[
  {
    "molid": "mol25910",
    "smiles": "Cc1cccc(-c2nnn(C)n2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(-c2nnn(C)n2)c1",
        "std_free_energy": -6.637894630432129,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(-c2n[nH+]n(C)n2)c1",
        "std_free_energy": 10.382651329040527,
        "relative_population": 0.5341773854464663
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(-c2nnn(C)[nH+]2)c1",
        "std_free_energy": 11.371227264404297,
        "relative_population": 0.19877072621101016
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cccc(-c2nn(C)n[nH+]2)c1",
        "std_free_energy": 11.075936317443848,
        "relative_population": 0.2670518883425235
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -3.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]