[
  {
    "molid": "mol895",
    "smiles": "CCOC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1",
        "std_free_energy": -3.3901848793029785,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOC(=O)C(C[C@H](C)[NH+](C)C)(c1ccccc1)c1ccccc1",
        "std_free_energy": -8.164844512939453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Hunt"
      }
    ]
  }
]