[
  {
    "molid": "mol37217",
    "smiles": "CC(C(=O)O)N(CCCl)CCCl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](C(=O)[O-])[NH+](CCCl)CCCl",
        "std_free_energy": -10.212207794189453,
        "relative_population": 0.9967678319042562
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)[O-])N(CCCl)CCCl",
        "std_free_energy": -8.955199241638184,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.15000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]