[
  {
    "molid": "mol33123",
    "smiles": "CC=C(C(=O)O)[As](=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC=C(C(=O)O)[As](=O)(O)O",
        "std_free_energy": -1.1237719058990479,
        "relative_population": 1.0
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "CC=C(C(=O)[O-])[As](=O)([O-])[O-]",
        "std_free_energy": -10.641648292541504,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC=C(C(=O)[O-])[As](=O)(O)O",
        "std_free_energy": -9.117914199829102,
        "relative_population": 0.7469724677950196
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC=C(C(=O)O)[As](=O)([O-])O",
        "std_free_energy": -8.035384178161621,
        "relative_population": 0.2530275322049805
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC=C(C(=O)[O-])[As](=O)([O-])O",
        "std_free_energy": -12.497241973876953,
        "relative_population": 0.9588578343794473
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.65,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.45,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "OCHEM"
      }
    ]
  }
]