489891052246,
        "relative_population": 0.9990452190567375
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C[C@H](CO)OP(=O)([O-])[O-]",
        "std_free_energy": -12.90980339050293,
        "relative_population": 0.9999989677362262
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.75,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]