[
  {
    "molid": "mol34786",
    "smiles": "CC(C(=O)O)N(C)Cc1cccc(CN(C)C(C)C(=O)O)n1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](C(=O)[O-])N(C)Cc1cccc(C[NH+](C)[C@@H](C)C(=O)[O-])n1",
        "std_free_energy": -12.632667541503906,
        "relative_population": 0.9789631651009241
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@@H](C(=O)[O-])N(C)Cc1cccc(CN(C)[C@@H](C)C(=O)[O-])n1",
        "std_free_energy": -4.577700138092041,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.60000038146973,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]