[
  {
    "molid": "mol6302",
    "smiles": "CNc1cccc2cccc(N(C)C)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1cccc2cccc(N(C)C)c12",
        "std_free_energy": -6.401429176330566,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1cccc2cccc([NH+](C)C)c12",
        "std_free_energy": -5.528782367706299,
        "relative_population": 0.4595122656525589
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH2+]c1cccc2cccc(N(C)C)c12",
        "std_free_energy": -5.691088676452637,
        "relative_population": 0.540487734347441
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.43,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]