[
  {
    "molid": "mol1519",
    "smiles": "CNC[C@H](O)c1ccc(O)c(OC)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH2+]C[C@H](O)c1ccc([O-])c(OC)c1",
        "std_free_energy": -3.2005443572998047,
        "relative_population": 0.45641402828042854
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CNC[C@H](O)c1ccc(O)c(OC)c1",
        "std_free_energy": -3.3753318786621094,
        "relative_population": 0.5435859717195715
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CNC[C@H](O)c1ccc([O-])c(OC)c1",
        "std_free_energy": 3.8475310802459717,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Hunt"
      }
    ]
  }
]