[
  {
    "molid": "mol33160",
    "smiles": "CN(C)CCN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)CC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -13.46718978881836,
        "relative_population": 0.9806479756403755
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(C)CC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -13.73669719696045,
        "relative_population": 0.396546439537563
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C[NH+](C)CCN(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -14.156096458435059,
        "relative_population": 0.6031659820918613
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CN(C)CCN(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -6.099586009979248,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 10.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]