[
  {
    "molid": "mol6135",
    "smiles": "CC(C)(C)NC(O)c1ccc(F)c(F)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C)N[C@H](O)c1ccc(F)c(F)c1",
        "std_free_energy": -4.295172691345215,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)(C)[NH2+][C@H](O)c1ccc(F)c(F)c1",
        "std_free_energy": -8.30005168914795,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]