Allow extra R-groups in unlabelled positions if they do not interfere with R-group decomposition

AllowUnlabelledRGroups.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import rdkit"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "'2021.03.1dev1'"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rdkit.__version__"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import Chem\n",
    "from rdkit.Chem import rdRGroupDecomposition, PandasTools, rdDepictor\n",
    "import pandas as pd\n",
    "from IPython.display import SVG\n",
    "from IPython.core.display import HTML"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "def show(df):\n",
    "    return HTML(df.to_html(notebook=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "def groups_to_df(groups, mols, include_core=False, redraw_sidechains=False):\n",
    "    \"\"\" add the molecule to the dataframe \n",
    "    \"\"\"\n",
    "    cols = ['Mol']+list(groups.keys())\n",
    "    if redraw_sidechains:\n",
    "        for k,vl in groups.items():\n",
    "            if k=='Core':\n",
    "                continue\n",
    "            for i,v in enumerate(vl):\n",
    "                vl[i] = Chem.RemoveHs(v)\n",
    "                rdDepictor.Compute2DCoords(vl[i])\n",
    "\n",
    "\n",
    "    if not include_core:\n",
    "        cols.remove('Core')\n",
    "        del groups['Core']\n",
    "    groups['Mol'] = mols\n",
    "    frame = pd.DataFrame(groups,columns=cols)\n",
    "    PandasTools.ChangeMoleculeRendering(frame)\n",
    "    return frame"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [],
   "source": [
    "core = Chem.MolFromMolBlock(\"\"\"\n",
    "     RDKit          2D\n",
    "\n",
    "  9  9  0  0  0  0  0  0  0  0999 V2000\n",
    "    2.5242   -1.5657    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n",
    "    1.3515   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "    1.6852    0.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "    0.7500    2.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -0.7500    2.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -1.6852    0.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -1.3515   -0.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -2.5242   -1.5657    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -0.0000   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "  1  2  1  0\n",
    "  2  3  1  0\n",
    "  3  4  1  0\n",
    "  4  5  1  0\n",
    "  5  6  1  0\n",
    "  6  7  1  0\n",
    "  7  8  1  0\n",
    "  7  9  1  0\n",
    "  9  2  1  0\n",
    "M  RGP  2   1   1   8   3\n",
    "M  END\n",
    "\"\"\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd795617b0>"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "core"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"FC1CCCCC(Br)C1\")\n",
    "mol2 = Chem.MolFromSmiles(\"CC1CC(N)CCCC1\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd79561f80>"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps.onlyMatchAtRGroups = True\n",
    "rgd = rdRGroupDecomposition.RGroupDecomposition(core, ps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Process()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'Core': ['C1CCC([*:3])CC([*:1])C1', 'C1CCC([*:3])CC([*:1])C1'],\n",
       " 'R1': ['Br[*:1]', 'N[*:1]'],\n",
       " 'R3': ['F[*:3]', 'C[*:3]']}"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.GetRGroupsAsColumns(asSmiles=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mol</th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R3</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "show(groups_to_df(rgd.GetRGroupsAsColumns(), [mol1, mol2], include_core=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"FC1CCCCC(Br)C1\")\n",
    "mol2 = Chem.MolFromSmiles(\"C2CCC1CCCC(N)CC12\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd793d5da0>"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol2"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This molecule should fail as the unlabelled R-group is connected to the labelled R-group through a cycle."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps.onlyMatchAtRGroups = True\n",
    "rgd = rdRGroupDecomposition.RGroupDecomposition(core, ps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "-1"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 23,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Process()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'Core': ['C1CCC([*:3])CC([*:1])C1'], 'R1': ['Br[*:1]'], 'R3': ['F[*:3]']}"
      ]
     },
     "execution_count": 24,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.GetRGroupsAsColumns(asSmiles=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mol</th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R3</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "show(groups_to_df(rgd.GetRGroupsAsColumns(), [mol1], include_core=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"FC1CCCCC(Br)C1\")\n",
    "mol2 = Chem.MolFromSmiles(\"CC1CCC(O)CCC1\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd7937ac60>"
      ]
     },
     "execution_count": 27,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol2"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This molecule should fail as the OH group is not in the same position as in the core."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps.onlyMatchAtRGroups = True\n",
    "rgd = rdRGroupDecomposition.RGroupDecomposition(core, ps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "-1"
      ]
     },
     "execution_count": 31,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 32,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Process()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'Core': ['C1CCC([*:3])CC([*:1])C1'], 'R1': ['Br[*:1]'], 'R3': ['F[*:3]']}"
      ]
     },
     "execution_count": 33,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.GetRGroupsAsColumns(asSmiles=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mol</th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R3</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 34,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "show(groups_to_df(rgd.GetRGroupsAsColumns(), [mol1], include_core=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 35,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"FC1CCCCC(Br)C1\")\n",
    "mol2 = Chem.MolFromSmiles(\"CC1CC(N)C(O)CCC1\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 36,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd79381ad0>"
      ]
     },
     "execution_count": 36,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol2"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This molecule should be added, as the OH group is connected to an unlabelled position and does not interfere with the other R-groups. There is no ambiguity with regards to which substituents match the core."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps.onlyMatchAtRGroups = True\n",
    "rgd = rdRGroupDecomposition.RGroupDecomposition(core, ps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 39,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1"
      ]
     },
     "execution_count": 40,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 41,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 41,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Process()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 42,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'Core': ['C1CCC([*:3])CC([*:1])C1', 'C1CCC([*:3])CC([*:1])C1'],\n",
       " 'R1': ['Br[*:1]', 'N[*:1]'],\n",
       " 'R3': ['F[*:3]', 'C[*:3]']}"
      ]
     },
     "execution_count": 42,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.GetRGroupsAsColumns(asSmiles=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 43,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mol</th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R3</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 43,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "show(groups_to_df(rgd.GetRGroupsAsColumns(), [mol1, mol2], include_core=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 44,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"FC1CCCCC(Br)C1\")\n",
    "mol2 = Chem.MolFromSmiles(\"CC1CC(N)C2(OCCO2)CCC1\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd793f2210>"
      ]
     },
     "execution_count": 45,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol2"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This molecule should be added, as the dioxolane is connected to an unlabelled position and does not interfere with the other R-groups. There is no ambiguity with regards to which substituents match the core."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 46,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps.onlyMatchAtRGroups = True\n",
    "rgd = rdRGroupDecomposition.RGroupDecomposition(core, ps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 48,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 48,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 49,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1"
      ]
     },
     "execution_count": 49,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 50,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 50,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Process()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 51,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'Core': ['C1CCC([*:3])CC([*:1])C1', 'C1CCC([*:3])CC([*:1])C1'],\n",
       " 'R1': ['Br[*:1]', 'N[*:1]'],\n",
       " 'R3': ['F[*:3]', 'C[*:3]']}"
      ]
     },
     "execution_count": 51,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.GetRGroupsAsColumns(asSmiles=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 52,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mol</th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R3</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 52,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "show(groups_to_df(rgd.GetRGroupsAsColumns(), [mol1, mol2], include_core=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 53,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"FC1CCCCC(Br)C1\")\n",
    "mol2 = Chem.MolFromSmiles(\"CC1CC(N)C(O2)CCC12\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 54,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "iVBORw0KGgoAAAANSUhEUgAAAcIAAACWCAIAAADCEh9HAAAABmJLR0QA/wD/AP+gvaeTAAAa60lEQVR4nO3df1xM+f4H8Pf86KcZ6YeUWuXXoNgoi3ZqEStptCTW7hWuhx8Pu5QHt2sfa5my+yC7PNTeXa7WXmJd2YR+KLXYSwnfW0xKqaSilEo/mH7PzOf7x2m7SdnSzJyZM+/nwx+7nZlzXh54PT7nnM/5HBYhBBBCCL0tNt0BEEJIu2GNIoTQgGCNIoTQgGCNIoTQgGCNIho0NDTI5XK6UyCkHFy6AyCdUF9fn5OTk/mHBw8e7Nu374MPPpg2bRrd0RAaKBZOeEKqUF5efufOnTt37ty9e/fOnTtPnjzpulVPT6+9vX3GjBnp6eksFouukAgpBdYoUo6nT592DjYzMjIqKyu7buXxeE5OTo6Ojg4ODi4uLhMmTJg0aVJFRUVUVNTHH39MV2aElAJrFL2lrr15+/bt6urqrltNTEwmTpzo8ocJEyaw2a9ciP/pp5/Wr18/cuTIvLw8AwMD9WZHSJmwRlGfyGSy/Pz8zt6USCSNjY1dP2BqakqNNCkODg5vPluXy+VTpkzJzs7ev3//tm3bVBwfIRXCGkU9a29vLygo6OzNO3fuNDc3d/2AtbV1Z2lOnTrV2tq6v4dISkpasGDBkCFDHj58aG5urrzsCKkV1ijq8PLly6ysrMzMzNzc3Pv372dkZLS2tnb9QNfenD59uqWl5cAP6unpmZKSsnXr1gMHDgx8bwjRAmtUdzU0NGRnZ3edhKRQKDq3crlcgUBAlaajo6Ozs7OZmZnSM9y7d8/Z2ZnD4dy/f3/MmDFK3z9CaoA1qkOePn1KjTSp3szLy+v6p6+npzd27NjO8aazs7OxsbEaUq1Zs+bYsWPLli07c+aMGg6HkNJhjeoEuVyekpKyYMGCrj/k8/lOTk7Ozs5TpkxxdnZ2cHDgcml4HOPp06cCgaCxsTEtLU0oFKo/AEIDhDWqE65du/bhhx+yWCx3d/fO3hw7dmy3SUh02bVr19dff42z8ZGWwhrVCZGRkatXr/7LX/7yyy+/0J2lB1KpVCAQVFRUREdH+/n50R0Hof7RiMEIUrXS0lIAsLOzoztIz3g8nlgsBoDt27d3mx6AkObDGtUJGl6jALB27VpHR8dHjx4dPnyY7iwI9Q/WqE6gatTe3p7uIL3icDihoaEAsHv37traWrrjINQPWKM6oaSkBDR7NAoAIpFo7ty5dXV1e/fupTsLQv2At5iYT6FQGBsbt7W1NTY2GhkZ0R3nTbKyspydnblcbm5u7ujRo+mOg1Cf4GiU+SoqKlpbWy0tLTW8QwHAyclpxYoVbW1tX331Fd1ZEOorrFHm0/wLo13t2bPH2Nj4zJkz6enpdGdBqE+wRplPKy6MdrKxsdmyZQsh5G9/+xtecUJaAWuU+bRrNAoAX3zxhZWV1c2bNy9cuEB3FoT+HNYo82n+pNFu+Hz+zp07ASAoKKitrY3uOAj9CaxR5tOuk3rKhg0bHB0di4qKjhw5QncWhP4E1ijzad1oFAA4HM6ePXsAIDg4GGfjIw2HNcp81MuNtatGAcDHx2fOnDm1tbXffvst3VkQehOcfs9wVVVVw4YNMzMze/78Od1Z+k0ikbi4uHC53Ly8vFGjRtEdB6Ge4WiU4bTuNn1XkydP/vTTT9va2nbt2kV3FoR6hTXKcNp4f6mrvXv3Ghsb//vf//7vf/9LdxaEeoY1ynBaPRoFAFtb282bN1Oz8enOglDPsEYZThtv03ezY8eOYcOGXb9+PTY2lu4sCPUAa5ThtP2kHgD4fP6OHTsAYPv27e3t7XTHQag7rFGGY8BoFAA2btw4YcKE/Pz8iIgIurMg1B1OeGK4IUOGNDQ01NbWmpqa0p1lQM6fP+/r6zt06NDCwkITExO64yD0PzgaZbK6urqGhgY+n6/tHQoAixcv9vDwqK6u3rdvH91ZEHoF1iiTURdGtfc2fTd79+5lsVgHDx6krlQgpCGwRpmMGRdGO02bNm358uUtLS3U+k8IaQisUSbT9kmjr9uzZ4+hoeGpU6cyMzPpzoJQB6xRJmPYaBQA7O3tN2/erFAocDY+0hxYo0zGgEmjr/vyyy8tLCz+85//JCQk0J0FIQCsUWZj3kk9AAwZMoR6b2hQUJBMJqM7DkJYo4zGyNEoAHz22Wdjx4598ODB0aNH6c6CEE6/Zy6pVMrn842MjBobG1ksFt1xlCwmJsbPz8/S0rKwsHDw4MF0x0E6DUejjNU5FGVehwKAr6/v5MmTq6uro6Oj6c6CdB3WKGMx7zZ9Vw8fPiwtLWWxWGKxmO4sSNdhjTIWI+8vUcrLyz09Pevq6vT09MrLy+/evUt3IqTTsEYZi6mj0Zqamnnz5hUXF0+fPt3f3x8ALly4QHcopNOwRhmLkbfpX7586eXllZubO2nSpMTExGXLlgHA+fPn6c6FdBrWKGMx76S+ra3Nz88vIyNj9OjRycnJZmZms2bNMjU1zc7OLigooDsd0l1Yo4zFsNGoXC7/9NNPU1JShg8f/ttvv1lbWwOAnp7eggULACAuLo7ugEh3YY0yU0tLS1VVlb6+PlU32o4Qsm7dupiYGHNz899++23kyJGdmxYvXgx4Xo9ohTXKTKWlpYSQd955h81mwh/xtm3bjh07NmjQoLi4OAcHh66bvLy8jI2Nb926VVFRQVc8pOOY8G8MvY5JF0Z37tx58OBBfX39c+fOvf/++922Ghsbz507V6FQxMfH0xIPIaxRZmLMhdEffvjhm2++4XA4p06dmjdvXo+fWbRoEeB5PaIP1igzMWPS6MmTJwMDA1ksVkREhJ+fX28f8/Hx4XK5V65cqa+vV2c8hChYo8zEgBqNjY1ds2aNQqHYv3//mjVr3vBJc3NzNze39vb2pKQktcVDqBPWKDNp+7XRq1evLl++XCaThYSEbN269U8/T92vx8eZEC2wRplJu6+N3r49ZvdufUICAwN37drVl2/4+vqyWKzExMSWlhZVp0OoG6xRBpLJZHV1dSwWKy0tTfvWh8/JgQULRly79mDTpoMHD/bxS7a2ts7OzlKp9MqVKypNh9DrsEYZiM1mDx48mBDi7+8vEAgOHTrU3NxMd6i+efQIPD2hthZ8fKxDQ/u1Uirer0d0wRplIDabPXz4cACws7MrLi7+/PPP7ezsgoODa2tr6Y72RlVV4OUFT5/C7Nlw5gxwuf36NnV5NDY2VvsG4EjLYY0yk4uLCwBs2bIlLi7O1dW1uro6JCTEzs4uMDDwyZMndKfrSX09eHpCQQFMmwaxsWBo2N8dODo6jhs3rqamJj09XRUBEeoN1igzTZkyBQAkEsnChQvT09NTU1NFIlFjY+P3338/evTolStX5ubm0p2xi6YmEIlAIgFHR0hMBD7/7Xbz0UcfAd6vR2qHNcpMVI12Lgvv5uYWHx8vkUj8/f0JISdPnpw4cSLVsLTGBACAtjbw9YUbN2DECEhKAnPzt95T5+VRfFEjUid8MygztbS0UHeZXrx4YWRk1HVTSUnJwYMHjx492tTUBABCoXD79u0ikYieN9/J5fDJJxAdDZaWcP06jBs3kJ0pFApbW9uKioq7d+9OnjxZWRkRejMcjTKToaHh+PHjZTJZdnZ2t0329vbh4eElJSVisdjMzOzGjRs+Pj5OTk4nTpxob29Xa0pCYMMGiI4GExNITh5ghwIAm83G83qkflijjOXs7AwAd+7c6XHr0KFDg4ODS0pKDhw4YGtrm52dvWrVKoFAIDl2DJqa1BQxKAh+/hmMjSEhAZQ0eMTlR5H6YY0yVrfLoz3i8/lbt2599OhRZGSkg4NDVXn5pK++Ajs7CA6G589Vmy8kBA4cAH19iIkBNzdl7XX27Nmmpqb37t0rLCxU1j4RejOsUcbqS41S9PT0Vq5cmZ2d/X+xsRw7O6ipgZAQsLODLVvg8WOVhDt0CIKDgcOBX36B+fOVuGM9PT0vLy/A14ogNcIaZSxnZ2c2m33v3r0+XvFks9mOXl6Qng6pqSASQVMThIfDmDGwciXcv6/MZL/8Aps3A4sF//wnLF2qzD0DAJ7XI7XDO/VMNm7cuIKCAolE4uTk1O8vZ2fDd99BVBS0twOLBd7e8MUXIBQONFN6OsycCTIZHDgAfVi66S1IpVJLS8vW1tby8nIrKytVHAKhrnA0ymTUeX1vd5n+xKRJcOIEFBZCQAAYGUFCAri5gZsbREeDQvH2maZPhxUrYOdOFXUoAPB4PHytCFInrFEm6/vl0V7Z2UF4OJSWglgM5uZw4wYsWwbjx0N4OLS29vqtwkI4fhy++w5++AGSk6HrwigcDvz8M+ze/faR+gCXKUFqRRBzpaSkAICbm5tydieVkrAwMmIEASAAxMqKiMWkvv6Vz5SUkHnzOj7Q+cvcnBw5opwMfVNTU8Plcg0MDBoaGtR5XKSbcDTKZNTUUYlEohjIaXinQYMgMBAePoTISHB0hMpKCAmBESMgMBColxtXVIBQCCkpsGoV3LgBlZXw8CEcPgx6erBhA+zdq4QMfWNubi4UCltbWxMTE9V2UKS76O5xpFrUAvh5eXlK3q9CQWJjiVDYMd789ltCCFmyhACQ4ODuHy4uJubmhMsl9+8rOUbvwsLCAODjjz9W2xGRzsLRKMMp4fJoj1gs8PGBtDRITYVly2DDBigrgwsXwNYWduzo/mF7e/jyS5DJ4PBhJcfo3aJFi1gs1sWLF/G1IkjVsEYZTlU12snNDc6cgcGD4fp1kMvB27vn5ZYXLwYAuHZNVTFeY2dnN2XKFKlUevXqVbUdFOkmrFGGe/OT9cpUXAwAvS4vYm8PBgbw6JHKY3SB9+uRemCNMlxnjRJVP2fR2AgAYGzc81YWC3g8aGwc0JzTfqIeZ4qLi5PL5Wo7KNJBWKMMN3z4cCsrq7q6OuqVyyrE4wH8UaavIwSkUuDxgK2+v3ITJ04UCARVVVUasTo1Yi6sUeZT+eVRysiRAAC9ratUWgqtrTBqlGozvAaXH0VqgDXKfNR5vcpr1N0d2GxITIQez6Cp9ZZmzVJthtdQl0fPnTun5uMinYI1ynwDerK+72xtYeFCePwYwsK6b3r2DPbuBQ4HNmxQbYbXzJgxw9rauqSkJCsrS82HRroDa5T5qNFoZmamyo/0/fdgYQF//zts2waFhR3XQ8+fB6EQKivhq6/AwUHlGV7FZrN9fHwA79cjVcKF8piPEGJhYVFbW1teXj58+HDVHiwvD1auhIyMV344aBCIxRAUpNpD9yI5OXn+/PlOTk4SiYSWAIjxsEZ1wpw5c65evZqQkODt7a3ygxEC6emQlgZVVWBsDOPGwfz5YGGh8uP2or29fdiwYXV1dUVFRaPUfo8L6QI8qdcJ6puEDwAsFgiFsH07HDgAX38NK1bQ2KHQ5bUieL8eqQjWqE5Q05wnTYWPMyGVwhrVCWodjWoeLy8vAwOD9PT033//ne4siIGwRnWCQCDg8XilpaU1NTV0Z6HB7du3WSyWra2th4eHo6NjcHBwfn4+3aEQc2CN6gQ2m0291U4H71YfP37cy8urpaWFx+NZWFjk5uaGhISMHz9+6tSp+/fvf6yiN0gjXYI1qit08LyeEBIcHLxmzZr29vaAgIDs7OzKysrU1NSAgAALC4vMzMygoCA7O7upU6eGh4dXUAv4I/QWaF00GqnPv/71LwBYvnw53UHUpLW11d/fHwA4HM6PP/7YbWtLS0tcXJy/vz+fz6f+IbDZbKFQGBYW9uzZM1oCI+2F80Z1RVZW1uTJkwUCgS5cFqyvr/f19f399995PN7p06dFIlFvn2xubr58+XJ0dHRMTExTUxMAcDic2bNn+/v7L1q0aPDgwWpMjbQV1qiukMlkfD6/tbW1vr6e2e1QXl7u7e2dlZVlbW0dHx/v4uLSl281NDTExsZGR0cnJye3t7cDgKGh4dy5c5cuXbpkyZJBgwapODXSYlijOuS9997LyMi4fv26u7s73VlUJSsrSyQSlZWVTZw48eLFiyNGjOjvHqqrq8+ePRsVFZWWlka9UXXw4MFr1jycO3fovHmgp6eC0EjL4S0mHcL4u0zJycnu7u5lZWVz5sxJS0t7iw4FgKFDh27cuPHatWuPHz8OCwsTCoVGRqP+8Y+hIhEMGwYrV0J8PMhkSs+OtBjWqA5h9rNMR48eFYlEL1++XL16dVJSkomJyQB3aGNjExgYmJaWdvPmtd27YdIkqKuDkyfBxwfeeQcCAiA9HfBcDgHgnXpdcvv2bQCYNGkS3UGUTKFQiMViAGCxWGKxWKFQqOhA9+8TsZiMG0cAOn698w4JCCCpqeQNx6ysJOvXk/XrSVFR902nTpH160lhIamuJv7+ZN++Hr6ek0P8/UlkpDJ/I0i5sEZ1SHNzs56eHpfLbWpqojuL0rS0tCxfvhwA9PX1T5w4oZ6D5uQQsZiMHv2/PrW3JwEBJDOzhw/n53d8xtOz+6bPPiMAJDWVFBcTADJnTg9fT0khAGTjRuX/LpCy4Em9DjE0NBw/frxMJsvOzqY7i3I8f/78ww8/jIqKMjU1vXTpEjVRVA0cHSE4GB4+hIwMCAgAa2soKYHvvwcXl45Nr7+SisuF5GSIjlZPQKRWWKO6hUl3mYqKit5///3U1FR7e/sbN27Mnj1b/RlcXCA8HMrKIDUVAgLA0hJycyEkBASCjj4tLu745EcfgZUVBARAfb36YyLVwhrVLYy5y3Tr1i1XV9eCggInJ6e0tLQJEybQGIbNBjc3CA+HJ08gIQFWrAA+v6NPfX07PsPjQXAwVFbCrl00JkUqgTWqW5gxGo2JifHw8Kiurvb09ExNTbWxsaE7UQd9ffD2hpMn4dkzOHsW/Pxg5cr/bV23DqZOhR9/hNu36YuIVIBLdwCkVlOmTGGz2VlZWYWFhWPHjqU7ztsIDw/funWrQqFYt27doUOHuFxN/DtsZARLlsCSJQAABQUdP2Sz4eBB+OAD2LQJbt0CDqf7t27fhsmTu/9QKlVxVjRgOBrVLVFRUVwul8fjCQQCauXN4s6rdxpPLpdv2rRpy5YthBCxWBwREaGZHfoGbm6wahVkZMDhwz1s1dcHC4vuvxj94C5T0D1VAKmJXC4PCgoCABaL5ezs3HVlo5kzZx4+fLi6uprujG8ilUqpFUYMDAxOnz5Nd5x+oCY8rVrV8b81NcTcnJiakupqnPDEEDga1Qmtra0rVqz47rvvuFzukSNHMjMzq6qqqJXijIyMrl27tnHjRisrKzc3t/DwcA1cIb+iomLmzJkJCQnm5uaXL1+mJopqKXNz+OYbqKsDsZjuKEhZ6O5xpHLPnz+n1iLh8/lJSUndtjY1Nf36668ikUhfX5/6K2FgYCASiSIjI1+8eEFL4G5ycnKop+NHjx6dn59Pd5x+6zYaJYTI5eS99wiXSzw8cDTKBFijDFdUVDRu3DgAsLGxkUgkb/hkbW1tZGSkSCTqvOBoZGRE9WljY6PaAndz+fJl6ul4V1fXqqoqumIMxOs1SgjJyCAcTsfTTf2q0cJCcvcueflS1alRP2CNMtnNmzctLS0B4N13333y5Ekfv1VTUxMZGTl37lwWi0X1qYmJib+/f1xcXFtbm0oDd3Ps2DE9PT0AWLJkifY+wNpjjRJCNm7sX42WlRFXV2JlRRwciIkJiYlRfXTUN1ijjBUTE2NkZAQAnp6eDQ0Nb7GHJ0+eUCvFdfapmZkZ1aft7e1KD9wVtdoIddyAgAC5XK7Sw6lUbzVaX0+srftRo6GhZO1aIpMRQsi33xJT047/RrTDGmWmsLAwNpsNAGvXrh145RUXF4eFhVFT9yk2NjYBAQGpqamqWE7pza9R0joyGamtJVJpD5ukUlJbS9rbiUJBGhpIj9dOZDLS0ECam1/5YV4eASCPH6skMOovrFGmkclkn3/+Ofyxapxyd56TkyMWiwUCQWefjhgxgupTZR2irq6Oejqex+PFx8cra7cMEx9PjI2Jik8JUF9hjTKKVCpduHAhqH5yJdWno0aN6uxTBwcHsVicl5c3kN2WlZU5OTkBgLW1dUZGhrLSMkxbG5kxgwQF0Z0D/QFrlDkqKiqo17eZmZldv35dDUeUy+XUa9+trKy69WlhYWF/9yaRSKin4ydOnFhaWqqKwAwgkxF/f+Lq2vNVAkQLrFGGyMnJsbOzoyZXPnjwQM1Hl8lkVJ9aWFh07dPQ0NCnT5/2ZQ+XLl2iHqyaM2dOfX29qgNrqZoa4ulJ3N1JXR3dUVAXWKNMcOXKlSFDhgDAjBkz6J1c2dLSQj0c1fVhU6FQGBYW9uzZs96+1fl0/OrVq9U8p0qLZGQQe3vi5UUePCBFRaSoCAekmgJrVOsdP36cegBJoyZXNjc3U31qbGxM9SmHwxEKhUeOHOk6+6rba5Toy6sF/PzIqFGv/EpJoTsTIoRgjWq70NBQDZ9cWV9fTz0cpffHK94NDQ2ph6Nqamo6X6N08uRJupMi9JZYBF8Rq52oiU0REREcDic8PJya5KTJampqzp49GxUVRc02BQB9ff22tjZTU9Nz587NmjWL7oAIvSWsUa308uXLZcuWXbp0adCgQVFRUdQKctqipqbm3LlzJ06cYLFYZmZmoaGh9L4CBKEBwhrVPuXl5SKRSCKRWFtbx8fHU5OctFFLS4uhoSHdKRAaKKxRLXPv3j1vb++ysjJHR8eLFy9Sk5wQQjTCZZu1SUpKiru7e1lZmYeHR1paGnYoQpoAa1RrHD161Nvb+8WLF6tWrUpKSqImiiKEaIc1qgUIIcHBwevWrZPL5WKx+NixY50r1SOEaKdlL1bUQa2trX/9619Pnz7N5XIPHTq0bt06uhMhhF6BNarRamtrFy1alJqayufzf/311/nz59OdCCHUHdao5nr06NGCBQvy8/NtbGwuXrxIrSCHENI0eG1UQ926dcvV1TU/P//dd9+9desWdihCGgtrVBOdO3fOw8OjqqrK09MzLS3N1taW7kQIoV5hjWqc8PDwpUuXNjc3r127NiEhoXPFOYSQZsIa1SByuXzTpk1btmwhhIjF4p9++qnzlfEIIY2F/0o1RWNj4yeffBIfH29gYHD8+HFqBTmEkObDGtUIlZWVIpEoMzPTzMzswoUL7u7udCdCCPUVLk2iEebPn5+cnDx27NjExMQxY8bQHQch1A9YoxqhuLh427ZtERERXV8JhxDSClijCCE0IHinHiGEBgRrFCGEBgRrFCGEBgRrFCGEBgRrFCGEBuT/AR1TxKpe33/QAAAA7XpUWHRyZGtpdFBLTCByZGtpdCAyMDIxLjAzLjFkZXYxAAB4nHu/b+09BiDgAWJGBgjgAmJuIG5gZGNIAIkzQ2hmKJ+JCcZnh8jD+RwMCiB5VGUI5dxAKxiZGJiYGZhZGJhZGVjZGFjZGdg5GDg4GTgZGTjZGESY2Bg52ViZmVjZWNk5OMVhTmLgWtLFd+Bh9vf9II6yUc/+zgdFYPaMjKV2YW+2g9letrvsnx16vg/EPvnE3GHqzQKwuJR4g/2xjTX2IPb/jK17GIoe7gWxT7/vtqtTFHYAsXdVz9z/5gwDmO1+e8P+i3xsYPViAE8kM+O8sxtzAAAA7XpUWHRNT0wgcmRraXQgMjAyMS4wMy4xZGV2MQAAeJydk0EOAiEMRfecoheQtL+D0LXjyqiJC+/g3vvHIiNhoQshZPJ/mP/SlhCortt6ejypL6whkDCJEPHXbWZ0BzMH/32HCGRUJdFUuTI4+inTgX4hxh1ali1pVRxtKXmK4gmFSuMturc5imdT4lbLkjBZC2LJ2jviMlAu/9Tiga0CK1nmpusJQJoS4ZFy/We6aB15b7AyN12/GTGTRmFBmqVokW0uCTp1R14E3t9qXGk3rpZuXKXR7LtxlUdTunFl3Vh9TpupCqP5AM5Ex8saXuFxjN0WAcs4AAAApHpUWHRTTUlMRVMgcmRraXQgMjAyMS4wMy4xZGV2MQAAeJwljkEOwzAIBL/SYyo51rJgG5Qj9/ZDeXxxegJWA0OmZB6fdzIz5cvXfZzs5KK0U3oow9tVHWLQ24ke5kujXehKxbSNmc5Kqo6xERucowL2QtX+W3BuBMBqNfuC+77CQsRaScODj0siEJVAOORJ1KUM6IM6S3nVRZBi9rwkAri09/0DByApjAfz6FsAAAAASUVORK5CYII=\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd7938c3f0>"
      ]
     },
     "execution_count": 54,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol2"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This molecule should be added, as the -O- bridge is connected to unlabelled positions and does not interfere with the other R-groups. There is no ambiguity with regards to which substituents match the core."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 55,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 56,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps.onlyMatchAtRGroups = True\n",
    "rgd = rdRGroupDecomposition.RGroupDecomposition(core, ps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 57,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 57,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 58,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1"
      ]
     },
     "execution_count": 58,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 59,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 59,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Process()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 60,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'Core': ['C1CCC([*:3])CC([*:1])C1', 'C1CCC([*:3])CC([*:1])C1'],\n",
       " 'R1': ['Br[*:1]', 'N[*:1]'],\n",
       " 'R3': ['F[*:3]', 'C[*:3]']}"
      ]
     },
     "execution_count": 60,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.GetRGroupsAsColumns(asSmiles=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 61,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mol</th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R3</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAMgAAADICAIAAAAiOjnJAAAABmJLR0QA/wD/AP+gvaeTAAAS/0lEQVR4nO2dfVBUVdzHz10QVkBFXpQLyNsgoBIQBomQKQqTBr7OahNiaoA2JlpCpJXUhIWGhQ6mTL4RKohjJqINojSFAgLbyouWirxouoKAvMmysOw+f5zn2eFJgV3g7NkLv89fwL17z5flwz2/e87ZexmFQoEAYLjh0Q4AjExALIAIIBZABBALIAKIBRABxAKIAGIBRACxACKAWAARQCyACCAWQAQQCyACiAUQAcQCiABiAUQAsQAigFgAEUAsgAggFkAEEAsgAogFEAHEAogAYgFEALEAIoBYABFALIAIIBZABBALIAKIBRABxAKIAGIBRACxACKAWAARQCyACCAWQAQQCyACiAUQAcQCiABiAUQAsQAigFgAEUAsgAggFkAEEAsgAogFEAHEAoigSzuApunu7u7u7tZ8uzwej8/na75daihGEydPntywYQOV99nFxSUpKUkmk9F+DzQEoxg1D8LMyclZuHChgYGBTCbTfOt8Pv/Zs2dRUVHfffed5lunAG2zNURNTY2ZmRlC6Msvv6QSID8/X09PDyGUlpZGJYCGGRVidXR0eHp6IoSCg4N7enpoxUhKSkIIjR07VigU0sqgMUaFWO+88w5CyMnJqbm5mW6S999/HyFka2v79OlTuklIM/LFwjWNkZFRRUUF7SwKiUTi7e2NEFqwYMHILuRHuFhXr17V1dVlGObMmTO0s/wvjx8/ZlkWIfTpp5/SzkKQkSxWTU2Nubk5QuiLL76gneX/ce3aNT09PYZh0tPTaWchxYgVSyKRzJw5EyEUGBiohZ3Ovn37EEKGhoZlZWW0sxBhxIq1du1ahNDUqVOfPXtGO8vLWb9+PULIzs6uoaGBdpbhZ2SK9f333+OCvby8nHaWPpFIJF5eXgihgIAALTynDpERKFZeXt6YMWMYhjl9+jTtLANQW1uLq8DPPvuMdpZhZqSJ9eDBg0mTJiGEduzYQTuLSuTm5uLr1oyMDNpZhpMRJRZHO5e9e/dqf8etLiNKLGU5zLlxbe2/1FCXkSMWpy/gtXxwZBCMELGuX7/O9SFH5XDuzp07aWcZBkaCWMpJkpiYGNpZhsSVK1e0bQJq0HBerM7OTjytO3/+/BHQiezZswchNG7cOG2YMh8KnBcrLCxshC1E0Z5FPkOB22IdOHAAL50rKSmhnWXYUC5LXLx4McVliUOEw2IpF/seP36cdpZhprq6mu5C6qHDVbHEYrGlpSVCKCoqinYWIuTk5Ojo6DAMc/bsWdpZBgMnxerq6vLz80MI+fv7d3d3045Dim+//RYX8rdu3aKdRW04KVZ4eDhCyMbGpr6+nnYWgsjl8pUrVyKEnJ2dOVfIc0+sQ4cOIYT4fH5xcTHtLMRpa2tzdXVFCC1ZskQul9OOowYcE6ugoEBfXx8hdPToUdpZNER1dbWpqSlCKC4ujnYWNeCSWGKx2MrKCiG0detW2lk0yuXLl3V0dHg8XlZWFu0sqsIZsbq6ut544w2EkJ+fX1dXF+04miYuLg4hZGxsfO/ePdpZVIIzYm3cuBEhNGXKlLq6OtpZKCCXywUCAULIxcWlpaWFdpyB4YZYKSkpuGAvKiqinYUabW1tM2bMQAgtXbpU+wt5DohVXFyMC/Zjx47RzkKZO3fuTJgwASG0e/du2lkGgAN39GtubrazsxMIBHiZ5WjGyckpNTV1/PjxVO4dpxYcECsnJ+fOnTuOjo60g2gFEydObG1tzcjIoB1kADgg1uzZsxFChYWFtINoBdevX0cI+fr60g4yABwQy9fXl2GYoqIiKnfi0zYKCgoQQj4+PrSDDAAHxDIzM3N0dHz+/HlpaSntLJRRKBRYLDhjDQ/4fcS9wGjm3r179fX1kydPdnBwoJ1lALghFi6z8vPzaQehDH4HtP90hbgl1rVr12gHoQwWC78bWg43xJo+fbqJicmjR48ePnxIOwtNQKxhhmGY119/HY3u3rC5ufnvv//W19fHH7XQcrghFoIyC6H8/Hy5XO7l5YUnuLQczogFF4Yc6gcRh8Ty9vbW1dUtLS1tb2+nnYUOIBYRDA0N3d3dZTJZcXEx7SwUwL84wzDaP+aO4YxYaHT3hjdv3mxvb586dSq+X6H2wyWx8D8rntMYbXCrH0TcEguveccXR7SzaBoQiyBWVlZTpkzBwzm0s2gaEIsso3M0C085GBsbT5s2jXYWVQGxOEBeXh5CaPbs2TweZ/5enAmKGZ1icWVxX284JpaHh4eRkRFelkQ7i+bgynLk3nBMLF1dXS8vL+VCytEAXjqLf3HaWdSAY2Kh0dcb4sX+7u7uRkZGtLOoAYil7XCxH0QcFYvH4xUXF0ulUtpZNAEXK3fERbGMjY1dXFykUqlIJKKdhTgKhQJ/oBLOWJpg9MxG3759u6mpCU850M6iHpwUa/SUWfh3xHfy5RYcFms0nLE4N0WohJNi4WVJdXV1VVVVtLOQhaOXhIijYikXUo7sk1ZDQ0NlZSVeOks7i9pwUiw0Ohb9Xb9+XaFQ4MX+tLOoDVfFGg0XhtwtsBB3xcIfr6uoqGhpaaGdhRQgFgX09fVfffVVuVx+48YN2lmI0NXVJRQKGYaZNWsW7SyDgatiof/rDUfqaJZQKJRIJPimFbSzDAYOi4Xr95EqFqf7QcRpsfB4dGFhYU9PD+0sww+IRQ2GYcaNG6ejo7Nq1aq7d+/SjjNstLe379u3788//+TxeGPHjqUdZ7DQvc38oCkuLsbzsmPGjEEI6erqrl69mosPjOxNY2NjbGxs76JKT08vOTmZdq7BwEmxTpw4gf+VfX19CwoKIiMj8Z19GIYJCgq6ceMG7YBqU19fHxsba2xsjH3y9fU9d+5cTEwM/jY0NLSjo4N2RvXgmFjd3d3KtzsiIkIqleKf19bWRkZGKjsOX1/fq1ev0o2qIji5gYGBMnlOTo5y66lTp/AmT0/P2tpaijnVhUti1dfXz5s3DyGkr6//008/vbhDXV1dbGwsftoM/iNlZmZqPqeKVFVVRUZG8vl85bm2sLDwxd1EIpG9vT1CyNzcPDc3V/M5BwdnxBIKhba2tgghKyurgoKCfvZsaGjoXal4eHhkZGRo1eOyKioqQkND8Qwgj8cLCgoSCoX97N/Q0BAQEIBLyfj4eI3lHArcEOvnn3/G3Zyfn59YLFblJW1tbYmJiSzLYr1cXV1TUlKoP/L+5s2boaGhOjo6+LIjNDT0n3/+UeWFMpksJiaGYRiE0OrVq7W/5NJ2sfoqqlSks7MzOTnZ2toaH8HBwSExMbGzs5NQ2n7Iy8sLCgrCZujr60dERDx48EDdg6SlpRkaGuKSq6amhkTO4UKrxaqvr587dy7+Sxw5cmTQx5FKpSkpKU5OTlgvW1vbxMREjf3T5+XlLViwADdtZGQUGRn56NGjQR+ttLQUP5bCzMxMmy9QtFeskpISGxsbhJC1tfWwjCD09PRkZGRMnz4d/40nTZoUGxvb3Nw89CO/FLlcnpmZie8ijhAaP358TExMY2Pj0I/c2NgYGBio5SWXlop19OhRPT09hNDcuXPr6+uH8cg9PT2ZmZnKj6ubmprGxsY2NTUNexPKu7Gbm5vHxsY+e/ZsGJuQyWTR0dG4Yw0LC6PSufeP1okllUqjoqJ8fX0NDQ0jIiLIPbA+Ly/P39+/dw/1+PHjIR6zq6srJSXF2dkZH9bGxiYxMfH58+fDEvhFTp8+bWhoGBgYGBAQMIiKjSjaJZZYLA4KCmJZ1t7e/vz58xpoEdfU2ANcUz98+HAQx8FXCcpP/9nb2ycmJkokkmEP/B9u3brl4+PDsqyrqyteyqwlaJFYRUVFHh4eLMt6enqKRCJNNi0SiQQCAe5Z9PT0QkND79y5o+Jr8biGpaUlVmrGjBkaHtdobW1du3Yty7JTpkxJSkrSWLv9oy1ipaam2tjYsCy7bNmy4S2qVKe8vFw5yMTj8QQCQf+z2i0tLfHx8cqRWHd395SUFJlMprHASuRyeVJSkpWVFcuyH3zwgTaMctEXSyqVbtu2jWVZlmWjo6PJFVUqcv/+feWsNh4WLyoq+s8+L84ZZ2ZmUh/cv3z5srOzM8uyCxYsoD6xSFkssVj89ttvsyxrZ2d3+vRpumF6U1NT89JZbbFYHBMT09ecMXUqKyvnzJnDsuz06dP/+OMPikloinXjxg13d3eWZWfOnHnz5k2KSfri8ePHH3/8MR7sRgg5OTnhQRCGYZYuXVpcXEw74EtobW1dt24dy7LW1tZJSUm0zqPUxFIWVcuXL3/69CmtGKqAZ7UnTpw4f/58VeaMqdO75Nq4cSO58Y5+oCCWVCr96KOPlEUV9YlhFWlubhaLxZWVlbSDqIqy5PL399f8xCKjUChQH+DBPXzmt7CweO2119zc3JRbhULh+fPn6+vrWZZdsmSJh4fHf15eU1OTlpb24MEDExOTN998MyAggGEYsVgcFhYmEon4fP7u3bsFAkFfrQNDp6qqav369Xfv3jU2Nj548KCJiUlqaireNGHCBFtb27feesvMzEy5f0tLS2pqakNDw/bt21/6uM3S0tKMjAxvb+8lS5YM0HY/0rm5ubm7u69cuXL58uW4GPrmm2/wpoSEBGtra4FAsGXLljlz5lhaWh4/frz3azMzM21tbRcuXLhly5bg4GCWZaOionp6enBp6ePjc/v2bXL/LoCSlpaWNWvWsCzr4OBw6tQplmUFAkFERMTSpUvt7OxcXFxwdVtbW7tjxw5HR0fck7w4hZqdnb18+XK8dcOGDQO2O4BYH374If66q6srLCzM0tKyurq6qanJw8Pjt99+w5tkMtnixYunTZumrBPlcnlQUNCePXuUh9q+fTvLsrW1tXl5eaGhoeSmfoEX6enpSUhISEtLu3DhAsuyJSUl+OdVVVXOzs6rVq1SKBQXL17ctGlTZmZmQkLCS8XaunVrfHy8SCTy8fFRRSxVb2MyZsyYkJCQixcvlpeXBwcHFxUV4Y/HIIR0dHSmTZtWUlLS2dmJr88Zhvn11197v3zGjBkIobq6Oj8/Py7en47T8Hi8bdu2IYSysrJ6/9ze3n7WrFklJSUIoUWLFi1atAghdPDgwZce5IcffsBf4PmJgRtVPV9DQwNCCK/RVlqFEHry5El2drafn9/YsWOvXbv2+eefNzQ06Ojo4CFshJBEIjlz5oyFhcUrr7yienOABqirq1MOpryU3Nzc6OjoxsZGdY88gFjt7e21tbXV1dWXLl2Kj483Nzfvfb756quvVq1a5evr6+7unpycjBAqKys7evSo8g4wx44dW7NmjZeXl0QiycjIwFICdHny5Eltba1IJNq5c2dpaemKFSv62bmiouLkyZNtbW3qtjJAV5idnZ2dnY2/njlz5p49e3p/NpdlWZlM1tbWVlhY+Pvvvy9btiw8PPy9995TDkybmpo6ODj09PTk5+f/8ssvn3zyibr5gGEnPDwcf2FoaLh582bcS/bF5s2bN23apOx81KCf+svNzS0kJKS0tDQ1NZVl2fT09L723LRpk52dXV1dXV87HDp0iGXZvLy8AYs+gBy4eM/KyqqpqQkJCXF1dX2xSP/xxx9fWrwrmT17tirF+wBd4cSJE93c3FavXu3v779r167W1taX7hYYGCiVSisqKvo6Dl5KKxQK1RYfGG4sLCxsbW3j4uLa2toSEhIItaJq8f7111+3trYqLw3S09MlEolya2VlJULIxMREoVDge79cunTpyZMn/9nB1NR0uHIDQ8TOzi48PPz48eP9Pwe5u7sbL8JR9/iqDjfY29uvX7/+8OHDK1euNDAwiI2NPXLkSEREhKmpqUgkSkpK8vb2dnd3P3jwYFxcXG5u7q5duzo6OiIjI+3t7e/fv79//34LC4vg4GB18wHk2Lp169mzZ7dv337u3DmGYZKTk2UyGX7CyuHDh/l8/qJFiy5cuBAfH5+fny+VSq9cuYIQamlpuXfv3oEDBwwMDNatW9fXwXW+/PLLvrZlZWU5OjriD2AhhDw9Pa9evSoWiwUCwcKFC8vLy48dO5aenl5ZWblixYq9e/fy+fyOjg4+nx8QEPDuu++KxeITJ06kpqYWFxf7+fkdOHBg8uTJw/vWAGrx77//CoXCZcuWTZo0CSGkp6dnYWGRnZ3t4uJiY2MTHR39119/NTU1GRsb3759u6yszNvb28LCYvz48fPmzbt169b+/fvLysr09fW7u7vLysqqq6tDQkL6aqu/uUJVkMvl/T+oeMAdgBHJUMUCgJcC5xKACCAWQAQQCyACiAUQAcQCiABiAUQAsQAigFgAEUAsgAggFkAEEAsgAogFEAHEAogAYgFEALEAIoBYABFALIAIIBZABBALIAKIBRABxAKIAGIBRACxACKAWAARQCyACCAWQAQQCyACiAUQAcQCiABiAUQAsQAigFgAEUAsgAggFkAEEAsgAogFEAHEAogAYgFEALEAIoBYABFALIAIIBZABBALIAKIBRABxAKIAGIBRACxACL8D++0v0iK8m2TAAAA1XpUWHRyZGtpdFBLTCByZGtpdCAyMDIxLjAzLjFkZXYxAAB4nHu/b+09BiDgAWJGBgjghOIGRgYZDZAAoyQHkHQsyc/1K83J0ZBh0JZg1GECCgUZsjEkAGlmRgjNxISfZsZjIjPERGOYDm6gexiZGJiYGZhZGFhYGVjZGNjYGdg4GDgYGUQY2RmZmFlY2TjEYY5m4KzrUXS4k3FiP4jz5e8a+6eJimD2oi3X7b/8DbGHKHOwZ/RlcICy98PYQDX7YWqAevfD9ALNPAAzExQisf8Wg9liALzLNMOLSwsTAAAA7XpUWHRNT0wgcmRraXQgMjAyMS4wMy4xZGV2MQAAeJytk8EKwyAMhu8+RWC3gRKjtrrrOnYYG6OHXkYfYPe9P4sRXAvbDlKJ8H+x+VttVJDHOFyeL6iDBqUAkgR+jZQSTISISp43gTyx0NaELvQ5h4ZXEcbdLwsJW4S4WOOCDdkFTefQL1yO8NcFVy5dDFRqoyNsc0HTB8SyN0TfN7nobVw22ZHe5HR1+592q3ORCnGhaKnlW7hzqPSPEuUqsPIVWIUKrLoKrPoKrOISUoX0ec+VL8r5LpwTMrkKnJqk8+CxP9i5QMzg5lxzug3qDU6Qh1ZEqfuUAAAAuXpUWHRTTUlMRVMgcmRraXQgMjAyMS4wMy4xZGV2MQAAeJxljDEPgjAQhf+KI5h66V17QGAyXdUYVuMAkY0GQmAw4cd71MXi9r533zuHzrnkcSzNM/0GlICHNdGQsyLQ2uaqOsWEkBVMSkNhKKBhZCVSZrSVgoDJkpIDZxzmW6YCxd7Lezf6napmHvx9GsbSwmvx/n1p2q6H2gjPnR/rPvCGfujPIl+b8bb4tpukzKMNCv9sNvzb4PoBoDhHpl9AzI8AAAAASUVORK5CYII=\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAMgAAADICAIAAAAiOjnJAAAABmJLR0QA/wD/AP+gvaeTAAAXjUlEQVR4nO2de1RTV9bANwkvIWB5CAI+QKW2UaRiK0vpLKuCI4gC00KrFlG6ZsaZcYKtD74uHcNU7egUu4KOtnXGadF2fGBFsdLqSLEFHVAeRVQQkEcp70eA8ExI9vfHpZEiAoGce5NwfsvVtZp7c85e9tdzT/Y952wjRAQKRdvwuA6AYphQsShEoGJRiEDFohCBikUhAhWLQgQqFoUIVCwKEahYFCJQsShEoGJRiEDFohCBikUhAhWLQgQqFoUIVCwKEahYFCJQsShEoGJRiEDFohCBikUhAhWLQgQqFoUIVCwKEahYFCJQsShEoGJRiEDFohCBikUhAhWLQgQqFoUIVCwKEYy5DoAzqqqqcnJycnNzJ02a9Oabb1pZWXEdkUFhNH5O9Kuurs7+maysrNraWubzSZMmqVSqgoKCSZMmcRuhIWGwYimVyqKiImZMYv7Z0tLS/wZbW1svLy8vL6+UlJTs7OwtW7YcOXKEq2gND8MRq7e39+HDh+ox6Ycffujo6Oh/g42NjVAoXPAzQqHQyMgIAAoLCz08PAAgLy9PKBRyE73BocdiKRSKoqIitUk5OTldXV39b3ByclJr9OKLLzo5OT2tqc2bN3/yySfBwcGJiYnkAx8X6JNYMpksLy8vOzv7wYMH9+/fz8rK6unp6X9Df5O8vb0dHBxG2HJ9fb27u3tbW1tKSsqyZcsIxD7u0GmxWltb8/Pz1WNSYWGhSqVSXzU2Nn722WcXLFgwZ84coVDo4+Nja2s76r727t27Z8+e+fPnZ2Vl8Xg0CzNWdEssqVR6//59tUkFBQX9wzMxMXF3d1ePSV5eXhYWFtrququra/bs2ZWVlV988cW6deu01ey4hWOx+qcAsrOza2pq+l8VCASzZ89Wz7hfeuklMzMzcsF8+umnkZGRU6ZMKSoqmjBhArmOxgOcidXc3Dxr1iypVNr/QxsbGy8vr/nz5zOJAHd3dzafSiqV6qWXXsrJyTl48ODOnTtZ69cg4Uasnp4ed3f3uro6S0vLQVMAXPHtt98uX778mWeeKS4utre35zASvQe54OHDhwDg6urKSe9Ds3LlSgAQiURcB6LfcPPzp6KiAgDc3Nw46X1oPvzwQ2Nj448++qioqIjrWPQYLsVydXXlpPehef755zdu3KhQKN59912uY9FjuBRr+vTpnPQ+LPv27bOysrpw4UJaWhrXsegr3IhVXl4OOiyWo6PjO++8AwDbt29HXcrz6RH0UTg40dHRU6ZMuX379tmzZ7mORS+hI9bgTJgwQSwWA8C777474I0kZSRwIJZCoaiurubz+VOmTGG/95GzadMmDw+P8vJyuk5rFHAg1k8//aRUKp2dnU1MTNjvfeTw+fy///3vALB///6mpiauw9EzOBBL9ydYalauXLlixYqWlpb9+/dzHYuewYFYuj/B6s8HH3zA5/OPHj1aXFzMdSz6BGcjlr6INW/evIiICLlcvmvXLq5j0SeoWMOzd+9eS0vLhISE9PR0rmPRG+gca3icnZ23bdsGNF+qCXSONSJ27Njh5OSUmZl5/vx5rmPRD9hej6VSqSZMmKBQKDo7O83NzdnseowcP37897//vZubW0FBAdGFrIYB2yNWdXW1XC53dHTUL6sA4K233po7d25ZWdmxY8e4jkUPYFssvZtgqeHz+QcPHgSAvXv30nzpsLAtlj5OsNQEBAT4+flJpdK//e1vXMei69ARSzM++OADHo935MiRkpISrmPRabgRS09HLADw9PQMDw+Xy+W7d+/mOhadhj4KNWb//v0WFhbnzp27efMm17HoLnTE0hgXF5e3334bEWm+dAhYzWMhokAg6OzsbGtr0+sT9Nrb293d3Wtra8+fP//qq69yHY4uwuqIVV9f39nZaW9vr9dWAYBAINizZw8A7Ny5k64vHRRWxTKACZaa3/3ud3PmzCktLf3444+5jkUXYVUsA5hgqeHz+Uw2669//WtzczPX4egcHIilv0msAaxevdrX11cqlR44cIDrWHQOOmKNCSZfGhcX9+jRI65j0S3oHGtMvPDCC+vXr5fL5X/5y1+4jkW3oI/CsbJv3z5TU9PU1FQ6aPWHPgrHytmzZ+VyeX19PV1O0x/2EqTNzc12dnbW1tatra3s9MgC8fHxmzZtMjIyUqlUrq6uZWVlXEekK7A3YjETLEN6DiYmJr711luIeOjQIScnp/Ly8rt373IdlK7AnlgGNsG6fv362rVrlUrl+++/v3Xr1tWrVwMArT+ghu0RyzAmWBkZGSEhIT09PSKRiDmfLSQkBAAuXrzIdWi6AtsjlgGIlZ+fHxAQ0N7eHhERIZFImA+ZI3F/+OGH0tJSbsPTEahYmlFSUrJixQqpVBocHPyvf/1LfcaziYkJcyrupUuXOA1QV6BzLA2oqqry8/Orra1dvnz5mTNnjI1/UUaUeRrSaVYfrJ3PbGNjAwD19fWs9ahdGhoamKJz3t7eMpnsyRtkMpm5uTmPx6upqWE/PF2DpRFLJpNJpVILCws9rWLa1tbm7+//4MEDDw+P5ORkgUDw5D0CgWD58uUqlerKlSvsR6hrsCSWXv8k7OrqCgoKysrKmjlz5tWrV4eoMRYcHAz0aQgArImlvxMspVIZHh5+48YNFxeX//73v0NU0wSA4OBgPp9//fr1trY21iLUTeiINSQq1Vf/939ffvmlnZ3dtWvXhi2lYW9vv3jx4p6enm+++YadAHUWVkcsLZYXZImoqKAPP0zw8/v6669HWC6aZkr7YOc3wpEjR2xtbY2MjAIDA2/dusVOp2Nl924EQFNTvHp15F9i3kNbWVl1d3eTC033YUks5jgNPp/P2LxkyZLk5GSVSsVO76Ph8GEEQD4fz5/X9Kuenp4A8PXXX5OIS19g6VG4YMECAPDy8hKLxba2tt99911AQICnp+fJkyd7e3vZiUEDTp6EqCgwMoLjx0HzbYM0UwrA1qOwubnZyMjIwsKit7dXJpNJJBJ19QBXV1eJRNLR0cFOJMNz8SIaGyMAHjo0ugby8vIAwNHRUalUajc0PYK9zDvzk+r+/fvMv/b09MTHxz///POMXvb29mKxuKmpibV4BiclBc3NEQDfe28szcyYMQMAbt68qa249A72xGK2op86dar/h0qlMikpadGiRYxeAoFAJBL9+OOPrEX1CzIyUCBAANyyZYwt9S8eNj5hT6x9+/YBwDvvvDPo1bS0tMDAQGaxgImJSXh4+L1791iLDRExPx9tbREAw8NxzI8wptDhzJkztRKaPsKeWMwbtKVLlw5xT25u7tq1a5lVAzweLygoqCkzk43gSkrQyQkBMCgIFYqxt6dUKidPngwAd+/eHXtr+gh7YtXW1gLAxIkTh80ylJWViUQiCwuLl6dMQWNj9PHBpCQkl5uoqkI3NwTAZcuwq0tbrf72t78FgPfGNlfTX1itYu/s7AwAJSUlI7m5rq6uIDYWbWwQAAHQwwNPndLKcPILpFL09EQAXLgQB1sMM2qYEXr+/PlabFOPYFWswMBAADh37pwG35HJUCLBqVP79Jo+HSUSbG/XTkAdHbh4MQLg3LnY2KidNn+mu7vb2toaAEpLS7Xbsl7A6obV+fPnA0Bubq4G3xEIICoKHj2C+HgQCqGiArZuBVdXiImBsZ+JvWkT3LoFM2bA1atgZzfW1n6JmZmZv78/jNvFymxafOHCBQBYuXLlKL+vUmFSUt8YA4CWligSYUXF6AMqKMAFC/Dhw9G3MCRnzpwBgCVLlhBqX5dh9ajIiooKV1dXe3v7hoaGMTWUng4HD8KVK4AIJibwxhuwcyfMnTvInQoF3LgBt29DaytYWoKnJ6xYAWwtsmhvb580aZJCoaipqdHTpbOjh2WR7e3tAaCyslILbd29i+HhaGLSN4AxPx77k5mJ7u59V21skMdDAJw8GS9e1ELvI4N5Gp44cYK1HnUEtsXy8/MDgEuXLmmtxbIy/POf0cLisV7XriEiPniAAgFaWODRo9jaiojY2Yn/+Q86OCCfj2wtPTh+/DgABAYGstOd7sC2WDt37gSAmJgYLbfb0IBiMdrZIQAeOICI6OuLAHj58sA7c3LQ1BRdXbG3V8sxDEZdXR2fzzczM2tra2OhO92BbbFOnz4NAEFBQURab2/HuDhsacHycjQywoULB79t3ToE0Gj53lh4+eWXASAhIYGd7nQEtgsIeHl5AUBOTg6R1i0tQSSCiRMhIwMQYdmywW/z9QUAyMggEsMTjM+tO2yL5e7uPnHixMrKyrH+MBya6moAgKlTB7/KfF5TQzCAfjDLOq5cuSKXy9npURdgWywjIyNm5S6pQYtBpQIA+Hkl9EBMTAAAFAqCAfTD1dV13rx5ra2tqamp7PSoC3BQE5rJv5MVy8YGAKCxcfCrzGCp7VT7EIzDrTuciaXZix1NeeEFAICsrMGv3rnz+B5WUE+zVMxQOh5g//cCc57irFmzCPahVKKbG5qb45OLUdvb0cUFLSywuZlgAE/ALFbWm61vY4aDEUsoFFpYWDx69KilpYVUHzwexMRAdzeEhUF9/ePPOzogIgKqqmDbtr7HJVsEBQXBuHoacqKzt7c3AKSmppLtZscOBEBra3z9dYyOxo0b0dERAfD111EuJ9v1E3z//fdAepzWJbgR6w9/+AMAHBrt/ioNSE3FsDCcNg0FAnRywlWr8MsvCS5GfTrqxcpsr+XnCOOhxzNCsDF/Z3jlFXjlFeK9jAAej7dq1aoTJ04kJibOmTOH63CIw8EcC9gUS5cYVzukWV2PpUYul1tZWSmVytbWVktLS/YD4ISenh4HB4e2traHDx8+++yzXIdDFm5GLFNTU6FQqFQqx1UpB4VCYW1t7eLi8uKLL27YsOHy5csKtrL/7MONWED6bbTuUVlZuXjx4p9++kkmk8lkslOnTq1Zs2bq1KlbtmxJT083vMQpZ2KNq2lWfn6+j49Pfn6+UCjMy8srLS09cODAc889V1dXd/To0V/96lfTp0+PiopKT0/nZGZCBK5+jqanpwOAl5cXVwGwxrVr15h9YD4+Pg0NDf0v3bt3TywWz5o1S/2fY/r06SKRKCsri6totQVnYrW3t/P5fFNTU8M++e7EiRMmJiYAEBYW1vX0bdb37t2Ljo5mNvQyCIVCsVj8kNgOItJwJhYiMmcYZWdncxgDOVQqlVgsZiwRiUQjOb5QqVSmpaWJRCJHR8cBhj169IiFmLUIl2KtX78eAP75z39yGAMhuru7161bBwDGxsYff/yxpl+Xy+XJyckbNmxgnqEAwOPxwsP//Y9/YF0diXi1D5dixcbGAsAf//hHDmMgQVNT05IlSwBAIBAkJyePpanu7u6kpKTw8HCBQODtXQWAPB76+KBEgjpeO4ZLsVJSUgBg0aJFHMagdUpLS5977jkAcHZ2zs3N1VazMpns9GnF6tVoatq3z83UFFevxi++0O5RJlqDS7GkUilzMKlC62fIcERmZqaDgwMAeHh4EDqXUCrF+HgMDHy8UdfcHAMDMT5+qKNSzp/H0FB88oDBggIMDcXTpxERN27EyMhBvpuaimvW4FdfaRYnl2Lhz8vfDOOF/4ULF5gKCX5+fq3MFlmSNDX1Gcbn9xlmYYGhoZiUhD09A29+772+ewac9JOWhgC4axciopMTurgM0tHJkwiAhw9rFh5nCVIGg8m/x8XFvfbaa52dnZGRkVeuXFFPuslhawsbNsDly1BRARIJ+PhAVxckJMCaNTB5ct+lASedW1rC1q3ATpkfjsUygPy7UqkUiURbt25FRLFYrE5csYaLC0RFQXo6FBfDvn0wdy5IpXDqFKxZA9OmQVQU5OX13fn221BdDbt3sxGVToilvyNWR0fHb37zmyNHjpiZmX3++ecxMTEcBjNzJuzaBfn5cP8+iMUwezbU1MDhw/Dtt303+PuDvz8cPQqZmcSD4VgspmIF8+uJ20hGQW1t7dKlS5OSkmxtba9du8YkrnQBoRBiYqCwEO7cgW3bICzs8aVDh4DPhz/9CZTKQb6oUkFDw8A/MtmogtBsSqZtVCoVU9J3+/bt+pVcLi4udnd3B4AZM2YUFBRwHc4wMJN3pp7B9u2PJ+MDJu/MBH/QP5pO3rlZmszQ09MTGRkplUqtra1jY2NjY2OFQmFoaGhERMSwlQG55datW0FBQY2Njd7e3klJSUyKQV8Qi+HMGdi9G0JDB1565hl4//2BH96+DZ99pnk32v5/Y6Q0Nzer09MxMTFvvvmmlZUVExKPx1uyZMmxY8d0szL5uXPnzM3NASAkJESHSgANSf8RCxETEhAAIyMJphu4Eau0tJR5A+3s7JyTk8N82NXVpX59wRjG5/N9fHwkEsmA1SYcIpFImPIZIpFIj2owDRALEX/9a+Tx+ornGYhYmZmZzNt7Dw+PisGOpu3s7ExKSgoNDTU1NWUMMzMzCwwMjI+P5/D4MoVCsXnzZkb3w5r+NXPNk2IVFaG5OTo4GIpYiYmJTHra19e3paVl6JulUml8fHxgYKA6M2Rubs4YxvIzSCaTMaeJWlpaavOcS7Z4UixE3LOnb2I+QrGUSvz3v3HtWty4EYf9O2BVLIlEwhRZjYyMlGuyF7mxsTE+Pt7X15d5DAHAxIkTw8PDk5KSNGpndFRVVTH5tsmTJ9+5c4d0dyQYVKzOTpwxQwOxNm/GhQvx9Gk8dgytrPDMmaF6ZEkslUoVHR0NAEZGRmKxeNTtVFZWSiQSHx8ftWG2traMYYTeZN+9e3fq1KkAIBQKy8rKSHTBAikpGB2N5eUDP09Px+ho/OYbRMTY2MFLf+bl4Z49mJmJ33//uHxHVBSGhAzVIxtidXV1hYWFMVOlzz//XCttlpeXSyQS5lUjg4uLi0gkSktL02Kp6SGWq49zduzAsLChbiAuVmNjo4+PDwDY2NjcuHFD6+0z+xH67/+cNm0aY9gYWx7hcvVxSFcXurnhL0uaDoSsWOr0tJubG+n0NGMYsw6Hwc3NLTo6ehT9jmK5+vhBqcQNG3D58mGOViEo1s2bN5k6FAsXLqytrSXXUX/U+xGYo10YmP0IxcXFI2lhjMvVDZv2dnzjDfTxwWHTPqTESkhIYNLTwcHBnKSne3t7GcP6F7ERCoUHDhyoqqp62re0uFzd8CguxnnzcP167Owc/mYiYkkkEh6PpyPpafV+hP6vjJiEft0vt7wQWq5uMDg6Io+HM2b0/XlaeQYGLYvV29urTk/HxcVpt/Exon5lpD7fhnll9Mknn7S2tmZkZJBerq7vSKXY3Pz4z9DpbW2KJZPJVq1axeTHz549q8WWtUtLS8tnn33m7+/PVDVn8iDMD0B/f//xVvSGEFoTS52etrOzYw630H2am5uZV0bGxsbr16/X9H0AZQi0c/Bafn5+YGDgjz/+OGvWrOTkZCbFoEdUV1c7Ojryn1bJgqI5WhDr+vXrr732Wmtr6+LFiy9dusSkGCjjnLGuef/0008DAgJaW1tDQ0NTUlKoVZQ+Rv0QHZCe5jytQNEpRilWT08Pc1aMsbHxRx99pN2YKAbAaDZTSKXSkJCQ7777TiAQnD17NiAgQJtDKMUg0FissrKygICAwsJCZ2fnr776ikkxUCgD0Gzyfvv27UWLFhUWFnp4eGRkZFCrKE9DA7EuXry4dOnSuro6Pz+/9PT0qU8rjEuhjFysuLi4V199lc3TVCj6zbDT+97eXpFIBGNerk4ZVwwzee/u7o6IiDh37pyZmdmJEyeYFAOFMixDidXU1BQUFHTz5k0bG5vExERmBRyFMhKeKlZJSUlAQEBxcbGbm1tycjKzAo5CGSFPnbzL5fLGxsaFCxf+73//o1ZRNGWo1Q25ubmzZ89mdsRTKBrBTSFMisHD8VGRFEOFikUhAhWLQgQqFoUIVCwKEahYFCJQsShEoGJRiEDFohCBikUhAhWLQgQqFoUIVCwKEahYFCJQsShEoGJRiEDFohCBikUhAhWLQgQqFoUIVCwKEahYFCJQsShEoGJRiEDFohCBikUhAhWLQgQqFoUIVCwKEahYFCJQsShEoGJRiPD/RXQAqXgp7dEAAADtelRYdHJka2l0UEtMIHJka2l0IDIwMjEuMDMuMWRldjEAAHice79v7T0GIOABYkYGCOACYm4gbmBkY0gAiTNDaGYon4kJxmeHyMP5HAwKIHlUZQjl3EArGJkYmJgZmFkYmFkZWNkYWNkZ2DkYODgZOBkZONkYRJjYGDnZWJmZWNlY2Tk4xWFOYuBa0sV34GH29/0gjrJRz/7OB0Vg9oyMpXZhb7aD2V62u+yfHXq+D8Q++cTcYerNArC4lHiD/bGNNfYg9v+MrXsYih7uBbFPv++2q1MUdgCxd1XP3P/mDAOY7X57w/6LfGxg9WIATyQz47yzG3MAAADtelRYdE1PTCByZGtpdCAyMDIxLjAzLjFkZXYxAAB4nJ2TQQ4CIQxF95yiF5C0v4PQtePKqIkL7+De+8ciI2GhCyFk8n+Y/9KWEKiu23p6PKkvrCGQMIkQ8ddtZnQHMwf/fYcIZFQl0VS5Mjj6KdOBfiHGHVqWLWlVHG0peYriCYVK4y26tzmKZ1PiVsuSMFkLYsnaO+IyUC7/1OKBrQIrWeam6wlAmhLhkXL9Z7poHXlvsDI3Xb8ZMZNGYUGapWiRbS4JOnVHXgTe32pcaTeulm5cpdHsu3GVR1O6cWXdWH1Om6kKo/kAzkTHyxpe4XGM3RYByzgAAACkelRYdFNNSUxFUyByZGtpdCAyMDIxLjAzLjFkZXYxAAB4nCWOQQ7DMAgEv9JjKjnWsmAblCP39kN5fHF6AlYDQ6ZkHp93MjPly9d9nOzkorRTeijD21UdYtDbiR7mS6Nd6ErFtI2ZzkqqjrERG5yjAvZC1f5bcG4EwGo1+4L7vsJCxFpJw4OPSyIQlUA45EnUpQzogzpLedVFkGL2vCQCuLT3/QMHICmMB/PoWwAAAABJRU5ErkJggg==\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 61,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "show(groups_to_df(rgd.GetRGroupsAsColumns(), [mol1, mol2], include_core=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": 62,
   "metadata": {},
   "outputs": [],
   "source": [
    "core = Chem.MolFromMolBlock(\"\"\"\n",
    "     RDKit          2D\n",
    "\n",
    " 10 10  0  0  0  0  0  0  0  0999 V2000\n",
    "    2.5112   -1.7956    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n",
    "    1.4716   -0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "    1.9947    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "    1.2217    1.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -0.2652    2.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -1.3465    1.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -1.2079   -0.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -2.6949   -0.1618    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n",
    "   -1.7310   -1.7648    0.0000 R#  0  0  0  0  0  0  0  0  0  0  0  0\n",
    "    0.0463   -1.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n",
    "  1  2  1  0\n",
    "  2  3  1  0\n",
    "  3  4  1  0\n",
    "  4  5  1  0\n",
    "  5  6  1  0\n",
    "  6  7  1  0\n",
    "  7  8  1  0\n",
    "  7  9  1  0\n",
    "  7 10  1  0\n",
    " 10  2  1  0\n",
    "M  RGP  3   1   1   8   2   9   3\n",
    "M  END\n",
    "\"\"\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 63,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd793768f0>"
      ]
     },
     "execution_count": 63,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "core"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 64,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"FC1CCCCC(Br)(Cl)C1\")\n",
    "mol2 = Chem.MolFromSmiles(\"C2CC12CC(N)CCC2(OCCO2)C1\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 65,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd79377530>"
      ]
     },
     "execution_count": 65,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol2"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This molecule should fail, as there are two pairs of substituents which can both match the core, so there is an ambiguity."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 66,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 67,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps.onlyMatchAtRGroups = True\n",
    "rgd = rdRGroupDecomposition.RGroupDecomposition(core, ps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 68,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 68,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 69,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "-1"
      ]
     },
     "execution_count": 69,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 70,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 70,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Process()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 71,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'Core': ['C1CCC([*:2])([*:3])CC([*:1])C1'],\n",
       " 'R1': ['F[*:1]'],\n",
       " 'R2': ['Cl[*:2]'],\n",
       " 'R3': ['Br[*:3]']}"
      ]
     },
     "execution_count": 71,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.GetRGroupsAsColumns(asSmiles=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 72,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mol</th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R2</th>\n",
       "      <th>R3</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 72,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "show(groups_to_df(rgd.GetRGroupsAsColumns(), [mol1], include_core=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 73,
   "metadata": {},
   "outputs": [],
   "source": [
    "mol1 = Chem.MolFromSmiles(\"FC1CCCCC(Br)(Cl)C1\")\n",
    "mol2 = Chem.MolFromSmiles(\"C2CC12CC(N)CCCC2(OCCO2)1\")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 74,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7fcd7937b9e0>"
      ]
     },
     "execution_count": 74,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol2"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "This molecule should be added, as the dioxolane is connected to an unlabelled position and does not interfere with the other R-groups. There is no ambiguity with regards to which substituents match the core."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 75,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps = rdRGroupDecomposition.RGroupDecompositionParameters()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 76,
   "metadata": {},
   "outputs": [],
   "source": [
    "ps.onlyMatchAtRGroups = True\n",
    "rgd = rdRGroupDecomposition.RGroupDecomposition(core, ps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 77,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0"
      ]
     },
     "execution_count": 77,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 78,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1"
      ]
     },
     "execution_count": 78,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Add(mol2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 79,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 79,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.Process()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 80,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'Core': ['C1CCC([*:2])([*:3])CC([*:1])C1', 'C1CCC([*:2])([*:3])CC([*:1])C1'],\n",
       " 'R1': ['F[*:1]', 'N[*:1]'],\n",
       " 'R2': ['Cl[*:2]', 'C(C[*:3])[*:2]'],\n",
       " 'R3': ['Br[*:3]', 'C(C[*:3])[*:2]']}"
      ]
     },
     "execution_count": 80,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rgd.GetRGroupsAsColumns(asSmiles=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 81,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Mol</th>\n",
       "      <th>Core</th>\n",
       "      <th>R1</th>\n",
       "      <th>R2</th>\n",
       "      <th>R3</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "      <td><img data-content=\"rdkit/molecule\" src=\"data:image/png;base64,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\" alt=\"Mol\"/></td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "execution_count": 81,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "show(groups_to_df(rgd.GetRGroupsAsColumns(), [mol1, mol2], include_core=True))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "Python 3",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.6.12"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 4
}