SMILES_FINGERPRINTS.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Import Libraries"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 62,
   "metadata": {},
   "outputs": [],
   "source": [
    "import numpy as np\n",
    "import pandas as pd\n",
    "from scipy.spatial.distance import squareform, pdist,jaccard\n",
    "import sys,  datetime, os\n",
    "import requests"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 63,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import Chem\n",
    "from rdkit import DataStructs\n",
    "from rdkit.Chem import MACCSkeys\n",
    "from rdkit.Chem import PandasTools\n",
    "from rdkit import RDConfig\n",
    "from rdkit.Chem import AllChem\n",
    "from rdkit import Avalon\n",
    "from rdkit.Chem.AtomPairs import Pairs\n",
    "from rdkit.Chem.Fingerprints import ClusterMols\n",
    "from rdkit.Chem.Fingerprints import FingerprintMols\n",
    "from rdkit.Chem import rdMolDescriptors\n",
    "from rdkit.Chem.Pharm2D import Gobbi_Pharm2D,Generate\n",
    "from rdkit.Chem.Pharm2D.SigFactory import SigFactory\n",
    "from rdkit.Chem import ChemicalFeatures"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Load Data: Training"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 75,
   "metadata": {},
   "outputs": [
    {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>pert_id</th>\n",
       "      <th>InChIKeys</th>\n",
       "      <th>SMILEs</th>\n",
       "      <th>Unnamed: 0</th>\n",
       "    </tr>\n",
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      "text/plain": [
       "         pert_id                    InChIKeys                                                               SMILEs  Unnamed: 0\n",
       "0  BRD-A60245366  RCYPVQCPYKNSTG-UHFFFAOYSA-N               C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4         3.0\n",
       "1  BRD-K18135438  RUDATBOHQWOJDD-BSWAIDMHSA-N                    CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C         5.0\n",
       "2  BRD-K54771420  RFDAIACWWDREDC-FRVQLJSFSA-N          CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C         6.0\n",
       "3  BRD-K88573743  YWTBGJGMTBHQTM-IBGZPJMESA-N            CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CNC5=CC=CC=C54)N        10.0\n",
       "4  BRD-K66175015  ULXXDDBFHOBEHA-CWDCEQMOSA-N  CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4        12.0"
      ]
     },
     "execution_count": 75,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "##Change file name for other chemicals. SMILEs for that molecule is neededss\n",
    "df = pd.read_table('Output/PubChemID_SMILES_InchI_pertid_2018_08.tsv')\n",
    "df.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 76,
   "metadata": {},
   "outputs": [],
   "source": [
    "df = df.drop(columns = ['InChIKeys', 'Unnamed: 0'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 77,
   "metadata": {},
   "outputs": [
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>pert_id</th>\n",
       "      <th>SMILEs</th>\n",
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      "text/plain": [
       "         pert_id                                                  SMILEs\n",
       "0  BRD-A60245366  C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4\n",
       "1  BRD-K18135438       CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C"
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     "metadata": {},
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   ],
   "source": [
    "df.head(2)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Molecule Column"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 78,
   "metadata": {},
   "outputs": [],
   "source": [
    "molecule = [Chem.MolFromSmiles(x) for x in df['SMILEs']]\n",
    "df.loc[:,'Molecule'] = pd.Series(molecule, index=df.index)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 79,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(False, 5435)"
      ]
     },
     "execution_count": 79,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#Check that there is no null values in the df\n",
    "None in df['Molecule'], len(df['Molecule'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 80,
   "metadata": {},
   "outputs": [],
   "source": [
    "all_drugs = list(df[\"pert_id\"])"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## MACCs Fingerprints"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 81,
   "metadata": {},
   "outputs": [],
   "source": [
    "macc_fps = [MACCSkeys.GenMACCSKeys(x) for x in df['Molecule']]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 83,
   "metadata": {
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "macc_np_fps = []\n",
    "for fp in macc_fps:\n",
    "    arr = np.zeros((1,))\n",
    "    DataStructs.ConvertToNumpyArray(fp, arr)\n",
    "    macc_np_fps.append(arr)\n",
    "\n",
    "macc_df = pd.DataFrame(macc_np_fps, index = all_drugs)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 84,
   "metadata": {},
   "outputs": [],
   "source": [
    "column_labels = []\n",
    "for col in macc_df.columns:\n",
    "    column_labels.append('MACC_'+ str(col))\n",
    "\n",
    "macc_df.columns = column_labels"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 85,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>BRD-K18135438</th>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "               MACC_0  MACC_1  MACC_2  MACC_3  MACC_4  MACC_5  MACC_6  MACC_7  MACC_8  MACC_9  MACC_10  MACC_11  MACC_12  MACC_13  MACC_14  MACC_15  MACC_16  MACC_17  MACC_18  MACC_19  MACC_20  MACC_21  MACC_22  MACC_23  MACC_24  MACC_25  MACC_26  MACC_27  MACC_28  MACC_29  MACC_30  MACC_31  MACC_32  MACC_33  MACC_34  MACC_35  MACC_36  MACC_37  MACC_38  MACC_39  MACC_40  MACC_41  MACC_42  MACC_43  MACC_44  MACC_45  MACC_46  MACC_47  MACC_48  MACC_49  MACC_50  MACC_51  MACC_52  MACC_53  MACC_54  MACC_55  MACC_56  MACC_57  MACC_58  MACC_59  MACC_60  MACC_61  MACC_62  MACC_63  MACC_64  MACC_65  MACC_66  MACC_67  MACC_68  MACC_69  MACC_70  MACC_71  MACC_72  MACC_73  MACC_74  MACC_75  MACC_76  MACC_77  MACC_78  MACC_79  MACC_80  MACC_81  MACC_82  MACC_83  MACC_84  MACC_85  MACC_86  MACC_87  MACC_88  MACC_89  MACC_90  MACC_91  MACC_92  MACC_93  MACC_94  MACC_95  MACC_96  MACC_97  MACC_98  MACC_99  MACC_100  MACC_101  MACC_102  MACC_103  MACC_104  MACC_105  MACC_106  MACC_107  MACC_108  MACC_109  MACC_110  MACC_111  MACC_112  MACC_113  MACC_114  MACC_115  MACC_116  MACC_117  MACC_118  MACC_119  MACC_120  MACC_121  MACC_122  MACC_123  MACC_124  MACC_125  MACC_126  MACC_127  MACC_128  MACC_129  MACC_130  MACC_131  MACC_132  MACC_133  MACC_134  MACC_135  MACC_136  MACC_137  MACC_138  MACC_139  MACC_140  MACC_141  MACC_142  MACC_143  MACC_144  MACC_145  MACC_146  MACC_147  MACC_148  MACC_149  MACC_150  MACC_151  MACC_152  MACC_153  MACC_154  MACC_155  MACC_156  MACC_157  MACC_158  MACC_159  MACC_160  MACC_161  MACC_162  MACC_163  MACC_164  MACC_165  MACC_166\n",
       "BRD-A60245366     0.0     0.0     0.0     0.0     0.0     0.0     0.0     0.0     0.0     0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      1.0      1.0      1.0      1.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      1.0      0.0      1.0      0.0       1.0       1.0       0.0       0.0       1.0       1.0       1.0       0.0       0.0       0.0       0.0       1.0       0.0       0.0       0.0       0.0       0.0       0.0       1.0       0.0       1.0       1.0       0.0       0.0       0.0       1.0       0.0       0.0       0.0       0.0       0.0       0.0       0.0       1.0       0.0       1.0       0.0       1.0       0.0       0.0       0.0       0.0       1.0       0.0       0.0       1.0       0.0       1.0       0.0       0.0       0.0       1.0       0.0       1.0       0.0       1.0       1.0       0.0       1.0       0.0       0.0       1.0       1.0       1.0       0.0       1.0       0.0\n",
       "BRD-K18135438     0.0     0.0     0.0     0.0     0.0     0.0     0.0     0.0     0.0     0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      0.0      1.0      1.0      0.0      0.0      0.0      0.0      1.0      0.0      0.0      0.0       0.0       1.0       0.0       0.0       1.0       1.0       0.0       0.0       1.0       0.0       0.0       0.0       1.0       0.0       0.0       1.0       1.0       0.0       1.0       0.0       0.0       0.0       0.0       1.0       0.0       0.0       0.0       1.0       1.0       1.0       0.0       1.0       1.0       0.0       0.0       0.0       0.0       0.0       0.0       1.0       1.0       1.0       0.0       1.0       0.0       1.0       1.0       1.0       0.0       1.0       1.0       0.0       1.0       0.0       1.0       1.0       0.0       1.0       0.0       1.0       1.0       0.0       0.0       1.0       1.0       1.0       0.0"
      ]
     },
     "execution_count": 85,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "macc_df.head(2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 86,
   "metadata": {},
   "outputs": [],
   "source": [
    "filename = 'Output/MACCs_BMatrix_map_%s.tsv.zip'% str(datetime.date.today())[0:7].replace('-', '_')\n",
    "macc_df.to_csv(filename, sep='\\t', compression='gzip')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Morgan Fingerprints"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 90,
   "metadata": {},
   "outputs": [],
   "source": [
    "#change radius and useFeatures = True as needed \n",
    "morg_fps = [AllChem.GetMorganFingerprintAsBitVect(x, 4) for x in df['Molecule']]\n",
    "\n",
    "morg_np_fps = []\n",
    "for fp in morg_fps:\n",
    "    arr = np.zeros((1,))\n",
    "    DataStructs.ConvertToNumpyArray(fp, arr)\n",
    "    morg_np_fps.append(arr)\n",
    "\n",
    "morg_df = pd.DataFrame(morg_np_fps, index = all_drugs)\n",
    "\n",
    "column_labels = []\n",
    "for col in morg_df.columns:\n",
    "    column_labels.append('Morg4_' + str(col))\n",
    "morg_df.columns = column_labels\n",
    "\n",
    "filename = 'Output/Morg4_BMatrix_map_%s.tsv.zip'% str(datetime.date.today())[0:7].replace('-', '_')\n",
    "morg_df.to_csv(filename, sep='\\t', compression='gzip')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Avalon Fingerprints"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 91,
   "metadata": {
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "avalon_fps = [Avalon.pyAvalonTools.GetAvalonFP(x) for x in df['Molecule']]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 92,
   "metadata": {},
   "outputs": [],
   "source": [
    "avalon_np_fps = []\n",
    "for fp in avalon_fps:\n",
    "    arr = np.zeros((1,))\n",
    "    DataStructs.ConvertToNumpyArray(fp, arr)\n",
    "    avalon_np_fps.append(arr)\n",
    "\n",
    "avalon_df = pd.DataFrame(avalon_np_fps, index = all_drugs)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 93,
   "metadata": {},
   "outputs": [],
   "source": [
    "column_labels = []\n",
    "for col in avalon_df.columns:\n",
    "    column_labels.append('Avalon_' + str(col))\n",
    "avalon_df.columns = column_labels"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 94,
   "metadata": {},
   "outputs": [
    {
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       "      <th>Avalon_2</th>\n",
       "      <th>Avalon_3</th>\n",
       "      <th>Avalon_4</th>\n",
       "      <th>Avalon_5</th>\n",
       "      <th>Avalon_6</th>\n",
       "      <th>Avalon_7</th>\n",
       "      <th>Avalon_8</th>\n",
       "      <th>Avalon_9</th>\n",
       "      <th>Avalon_10</th>\n",
       "      <th>Avalon_11</th>\n",
       "      <th>Avalon_12</th>\n",
       "      <th>Avalon_13</th>\n",
       "      <th>Avalon_14</th>\n",
       "      <th>Avalon_15</th>\n",
       "      <th>Avalon_16</th>\n",
       "      <th>Avalon_17</th>\n",
       "      <th>Avalon_18</th>\n",
       "      <th>Avalon_19</th>\n",
       "      <th>Avalon_20</th>\n",
       "      <th>Avalon_21</th>\n",
       "      <th>Avalon_22</th>\n",
       "      <th>Avalon_23</th>\n",
       "      <th>Avalon_24</th>\n",
       "      <th>Avalon_25</th>\n",
       "      <th>Avalon_26</th>\n",
       "      <th>Avalon_27</th>\n",
       "      <th>Avalon_28</th>\n",
       "      <th>Avalon_29</th>\n",
       "      <th>Avalon_30</th>\n",
       "      <th>Avalon_31</th>\n",
       "      <th>Avalon_32</th>\n",
       "      <th>Avalon_33</th>\n",
       "      <th>Avalon_34</th>\n",
       "      <th>Avalon_35</th>\n",
       "      <th>Avalon_36</th>\n",
       "      <th>Avalon_37</th>\n",
       "      <th>Avalon_38</th>\n",
       "      <th>Avalon_39</th>\n",
       "      <th>Avalon_40</th>\n",
       "      <th>Avalon_41</th>\n",
       "      <th>Avalon_42</th>\n",
       "      <th>Avalon_43</th>\n",
       "      <th>Avalon_44</th>\n",
       "      <th>Avalon_45</th>\n",
       "      <th>Avalon_46</th>\n",
       "      <th>Avalon_47</th>\n",
       "      <th>Avalon_48</th>\n",
       "      <th>Avalon_49</th>\n",
       "      <th>Avalon_50</th>\n",
       "      <th>Avalon_51</th>\n",
       "      <th>Avalon_52</th>\n",
       "      <th>Avalon_53</th>\n",
       "      <th>Avalon_54</th>\n",
       "      <th>Avalon_55</th>\n",
       "      <th>Avalon_56</th>\n",
       "      <th>Avalon_57</th>\n",
       "      <th>Avalon_58</th>\n",
       "      <th>Avalon_59</th>\n",
       "      <th>Avalon_60</th>\n",
       "      <th>Avalon_61</th>\n",
       "      <th>Avalon_62</th>\n",
       "      <th>Avalon_63</th>\n",
       "      <th>Avalon_64</th>\n",
       "      <th>Avalon_65</th>\n",
       "      <th>Avalon_66</th>\n",
       "      <th>Avalon_67</th>\n",
       "      <th>Avalon_68</th>\n",
       "      <th>Avalon_69</th>\n",
       "      <th>Avalon_70</th>\n",
       "      <th>Avalon_71</th>\n",
       "      <th>Avalon_72</th>\n",
       "      <th>Avalon_73</th>\n",
       "      <th>Avalon_74</th>\n",
       "      <th>Avalon_75</th>\n",
       "      <th>Avalon_76</th>\n",
       "      <th>Avalon_77</th>\n",
       "      <th>Avalon_78</th>\n",
       "      <th>Avalon_79</th>\n",
       "      <th>Avalon_80</th>\n",
       "      <th>Avalon_81</th>\n",
       "      <th>Avalon_82</th>\n",
       "      <th>Avalon_83</th>\n",
       "      <th>Avalon_84</th>\n",
       "      <th>Avalon_85</th>\n",
       "      <th>Avalon_86</th>\n",
       "      <th>Avalon_87</th>\n",
       "      <th>Avalon_88</th>\n",
       "      <th>Avalon_89</th>\n",
       "      <th>Avalon_90</th>\n",
       "      <th>Avalon_91</th>\n",
       "      <th>Avalon_92</th>\n",
       "      <th>Avalon_93</th>\n",
       "      <th>Avalon_94</th>\n",
       "      <th>Avalon_95</th>\n",
       "      <th>Avalon_96</th>\n",
       "      <th>Avalon_97</th>\n",
       "      <th>Avalon_98</th>\n",
       "      <th>Avalon_99</th>\n",
       "      <th>Avalon_100</th>\n",
       "      <th>Avalon_101</th>\n",
       "      <th>Avalon_102</th>\n",
       "      <th>Avalon_103</th>\n",
       "      <th>Avalon_104</th>\n",
       "      <th>Avalon_105</th>\n",
       "      <th>Avalon_106</th>\n",
       "      <th>Avalon_107</th>\n",
       "      <th>Avalon_108</th>\n",
       "      <th>Avalon_109</th>\n",
       "      <th>Avalon_110</th>\n",
       "      <th>Avalon_111</th>\n",
       "      <th>Avalon_112</th>\n",
       "      <th>Avalon_113</th>\n",
       "      <th>Avalon_114</th>\n",
       "      <th>Avalon_115</th>\n",
       "      <th>Avalon_116</th>\n",
       "      <th>Avalon_117</th>\n",
       "      <th>Avalon_118</th>\n",
       "      <th>Avalon_119</th>\n",
       "      <th>Avalon_120</th>\n",
       "      <th>Avalon_121</th>\n",
       "      <th>Avalon_122</th>\n",
       "      <th>Avalon_123</th>\n",
       "      <th>Avalon_124</th>\n",
       "      <th>Avalon_125</th>\n",
       "      <th>Avalon_126</th>\n",
       "      <th>Avalon_127</th>\n",
       "      <th>Avalon_128</th>\n",
       "      <th>Avalon_129</th>\n",
       "      <th>Avalon_130</th>\n",
       "      <th>Avalon_131</th>\n",
       "      <th>Avalon_132</th>\n",
       "      <th>Avalon_133</th>\n",
       "      <th>Avalon_134</th>\n",
       "      <th>Avalon_135</th>\n",
       "      <th>Avalon_136</th>\n",
       "      <th>Avalon_137</th>\n",
       "      <th>Avalon_138</th>\n",
       "      <th>Avalon_139</th>\n",
       "      <th>Avalon_140</th>\n",
       "      <th>Avalon_141</th>\n",
       "      <th>Avalon_142</th>\n",
       "      <th>Avalon_143</th>\n",
       "      <th>Avalon_144</th>\n",
       "      <th>Avalon_145</th>\n",
       "      <th>Avalon_146</th>\n",
       "      <th>Avalon_147</th>\n",
       "      <th>Avalon_148</th>\n",
       "      <th>Avalon_149</th>\n",
       "      <th>Avalon_150</th>\n",
       "      <th>Avalon_151</th>\n",
       "      <th>Avalon_152</th>\n",
       "      <th>Avalon_153</th>\n",
       "      <th>Avalon_154</th>\n",
       "      <th>Avalon_155</th>\n",
       "      <th>Avalon_156</th>\n",
       "      <th>Avalon_157</th>\n",
       "      <th>Avalon_158</th>\n",
       "      <th>Avalon_159</th>\n",
       "      <th>Avalon_160</th>\n",
       "      <th>Avalon_161</th>\n",
       "      <th>Avalon_162</th>\n",
       "      <th>Avalon_163</th>\n",
       "      <th>Avalon_164</th>\n",
       "      <th>Avalon_165</th>\n",
       "      <th>Avalon_166</th>\n",
       "      <th>Avalon_167</th>\n",
       "      <th>Avalon_168</th>\n",
       "      <th>Avalon_169</th>\n",
       "      <th>Avalon_170</th>\n",
       "      <th>Avalon_171</th>\n",
       "      <th>Avalon_172</th>\n",
       "      <th>Avalon_173</th>\n",
       "      <th>Avalon_174</th>\n",
       "      <th>Avalon_175</th>\n",
       "      <th>Avalon_176</th>\n",
       "      <th>Avalon_177</th>\n",
       "      <th>Avalon_178</th>\n",
       "      <th>Avalon_179</th>\n",
       "      <th>Avalon_180</th>\n",
       "      <th>Avalon_181</th>\n",
       "      <th>Avalon_182</th>\n",
       "      <th>Avalon_183</th>\n",
       "      <th>Avalon_184</th>\n",
       "      <th>Avalon_185</th>\n",
       "      <th>Avalon_186</th>\n",
       "      <th>Avalon_187</th>\n",
       "      <th>Avalon_188</th>\n",
       "      <th>Avalon_189</th>\n",
       "      <th>Avalon_190</th>\n",
       "      <th>Avalon_191</th>\n",
       "      <th>Avalon_192</th>\n",
       "      <th>Avalon_193</th>\n",
       "      <th>Avalon_194</th>\n",
       "      <th>Avalon_195</th>\n",
       "      <th>Avalon_196</th>\n",
       "      <th>Avalon_197</th>\n",
       "      <th>Avalon_198</th>\n",
       "      <th>Avalon_199</th>\n",
       "      <th>Avalon_200</th>\n",
       "      <th>Avalon_201</th>\n",
       "      <th>Avalon_202</th>\n",
       "      <th>Avalon_203</th>\n",
       "      <th>Avalon_204</th>\n",
       "      <th>Avalon_205</th>\n",
       "      <th>Avalon_206</th>\n",
       "      <th>Avalon_207</th>\n",
       "      <th>Avalon_208</th>\n",
       "      <th>Avalon_209</th>\n",
       "      <th>Avalon_210</th>\n",
       "      <th>Avalon_211</th>\n",
       "      <th>Avalon_212</th>\n",
       "      <th>Avalon_213</th>\n",
       "      <th>Avalon_214</th>\n",
       "      <th>Avalon_215</th>\n",
       "      <th>Avalon_216</th>\n",
       "      <th>Avalon_217</th>\n",
       "      <th>Avalon_218</th>\n",
       "      <th>Avalon_219</th>\n",
       "      <th>Avalon_220</th>\n",
       "      <th>Avalon_221</th>\n",
       "      <th>Avalon_222</th>\n",
       "      <th>Avalon_223</th>\n",
       "      <th>Avalon_224</th>\n",
       "      <th>Avalon_225</th>\n",
       "      <th>Avalon_226</th>\n",
       "      <th>Avalon_227</th>\n",
       "      <th>Avalon_228</th>\n",
       "      <th>Avalon_229</th>\n",
       "      <th>Avalon_230</th>\n",
       "      <th>Avalon_231</th>\n",
       "      <th>Avalon_232</th>\n",
       "      <th>Avalon_233</th>\n",
       "      <th>Avalon_234</th>\n",
       "      <th>Avalon_235</th>\n",
       "      <th>Avalon_236</th>\n",
       "      <th>Avalon_237</th>\n",
       "      <th>Avalon_238</th>\n",
       "      <th>Avalon_239</th>\n",
       "      <th>Avalon_240</th>\n",
       "      <th>Avalon_241</th>\n",
       "      <th>Avalon_242</th>\n",
       "      <th>Avalon_243</th>\n",
       "      <th>Avalon_244</th>\n",
       "      <th>Avalon_245</th>\n",
       "      <th>Avalon_246</th>\n",
       "      <th>Avalon_247</th>\n",
       "      <th>Avalon_248</th>\n",
       "      <th>Avalon_249</th>\n",
       "      <th>Avalon_250</th>\n",
       "      <th>Avalon_251</th>\n",
       "      <th>Avalon_252</th>\n",
       "      <th>Avalon_253</th>\n",
       "      <th>Avalon_254</th>\n",
       "      <th>Avalon_255</th>\n",
       "      <th>Avalon_256</th>\n",
       "      <th>Avalon_257</th>\n",
       "      <th>Avalon_258</th>\n",
       "      <th>Avalon_259</th>\n",
       "      <th>Avalon_260</th>\n",
       "      <th>Avalon_261</th>\n",
       "      <th>Avalon_262</th>\n",
       "      <th>Avalon_263</th>\n",
       "      <th>Avalon_264</th>\n",
       "      <th>Avalon_265</th>\n",
       "      <th>Avalon_266</th>\n",
       "      <th>Avalon_267</th>\n",
       "      <th>Avalon_268</th>\n",
       "      <th>Avalon_269</th>\n",
       "      <th>Avalon_270</th>\n",
       "      <th>Avalon_271</th>\n",
       "      <th>Avalon_272</th>\n",
       "      <th>Avalon_273</th>\n",
       "      <th>Avalon_274</th>\n",
       "      <th>Avalon_275</th>\n",
       "      <th>Avalon_276</th>\n",
       "      <th>Avalon_277</th>\n",
       "      <th>Avalon_278</th>\n",
       "      <th>Avalon_279</th>\n",
       "      <th>Avalon_280</th>\n",
       "      <th>Avalon_281</th>\n",
       "      <th>Avalon_282</th>\n",
       "      <th>Avalon_283</th>\n",
       "      <th>Avalon_284</th>\n",
       "      <th>Avalon_285</th>\n",
       "      <th>Avalon_286</th>\n",
       "      <th>Avalon_287</th>\n",
       "      <th>Avalon_288</th>\n",
       "      <th>Avalon_289</th>\n",
       "      <th>Avalon_290</th>\n",
       "      <th>Avalon_291</th>\n",
       "      <th>Avalon_292</th>\n",
       "      <th>Avalon_293</th>\n",
       "      <th>Avalon_294</th>\n",
       "      <th>Avalon_295</th>\n",
       "      <th>Avalon_296</th>\n",
       "      <th>Avalon_297</th>\n",
       "      <th>Avalon_298</th>\n",
       "      <th>Avalon_299</th>\n",
       "      <th>Avalon_300</th>\n",
       "      <th>Avalon_301</th>\n",
       "      <th>Avalon_302</th>\n",
       "      <th>Avalon_303</th>\n",
       "      <th>Avalon_304</th>\n",
       "      <th>Avalon_305</th>\n",
       "      <th>Avalon_306</th>\n",
       "      <th>Avalon_307</th>\n",
       "      <th>Avalon_308</th>\n",
       "      <th>Avalon_309</th>\n",
       "      <th>Avalon_310</th>\n",
       "      <th>Avalon_311</th>\n",
       "      <th>Avalon_312</th>\n",
       "      <th>Avalon_313</th>\n",
       "      <th>Avalon_314</th>\n",
       "      <th>Avalon_315</th>\n",
       "      <th>Avalon_316</th>\n",
       "      <th>Avalon_317</th>\n",
       "      <th>Avalon_318</th>\n",
       "      <th>Avalon_319</th>\n",
       "      <th>Avalon_320</th>\n",
       "      <th>Avalon_321</th>\n",
       "      <th>Avalon_322</th>\n",
       "      <th>Avalon_323</th>\n",
       "      <th>Avalon_324</th>\n",
       "      <th>Avalon_325</th>\n",
       "      <th>Avalon_326</th>\n",
       "      <th>Avalon_327</th>\n",
       "      <th>Avalon_328</th>\n",
       "      <th>Avalon_329</th>\n",
       "      <th>Avalon_330</th>\n",
       "      <th>Avalon_331</th>\n",
       "      <th>Avalon_332</th>\n",
       "      <th>Avalon_333</th>\n",
       "      <th>Avalon_334</th>\n",
       "      <th>Avalon_335</th>\n",
       "      <th>Avalon_336</th>\n",
       "      <th>Avalon_337</th>\n",
       "      <th>Avalon_338</th>\n",
       "      <th>Avalon_339</th>\n",
       "      <th>Avalon_340</th>\n",
       "      <th>Avalon_341</th>\n",
       "      <th>Avalon_342</th>\n",
       "      <th>Avalon_343</th>\n",
       "      <th>Avalon_344</th>\n",
       "      <th>Avalon_345</th>\n",
       "      <th>Avalon_346</th>\n",
       "      <th>Avalon_347</th>\n",
       "      <th>Avalon_348</th>\n",
       "      <th>Avalon_349</th>\n",
       "      <th>Avalon_350</th>\n",
       "      <th>Avalon_351</th>\n",
       "      <th>Avalon_352</th>\n",
       "      <th>Avalon_353</th>\n",
       "      <th>Avalon_354</th>\n",
       "      <th>Avalon_355</th>\n",
       "      <th>Avalon_356</th>\n",
       "      <th>Avalon_357</th>\n",
       "      <th>Avalon_358</th>\n",
       "      <th>Avalon_359</th>\n",
       "      <th>Avalon_360</th>\n",
       "      <th>Avalon_361</th>\n",
       "      <th>Avalon_362</th>\n",
       "      <th>Avalon_363</th>\n",
       "      <th>Avalon_364</th>\n",
       "      <th>Avalon_365</th>\n",
       "      <th>Avalon_366</th>\n",
       "      <th>Avalon_367</th>\n",
       "      <th>Avalon_368</th>\n",
       "      <th>Avalon_369</th>\n",
       "      <th>Avalon_370</th>\n",
       "      <th>Avalon_371</th>\n",
       "      <th>Avalon_372</th>\n",
       "      <th>Avalon_373</th>\n",
       "      <th>Avalon_374</th>\n",
       "      <th>Avalon_375</th>\n",
       "      <th>Avalon_376</th>\n",
       "      <th>Avalon_377</th>\n",
       "      <th>Avalon_378</th>\n",
       "      <th>Avalon_379</th>\n",
       "      <th>Avalon_380</th>\n",
       "      <th>Avalon_381</th>\n",
       "      <th>Avalon_382</th>\n",
       "      <th>Avalon_383</th>\n",
       "      <th>Avalon_384</th>\n",
       "      <th>Avalon_385</th>\n",
       "      <th>Avalon_386</th>\n",
       "      <th>Avalon_387</th>\n",
       "      <th>Avalon_388</th>\n",
       "      <th>Avalon_389</th>\n",
       "      <th>Avalon_390</th>\n",
       "      <th>Avalon_391</th>\n",
       "      <th>Avalon_392</th>\n",
       "      <th>Avalon_393</th>\n",
       "      <th>Avalon_394</th>\n",
       "      <th>Avalon_395</th>\n",
       "      <th>Avalon_396</th>\n",
       "      <th>Avalon_397</th>\n",
       "      <th>Avalon_398</th>\n",
       "      <th>Avalon_399</th>\n",
       "      <th>Avalon_400</th>\n",
       "      <th>Avalon_401</th>\n",
       "      <th>Avalon_402</th>\n",
       "      <th>Avalon_403</th>\n",
       "      <th>Avalon_404</th>\n",
       "      <th>Avalon_405</th>\n",
       "      <th>Avalon_406</th>\n",
       "      <th>Avalon_407</th>\n",
       "      <th>Avalon_408</th>\n",
       "      <th>Avalon_409</th>\n",
       "      <th>Avalon_410</th>\n",
       "      <th>Avalon_411</th>\n",
       "      <th>Avalon_412</th>\n",
       "      <th>Avalon_413</th>\n",
       "      <th>Avalon_414</th>\n",
       "      <th>Avalon_415</th>\n",
       "      <th>Avalon_416</th>\n",
       "      <th>Avalon_417</th>\n",
       "      <th>Avalon_418</th>\n",
       "      <th>Avalon_419</th>\n",
       "      <th>Avalon_420</th>\n",
       "      <th>Avalon_421</th>\n",
       "      <th>Avalon_422</th>\n",
       "      <th>Avalon_423</th>\n",
       "      <th>Avalon_424</th>\n",
       "      <th>Avalon_425</th>\n",
       "      <th>Avalon_426</th>\n",
       "      <th>Avalon_427</th>\n",
       "      <th>Avalon_428</th>\n",
       "      <th>Avalon_429</th>\n",
       "      <th>Avalon_430</th>\n",
       "      <th>Avalon_431</th>\n",
       "      <th>Avalon_432</th>\n",
       "      <th>Avalon_433</th>\n",
       "      <th>Avalon_434</th>\n",
       "      <th>Avalon_435</th>\n",
       "      <th>Avalon_436</th>\n",
       "      <th>Avalon_437</th>\n",
       "      <th>Avalon_438</th>\n",
       "      <th>Avalon_439</th>\n",
       "      <th>Avalon_440</th>\n",
       "      <th>Avalon_441</th>\n",
       "      <th>Avalon_442</th>\n",
       "      <th>Avalon_443</th>\n",
       "      <th>Avalon_444</th>\n",
       "      <th>Avalon_445</th>\n",
       "      <th>Avalon_446</th>\n",
       "      <th>Avalon_447</th>\n",
       "      <th>Avalon_448</th>\n",
       "      <th>Avalon_449</th>\n",
       "      <th>Avalon_450</th>\n",
       "      <th>Avalon_451</th>\n",
       "      <th>Avalon_452</th>\n",
       "      <th>Avalon_453</th>\n",
       "      <th>Avalon_454</th>\n",
       "      <th>Avalon_455</th>\n",
       "      <th>Avalon_456</th>\n",
       "      <th>Avalon_457</th>\n",
       "      <th>Avalon_458</th>\n",
       "      <th>Avalon_459</th>\n",
       "      <th>Avalon_460</th>\n",
       "      <th>Avalon_461</th>\n",
       "      <th>Avalon_462</th>\n",
       "      <th>Avalon_463</th>\n",
       "      <th>Avalon_464</th>\n",
       "      <th>Avalon_465</th>\n",
       "      <th>Avalon_466</th>\n",
       "      <th>Avalon_467</th>\n",
       "      <th>Avalon_468</th>\n",
       "      <th>Avalon_469</th>\n",
       "      <th>Avalon_470</th>\n",
       "      <th>Avalon_471</th>\n",
       "      <th>Avalon_472</th>\n",
       "      <th>Avalon_473</th>\n",
       "      <th>Avalon_474</th>\n",
       "      <th>Avalon_475</th>\n",
       "      <th>Avalon_476</th>\n",
       "      <th>Avalon_477</th>\n",
       "      <th>Avalon_478</th>\n",
       "      <th>Avalon_479</th>\n",
       "      <th>Avalon_480</th>\n",
       "      <th>Avalon_481</th>\n",
       "      <th>Avalon_482</th>\n",
       "      <th>Avalon_483</th>\n",
       "      <th>Avalon_484</th>\n",
       "      <th>Avalon_485</th>\n",
       "      <th>Avalon_486</th>\n",
       "      <th>Avalon_487</th>\n",
       "      <th>Avalon_488</th>\n",
       "      <th>Avalon_489</th>\n",
       "      <th>Avalon_490</th>\n",
       "      <th>Avalon_491</th>\n",
       "      <th>Avalon_492</th>\n",
       "      <th>Avalon_493</th>\n",
       "      <th>Avalon_494</th>\n",
       "      <th>Avalon_495</th>\n",
       "      <th>Avalon_496</th>\n",
       "      <th>Avalon_497</th>\n",
       "      <th>Avalon_498</th>\n",
       "      <th>Avalon_499</th>\n",
       "      <th>Avalon_500</th>\n",
       "      <th>Avalon_501</th>\n",
       "      <th>Avalon_502</th>\n",
       "      <th>Avalon_503</th>\n",
       "      <th>Avalon_504</th>\n",
       "      <th>Avalon_505</th>\n",
       "      <th>Avalon_506</th>\n",
       "      <th>Avalon_507</th>\n",
       "      <th>Avalon_508</th>\n",
       "      <th>Avalon_509</th>\n",
       "      <th>Avalon_510</th>\n",
       "      <th>Avalon_511</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>BRD-A60245366</th>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "               Avalon_0  Avalon_1  Avalon_2  Avalon_3  Avalon_4  Avalon_5  Avalon_6  Avalon_7  Avalon_8  Avalon_9  Avalon_10  Avalon_11  Avalon_12  Avalon_13  Avalon_14  Avalon_15  Avalon_16  Avalon_17  Avalon_18  Avalon_19  Avalon_20  Avalon_21  Avalon_22  Avalon_23  Avalon_24  Avalon_25  Avalon_26  Avalon_27  Avalon_28  Avalon_29  Avalon_30  Avalon_31  Avalon_32  Avalon_33  Avalon_34  Avalon_35  Avalon_36  Avalon_37  Avalon_38  Avalon_39  Avalon_40  Avalon_41  Avalon_42  Avalon_43  Avalon_44  Avalon_45  Avalon_46  Avalon_47  Avalon_48  Avalon_49  Avalon_50  Avalon_51  Avalon_52  Avalon_53  Avalon_54  Avalon_55  Avalon_56  Avalon_57  Avalon_58  Avalon_59  Avalon_60  Avalon_61  Avalon_62  Avalon_63  Avalon_64  Avalon_65  Avalon_66  Avalon_67  Avalon_68  Avalon_69  Avalon_70  Avalon_71  Avalon_72  Avalon_73  Avalon_74  Avalon_75  Avalon_76  Avalon_77  Avalon_78  Avalon_79  Avalon_80  Avalon_81  Avalon_82  Avalon_83  Avalon_84  Avalon_85  Avalon_86  Avalon_87  Avalon_88  Avalon_89  Avalon_90  Avalon_91  Avalon_92  Avalon_93  Avalon_94  Avalon_95  Avalon_96  Avalon_97  Avalon_98  Avalon_99  Avalon_100  Avalon_101  Avalon_102  Avalon_103  Avalon_104  Avalon_105  Avalon_106  Avalon_107  Avalon_108  Avalon_109  Avalon_110  Avalon_111  Avalon_112  Avalon_113  Avalon_114  Avalon_115  Avalon_116  Avalon_117  Avalon_118  Avalon_119  Avalon_120  Avalon_121  Avalon_122  Avalon_123  Avalon_124  Avalon_125  Avalon_126  Avalon_127  Avalon_128  Avalon_129  Avalon_130  Avalon_131  Avalon_132  Avalon_133  Avalon_134  Avalon_135  Avalon_136  Avalon_137  Avalon_138  Avalon_139  Avalon_140  Avalon_141  Avalon_142  Avalon_143  Avalon_144  Avalon_145  Avalon_146  Avalon_147  Avalon_148  Avalon_149  Avalon_150  Avalon_151  Avalon_152  Avalon_153  Avalon_154  Avalon_155  Avalon_156  Avalon_157  Avalon_158  Avalon_159  Avalon_160  Avalon_161  Avalon_162  Avalon_163  Avalon_164  Avalon_165  Avalon_166  Avalon_167  Avalon_168  Avalon_169  Avalon_170  Avalon_171  Avalon_172  Avalon_173  Avalon_174  Avalon_175  Avalon_176  Avalon_177  Avalon_178  Avalon_179  Avalon_180  Avalon_181  Avalon_182  Avalon_183  Avalon_184  Avalon_185  Avalon_186  Avalon_187  Avalon_188  Avalon_189  Avalon_190  Avalon_191  Avalon_192  Avalon_193  Avalon_194  Avalon_195  Avalon_196  Avalon_197  Avalon_198  Avalon_199  Avalon_200  Avalon_201  Avalon_202  Avalon_203  Avalon_204  Avalon_205  Avalon_206  Avalon_207  Avalon_208  Avalon_209  Avalon_210  Avalon_211  Avalon_212  Avalon_213  Avalon_214  Avalon_215  Avalon_216  Avalon_217  Avalon_218  Avalon_219  Avalon_220  Avalon_221  Avalon_222  Avalon_223  Avalon_224  Avalon_225  Avalon_226  Avalon_227  Avalon_228  Avalon_229  Avalon_230  Avalon_231  Avalon_232  Avalon_233  Avalon_234  Avalon_235  Avalon_236  Avalon_237  Avalon_238  Avalon_239  Avalon_240  Avalon_241  Avalon_242  Avalon_243  Avalon_244  Avalon_245  Avalon_246  Avalon_247  Avalon_248  Avalon_249  Avalon_250  Avalon_251  Avalon_252  Avalon_253  Avalon_254  Avalon_255  Avalon_256  Avalon_257  Avalon_258  Avalon_259  Avalon_260  Avalon_261  Avalon_262  Avalon_263  Avalon_264  Avalon_265  Avalon_266  Avalon_267  Avalon_268  Avalon_269  Avalon_270  Avalon_271  Avalon_272  Avalon_273  Avalon_274  Avalon_275  Avalon_276  Avalon_277  Avalon_278  Avalon_279  Avalon_280  Avalon_281  Avalon_282  Avalon_283  Avalon_284  Avalon_285  Avalon_286  Avalon_287  Avalon_288  Avalon_289  Avalon_290  Avalon_291  Avalon_292  Avalon_293  Avalon_294  Avalon_295  Avalon_296  Avalon_297  Avalon_298  Avalon_299  Avalon_300  Avalon_301  Avalon_302  Avalon_303  Avalon_304  Avalon_305  Avalon_306  Avalon_307  Avalon_308  Avalon_309  Avalon_310  Avalon_311  Avalon_312  Avalon_313  Avalon_314  Avalon_315  Avalon_316  Avalon_317  Avalon_318  Avalon_319  Avalon_320  Avalon_321  Avalon_322  Avalon_323  Avalon_324  Avalon_325  Avalon_326  Avalon_327  Avalon_328  Avalon_329  Avalon_330  Avalon_331  Avalon_332  Avalon_333  Avalon_334  Avalon_335  Avalon_336  Avalon_337  Avalon_338  Avalon_339  Avalon_340  Avalon_341  Avalon_342  Avalon_343  Avalon_344  Avalon_345  Avalon_346  Avalon_347  Avalon_348  Avalon_349  Avalon_350  Avalon_351  Avalon_352  Avalon_353  Avalon_354  Avalon_355  Avalon_356  Avalon_357  Avalon_358  Avalon_359  Avalon_360  Avalon_361  Avalon_362  Avalon_363  Avalon_364  Avalon_365  Avalon_366  Avalon_367  Avalon_368  Avalon_369  Avalon_370  Avalon_371  Avalon_372  Avalon_373  Avalon_374  Avalon_375  Avalon_376  Avalon_377  Avalon_378  Avalon_379  Avalon_380  Avalon_381  Avalon_382  Avalon_383  Avalon_384  Avalon_385  Avalon_386  Avalon_387  Avalon_388  Avalon_389  Avalon_390  Avalon_391  Avalon_392  Avalon_393  Avalon_394  Avalon_395  Avalon_396  Avalon_397  Avalon_398  Avalon_399  Avalon_400  Avalon_401  Avalon_402  Avalon_403  Avalon_404  Avalon_405  Avalon_406  Avalon_407  Avalon_408  Avalon_409  Avalon_410  Avalon_411  Avalon_412  Avalon_413  Avalon_414  Avalon_415  Avalon_416  Avalon_417  Avalon_418  Avalon_419  Avalon_420  Avalon_421  Avalon_422  Avalon_423  Avalon_424  Avalon_425  Avalon_426  Avalon_427  Avalon_428  Avalon_429  Avalon_430  Avalon_431  Avalon_432  Avalon_433  Avalon_434  Avalon_435  Avalon_436  Avalon_437  Avalon_438  Avalon_439  Avalon_440  Avalon_441  Avalon_442  Avalon_443  Avalon_444  Avalon_445  Avalon_446  Avalon_447  Avalon_448  Avalon_449  Avalon_450  Avalon_451  Avalon_452  Avalon_453  Avalon_454  Avalon_455  Avalon_456  Avalon_457  Avalon_458  Avalon_459  Avalon_460  Avalon_461  Avalon_462  Avalon_463  Avalon_464  Avalon_465  Avalon_466  Avalon_467  Avalon_468  Avalon_469  Avalon_470  Avalon_471  Avalon_472  Avalon_473  Avalon_474  Avalon_475  Avalon_476  Avalon_477  Avalon_478  Avalon_479  Avalon_480  Avalon_481  Avalon_482  Avalon_483  Avalon_484  Avalon_485  Avalon_486  Avalon_487  Avalon_488  Avalon_489  Avalon_490  Avalon_491  Avalon_492  Avalon_493  Avalon_494  Avalon_495  Avalon_496  Avalon_497  Avalon_498  Avalon_499  Avalon_500  Avalon_501  Avalon_502  Avalon_503  Avalon_504  Avalon_505  Avalon_506  Avalon_507  Avalon_508  Avalon_509  Avalon_510  Avalon_511\n",
       "BRD-A60245366       1.0       0.0       0.0       0.0       1.0       1.0       0.0       1.0       1.0       1.0        1.0        0.0        0.0        1.0        0.0        1.0        1.0        0.0        0.0        1.0        1.0        1.0        0.0        1.0        0.0        0.0        0.0        1.0        0.0        1.0        1.0        1.0        1.0        0.0        1.0        0.0        1.0        0.0        1.0        1.0        0.0        1.0        1.0        0.0        1.0        0.0        0.0        0.0        1.0        1.0        1.0        0.0        0.0        0.0        1.0        1.0        0.0        1.0        0.0        1.0        1.0        1.0        0.0        1.0        0.0        1.0        0.0        1.0        1.0        1.0        1.0        1.0        1.0        0.0        0.0        1.0        1.0        1.0        1.0        0.0        1.0        1.0        1.0        0.0        0.0        1.0        1.0        0.0        1.0        0.0        0.0        1.0        0.0        0.0        1.0        0.0        1.0        0.0        1.0        1.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         1.0         0.0         0.0         1.0         1.0         1.0         0.0         0.0         1.0         0.0         0.0         1.0         1.0         1.0         1.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         1.0         1.0         1.0         1.0         1.0         0.0         0.0         1.0         0.0         1.0         1.0         0.0         0.0         0.0         0.0         0.0         1.0         1.0         1.0         1.0         0.0         1.0         1.0         1.0         1.0         0.0         0.0         0.0         1.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         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       "BRD-K18135438       0.0       0.0       1.0       1.0       0.0       0.0       0.0       1.0       0.0       0.0        1.0        0.0        0.0        1.0        0.0        0.0        0.0        0.0        0.0        0.0        0.0        0.0        0.0        1.0        0.0        0.0        0.0        0.0        0.0        0.0        0.0        1.0        0.0        0.0        1.0        0.0        0.0        1.0        0.0        1.0        0.0        1.0        0.0        0.0        1.0        0.0        0.0        0.0        1.0        0.0        0.0        0.0        0.0        0.0        0.0        0.0        0.0        0.0        1.0        1.0        0.0        0.0        0.0        0.0        0.0        0.0        0.0        1.0        0.0        1.0        1.0        0.0        1.0        0.0        0.0        1.0        0.0        1.0        0.0        0.0        1.0        1.0        0.0        0.0        0.0        1.0        0.0        0.0        0.0        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       0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         1.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         1.0         1.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         1.0         0.0         1.0         1.0         0.0         0.0         1.0         0.0         0.0         0.0         1.0         1.0         1.0         0.0         1.0         1.0         0.0         1.0         0.0         1.0         1.0         0.0         0.0         1.0         1.0         1.0         1.0         1.0         0.0         1.0         1.0         0.0         0.0         0.0         1.0         0.0         1.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         1.0         1.0         1.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         1.0         1.0         0.0         0.0         0.0         1.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         1.0         1.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         1.0         1.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         1.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         1.0         0.0         1.0         1.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0         1.0         1.0         0.0         0.0         0.0         1.0         1.0         0.0         1.0         1.0         1.0         0.0         1.0         0.0         0.0         0.0         0.0         1.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         0.0         1.0         0.0"
      ]
     },
     "execution_count": 94,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "avalon_df.head(2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 95,
   "metadata": {},
   "outputs": [],
   "source": [
    "filename = 'Output/Avalon_BMatrix_map_%s.tsv.zip'% str(datetime.date.today())[0:7].replace('-', '_')\n",
    "avalon_df.to_csv(filename, sep='\\t', compression='gzip')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Atom Pairs Fingerprints"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 96,
   "metadata": {},
   "outputs": [],
   "source": [
    "atom_pairs_fps = [rdMolDescriptors.GetHashedAtomPairFingerprintAsBitVect(x) for x in df['Molecule']]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 98,
   "metadata": {
    "scrolled": true
   },
   "outputs": [],
   "source": [
    "ap_np_fps = []\n",
    "for fp in atom_pairs_fps:\n",
    "    arr = np.zeros((1,))\n",
    "    DataStructs.ConvertToNumpyArray(fp, arr)\n",
    "    ap_np_fps.append(arr)\n",
    "\n",
    "ap_df = pd.DataFrame(ap_np_fps, index = all_drugs)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 99,
   "metadata": {},
   "outputs": [],
   "source": [
    "column_labels = []\n",
    "for col in ap_df.columns:\n",
    "    column_labels.append('AtomPair_' + str(col))\n",
    "ap_df.columns = column_labels"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 100,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>AtomPair_0</th>\n",
       "      <th>AtomPair_1</th>\n",
       "      <th>AtomPair_2</th>\n",
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       "      <th>AtomPair_4</th>\n",
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       "      <th>AtomPair_6</th>\n",
       "      <th>AtomPair_7</th>\n",
       "      <th>AtomPair_8</th>\n",
       "      <th>AtomPair_9</th>\n",
       "      <th>AtomPair_10</th>\n",
       "      <th>AtomPair_11</th>\n",
       "      <th>AtomPair_12</th>\n",
       "      <th>AtomPair_13</th>\n",
       "      <th>AtomPair_14</th>\n",
       "      <th>AtomPair_15</th>\n",
       "      <th>AtomPair_16</th>\n",
       "      <th>AtomPair_17</th>\n",
       "      <th>AtomPair_18</th>\n",
       "      <th>AtomPair_19</th>\n",
       "      <th>AtomPair_20</th>\n",
       "      <th>AtomPair_21</th>\n",
       "      <th>AtomPair_22</th>\n",
       "      <th>AtomPair_23</th>\n",
       "      <th>AtomPair_24</th>\n",
       "      <th>AtomPair_25</th>\n",
       "      <th>AtomPair_26</th>\n",
       "      <th>AtomPair_27</th>\n",
       "      <th>AtomPair_28</th>\n",
       "      <th>AtomPair_29</th>\n",
       "      <th>AtomPair_30</th>\n",
       "      <th>AtomPair_31</th>\n",
       "      <th>AtomPair_32</th>\n",
       "      <th>AtomPair_33</th>\n",
       "      <th>AtomPair_34</th>\n",
       "      <th>AtomPair_35</th>\n",
       "      <th>AtomPair_36</th>\n",
       "      <th>AtomPair_37</th>\n",
       "      <th>AtomPair_38</th>\n",
       "      <th>AtomPair_39</th>\n",
       "      <th>AtomPair_40</th>\n",
       "      <th>AtomPair_41</th>\n",
       "      <th>AtomPair_42</th>\n",
       "      <th>AtomPair_43</th>\n",
       "      <th>AtomPair_44</th>\n",
       "      <th>AtomPair_45</th>\n",
       "      <th>AtomPair_46</th>\n",
       "      <th>AtomPair_47</th>\n",
       "      <th>AtomPair_48</th>\n",
       "      <th>AtomPair_49</th>\n",
       "      <th>AtomPair_50</th>\n",
       "      <th>AtomPair_51</th>\n",
       "      <th>AtomPair_52</th>\n",
       "      <th>AtomPair_53</th>\n",
       "      <th>AtomPair_54</th>\n",
       "      <th>AtomPair_55</th>\n",
       "      <th>AtomPair_56</th>\n",
       "      <th>AtomPair_57</th>\n",
       "      <th>AtomPair_58</th>\n",
       "      <th>AtomPair_59</th>\n",
       "      <th>AtomPair_60</th>\n",
       "      <th>AtomPair_61</th>\n",
       "      <th>AtomPair_62</th>\n",
       "      <th>AtomPair_63</th>\n",
       "      <th>AtomPair_64</th>\n",
       "      <th>AtomPair_65</th>\n",
       "      <th>AtomPair_66</th>\n",
       "      <th>AtomPair_67</th>\n",
       "      <th>AtomPair_68</th>\n",
       "      <th>AtomPair_69</th>\n",
       "      <th>AtomPair_70</th>\n",
       "      <th>AtomPair_71</th>\n",
       "      <th>AtomPair_72</th>\n",
       "      <th>AtomPair_73</th>\n",
       "      <th>AtomPair_74</th>\n",
       "      <th>AtomPair_75</th>\n",
       "      <th>AtomPair_76</th>\n",
       "      <th>AtomPair_77</th>\n",
       "      <th>AtomPair_78</th>\n",
       "      <th>AtomPair_79</th>\n",
       "      <th>AtomPair_80</th>\n",
       "      <th>AtomPair_81</th>\n",
       "      <th>AtomPair_82</th>\n",
       "      <th>AtomPair_83</th>\n",
       "      <th>AtomPair_84</th>\n",
       "      <th>AtomPair_85</th>\n",
       "      <th>AtomPair_86</th>\n",
       "      <th>AtomPair_87</th>\n",
       "      <th>AtomPair_88</th>\n",
       "      <th>AtomPair_89</th>\n",
       "      <th>AtomPair_90</th>\n",
       "      <th>AtomPair_91</th>\n",
       "      <th>AtomPair_92</th>\n",
       "      <th>AtomPair_93</th>\n",
       "      <th>AtomPair_94</th>\n",
       "      <th>AtomPair_95</th>\n",
       "      <th>AtomPair_96</th>\n",
       "      <th>AtomPair_97</th>\n",
       "      <th>AtomPair_98</th>\n",
       "      <th>AtomPair_99</th>\n",
       "      <th>AtomPair_100</th>\n",
       "      <th>AtomPair_101</th>\n",
       "      <th>AtomPair_102</th>\n",
       "      <th>AtomPair_103</th>\n",
       "      <th>AtomPair_104</th>\n",
       "      <th>AtomPair_105</th>\n",
       "      <th>AtomPair_106</th>\n",
       "      <th>AtomPair_107</th>\n",
       "      <th>AtomPair_108</th>\n",
       "      <th>AtomPair_109</th>\n",
       "      <th>AtomPair_110</th>\n",
       "      <th>AtomPair_111</th>\n",
       "      <th>AtomPair_112</th>\n",
       "      <th>AtomPair_113</th>\n",
       "      <th>AtomPair_114</th>\n",
       "      <th>AtomPair_115</th>\n",
       "      <th>AtomPair_116</th>\n",
       "      <th>AtomPair_117</th>\n",
       "      <th>AtomPair_118</th>\n",
       "      <th>AtomPair_119</th>\n",
       "      <th>AtomPair_120</th>\n",
       "      <th>AtomPair_121</th>\n",
       "      <th>AtomPair_122</th>\n",
       "      <th>AtomPair_123</th>\n",
       "      <th>AtomPair_124</th>\n",
       "      <th>AtomPair_125</th>\n",
       "      <th>AtomPair_126</th>\n",
       "      <th>AtomPair_127</th>\n",
       "      <th>AtomPair_128</th>\n",
       "      <th>AtomPair_129</th>\n",
       "      <th>AtomPair_130</th>\n",
       "      <th>AtomPair_131</th>\n",
       "      <th>AtomPair_132</th>\n",
       "      <th>AtomPair_133</th>\n",
       "      <th>AtomPair_134</th>\n",
       "      <th>AtomPair_135</th>\n",
       "      <th>AtomPair_136</th>\n",
       "      <th>AtomPair_137</th>\n",
       "      <th>AtomPair_138</th>\n",
       "      <th>AtomPair_139</th>\n",
       "      <th>AtomPair_140</th>\n",
       "      <th>AtomPair_141</th>\n",
       "      <th>AtomPair_142</th>\n",
       "      <th>AtomPair_143</th>\n",
       "      <th>AtomPair_144</th>\n",
       "      <th>AtomPair_145</th>\n",
       "      <th>AtomPair_146</th>\n",
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       "      <th>AtomPair_148</th>\n",
       "      <th>AtomPair_149</th>\n",
       "      <th>AtomPair_150</th>\n",
       "      <th>AtomPair_151</th>\n",
       "      <th>AtomPair_152</th>\n",
       "      <th>AtomPair_153</th>\n",
       "      <th>AtomPair_154</th>\n",
       "      <th>AtomPair_155</th>\n",
       "      <th>AtomPair_156</th>\n",
       "      <th>AtomPair_157</th>\n",
       "      <th>AtomPair_158</th>\n",
       "      <th>AtomPair_159</th>\n",
       "      <th>AtomPair_160</th>\n",
       "      <th>AtomPair_161</th>\n",
       "      <th>AtomPair_162</th>\n",
       "      <th>AtomPair_163</th>\n",
       "      <th>AtomPair_164</th>\n",
       "      <th>AtomPair_165</th>\n",
       "      <th>AtomPair_166</th>\n",
       "      <th>AtomPair_167</th>\n",
       "      <th>AtomPair_168</th>\n",
       "      <th>AtomPair_169</th>\n",
       "      <th>AtomPair_170</th>\n",
       "      <th>AtomPair_171</th>\n",
       "      <th>AtomPair_172</th>\n",
       "      <th>AtomPair_173</th>\n",
       "      <th>AtomPair_174</th>\n",
       "      <th>AtomPair_175</th>\n",
       "      <th>AtomPair_176</th>\n",
       "      <th>AtomPair_177</th>\n",
       "      <th>AtomPair_178</th>\n",
       "      <th>AtomPair_179</th>\n",
       "      <th>AtomPair_180</th>\n",
       "      <th>AtomPair_181</th>\n",
       "      <th>AtomPair_182</th>\n",
       "      <th>AtomPair_183</th>\n",
       "      <th>AtomPair_184</th>\n",
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       "      <th>AtomPair_186</th>\n",
       "      <th>AtomPair_187</th>\n",
       "      <th>AtomPair_188</th>\n",
       "      <th>AtomPair_189</th>\n",
       "      <th>AtomPair_190</th>\n",
       "      <th>AtomPair_191</th>\n",
       "      <th>AtomPair_192</th>\n",
       "      <th>AtomPair_193</th>\n",
       "      <th>AtomPair_194</th>\n",
       "      <th>AtomPair_195</th>\n",
       "      <th>AtomPair_196</th>\n",
       "      <th>AtomPair_197</th>\n",
       "      <th>AtomPair_198</th>\n",
       "      <th>AtomPair_199</th>\n",
       "      <th>AtomPair_200</th>\n",
       "      <th>AtomPair_201</th>\n",
       "      <th>AtomPair_202</th>\n",
       "      <th>AtomPair_203</th>\n",
       "      <th>AtomPair_204</th>\n",
       "      <th>AtomPair_205</th>\n",
       "      <th>AtomPair_206</th>\n",
       "      <th>AtomPair_207</th>\n",
       "      <th>AtomPair_208</th>\n",
       "      <th>AtomPair_209</th>\n",
       "      <th>AtomPair_210</th>\n",
       "      <th>AtomPair_211</th>\n",
       "      <th>AtomPair_212</th>\n",
       "      <th>AtomPair_213</th>\n",
       "      <th>AtomPair_214</th>\n",
       "      <th>AtomPair_215</th>\n",
       "      <th>AtomPair_216</th>\n",
       "      <th>AtomPair_217</th>\n",
       "      <th>AtomPair_218</th>\n",
       "      <th>AtomPair_219</th>\n",
       "      <th>AtomPair_220</th>\n",
       "      <th>AtomPair_221</th>\n",
       "      <th>AtomPair_222</th>\n",
       "      <th>AtomPair_223</th>\n",
       "      <th>AtomPair_224</th>\n",
       "      <th>AtomPair_225</th>\n",
       "      <th>AtomPair_226</th>\n",
       "      <th>AtomPair_227</th>\n",
       "      <th>AtomPair_228</th>\n",
       "      <th>AtomPair_229</th>\n",
       "      <th>AtomPair_230</th>\n",
       "      <th>AtomPair_231</th>\n",
       "      <th>AtomPair_232</th>\n",
       "      <th>AtomPair_233</th>\n",
       "      <th>AtomPair_234</th>\n",
       "      <th>AtomPair_235</th>\n",
       "      <th>AtomPair_236</th>\n",
       "      <th>AtomPair_237</th>\n",
       "      <th>AtomPair_238</th>\n",
       "      <th>AtomPair_239</th>\n",
       "      <th>AtomPair_240</th>\n",
       "      <th>AtomPair_241</th>\n",
       "      <th>AtomPair_242</th>\n",
       "      <th>AtomPair_243</th>\n",
       "      <th>AtomPair_244</th>\n",
       "      <th>AtomPair_245</th>\n",
       "      <th>AtomPair_246</th>\n",
       "      <th>AtomPair_247</th>\n",
       "      <th>AtomPair_248</th>\n",
       "      <th>AtomPair_249</th>\n",
       "      <th>AtomPair_250</th>\n",
       "      <th>AtomPair_251</th>\n",
       "      <th>AtomPair_252</th>\n",
       "      <th>AtomPair_253</th>\n",
       "      <th>AtomPair_254</th>\n",
       "      <th>AtomPair_255</th>\n",
       "      <th>AtomPair_256</th>\n",
       "      <th>AtomPair_257</th>\n",
       "      <th>AtomPair_258</th>\n",
       "      <th>AtomPair_259</th>\n",
       "      <th>AtomPair_260</th>\n",
       "      <th>AtomPair_261</th>\n",
       "      <th>AtomPair_262</th>\n",
       "      <th>AtomPair_263</th>\n",
       "      <th>AtomPair_264</th>\n",
       "      <th>AtomPair_265</th>\n",
       "      <th>AtomPair_266</th>\n",
       "      <th>AtomPair_267</th>\n",
       "      <th>AtomPair_268</th>\n",
       "      <th>AtomPair_269</th>\n",
       "      <th>AtomPair_270</th>\n",
       "      <th>AtomPair_271</th>\n",
       "      <th>AtomPair_272</th>\n",
       "      <th>AtomPair_273</th>\n",
       "      <th>AtomPair_274</th>\n",
       "      <th>AtomPair_275</th>\n",
       "      <th>AtomPair_276</th>\n",
       "      <th>AtomPair_277</th>\n",
       "      <th>AtomPair_278</th>\n",
       "      <th>AtomPair_279</th>\n",
       "      <th>AtomPair_280</th>\n",
       "      <th>AtomPair_281</th>\n",
       "      <th>AtomPair_282</th>\n",
       "      <th>AtomPair_283</th>\n",
       "      <th>AtomPair_284</th>\n",
       "      <th>AtomPair_285</th>\n",
       "      <th>AtomPair_286</th>\n",
       "      <th>AtomPair_287</th>\n",
       "      <th>AtomPair_288</th>\n",
       "      <th>AtomPair_289</th>\n",
       "      <th>AtomPair_290</th>\n",
       "      <th>AtomPair_291</th>\n",
       "      <th>AtomPair_292</th>\n",
       "      <th>AtomPair_293</th>\n",
       "      <th>AtomPair_294</th>\n",
       "      <th>AtomPair_295</th>\n",
       "      <th>AtomPair_296</th>\n",
       "      <th>AtomPair_297</th>\n",
       "      <th>AtomPair_298</th>\n",
       "      <th>AtomPair_299</th>\n",
       "      <th>AtomPair_300</th>\n",
       "      <th>AtomPair_301</th>\n",
       "      <th>AtomPair_302</th>\n",
       "      <th>AtomPair_303</th>\n",
       "      <th>AtomPair_304</th>\n",
       "      <th>AtomPair_305</th>\n",
       "      <th>AtomPair_306</th>\n",
       "      <th>AtomPair_307</th>\n",
       "      <th>AtomPair_308</th>\n",
       "      <th>AtomPair_309</th>\n",
       "      <th>AtomPair_310</th>\n",
       "      <th>AtomPair_311</th>\n",
       "      <th>AtomPair_312</th>\n",
       "      <th>AtomPair_313</th>\n",
       "      <th>AtomPair_314</th>\n",
       "      <th>AtomPair_315</th>\n",
       "      <th>AtomPair_316</th>\n",
       "      <th>AtomPair_317</th>\n",
       "      <th>AtomPair_318</th>\n",
       "      <th>AtomPair_319</th>\n",
       "      <th>AtomPair_320</th>\n",
       "      <th>AtomPair_321</th>\n",
       "      <th>AtomPair_322</th>\n",
       "      <th>AtomPair_323</th>\n",
       "      <th>AtomPair_324</th>\n",
       "      <th>AtomPair_325</th>\n",
       "      <th>AtomPair_326</th>\n",
       "      <th>AtomPair_327</th>\n",
       "      <th>AtomPair_328</th>\n",
       "      <th>AtomPair_329</th>\n",
       "      <th>AtomPair_330</th>\n",
       "      <th>AtomPair_331</th>\n",
       "      <th>AtomPair_332</th>\n",
       "      <th>AtomPair_333</th>\n",
       "      <th>AtomPair_334</th>\n",
       "      <th>AtomPair_335</th>\n",
       "      <th>AtomPair_336</th>\n",
       "      <th>AtomPair_337</th>\n",
       "      <th>AtomPair_338</th>\n",
       "      <th>AtomPair_339</th>\n",
       "      <th>AtomPair_340</th>\n",
       "      <th>AtomPair_341</th>\n",
       "      <th>AtomPair_342</th>\n",
       "      <th>AtomPair_343</th>\n",
       "      <th>AtomPair_344</th>\n",
       "      <th>AtomPair_345</th>\n",
       "      <th>AtomPair_346</th>\n",
       "      <th>AtomPair_347</th>\n",
       "      <th>AtomPair_348</th>\n",
       "      <th>AtomPair_349</th>\n",
       "      <th>AtomPair_350</th>\n",
       "      <th>AtomPair_351</th>\n",
       "      <th>AtomPair_352</th>\n",
       "      <th>AtomPair_353</th>\n",
       "      <th>AtomPair_354</th>\n",
       "      <th>AtomPair_355</th>\n",
       "      <th>AtomPair_356</th>\n",
       "      <th>AtomPair_357</th>\n",
       "      <th>AtomPair_358</th>\n",
       "      <th>AtomPair_359</th>\n",
       "      <th>AtomPair_360</th>\n",
       "      <th>AtomPair_361</th>\n",
       "      <th>AtomPair_362</th>\n",
       "      <th>AtomPair_363</th>\n",
       "      <th>AtomPair_364</th>\n",
       "      <th>AtomPair_365</th>\n",
       "      <th>AtomPair_366</th>\n",
       "      <th>AtomPair_367</th>\n",
       "      <th>AtomPair_368</th>\n",
       "      <th>AtomPair_369</th>\n",
       "      <th>AtomPair_370</th>\n",
       "      <th>AtomPair_371</th>\n",
       "      <th>AtomPair_372</th>\n",
       "      <th>AtomPair_373</th>\n",
       "      <th>AtomPair_374</th>\n",
       "      <th>AtomPair_375</th>\n",
       "      <th>AtomPair_376</th>\n",
       "      <th>AtomPair_377</th>\n",
       "      <th>AtomPair_378</th>\n",
       "      <th>AtomPair_379</th>\n",
       "      <th>AtomPair_380</th>\n",
       "      <th>AtomPair_381</th>\n",
       "      <th>AtomPair_382</th>\n",
       "      <th>AtomPair_383</th>\n",
       "      <th>AtomPair_384</th>\n",
       "      <th>AtomPair_385</th>\n",
       "      <th>AtomPair_386</th>\n",
       "      <th>AtomPair_387</th>\n",
       "      <th>AtomPair_388</th>\n",
       "      <th>AtomPair_389</th>\n",
       "      <th>AtomPair_390</th>\n",
       "      <th>AtomPair_391</th>\n",
       "      <th>AtomPair_392</th>\n",
       "      <th>AtomPair_393</th>\n",
       "      <th>AtomPair_394</th>\n",
       "      <th>AtomPair_395</th>\n",
       "      <th>AtomPair_396</th>\n",
       "      <th>AtomPair_397</th>\n",
       "      <th>AtomPair_398</th>\n",
       "      <th>AtomPair_399</th>\n",
       "      <th>AtomPair_400</th>\n",
       "      <th>AtomPair_401</th>\n",
       "      <th>AtomPair_402</th>\n",
       "      <th>AtomPair_403</th>\n",
       "      <th>AtomPair_404</th>\n",
       "      <th>AtomPair_405</th>\n",
       "      <th>AtomPair_406</th>\n",
       "      <th>AtomPair_407</th>\n",
       "      <th>AtomPair_408</th>\n",
       "      <th>AtomPair_409</th>\n",
       "      <th>AtomPair_410</th>\n",
       "      <th>AtomPair_411</th>\n",
       "      <th>AtomPair_412</th>\n",
       "      <th>AtomPair_413</th>\n",
       "      <th>AtomPair_414</th>\n",
       "      <th>AtomPair_415</th>\n",
       "      <th>AtomPair_416</th>\n",
       "      <th>AtomPair_417</th>\n",
       "      <th>AtomPair_418</th>\n",
       "      <th>AtomPair_419</th>\n",
       "      <th>AtomPair_420</th>\n",
       "      <th>AtomPair_421</th>\n",
       "      <th>AtomPair_422</th>\n",
       "      <th>AtomPair_423</th>\n",
       "      <th>AtomPair_424</th>\n",
       "      <th>AtomPair_425</th>\n",
       "      <th>AtomPair_426</th>\n",
       "      <th>AtomPair_427</th>\n",
       "      <th>AtomPair_428</th>\n",
       "      <th>AtomPair_429</th>\n",
       "      <th>AtomPair_430</th>\n",
       "      <th>AtomPair_431</th>\n",
       "      <th>AtomPair_432</th>\n",
       "      <th>AtomPair_433</th>\n",
       "      <th>AtomPair_434</th>\n",
       "      <th>AtomPair_435</th>\n",
       "      <th>AtomPair_436</th>\n",
       "      <th>AtomPair_437</th>\n",
       "      <th>AtomPair_438</th>\n",
       "      <th>AtomPair_439</th>\n",
       "      <th>AtomPair_440</th>\n",
       "      <th>AtomPair_441</th>\n",
       "      <th>AtomPair_442</th>\n",
       "      <th>AtomPair_443</th>\n",
       "      <th>AtomPair_444</th>\n",
       "      <th>AtomPair_445</th>\n",
       "      <th>AtomPair_446</th>\n",
       "      <th>AtomPair_447</th>\n",
       "      <th>AtomPair_448</th>\n",
       "      <th>AtomPair_449</th>\n",
       "      <th>AtomPair_450</th>\n",
       "      <th>AtomPair_451</th>\n",
       "      <th>AtomPair_452</th>\n",
       "      <th>AtomPair_453</th>\n",
       "      <th>AtomPair_454</th>\n",
       "      <th>AtomPair_455</th>\n",
       "      <th>AtomPair_456</th>\n",
       "      <th>AtomPair_457</th>\n",
       "      <th>AtomPair_458</th>\n",
       "      <th>AtomPair_459</th>\n",
       "      <th>AtomPair_460</th>\n",
       "      <th>AtomPair_461</th>\n",
       "      <th>AtomPair_462</th>\n",
       "      <th>AtomPair_463</th>\n",
       "      <th>AtomPair_464</th>\n",
       "      <th>AtomPair_465</th>\n",
       "      <th>AtomPair_466</th>\n",
       "      <th>AtomPair_467</th>\n",
       "      <th>AtomPair_468</th>\n",
       "      <th>AtomPair_469</th>\n",
       "      <th>AtomPair_470</th>\n",
       "      <th>AtomPair_471</th>\n",
       "      <th>AtomPair_472</th>\n",
       "      <th>AtomPair_473</th>\n",
       "      <th>AtomPair_474</th>\n",
       "      <th>AtomPair_475</th>\n",
       "      <th>AtomPair_476</th>\n",
       "      <th>AtomPair_477</th>\n",
       "      <th>AtomPair_478</th>\n",
       "      <th>AtomPair_479</th>\n",
       "      <th>AtomPair_480</th>\n",
       "      <th>AtomPair_481</th>\n",
       "      <th>AtomPair_482</th>\n",
       "      <th>AtomPair_483</th>\n",
       "      <th>AtomPair_484</th>\n",
       "      <th>AtomPair_485</th>\n",
       "      <th>AtomPair_486</th>\n",
       "      <th>AtomPair_487</th>\n",
       "      <th>AtomPair_488</th>\n",
       "      <th>AtomPair_489</th>\n",
       "      <th>AtomPair_490</th>\n",
       "      <th>AtomPair_491</th>\n",
       "      <th>AtomPair_492</th>\n",
       "      <th>AtomPair_493</th>\n",
       "      <th>AtomPair_494</th>\n",
       "      <th>AtomPair_495</th>\n",
       "      <th>AtomPair_496</th>\n",
       "      <th>AtomPair_497</th>\n",
       "      <th>AtomPair_498</th>\n",
       "      <th>AtomPair_499</th>\n",
       "      <th>AtomPair_500</th>\n",
       "      <th>AtomPair_501</th>\n",
       "      <th>AtomPair_502</th>\n",
       "      <th>AtomPair_503</th>\n",
       "      <th>AtomPair_504</th>\n",
       "      <th>AtomPair_505</th>\n",
       "      <th>AtomPair_506</th>\n",
       "      <th>AtomPair_507</th>\n",
       "      <th>AtomPair_508</th>\n",
       "      <th>AtomPair_509</th>\n",
       "      <th>AtomPair_510</th>\n",
       "      <th>AtomPair_511</th>\n",
       "      <th>AtomPair_512</th>\n",
       "      <th>AtomPair_513</th>\n",
       "      <th>AtomPair_514</th>\n",
       "      <th>AtomPair_515</th>\n",
       "      <th>AtomPair_516</th>\n",
       "      <th>AtomPair_517</th>\n",
       "      <th>AtomPair_518</th>\n",
       "      <th>AtomPair_519</th>\n",
       "      <th>AtomPair_520</th>\n",
       "      <th>AtomPair_521</th>\n",
       "      <th>AtomPair_522</th>\n",
       "      <th>AtomPair_523</th>\n",
       "      <th>AtomPair_524</th>\n",
       "      <th>AtomPair_525</th>\n",
       "      <th>AtomPair_526</th>\n",
       "      <th>AtomPair_527</th>\n",
       "      <th>AtomPair_528</th>\n",
       "      <th>AtomPair_529</th>\n",
       "      <th>AtomPair_530</th>\n",
       "      <th>AtomPair_531</th>\n",
       "      <th>AtomPair_532</th>\n",
       "      <th>AtomPair_533</th>\n",
       "      <th>AtomPair_534</th>\n",
       "      <th>AtomPair_535</th>\n",
       "      <th>AtomPair_536</th>\n",
       "      <th>AtomPair_537</th>\n",
       "      <th>AtomPair_538</th>\n",
       "      <th>AtomPair_539</th>\n",
       "      <th>AtomPair_540</th>\n",
       "      <th>AtomPair_541</th>\n",
       "      <th>AtomPair_542</th>\n",
       "      <th>AtomPair_543</th>\n",
       "      <th>AtomPair_544</th>\n",
       "      <th>AtomPair_545</th>\n",
       "      <th>AtomPair_546</th>\n",
       "      <th>AtomPair_547</th>\n",
       "      <th>AtomPair_548</th>\n",
       "      <th>AtomPair_549</th>\n",
       "      <th>AtomPair_550</th>\n",
       "      <th>AtomPair_551</th>\n",
       "      <th>AtomPair_552</th>\n",
       "      <th>AtomPair_553</th>\n",
       "      <th>AtomPair_554</th>\n",
       "      <th>AtomPair_555</th>\n",
       "      <th>AtomPair_556</th>\n",
       "      <th>AtomPair_557</th>\n",
       "      <th>AtomPair_558</th>\n",
       "      <th>AtomPair_559</th>\n",
       "      <th>AtomPair_560</th>\n",
       "      <th>AtomPair_561</th>\n",
       "      <th>AtomPair_562</th>\n",
       "      <th>AtomPair_563</th>\n",
       "      <th>AtomPair_564</th>\n",
       "      <th>AtomPair_565</th>\n",
       "      <th>AtomPair_566</th>\n",
       "      <th>AtomPair_567</th>\n",
       "      <th>AtomPair_568</th>\n",
       "      <th>AtomPair_569</th>\n",
       "      <th>AtomPair_570</th>\n",
       "      <th>AtomPair_571</th>\n",
       "      <th>AtomPair_572</th>\n",
       "      <th>AtomPair_573</th>\n",
       "      <th>AtomPair_574</th>\n",
       "      <th>AtomPair_575</th>\n",
       "      <th>AtomPair_576</th>\n",
       "      <th>AtomPair_577</th>\n",
       "      <th>AtomPair_578</th>\n",
       "      <th>AtomPair_579</th>\n",
       "      <th>AtomPair_580</th>\n",
       "      <th>AtomPair_581</th>\n",
       "      <th>AtomPair_582</th>\n",
       "      <th>AtomPair_583</th>\n",
       "      <th>AtomPair_584</th>\n",
       "      <th>AtomPair_585</th>\n",
       "      <th>AtomPair_586</th>\n",
       "      <th>AtomPair_587</th>\n",
       "      <th>AtomPair_588</th>\n",
       "      <th>AtomPair_589</th>\n",
       "      <th>AtomPair_590</th>\n",
       "      <th>AtomPair_591</th>\n",
       "      <th>AtomPair_592</th>\n",
       "      <th>AtomPair_593</th>\n",
       "      <th>AtomPair_594</th>\n",
       "      <th>AtomPair_595</th>\n",
       "      <th>AtomPair_596</th>\n",
       "      <th>AtomPair_597</th>\n",
       "      <th>AtomPair_598</th>\n",
       "      <th>AtomPair_599</th>\n",
       "      <th>AtomPair_600</th>\n",
       "      <th>AtomPair_601</th>\n",
       "      <th>AtomPair_602</th>\n",
       "      <th>AtomPair_603</th>\n",
       "      <th>AtomPair_604</th>\n",
       "      <th>AtomPair_605</th>\n",
       "      <th>AtomPair_606</th>\n",
       "      <th>AtomPair_607</th>\n",
       "      <th>AtomPair_608</th>\n",
       "      <th>AtomPair_609</th>\n",
       "      <th>AtomPair_610</th>\n",
       "      <th>AtomPair_611</th>\n",
       "      <th>AtomPair_612</th>\n",
       "      <th>AtomPair_613</th>\n",
       "      <th>AtomPair_614</th>\n",
       "      <th>AtomPair_615</th>\n",
       "      <th>AtomPair_616</th>\n",
       "      <th>AtomPair_617</th>\n",
       "      <th>AtomPair_618</th>\n",
       "      <th>AtomPair_619</th>\n",
       "      <th>AtomPair_620</th>\n",
       "      <th>AtomPair_621</th>\n",
       "      <th>AtomPair_622</th>\n",
       "      <th>AtomPair_623</th>\n",
       "      <th>AtomPair_624</th>\n",
       "      <th>AtomPair_625</th>\n",
       "      <th>AtomPair_626</th>\n",
       "      <th>AtomPair_627</th>\n",
       "      <th>AtomPair_628</th>\n",
       "      <th>AtomPair_629</th>\n",
       "      <th>AtomPair_630</th>\n",
       "      <th>AtomPair_631</th>\n",
       "      <th>AtomPair_632</th>\n",
       "      <th>AtomPair_633</th>\n",
       "      <th>AtomPair_634</th>\n",
       "      <th>AtomPair_635</th>\n",
       "      <th>AtomPair_636</th>\n",
       "      <th>AtomPair_637</th>\n",
       "      <th>AtomPair_638</th>\n",
       "      <th>AtomPair_639</th>\n",
       "      <th>AtomPair_640</th>\n",
       "      <th>AtomPair_641</th>\n",
       "      <th>AtomPair_642</th>\n",
       "      <th>AtomPair_643</th>\n",
       "      <th>AtomPair_644</th>\n",
       "      <th>AtomPair_645</th>\n",
       "      <th>AtomPair_646</th>\n",
       "      <th>AtomPair_647</th>\n",
       "      <th>AtomPair_648</th>\n",
       "      <th>AtomPair_649</th>\n",
       "      <th>AtomPair_650</th>\n",
       "      <th>AtomPair_651</th>\n",
       "      <th>AtomPair_652</th>\n",
       "      <th>AtomPair_653</th>\n",
       "      <th>AtomPair_654</th>\n",
       "      <th>AtomPair_655</th>\n",
       "      <th>AtomPair_656</th>\n",
       "      <th>AtomPair_657</th>\n",
       "      <th>AtomPair_658</th>\n",
       "      <th>AtomPair_659</th>\n",
       "      <th>AtomPair_660</th>\n",
       "      <th>AtomPair_661</th>\n",
       "      <th>AtomPair_662</th>\n",
       "      <th>AtomPair_663</th>\n",
       "      <th>AtomPair_664</th>\n",
       "      <th>AtomPair_665</th>\n",
       "      <th>AtomPair_666</th>\n",
       "      <th>AtomPair_667</th>\n",
       "      <th>AtomPair_668</th>\n",
       "      <th>AtomPair_669</th>\n",
       "      <th>AtomPair_670</th>\n",
       "      <th>AtomPair_671</th>\n",
       "      <th>AtomPair_672</th>\n",
       "      <th>AtomPair_673</th>\n",
       "      <th>AtomPair_674</th>\n",
       "      <th>AtomPair_675</th>\n",
       "      <th>AtomPair_676</th>\n",
       "      <th>AtomPair_677</th>\n",
       "      <th>AtomPair_678</th>\n",
       "      <th>AtomPair_679</th>\n",
       "      <th>AtomPair_680</th>\n",
       "      <th>AtomPair_681</th>\n",
       "      <th>AtomPair_682</th>\n",
       "      <th>AtomPair_683</th>\n",
       "      <th>AtomPair_684</th>\n",
       "      <th>AtomPair_685</th>\n",
       "      <th>AtomPair_686</th>\n",
       "      <th>AtomPair_687</th>\n",
       "      <th>AtomPair_688</th>\n",
       "      <th>AtomPair_689</th>\n",
       "      <th>AtomPair_690</th>\n",
       "      <th>AtomPair_691</th>\n",
       "      <th>AtomPair_692</th>\n",
       "      <th>AtomPair_693</th>\n",
       "      <th>AtomPair_694</th>\n",
       "      <th>AtomPair_695</th>\n",
       "      <th>AtomPair_696</th>\n",
       "      <th>AtomPair_697</th>\n",
       "      <th>AtomPair_698</th>\n",
       "      <th>AtomPair_699</th>\n",
       "      <th>AtomPair_700</th>\n",
       "      <th>AtomPair_701</th>\n",
       "      <th>AtomPair_702</th>\n",
       "      <th>AtomPair_703</th>\n",
       "      <th>AtomPair_704</th>\n",
       "      <th>AtomPair_705</th>\n",
       "      <th>AtomPair_706</th>\n",
       "      <th>AtomPair_707</th>\n",
       "      <th>AtomPair_708</th>\n",
       "      <th>AtomPair_709</th>\n",
       "      <th>AtomPair_710</th>\n",
       "      <th>AtomPair_711</th>\n",
       "      <th>AtomPair_712</th>\n",
       "      <th>AtomPair_713</th>\n",
       "      <th>AtomPair_714</th>\n",
       "      <th>AtomPair_715</th>\n",
       "      <th>AtomPair_716</th>\n",
       "      <th>AtomPair_717</th>\n",
       "      <th>AtomPair_718</th>\n",
       "      <th>AtomPair_719</th>\n",
       "      <th>AtomPair_720</th>\n",
       "      <th>AtomPair_721</th>\n",
       "      <th>AtomPair_722</th>\n",
       "      <th>AtomPair_723</th>\n",
       "      <th>AtomPair_724</th>\n",
       "      <th>AtomPair_725</th>\n",
       "      <th>AtomPair_726</th>\n",
       "      <th>AtomPair_727</th>\n",
       "      <th>AtomPair_728</th>\n",
       "      <th>AtomPair_729</th>\n",
       "      <th>AtomPair_730</th>\n",
       "      <th>AtomPair_731</th>\n",
       "      <th>AtomPair_732</th>\n",
       "      <th>AtomPair_733</th>\n",
       "      <th>AtomPair_734</th>\n",
       "      <th>AtomPair_735</th>\n",
       "      <th>AtomPair_736</th>\n",
       "      <th>AtomPair_737</th>\n",
       "      <th>AtomPair_738</th>\n",
       "      <th>AtomPair_739</th>\n",
       "      <th>AtomPair_740</th>\n",
       "      <th>AtomPair_741</th>\n",
       "      <th>AtomPair_742</th>\n",
       "      <th>AtomPair_743</th>\n",
       "      <th>AtomPair_744</th>\n",
       "      <th>AtomPair_745</th>\n",
       "      <th>AtomPair_746</th>\n",
       "      <th>AtomPair_747</th>\n",
       "      <th>AtomPair_748</th>\n",
       "      <th>AtomPair_749</th>\n",
       "      <th>AtomPair_750</th>\n",
       "      <th>AtomPair_751</th>\n",
       "      <th>AtomPair_752</th>\n",
       "      <th>AtomPair_753</th>\n",
       "      <th>AtomPair_754</th>\n",
       "      <th>AtomPair_755</th>\n",
       "      <th>AtomPair_756</th>\n",
       "      <th>AtomPair_757</th>\n",
       "      <th>AtomPair_758</th>\n",
       "      <th>AtomPair_759</th>\n",
       "      <th>AtomPair_760</th>\n",
       "      <th>AtomPair_761</th>\n",
       "      <th>AtomPair_762</th>\n",
       "      <th>AtomPair_763</th>\n",
       "      <th>AtomPair_764</th>\n",
       "      <th>AtomPair_765</th>\n",
       "      <th>AtomPair_766</th>\n",
       "      <th>AtomPair_767</th>\n",
       "      <th>AtomPair_768</th>\n",
       "      <th>AtomPair_769</th>\n",
       "      <th>AtomPair_770</th>\n",
       "      <th>AtomPair_771</th>\n",
       "      <th>AtomPair_772</th>\n",
       "      <th>AtomPair_773</th>\n",
       "      <th>AtomPair_774</th>\n",
       "      <th>AtomPair_775</th>\n",
       "      <th>AtomPair_776</th>\n",
       "      <th>AtomPair_777</th>\n",
       "      <th>AtomPair_778</th>\n",
       "      <th>AtomPair_779</th>\n",
       "      <th>AtomPair_780</th>\n",
       "      <th>AtomPair_781</th>\n",
       "      <th>AtomPair_782</th>\n",
       "      <th>AtomPair_783</th>\n",
       "      <th>AtomPair_784</th>\n",
       "      <th>AtomPair_785</th>\n",
       "      <th>AtomPair_786</th>\n",
       "      <th>AtomPair_787</th>\n",
       "      <th>AtomPair_788</th>\n",
       "      <th>AtomPair_789</th>\n",
       "      <th>AtomPair_790</th>\n",
       "      <th>AtomPair_791</th>\n",
       "      <th>AtomPair_792</th>\n",
       "      <th>AtomPair_793</th>\n",
       "      <th>AtomPair_794</th>\n",
       "      <th>AtomPair_795</th>\n",
       "      <th>AtomPair_796</th>\n",
       "      <th>AtomPair_797</th>\n",
       "      <th>AtomPair_798</th>\n",
       "      <th>AtomPair_799</th>\n",
       "      <th>AtomPair_800</th>\n",
       "      <th>AtomPair_801</th>\n",
       "      <th>AtomPair_802</th>\n",
       "      <th>AtomPair_803</th>\n",
       "      <th>AtomPair_804</th>\n",
       "      <th>AtomPair_805</th>\n",
       "      <th>AtomPair_806</th>\n",
       "      <th>AtomPair_807</th>\n",
       "      <th>AtomPair_808</th>\n",
       "      <th>AtomPair_809</th>\n",
       "      <th>AtomPair_810</th>\n",
       "      <th>AtomPair_811</th>\n",
       "      <th>AtomPair_812</th>\n",
       "      <th>AtomPair_813</th>\n",
       "      <th>AtomPair_814</th>\n",
       "      <th>AtomPair_815</th>\n",
       "      <th>AtomPair_816</th>\n",
       "      <th>AtomPair_817</th>\n",
       "      <th>AtomPair_818</th>\n",
       "      <th>AtomPair_819</th>\n",
       "      <th>AtomPair_820</th>\n",
       "      <th>AtomPair_821</th>\n",
       "      <th>AtomPair_822</th>\n",
       "      <th>AtomPair_823</th>\n",
       "      <th>AtomPair_824</th>\n",
       "      <th>AtomPair_825</th>\n",
       "      <th>AtomPair_826</th>\n",
       "      <th>AtomPair_827</th>\n",
       "      <th>AtomPair_828</th>\n",
       "      <th>AtomPair_829</th>\n",
       "      <th>AtomPair_830</th>\n",
       "      <th>AtomPair_831</th>\n",
       "      <th>AtomPair_832</th>\n",
       "      <th>AtomPair_833</th>\n",
       "      <th>AtomPair_834</th>\n",
       "      <th>AtomPair_835</th>\n",
       "      <th>AtomPair_836</th>\n",
       "      <th>AtomPair_837</th>\n",
       "      <th>AtomPair_838</th>\n",
       "      <th>AtomPair_839</th>\n",
       "      <th>AtomPair_840</th>\n",
       "      <th>AtomPair_841</th>\n",
       "      <th>AtomPair_842</th>\n",
       "      <th>AtomPair_843</th>\n",
       "      <th>AtomPair_844</th>\n",
       "      <th>AtomPair_845</th>\n",
       "      <th>AtomPair_846</th>\n",
       "      <th>AtomPair_847</th>\n",
       "      <th>AtomPair_848</th>\n",
       "      <th>AtomPair_849</th>\n",
       "      <th>AtomPair_850</th>\n",
       "      <th>AtomPair_851</th>\n",
       "      <th>AtomPair_852</th>\n",
       "      <th>AtomPair_853</th>\n",
       "      <th>AtomPair_854</th>\n",
       "      <th>AtomPair_855</th>\n",
       "      <th>AtomPair_856</th>\n",
       "      <th>AtomPair_857</th>\n",
       "      <th>AtomPair_858</th>\n",
       "      <th>AtomPair_859</th>\n",
       "      <th>AtomPair_860</th>\n",
       "      <th>AtomPair_861</th>\n",
       "      <th>AtomPair_862</th>\n",
       "      <th>AtomPair_863</th>\n",
       "      <th>AtomPair_864</th>\n",
       "      <th>AtomPair_865</th>\n",
       "      <th>AtomPair_866</th>\n",
       "      <th>AtomPair_867</th>\n",
       "      <th>AtomPair_868</th>\n",
       "      <th>AtomPair_869</th>\n",
       "      <th>AtomPair_870</th>\n",
       "      <th>AtomPair_871</th>\n",
       "      <th>AtomPair_872</th>\n",
       "      <th>AtomPair_873</th>\n",
       "      <th>AtomPair_874</th>\n",
       "      <th>AtomPair_875</th>\n",
       "      <th>AtomPair_876</th>\n",
       "      <th>AtomPair_877</th>\n",
       "      <th>AtomPair_878</th>\n",
       "      <th>AtomPair_879</th>\n",
       "      <th>AtomPair_880</th>\n",
       "      <th>AtomPair_881</th>\n",
       "      <th>AtomPair_882</th>\n",
       "      <th>AtomPair_883</th>\n",
       "      <th>AtomPair_884</th>\n",
       "      <th>AtomPair_885</th>\n",
       "      <th>AtomPair_886</th>\n",
       "      <th>AtomPair_887</th>\n",
       "      <th>AtomPair_888</th>\n",
       "      <th>AtomPair_889</th>\n",
       "      <th>AtomPair_890</th>\n",
       "      <th>AtomPair_891</th>\n",
       "      <th>AtomPair_892</th>\n",
       "      <th>AtomPair_893</th>\n",
       "      <th>AtomPair_894</th>\n",
       "      <th>AtomPair_895</th>\n",
       "      <th>AtomPair_896</th>\n",
       "      <th>AtomPair_897</th>\n",
       "      <th>AtomPair_898</th>\n",
       "      <th>AtomPair_899</th>\n",
       "      <th>AtomPair_900</th>\n",
       "      <th>AtomPair_901</th>\n",
       "      <th>AtomPair_902</th>\n",
       "      <th>AtomPair_903</th>\n",
       "      <th>AtomPair_904</th>\n",
       "      <th>AtomPair_905</th>\n",
       "      <th>AtomPair_906</th>\n",
       "      <th>AtomPair_907</th>\n",
       "      <th>AtomPair_908</th>\n",
       "      <th>AtomPair_909</th>\n",
       "      <th>AtomPair_910</th>\n",
       "      <th>AtomPair_911</th>\n",
       "      <th>AtomPair_912</th>\n",
       "      <th>AtomPair_913</th>\n",
       "      <th>AtomPair_914</th>\n",
       "      <th>AtomPair_915</th>\n",
       "      <th>AtomPair_916</th>\n",
       "      <th>AtomPair_917</th>\n",
       "      <th>AtomPair_918</th>\n",
       "      <th>AtomPair_919</th>\n",
       "      <th>AtomPair_920</th>\n",
       "      <th>AtomPair_921</th>\n",
       "      <th>AtomPair_922</th>\n",
       "      <th>AtomPair_923</th>\n",
       "      <th>AtomPair_924</th>\n",
       "      <th>AtomPair_925</th>\n",
       "      <th>AtomPair_926</th>\n",
       "      <th>AtomPair_927</th>\n",
       "      <th>AtomPair_928</th>\n",
       "      <th>AtomPair_929</th>\n",
       "      <th>AtomPair_930</th>\n",
       "      <th>AtomPair_931</th>\n",
       "      <th>AtomPair_932</th>\n",
       "      <th>AtomPair_933</th>\n",
       "      <th>AtomPair_934</th>\n",
       "      <th>AtomPair_935</th>\n",
       "      <th>AtomPair_936</th>\n",
       "      <th>AtomPair_937</th>\n",
       "      <th>AtomPair_938</th>\n",
       "      <th>AtomPair_939</th>\n",
       "      <th>AtomPair_940</th>\n",
       "      <th>AtomPair_941</th>\n",
       "      <th>AtomPair_942</th>\n",
       "      <th>AtomPair_943</th>\n",
       "      <th>AtomPair_944</th>\n",
       "      <th>AtomPair_945</th>\n",
       "      <th>AtomPair_946</th>\n",
       "      <th>AtomPair_947</th>\n",
       "      <th>AtomPair_948</th>\n",
       "      <th>AtomPair_949</th>\n",
       "      <th>AtomPair_950</th>\n",
       "      <th>AtomPair_951</th>\n",
       "      <th>AtomPair_952</th>\n",
       "      <th>AtomPair_953</th>\n",
       "      <th>AtomPair_954</th>\n",
       "      <th>AtomPair_955</th>\n",
       "      <th>AtomPair_956</th>\n",
       "      <th>AtomPair_957</th>\n",
       "      <th>AtomPair_958</th>\n",
       "      <th>AtomPair_959</th>\n",
       "      <th>AtomPair_960</th>\n",
       "      <th>AtomPair_961</th>\n",
       "      <th>AtomPair_962</th>\n",
       "      <th>AtomPair_963</th>\n",
       "      <th>AtomPair_964</th>\n",
       "      <th>AtomPair_965</th>\n",
       "      <th>AtomPair_966</th>\n",
       "      <th>AtomPair_967</th>\n",
       "      <th>AtomPair_968</th>\n",
       "      <th>AtomPair_969</th>\n",
       "      <th>AtomPair_970</th>\n",
       "      <th>AtomPair_971</th>\n",
       "      <th>AtomPair_972</th>\n",
       "      <th>AtomPair_973</th>\n",
       "      <th>AtomPair_974</th>\n",
       "      <th>AtomPair_975</th>\n",
       "      <th>AtomPair_976</th>\n",
       "      <th>AtomPair_977</th>\n",
       "      <th>AtomPair_978</th>\n",
       "      <th>AtomPair_979</th>\n",
       "      <th>AtomPair_980</th>\n",
       "      <th>AtomPair_981</th>\n",
       "      <th>AtomPair_982</th>\n",
       "      <th>AtomPair_983</th>\n",
       "      <th>AtomPair_984</th>\n",
       "      <th>AtomPair_985</th>\n",
       "      <th>AtomPair_986</th>\n",
       "      <th>AtomPair_987</th>\n",
       "      <th>AtomPair_988</th>\n",
       "      <th>AtomPair_989</th>\n",
       "      <th>AtomPair_990</th>\n",
       "      <th>AtomPair_991</th>\n",
       "      <th>AtomPair_992</th>\n",
       "      <th>AtomPair_993</th>\n",
       "      <th>AtomPair_994</th>\n",
       "      <th>AtomPair_995</th>\n",
       "      <th>AtomPair_996</th>\n",
       "      <th>AtomPair_997</th>\n",
       "      <th>AtomPair_998</th>\n",
       "      <th>AtomPair_999</th>\n",
       "      <th>AtomPair_1000</th>\n",
       "      <th>AtomPair_1001</th>\n",
       "      <th>AtomPair_1002</th>\n",
       "      <th>AtomPair_1003</th>\n",
       "      <th>AtomPair_1004</th>\n",
       "      <th>AtomPair_1005</th>\n",
       "      <th>AtomPair_1006</th>\n",
       "      <th>AtomPair_1007</th>\n",
       "      <th>AtomPair_1008</th>\n",
       "      <th>AtomPair_1009</th>\n",
       "      <th>AtomPair_1010</th>\n",
       "      <th>AtomPair_1011</th>\n",
       "      <th>AtomPair_1012</th>\n",
       "      <th>AtomPair_1013</th>\n",
       "      <th>AtomPair_1014</th>\n",
       "      <th>AtomPair_1015</th>\n",
       "      <th>AtomPair_1016</th>\n",
       "      <th>AtomPair_1017</th>\n",
       "      <th>AtomPair_1018</th>\n",
       "      <th>AtomPair_1019</th>\n",
       "      <th>AtomPair_1020</th>\n",
       "      <th>AtomPair_1021</th>\n",
       "      <th>AtomPair_1022</th>\n",
       "      <th>AtomPair_1023</th>\n",
       "      <th>AtomPair_1024</th>\n",
       "      <th>AtomPair_1025</th>\n",
       "      <th>AtomPair_1026</th>\n",
       "      <th>AtomPair_1027</th>\n",
       "      <th>AtomPair_1028</th>\n",
       "      <th>AtomPair_1029</th>\n",
       "      <th>AtomPair_1030</th>\n",
       "      <th>AtomPair_1031</th>\n",
       "      <th>AtomPair_1032</th>\n",
       "      <th>AtomPair_1033</th>\n",
       "      <th>AtomPair_1034</th>\n",
       "      <th>AtomPair_1035</th>\n",
       "      <th>AtomPair_1036</th>\n",
       "      <th>AtomPair_1037</th>\n",
       "      <th>AtomPair_1038</th>\n",
       "      <th>AtomPair_1039</th>\n",
       "      <th>AtomPair_1040</th>\n",
       "      <th>AtomPair_1041</th>\n",
       "      <th>AtomPair_1042</th>\n",
       "      <th>AtomPair_1043</th>\n",
       "      <th>AtomPair_1044</th>\n",
       "      <th>AtomPair_1045</th>\n",
       "      <th>AtomPair_1046</th>\n",
       "      <th>AtomPair_1047</th>\n",
       "      <th>AtomPair_1048</th>\n",
       "      <th>AtomPair_1049</th>\n",
       "      <th>AtomPair_1050</th>\n",
       "      <th>AtomPair_1051</th>\n",
       "      <th>AtomPair_1052</th>\n",
       "      <th>AtomPair_1053</th>\n",
       "      <th>AtomPair_1054</th>\n",
       "      <th>AtomPair_1055</th>\n",
       "      <th>AtomPair_1056</th>\n",
       "      <th>AtomPair_1057</th>\n",
       "      <th>AtomPair_1058</th>\n",
       "      <th>AtomPair_1059</th>\n",
       "      <th>AtomPair_1060</th>\n",
       "      <th>AtomPair_1061</th>\n",
       "      <th>AtomPair_1062</th>\n",
       "      <th>AtomPair_1063</th>\n",
       "      <th>AtomPair_1064</th>\n",
       "      <th>AtomPair_1065</th>\n",
       "      <th>AtomPair_1066</th>\n",
       "      <th>AtomPair_1067</th>\n",
       "      <th>AtomPair_1068</th>\n",
       "      <th>AtomPair_1069</th>\n",
       "      <th>AtomPair_1070</th>\n",
       "      <th>AtomPair_1071</th>\n",
       "      <th>AtomPair_1072</th>\n",
       "      <th>AtomPair_1073</th>\n",
       "      <th>AtomPair_1074</th>\n",
       "      <th>AtomPair_1075</th>\n",
       "      <th>AtomPair_1076</th>\n",
       "      <th>AtomPair_1077</th>\n",
       "      <th>AtomPair_1078</th>\n",
       "      <th>AtomPair_1079</th>\n",
       "      <th>AtomPair_1080</th>\n",
       "      <th>AtomPair_1081</th>\n",
       "      <th>AtomPair_1082</th>\n",
       "      <th>AtomPair_1083</th>\n",
       "      <th>AtomPair_1084</th>\n",
       "      <th>AtomPair_1085</th>\n",
       "      <th>AtomPair_1086</th>\n",
       "      <th>AtomPair_1087</th>\n",
       "      <th>AtomPair_1088</th>\n",
       "      <th>AtomPair_1089</th>\n",
       "      <th>AtomPair_1090</th>\n",
       "      <th>AtomPair_1091</th>\n",
       "      <th>AtomPair_1092</th>\n",
       "      <th>AtomPair_1093</th>\n",
       "      <th>AtomPair_1094</th>\n",
       "      <th>AtomPair_1095</th>\n",
       "      <th>AtomPair_1096</th>\n",
       "      <th>AtomPair_1097</th>\n",
       "      <th>AtomPair_1098</th>\n",
       "      <th>AtomPair_1099</th>\n",
       "      <th>AtomPair_1100</th>\n",
       "      <th>AtomPair_1101</th>\n",
       "      <th>AtomPair_1102</th>\n",
       "      <th>AtomPair_1103</th>\n",
       "      <th>AtomPair_1104</th>\n",
       "      <th>AtomPair_1105</th>\n",
       "      <th>AtomPair_1106</th>\n",
       "      <th>AtomPair_1107</th>\n",
       "      <th>AtomPair_1108</th>\n",
       "      <th>AtomPair_1109</th>\n",
       "      <th>AtomPair_1110</th>\n",
       "      <th>AtomPair_1111</th>\n",
       "      <th>AtomPair_1112</th>\n",
       "      <th>AtomPair_1113</th>\n",
       "      <th>AtomPair_1114</th>\n",
       "      <th>AtomPair_1115</th>\n",
       "      <th>AtomPair_1116</th>\n",
       "      <th>AtomPair_1117</th>\n",
       "      <th>AtomPair_1118</th>\n",
       "      <th>AtomPair_1119</th>\n",
       "      <th>AtomPair_1120</th>\n",
       "      <th>AtomPair_1121</th>\n",
       "      <th>AtomPair_1122</th>\n",
       "      <th>AtomPair_1123</th>\n",
       "      <th>AtomPair_1124</th>\n",
       "      <th>AtomPair_1125</th>\n",
       "      <th>AtomPair_1126</th>\n",
       "      <th>AtomPair_1127</th>\n",
       "      <th>AtomPair_1128</th>\n",
       "      <th>AtomPair_1129</th>\n",
       "      <th>AtomPair_1130</th>\n",
       "      <th>AtomPair_1131</th>\n",
       "      <th>AtomPair_1132</th>\n",
       "      <th>AtomPair_1133</th>\n",
       "      <th>AtomPair_1134</th>\n",
       "      <th>AtomPair_1135</th>\n",
       "      <th>AtomPair_1136</th>\n",
       "      <th>AtomPair_1137</th>\n",
       "      <th>AtomPair_1138</th>\n",
       "      <th>AtomPair_1139</th>\n",
       "      <th>AtomPair_1140</th>\n",
       "      <th>AtomPair_1141</th>\n",
       "      <th>AtomPair_1142</th>\n",
       "      <th>AtomPair_1143</th>\n",
       "      <th>AtomPair_1144</th>\n",
       "      <th>AtomPair_1145</th>\n",
       "      <th>AtomPair_1146</th>\n",
       "      <th>AtomPair_1147</th>\n",
       "      <th>AtomPair_1148</th>\n",
       "      <th>AtomPair_1149</th>\n",
       "      <th>AtomPair_1150</th>\n",
       "      <th>AtomPair_1151</th>\n",
       "      <th>AtomPair_1152</th>\n",
       "      <th>AtomPair_1153</th>\n",
       "      <th>AtomPair_1154</th>\n",
       "      <th>AtomPair_1155</th>\n",
       "      <th>AtomPair_1156</th>\n",
       "      <th>AtomPair_1157</th>\n",
       "      <th>AtomPair_1158</th>\n",
       "      <th>AtomPair_1159</th>\n",
       "      <th>AtomPair_1160</th>\n",
       "      <th>AtomPair_1161</th>\n",
       "      <th>AtomPair_1162</th>\n",
       "      <th>AtomPair_1163</th>\n",
       "      <th>AtomPair_1164</th>\n",
       "      <th>AtomPair_1165</th>\n",
       "      <th>AtomPair_1166</th>\n",
       "      <th>AtomPair_1167</th>\n",
       "      <th>AtomPair_1168</th>\n",
       "      <th>AtomPair_1169</th>\n",
       "      <th>AtomPair_1170</th>\n",
       "      <th>AtomPair_1171</th>\n",
       "      <th>AtomPair_1172</th>\n",
       "      <th>AtomPair_1173</th>\n",
       "      <th>AtomPair_1174</th>\n",
       "      <th>AtomPair_1175</th>\n",
       "      <th>AtomPair_1176</th>\n",
       "      <th>AtomPair_1177</th>\n",
       "      <th>AtomPair_1178</th>\n",
       "      <th>AtomPair_1179</th>\n",
       "      <th>AtomPair_1180</th>\n",
       "      <th>AtomPair_1181</th>\n",
       "      <th>AtomPair_1182</th>\n",
       "      <th>AtomPair_1183</th>\n",
       "      <th>AtomPair_1184</th>\n",
       "      <th>AtomPair_1185</th>\n",
       "      <th>AtomPair_1186</th>\n",
       "      <th>AtomPair_1187</th>\n",
       "      <th>AtomPair_1188</th>\n",
       "      <th>AtomPair_1189</th>\n",
       "      <th>AtomPair_1190</th>\n",
       "      <th>AtomPair_1191</th>\n",
       "      <th>AtomPair_1192</th>\n",
       "      <th>AtomPair_1193</th>\n",
       "      <th>AtomPair_1194</th>\n",
       "      <th>AtomPair_1195</th>\n",
       "      <th>AtomPair_1196</th>\n",
       "      <th>AtomPair_1197</th>\n",
       "      <th>AtomPair_1198</th>\n",
       "      <th>AtomPair_1199</th>\n",
       "      <th>AtomPair_1200</th>\n",
       "      <th>AtomPair_1201</th>\n",
       "      <th>AtomPair_1202</th>\n",
       "      <th>AtomPair_1203</th>\n",
       "      <th>AtomPair_1204</th>\n",
       "      <th>AtomPair_1205</th>\n",
       "      <th>AtomPair_1206</th>\n",
       "      <th>AtomPair_1207</th>\n",
       "      <th>AtomPair_1208</th>\n",
       "      <th>AtomPair_1209</th>\n",
       "      <th>AtomPair_1210</th>\n",
       "      <th>AtomPair_1211</th>\n",
       "      <th>AtomPair_1212</th>\n",
       "      <th>AtomPair_1213</th>\n",
       "      <th>AtomPair_1214</th>\n",
       "      <th>AtomPair_1215</th>\n",
       "      <th>AtomPair_1216</th>\n",
       "      <th>AtomPair_1217</th>\n",
       "      <th>AtomPair_1218</th>\n",
       "      <th>AtomPair_1219</th>\n",
       "      <th>AtomPair_1220</th>\n",
       "      <th>AtomPair_1221</th>\n",
       "      <th>AtomPair_1222</th>\n",
       "      <th>AtomPair_1223</th>\n",
       "      <th>AtomPair_1224</th>\n",
       "      <th>AtomPair_1225</th>\n",
       "      <th>AtomPair_1226</th>\n",
       "      <th>AtomPair_1227</th>\n",
       "      <th>AtomPair_1228</th>\n",
       "      <th>AtomPair_1229</th>\n",
       "      <th>AtomPair_1230</th>\n",
       "      <th>AtomPair_1231</th>\n",
       "      <th>AtomPair_1232</th>\n",
       "      <th>AtomPair_1233</th>\n",
       "      <th>AtomPair_1234</th>\n",
       "      <th>AtomPair_1235</th>\n",
       "      <th>AtomPair_1236</th>\n",
       "      <th>AtomPair_1237</th>\n",
       "      <th>AtomPair_1238</th>\n",
       "      <th>AtomPair_1239</th>\n",
       "      <th>AtomPair_1240</th>\n",
       "      <th>AtomPair_1241</th>\n",
       "      <th>AtomPair_1242</th>\n",
       "      <th>AtomPair_1243</th>\n",
       "      <th>AtomPair_1244</th>\n",
       "      <th>AtomPair_1245</th>\n",
       "      <th>AtomPair_1246</th>\n",
       "      <th>AtomPair_1247</th>\n",
       "      <th>AtomPair_1248</th>\n",
       "      <th>AtomPair_1249</th>\n",
       "      <th>AtomPair_1250</th>\n",
       "      <th>AtomPair_1251</th>\n",
       "      <th>AtomPair_1252</th>\n",
       "      <th>AtomPair_1253</th>\n",
       "      <th>AtomPair_1254</th>\n",
       "      <th>AtomPair_1255</th>\n",
       "      <th>AtomPair_1256</th>\n",
       "      <th>AtomPair_1257</th>\n",
       "      <th>AtomPair_1258</th>\n",
       "      <th>AtomPair_1259</th>\n",
       "      <th>AtomPair_1260</th>\n",
       "      <th>AtomPair_1261</th>\n",
       "      <th>AtomPair_1262</th>\n",
       "      <th>AtomPair_1263</th>\n",
       "      <th>AtomPair_1264</th>\n",
       "      <th>AtomPair_1265</th>\n",
       "      <th>AtomPair_1266</th>\n",
       "      <th>AtomPair_1267</th>\n",
       "      <th>AtomPair_1268</th>\n",
       "      <th>AtomPair_1269</th>\n",
       "      <th>AtomPair_1270</th>\n",
       "      <th>AtomPair_1271</th>\n",
       "      <th>AtomPair_1272</th>\n",
       "      <th>AtomPair_1273</th>\n",
       "      <th>AtomPair_1274</th>\n",
       "      <th>AtomPair_1275</th>\n",
       "      <th>AtomPair_1276</th>\n",
       "      <th>AtomPair_1277</th>\n",
       "      <th>AtomPair_1278</th>\n",
       "      <th>AtomPair_1279</th>\n",
       "      <th>AtomPair_1280</th>\n",
       "      <th>AtomPair_1281</th>\n",
       "      <th>AtomPair_1282</th>\n",
       "      <th>AtomPair_1283</th>\n",
       "      <th>AtomPair_1284</th>\n",
       "      <th>AtomPair_1285</th>\n",
       "      <th>AtomPair_1286</th>\n",
       "      <th>AtomPair_1287</th>\n",
       "      <th>AtomPair_1288</th>\n",
       "      <th>AtomPair_1289</th>\n",
       "      <th>AtomPair_1290</th>\n",
       "      <th>AtomPair_1291</th>\n",
       "      <th>AtomPair_1292</th>\n",
       "      <th>AtomPair_1293</th>\n",
       "      <th>AtomPair_1294</th>\n",
       "      <th>AtomPair_1295</th>\n",
       "      <th>AtomPair_1296</th>\n",
       "      <th>AtomPair_1297</th>\n",
       "      <th>AtomPair_1298</th>\n",
       "      <th>AtomPair_1299</th>\n",
       "      <th>AtomPair_1300</th>\n",
       "      <th>AtomPair_1301</th>\n",
       "      <th>AtomPair_1302</th>\n",
       "      <th>AtomPair_1303</th>\n",
       "      <th>AtomPair_1304</th>\n",
       "      <th>AtomPair_1305</th>\n",
       "      <th>AtomPair_1306</th>\n",
       "      <th>AtomPair_1307</th>\n",
       "      <th>AtomPair_1308</th>\n",
       "      <th>AtomPair_1309</th>\n",
       "      <th>AtomPair_1310</th>\n",
       "      <th>AtomPair_1311</th>\n",
       "      <th>AtomPair_1312</th>\n",
       "      <th>AtomPair_1313</th>\n",
       "      <th>AtomPair_1314</th>\n",
       "      <th>AtomPair_1315</th>\n",
       "      <th>AtomPair_1316</th>\n",
       "      <th>AtomPair_1317</th>\n",
       "      <th>AtomPair_1318</th>\n",
       "      <th>AtomPair_1319</th>\n",
       "      <th>AtomPair_1320</th>\n",
       "      <th>AtomPair_1321</th>\n",
       "      <th>AtomPair_1322</th>\n",
       "      <th>AtomPair_1323</th>\n",
       "      <th>AtomPair_1324</th>\n",
       "      <th>AtomPair_1325</th>\n",
       "      <th>AtomPair_1326</th>\n",
       "      <th>AtomPair_1327</th>\n",
       "      <th>AtomPair_1328</th>\n",
       "      <th>AtomPair_1329</th>\n",
       "      <th>AtomPair_1330</th>\n",
       "      <th>AtomPair_1331</th>\n",
       "      <th>AtomPair_1332</th>\n",
       "      <th>AtomPair_1333</th>\n",
       "      <th>AtomPair_1334</th>\n",
       "      <th>AtomPair_1335</th>\n",
       "      <th>AtomPair_1336</th>\n",
       "      <th>AtomPair_1337</th>\n",
       "      <th>AtomPair_1338</th>\n",
       "      <th>AtomPair_1339</th>\n",
       "      <th>AtomPair_1340</th>\n",
       "      <th>AtomPair_1341</th>\n",
       "      <th>AtomPair_1342</th>\n",
       "      <th>AtomPair_1343</th>\n",
       "      <th>AtomPair_1344</th>\n",
       "      <th>AtomPair_1345</th>\n",
       "      <th>AtomPair_1346</th>\n",
       "      <th>AtomPair_1347</th>\n",
       "      <th>AtomPair_1348</th>\n",
       "      <th>AtomPair_1349</th>\n",
       "      <th>AtomPair_1350</th>\n",
       "      <th>AtomPair_1351</th>\n",
       "      <th>AtomPair_1352</th>\n",
       "      <th>AtomPair_1353</th>\n",
       "      <th>AtomPair_1354</th>\n",
       "      <th>AtomPair_1355</th>\n",
       "      <th>AtomPair_1356</th>\n",
       "      <th>AtomPair_1357</th>\n",
       "      <th>AtomPair_1358</th>\n",
       "      <th>AtomPair_1359</th>\n",
       "      <th>AtomPair_1360</th>\n",
       "      <th>AtomPair_1361</th>\n",
       "      <th>AtomPair_1362</th>\n",
       "      <th>AtomPair_1363</th>\n",
       "      <th>AtomPair_1364</th>\n",
       "      <th>AtomPair_1365</th>\n",
       "      <th>AtomPair_1366</th>\n",
       "      <th>AtomPair_1367</th>\n",
       "      <th>AtomPair_1368</th>\n",
       "      <th>AtomPair_1369</th>\n",
       "      <th>AtomPair_1370</th>\n",
       "      <th>AtomPair_1371</th>\n",
       "      <th>AtomPair_1372</th>\n",
       "      <th>AtomPair_1373</th>\n",
       "      <th>AtomPair_1374</th>\n",
       "      <th>AtomPair_1375</th>\n",
       "      <th>AtomPair_1376</th>\n",
       "      <th>AtomPair_1377</th>\n",
       "      <th>AtomPair_1378</th>\n",
       "      <th>AtomPair_1379</th>\n",
       "      <th>AtomPair_1380</th>\n",
       "      <th>AtomPair_1381</th>\n",
       "      <th>AtomPair_1382</th>\n",
       "      <th>AtomPair_1383</th>\n",
       "      <th>AtomPair_1384</th>\n",
       "      <th>AtomPair_1385</th>\n",
       "      <th>AtomPair_1386</th>\n",
       "      <th>AtomPair_1387</th>\n",
       "      <th>AtomPair_1388</th>\n",
       "      <th>AtomPair_1389</th>\n",
       "      <th>AtomPair_1390</th>\n",
       "      <th>AtomPair_1391</th>\n",
       "      <th>AtomPair_1392</th>\n",
       "      <th>AtomPair_1393</th>\n",
       "      <th>AtomPair_1394</th>\n",
       "      <th>AtomPair_1395</th>\n",
       "      <th>AtomPair_1396</th>\n",
       "      <th>AtomPair_1397</th>\n",
       "      <th>AtomPair_1398</th>\n",
       "      <th>AtomPair_1399</th>\n",
       "      <th>AtomPair_1400</th>\n",
       "      <th>AtomPair_1401</th>\n",
       "      <th>AtomPair_1402</th>\n",
       "      <th>AtomPair_1403</th>\n",
       "      <th>AtomPair_1404</th>\n",
       "      <th>AtomPair_1405</th>\n",
       "      <th>AtomPair_1406</th>\n",
       "      <th>AtomPair_1407</th>\n",
       "      <th>AtomPair_1408</th>\n",
       "      <th>AtomPair_1409</th>\n",
       "      <th>AtomPair_1410</th>\n",
       "      <th>AtomPair_1411</th>\n",
       "      <th>AtomPair_1412</th>\n",
       "      <th>AtomPair_1413</th>\n",
       "      <th>AtomPair_1414</th>\n",
       "      <th>AtomPair_1415</th>\n",
       "      <th>AtomPair_1416</th>\n",
       "      <th>AtomPair_1417</th>\n",
       "      <th>AtomPair_1418</th>\n",
       "      <th>AtomPair_1419</th>\n",
       "      <th>AtomPair_1420</th>\n",
       "      <th>AtomPair_1421</th>\n",
       "      <th>AtomPair_1422</th>\n",
       "      <th>AtomPair_1423</th>\n",
       "      <th>AtomPair_1424</th>\n",
       "      <th>AtomPair_1425</th>\n",
       "      <th>AtomPair_1426</th>\n",
       "      <th>AtomPair_1427</th>\n",
       "      <th>AtomPair_1428</th>\n",
       "      <th>AtomPair_1429</th>\n",
       "      <th>AtomPair_1430</th>\n",
       "      <th>AtomPair_1431</th>\n",
       "      <th>AtomPair_1432</th>\n",
       "      <th>AtomPair_1433</th>\n",
       "      <th>AtomPair_1434</th>\n",
       "      <th>AtomPair_1435</th>\n",
       "      <th>AtomPair_1436</th>\n",
       "      <th>AtomPair_1437</th>\n",
       "      <th>AtomPair_1438</th>\n",
       "      <th>AtomPair_1439</th>\n",
       "      <th>AtomPair_1440</th>\n",
       "      <th>AtomPair_1441</th>\n",
       "      <th>AtomPair_1442</th>\n",
       "      <th>AtomPair_1443</th>\n",
       "      <th>AtomPair_1444</th>\n",
       "      <th>AtomPair_1445</th>\n",
       "      <th>AtomPair_1446</th>\n",
       "      <th>AtomPair_1447</th>\n",
       "      <th>AtomPair_1448</th>\n",
       "      <th>AtomPair_1449</th>\n",
       "      <th>AtomPair_1450</th>\n",
       "      <th>AtomPair_1451</th>\n",
       "      <th>AtomPair_1452</th>\n",
       "      <th>AtomPair_1453</th>\n",
       "      <th>AtomPair_1454</th>\n",
       "      <th>AtomPair_1455</th>\n",
       "      <th>AtomPair_1456</th>\n",
       "      <th>AtomPair_1457</th>\n",
       "      <th>AtomPair_1458</th>\n",
       "      <th>AtomPair_1459</th>\n",
       "      <th>AtomPair_1460</th>\n",
       "      <th>AtomPair_1461</th>\n",
       "      <th>AtomPair_1462</th>\n",
       "      <th>AtomPair_1463</th>\n",
       "      <th>AtomPair_1464</th>\n",
       "      <th>AtomPair_1465</th>\n",
       "      <th>AtomPair_1466</th>\n",
       "      <th>AtomPair_1467</th>\n",
       "      <th>AtomPair_1468</th>\n",
       "      <th>AtomPair_1469</th>\n",
       "      <th>AtomPair_1470</th>\n",
       "      <th>AtomPair_1471</th>\n",
       "      <th>AtomPair_1472</th>\n",
       "      <th>AtomPair_1473</th>\n",
       "      <th>AtomPair_1474</th>\n",
       "      <th>AtomPair_1475</th>\n",
       "      <th>AtomPair_1476</th>\n",
       "      <th>AtomPair_1477</th>\n",
       "      <th>AtomPair_1478</th>\n",
       "      <th>AtomPair_1479</th>\n",
       "      <th>AtomPair_1480</th>\n",
       "      <th>AtomPair_1481</th>\n",
       "      <th>AtomPair_1482</th>\n",
       "      <th>AtomPair_1483</th>\n",
       "      <th>AtomPair_1484</th>\n",
       "      <th>AtomPair_1485</th>\n",
       "      <th>AtomPair_1486</th>\n",
       "      <th>AtomPair_1487</th>\n",
       "      <th>AtomPair_1488</th>\n",
       "      <th>AtomPair_1489</th>\n",
       "      <th>AtomPair_1490</th>\n",
       "      <th>AtomPair_1491</th>\n",
       "      <th>AtomPair_1492</th>\n",
       "      <th>AtomPair_1493</th>\n",
       "      <th>AtomPair_1494</th>\n",
       "      <th>AtomPair_1495</th>\n",
       "      <th>AtomPair_1496</th>\n",
       "      <th>AtomPair_1497</th>\n",
       "      <th>AtomPair_1498</th>\n",
       "      <th>AtomPair_1499</th>\n",
       "      <th>AtomPair_1500</th>\n",
       "      <th>AtomPair_1501</th>\n",
       "      <th>AtomPair_1502</th>\n",
       "      <th>AtomPair_1503</th>\n",
       "      <th>AtomPair_1504</th>\n",
       "      <th>AtomPair_1505</th>\n",
       "      <th>AtomPair_1506</th>\n",
       "      <th>AtomPair_1507</th>\n",
       "      <th>AtomPair_1508</th>\n",
       "      <th>AtomPair_1509</th>\n",
       "      <th>AtomPair_1510</th>\n",
       "      <th>AtomPair_1511</th>\n",
       "      <th>AtomPair_1512</th>\n",
       "      <th>AtomPair_1513</th>\n",
       "      <th>AtomPair_1514</th>\n",
       "      <th>AtomPair_1515</th>\n",
       "      <th>AtomPair_1516</th>\n",
       "      <th>AtomPair_1517</th>\n",
       "      <th>AtomPair_1518</th>\n",
       "      <th>AtomPair_1519</th>\n",
       "      <th>AtomPair_1520</th>\n",
       "      <th>AtomPair_1521</th>\n",
       "      <th>AtomPair_1522</th>\n",
       "      <th>AtomPair_1523</th>\n",
       "      <th>AtomPair_1524</th>\n",
       "      <th>AtomPair_1525</th>\n",
       "      <th>AtomPair_1526</th>\n",
       "      <th>AtomPair_1527</th>\n",
       "      <th>AtomPair_1528</th>\n",
       "      <th>AtomPair_1529</th>\n",
       "      <th>AtomPair_1530</th>\n",
       "      <th>AtomPair_1531</th>\n",
       "      <th>AtomPair_1532</th>\n",
       "      <th>AtomPair_1533</th>\n",
       "      <th>AtomPair_1534</th>\n",
       "      <th>AtomPair_1535</th>\n",
       "      <th>AtomPair_1536</th>\n",
       "      <th>AtomPair_1537</th>\n",
       "      <th>AtomPair_1538</th>\n",
       "      <th>AtomPair_1539</th>\n",
       "      <th>AtomPair_1540</th>\n",
       "      <th>AtomPair_1541</th>\n",
       "      <th>AtomPair_1542</th>\n",
       "      <th>AtomPair_1543</th>\n",
       "      <th>AtomPair_1544</th>\n",
       "      <th>AtomPair_1545</th>\n",
       "      <th>AtomPair_1546</th>\n",
       "      <th>AtomPair_1547</th>\n",
       "      <th>AtomPair_1548</th>\n",
       "      <th>AtomPair_1549</th>\n",
       "      <th>AtomPair_1550</th>\n",
       "      <th>AtomPair_1551</th>\n",
       "      <th>AtomPair_1552</th>\n",
       "      <th>AtomPair_1553</th>\n",
       "      <th>AtomPair_1554</th>\n",
       "      <th>AtomPair_1555</th>\n",
       "      <th>AtomPair_1556</th>\n",
       "      <th>AtomPair_1557</th>\n",
       "      <th>AtomPair_1558</th>\n",
       "      <th>AtomPair_1559</th>\n",
       "      <th>AtomPair_1560</th>\n",
       "      <th>AtomPair_1561</th>\n",
       "      <th>AtomPair_1562</th>\n",
       "      <th>AtomPair_1563</th>\n",
       "      <th>AtomPair_1564</th>\n",
       "      <th>AtomPair_1565</th>\n",
       "      <th>AtomPair_1566</th>\n",
       "      <th>AtomPair_1567</th>\n",
       "      <th>AtomPair_1568</th>\n",
       "      <th>AtomPair_1569</th>\n",
       "      <th>AtomPair_1570</th>\n",
       "      <th>AtomPair_1571</th>\n",
       "      <th>AtomPair_1572</th>\n",
       "      <th>AtomPair_1573</th>\n",
       "      <th>AtomPair_1574</th>\n",
       "      <th>AtomPair_1575</th>\n",
       "      <th>AtomPair_1576</th>\n",
       "      <th>AtomPair_1577</th>\n",
       "      <th>AtomPair_1578</th>\n",
       "      <th>AtomPair_1579</th>\n",
       "      <th>AtomPair_1580</th>\n",
       "      <th>AtomPair_1581</th>\n",
       "      <th>AtomPair_1582</th>\n",
       "      <th>AtomPair_1583</th>\n",
       "      <th>AtomPair_1584</th>\n",
       "      <th>AtomPair_1585</th>\n",
       "      <th>AtomPair_1586</th>\n",
       "      <th>AtomPair_1587</th>\n",
       "      <th>AtomPair_1588</th>\n",
       "      <th>AtomPair_1589</th>\n",
       "      <th>AtomPair_1590</th>\n",
       "      <th>AtomPair_1591</th>\n",
       "      <th>AtomPair_1592</th>\n",
       "      <th>AtomPair_1593</th>\n",
       "      <th>AtomPair_1594</th>\n",
       "      <th>AtomPair_1595</th>\n",
       "      <th>AtomPair_1596</th>\n",
       "      <th>AtomPair_1597</th>\n",
       "      <th>AtomPair_1598</th>\n",
       "      <th>AtomPair_1599</th>\n",
       "      <th>AtomPair_1600</th>\n",
       "      <th>AtomPair_1601</th>\n",
       "      <th>AtomPair_1602</th>\n",
       "      <th>AtomPair_1603</th>\n",
       "      <th>AtomPair_1604</th>\n",
       "      <th>AtomPair_1605</th>\n",
       "      <th>AtomPair_1606</th>\n",
       "      <th>AtomPair_1607</th>\n",
       "      <th>AtomPair_1608</th>\n",
       "      <th>AtomPair_1609</th>\n",
       "      <th>AtomPair_1610</th>\n",
       "      <th>AtomPair_1611</th>\n",
       "      <th>AtomPair_1612</th>\n",
       "      <th>AtomPair_1613</th>\n",
       "      <th>AtomPair_1614</th>\n",
       "      <th>AtomPair_1615</th>\n",
       "      <th>AtomPair_1616</th>\n",
       "      <th>AtomPair_1617</th>\n",
       "      <th>AtomPair_1618</th>\n",
       "      <th>AtomPair_1619</th>\n",
       "      <th>AtomPair_1620</th>\n",
       "      <th>AtomPair_1621</th>\n",
       "      <th>AtomPair_1622</th>\n",
       "      <th>AtomPair_1623</th>\n",
       "      <th>AtomPair_1624</th>\n",
       "      <th>AtomPair_1625</th>\n",
       "      <th>AtomPair_1626</th>\n",
       "      <th>AtomPair_1627</th>\n",
       "      <th>AtomPair_1628</th>\n",
       "      <th>AtomPair_1629</th>\n",
       "      <th>AtomPair_1630</th>\n",
       "      <th>AtomPair_1631</th>\n",
       "      <th>AtomPair_1632</th>\n",
       "      <th>AtomPair_1633</th>\n",
       "      <th>AtomPair_1634</th>\n",
       "      <th>AtomPair_1635</th>\n",
       "      <th>AtomPair_1636</th>\n",
       "      <th>AtomPair_1637</th>\n",
       "      <th>AtomPair_1638</th>\n",
       "      <th>AtomPair_1639</th>\n",
       "      <th>AtomPair_1640</th>\n",
       "      <th>AtomPair_1641</th>\n",
       "      <th>AtomPair_1642</th>\n",
       "      <th>AtomPair_1643</th>\n",
       "      <th>AtomPair_1644</th>\n",
       "      <th>AtomPair_1645</th>\n",
       "      <th>AtomPair_1646</th>\n",
       "      <th>AtomPair_1647</th>\n",
       "      <th>AtomPair_1648</th>\n",
       "      <th>AtomPair_1649</th>\n",
       "      <th>AtomPair_1650</th>\n",
       "      <th>AtomPair_1651</th>\n",
       "      <th>AtomPair_1652</th>\n",
       "      <th>AtomPair_1653</th>\n",
       "      <th>AtomPair_1654</th>\n",
       "      <th>AtomPair_1655</th>\n",
       "      <th>AtomPair_1656</th>\n",
       "      <th>AtomPair_1657</th>\n",
       "      <th>AtomPair_1658</th>\n",
       "      <th>AtomPair_1659</th>\n",
       "      <th>AtomPair_1660</th>\n",
       "      <th>AtomPair_1661</th>\n",
       "      <th>AtomPair_1662</th>\n",
       "      <th>AtomPair_1663</th>\n",
       "      <th>AtomPair_1664</th>\n",
       "      <th>AtomPair_1665</th>\n",
       "      <th>AtomPair_1666</th>\n",
       "      <th>AtomPair_1667</th>\n",
       "      <th>AtomPair_1668</th>\n",
       "      <th>AtomPair_1669</th>\n",
       "      <th>AtomPair_1670</th>\n",
       "      <th>AtomPair_1671</th>\n",
       "      <th>AtomPair_1672</th>\n",
       "      <th>AtomPair_1673</th>\n",
       "      <th>AtomPair_1674</th>\n",
       "      <th>AtomPair_1675</th>\n",
       "      <th>AtomPair_1676</th>\n",
       "      <th>AtomPair_1677</th>\n",
       "      <th>AtomPair_1678</th>\n",
       "      <th>AtomPair_1679</th>\n",
       "      <th>AtomPair_1680</th>\n",
       "      <th>AtomPair_1681</th>\n",
       "      <th>AtomPair_1682</th>\n",
       "      <th>AtomPair_1683</th>\n",
       "      <th>AtomPair_1684</th>\n",
       "      <th>AtomPair_1685</th>\n",
       "      <th>AtomPair_1686</th>\n",
       "      <th>AtomPair_1687</th>\n",
       "      <th>AtomPair_1688</th>\n",
       "      <th>AtomPair_1689</th>\n",
       "      <th>AtomPair_1690</th>\n",
       "      <th>AtomPair_1691</th>\n",
       "      <th>AtomPair_1692</th>\n",
       "      <th>AtomPair_1693</th>\n",
       "      <th>AtomPair_1694</th>\n",
       "      <th>AtomPair_1695</th>\n",
       "      <th>AtomPair_1696</th>\n",
       "      <th>AtomPair_1697</th>\n",
       "      <th>AtomPair_1698</th>\n",
       "      <th>AtomPair_1699</th>\n",
       "      <th>AtomPair_1700</th>\n",
       "      <th>AtomPair_1701</th>\n",
       "      <th>AtomPair_1702</th>\n",
       "      <th>AtomPair_1703</th>\n",
       "      <th>AtomPair_1704</th>\n",
       "      <th>AtomPair_1705</th>\n",
       "      <th>AtomPair_1706</th>\n",
       "      <th>AtomPair_1707</th>\n",
       "      <th>AtomPair_1708</th>\n",
       "      <th>AtomPair_1709</th>\n",
       "      <th>AtomPair_1710</th>\n",
       "      <th>AtomPair_1711</th>\n",
       "      <th>AtomPair_1712</th>\n",
       "      <th>AtomPair_1713</th>\n",
       "      <th>AtomPair_1714</th>\n",
       "      <th>AtomPair_1715</th>\n",
       "      <th>AtomPair_1716</th>\n",
       "      <th>AtomPair_1717</th>\n",
       "      <th>AtomPair_1718</th>\n",
       "      <th>AtomPair_1719</th>\n",
       "      <th>AtomPair_1720</th>\n",
       "      <th>AtomPair_1721</th>\n",
       "      <th>AtomPair_1722</th>\n",
       "      <th>AtomPair_1723</th>\n",
       "      <th>AtomPair_1724</th>\n",
       "      <th>AtomPair_1725</th>\n",
       "      <th>AtomPair_1726</th>\n",
       "      <th>AtomPair_1727</th>\n",
       "      <th>AtomPair_1728</th>\n",
       "      <th>AtomPair_1729</th>\n",
       "      <th>AtomPair_1730</th>\n",
       "      <th>AtomPair_1731</th>\n",
       "      <th>AtomPair_1732</th>\n",
       "      <th>AtomPair_1733</th>\n",
       "      <th>AtomPair_1734</th>\n",
       "      <th>AtomPair_1735</th>\n",
       "      <th>AtomPair_1736</th>\n",
       "      <th>AtomPair_1737</th>\n",
       "      <th>AtomPair_1738</th>\n",
       "      <th>AtomPair_1739</th>\n",
       "      <th>AtomPair_1740</th>\n",
       "      <th>AtomPair_1741</th>\n",
       "      <th>AtomPair_1742</th>\n",
       "      <th>AtomPair_1743</th>\n",
       "      <th>AtomPair_1744</th>\n",
       "      <th>AtomPair_1745</th>\n",
       "      <th>AtomPair_1746</th>\n",
       "      <th>AtomPair_1747</th>\n",
       "      <th>AtomPair_1748</th>\n",
       "      <th>AtomPair_1749</th>\n",
       "      <th>AtomPair_1750</th>\n",
       "      <th>AtomPair_1751</th>\n",
       "      <th>AtomPair_1752</th>\n",
       "      <th>AtomPair_1753</th>\n",
       "      <th>AtomPair_1754</th>\n",
       "      <th>AtomPair_1755</th>\n",
       "      <th>AtomPair_1756</th>\n",
       "      <th>AtomPair_1757</th>\n",
       "      <th>AtomPair_1758</th>\n",
       "      <th>AtomPair_1759</th>\n",
       "      <th>AtomPair_1760</th>\n",
       "      <th>AtomPair_1761</th>\n",
       "      <th>AtomPair_1762</th>\n",
       "      <th>AtomPair_1763</th>\n",
       "      <th>AtomPair_1764</th>\n",
       "      <th>AtomPair_1765</th>\n",
       "      <th>AtomPair_1766</th>\n",
       "      <th>AtomPair_1767</th>\n",
       "      <th>AtomPair_1768</th>\n",
       "      <th>AtomPair_1769</th>\n",
       "      <th>AtomPair_1770</th>\n",
       "      <th>AtomPair_1771</th>\n",
       "      <th>AtomPair_1772</th>\n",
       "      <th>AtomPair_1773</th>\n",
       "      <th>AtomPair_1774</th>\n",
       "      <th>AtomPair_1775</th>\n",
       "      <th>AtomPair_1776</th>\n",
       "      <th>AtomPair_1777</th>\n",
       "      <th>AtomPair_1778</th>\n",
       "      <th>AtomPair_1779</th>\n",
       "      <th>AtomPair_1780</th>\n",
       "      <th>AtomPair_1781</th>\n",
       "      <th>AtomPair_1782</th>\n",
       "      <th>AtomPair_1783</th>\n",
       "      <th>AtomPair_1784</th>\n",
       "      <th>AtomPair_1785</th>\n",
       "      <th>AtomPair_1786</th>\n",
       "      <th>AtomPair_1787</th>\n",
       "      <th>AtomPair_1788</th>\n",
       "      <th>AtomPair_1789</th>\n",
       "      <th>AtomPair_1790</th>\n",
       "      <th>AtomPair_1791</th>\n",
       "      <th>AtomPair_1792</th>\n",
       "      <th>AtomPair_1793</th>\n",
       "      <th>AtomPair_1794</th>\n",
       "      <th>AtomPair_1795</th>\n",
       "      <th>AtomPair_1796</th>\n",
       "      <th>AtomPair_1797</th>\n",
       "      <th>AtomPair_1798</th>\n",
       "      <th>AtomPair_1799</th>\n",
       "      <th>AtomPair_1800</th>\n",
       "      <th>AtomPair_1801</th>\n",
       "      <th>AtomPair_1802</th>\n",
       "      <th>AtomPair_1803</th>\n",
       "      <th>AtomPair_1804</th>\n",
       "      <th>AtomPair_1805</th>\n",
       "      <th>AtomPair_1806</th>\n",
       "      <th>AtomPair_1807</th>\n",
       "      <th>AtomPair_1808</th>\n",
       "      <th>AtomPair_1809</th>\n",
       "      <th>AtomPair_1810</th>\n",
       "      <th>AtomPair_1811</th>\n",
       "      <th>AtomPair_1812</th>\n",
       "      <th>AtomPair_1813</th>\n",
       "      <th>AtomPair_1814</th>\n",
       "      <th>AtomPair_1815</th>\n",
       "      <th>AtomPair_1816</th>\n",
       "      <th>AtomPair_1817</th>\n",
       "      <th>AtomPair_1818</th>\n",
       "      <th>AtomPair_1819</th>\n",
       "      <th>AtomPair_1820</th>\n",
       "      <th>AtomPair_1821</th>\n",
       "      <th>AtomPair_1822</th>\n",
       "      <th>AtomPair_1823</th>\n",
       "      <th>AtomPair_1824</th>\n",
       "      <th>AtomPair_1825</th>\n",
       "      <th>AtomPair_1826</th>\n",
       "      <th>AtomPair_1827</th>\n",
       "      <th>AtomPair_1828</th>\n",
       "      <th>AtomPair_1829</th>\n",
       "      <th>AtomPair_1830</th>\n",
       "      <th>AtomPair_1831</th>\n",
       "      <th>AtomPair_1832</th>\n",
       "      <th>AtomPair_1833</th>\n",
       "      <th>AtomPair_1834</th>\n",
       "      <th>AtomPair_1835</th>\n",
       "      <th>AtomPair_1836</th>\n",
       "      <th>AtomPair_1837</th>\n",
       "      <th>AtomPair_1838</th>\n",
       "      <th>AtomPair_1839</th>\n",
       "      <th>AtomPair_1840</th>\n",
       "      <th>AtomPair_1841</th>\n",
       "      <th>AtomPair_1842</th>\n",
       "      <th>AtomPair_1843</th>\n",
       "      <th>AtomPair_1844</th>\n",
       "      <th>AtomPair_1845</th>\n",
       "      <th>AtomPair_1846</th>\n",
       "      <th>AtomPair_1847</th>\n",
       "      <th>AtomPair_1848</th>\n",
       "      <th>AtomPair_1849</th>\n",
       "      <th>AtomPair_1850</th>\n",
       "      <th>AtomPair_1851</th>\n",
       "      <th>AtomPair_1852</th>\n",
       "      <th>AtomPair_1853</th>\n",
       "      <th>AtomPair_1854</th>\n",
       "      <th>AtomPair_1855</th>\n",
       "      <th>AtomPair_1856</th>\n",
       "      <th>AtomPair_1857</th>\n",
       "      <th>AtomPair_1858</th>\n",
       "      <th>AtomPair_1859</th>\n",
       "      <th>AtomPair_1860</th>\n",
       "      <th>AtomPair_1861</th>\n",
       "      <th>AtomPair_1862</th>\n",
       "      <th>AtomPair_1863</th>\n",
       "      <th>AtomPair_1864</th>\n",
       "      <th>AtomPair_1865</th>\n",
       "      <th>AtomPair_1866</th>\n",
       "      <th>AtomPair_1867</th>\n",
       "      <th>AtomPair_1868</th>\n",
       "      <th>AtomPair_1869</th>\n",
       "      <th>AtomPair_1870</th>\n",
       "      <th>AtomPair_1871</th>\n",
       "      <th>AtomPair_1872</th>\n",
       "      <th>AtomPair_1873</th>\n",
       "      <th>AtomPair_1874</th>\n",
       "      <th>AtomPair_1875</th>\n",
       "      <th>AtomPair_1876</th>\n",
       "      <th>AtomPair_1877</th>\n",
       "      <th>AtomPair_1878</th>\n",
       "      <th>AtomPair_1879</th>\n",
       "      <th>AtomPair_1880</th>\n",
       "      <th>AtomPair_1881</th>\n",
       "      <th>AtomPair_1882</th>\n",
       "      <th>AtomPair_1883</th>\n",
       "      <th>AtomPair_1884</th>\n",
       "      <th>AtomPair_1885</th>\n",
       "      <th>AtomPair_1886</th>\n",
       "      <th>AtomPair_1887</th>\n",
       "      <th>AtomPair_1888</th>\n",
       "      <th>AtomPair_1889</th>\n",
       "      <th>AtomPair_1890</th>\n",
       "      <th>AtomPair_1891</th>\n",
       "      <th>AtomPair_1892</th>\n",
       "      <th>AtomPair_1893</th>\n",
       "      <th>AtomPair_1894</th>\n",
       "      <th>AtomPair_1895</th>\n",
       "      <th>AtomPair_1896</th>\n",
       "      <th>AtomPair_1897</th>\n",
       "      <th>AtomPair_1898</th>\n",
       "      <th>AtomPair_1899</th>\n",
       "      <th>AtomPair_1900</th>\n",
       "      <th>AtomPair_1901</th>\n",
       "      <th>AtomPair_1902</th>\n",
       "      <th>AtomPair_1903</th>\n",
       "      <th>AtomPair_1904</th>\n",
       "      <th>AtomPair_1905</th>\n",
       "      <th>AtomPair_1906</th>\n",
       "      <th>AtomPair_1907</th>\n",
       "      <th>AtomPair_1908</th>\n",
       "      <th>AtomPair_1909</th>\n",
       "      <th>AtomPair_1910</th>\n",
       "      <th>AtomPair_1911</th>\n",
       "      <th>AtomPair_1912</th>\n",
       "      <th>AtomPair_1913</th>\n",
       "      <th>AtomPair_1914</th>\n",
       "      <th>AtomPair_1915</th>\n",
       "      <th>AtomPair_1916</th>\n",
       "      <th>AtomPair_1917</th>\n",
       "      <th>AtomPair_1918</th>\n",
       "      <th>AtomPair_1919</th>\n",
       "      <th>AtomPair_1920</th>\n",
       "      <th>AtomPair_1921</th>\n",
       "      <th>AtomPair_1922</th>\n",
       "      <th>AtomPair_1923</th>\n",
       "      <th>AtomPair_1924</th>\n",
       "      <th>AtomPair_1925</th>\n",
       "      <th>AtomPair_1926</th>\n",
       "      <th>AtomPair_1927</th>\n",
       "      <th>AtomPair_1928</th>\n",
       "      <th>AtomPair_1929</th>\n",
       "      <th>AtomPair_1930</th>\n",
       "      <th>AtomPair_1931</th>\n",
       "      <th>AtomPair_1932</th>\n",
       "      <th>AtomPair_1933</th>\n",
       "      <th>AtomPair_1934</th>\n",
       "      <th>AtomPair_1935</th>\n",
       "      <th>AtomPair_1936</th>\n",
       "      <th>AtomPair_1937</th>\n",
       "      <th>AtomPair_1938</th>\n",
       "      <th>AtomPair_1939</th>\n",
       "      <th>AtomPair_1940</th>\n",
       "      <th>AtomPair_1941</th>\n",
       "      <th>AtomPair_1942</th>\n",
       "      <th>AtomPair_1943</th>\n",
       "      <th>AtomPair_1944</th>\n",
       "      <th>AtomPair_1945</th>\n",
       "      <th>AtomPair_1946</th>\n",
       "      <th>AtomPair_1947</th>\n",
       "      <th>AtomPair_1948</th>\n",
       "      <th>AtomPair_1949</th>\n",
       "      <th>AtomPair_1950</th>\n",
       "      <th>AtomPair_1951</th>\n",
       "      <th>AtomPair_1952</th>\n",
       "      <th>AtomPair_1953</th>\n",
       "      <th>AtomPair_1954</th>\n",
       "      <th>AtomPair_1955</th>\n",
       "      <th>AtomPair_1956</th>\n",
       "      <th>AtomPair_1957</th>\n",
       "      <th>AtomPair_1958</th>\n",
       "      <th>AtomPair_1959</th>\n",
       "      <th>AtomPair_1960</th>\n",
       "      <th>AtomPair_1961</th>\n",
       "      <th>AtomPair_1962</th>\n",
       "      <th>AtomPair_1963</th>\n",
       "      <th>AtomPair_1964</th>\n",
       "      <th>AtomPair_1965</th>\n",
       "      <th>AtomPair_1966</th>\n",
       "      <th>AtomPair_1967</th>\n",
       "      <th>AtomPair_1968</th>\n",
       "      <th>AtomPair_1969</th>\n",
       "      <th>AtomPair_1970</th>\n",
       "      <th>AtomPair_1971</th>\n",
       "      <th>AtomPair_1972</th>\n",
       "      <th>AtomPair_1973</th>\n",
       "      <th>AtomPair_1974</th>\n",
       "      <th>AtomPair_1975</th>\n",
       "      <th>AtomPair_1976</th>\n",
       "      <th>AtomPair_1977</th>\n",
       "      <th>AtomPair_1978</th>\n",
       "      <th>AtomPair_1979</th>\n",
       "      <th>AtomPair_1980</th>\n",
       "      <th>AtomPair_1981</th>\n",
       "      <th>AtomPair_1982</th>\n",
       "      <th>AtomPair_1983</th>\n",
       "      <th>AtomPair_1984</th>\n",
       "      <th>AtomPair_1985</th>\n",
       "      <th>AtomPair_1986</th>\n",
       "      <th>AtomPair_1987</th>\n",
       "      <th>AtomPair_1988</th>\n",
       "      <th>AtomPair_1989</th>\n",
       "      <th>AtomPair_1990</th>\n",
       "      <th>AtomPair_1991</th>\n",
       "      <th>AtomPair_1992</th>\n",
       "      <th>AtomPair_1993</th>\n",
       "      <th>AtomPair_1994</th>\n",
       "      <th>AtomPair_1995</th>\n",
       "      <th>AtomPair_1996</th>\n",
       "      <th>AtomPair_1997</th>\n",
       "      <th>AtomPair_1998</th>\n",
       "      <th>AtomPair_1999</th>\n",
       "      <th>AtomPair_2000</th>\n",
       "      <th>AtomPair_2001</th>\n",
       "      <th>AtomPair_2002</th>\n",
       "      <th>AtomPair_2003</th>\n",
       "      <th>AtomPair_2004</th>\n",
       "      <th>AtomPair_2005</th>\n",
       "      <th>AtomPair_2006</th>\n",
       "      <th>AtomPair_2007</th>\n",
       "      <th>AtomPair_2008</th>\n",
       "      <th>AtomPair_2009</th>\n",
       "      <th>AtomPair_2010</th>\n",
       "      <th>AtomPair_2011</th>\n",
       "      <th>AtomPair_2012</th>\n",
       "      <th>AtomPair_2013</th>\n",
       "      <th>AtomPair_2014</th>\n",
       "      <th>AtomPair_2015</th>\n",
       "      <th>AtomPair_2016</th>\n",
       "      <th>AtomPair_2017</th>\n",
       "      <th>AtomPair_2018</th>\n",
       "      <th>AtomPair_2019</th>\n",
       "      <th>AtomPair_2020</th>\n",
       "      <th>AtomPair_2021</th>\n",
       "      <th>AtomPair_2022</th>\n",
       "      <th>AtomPair_2023</th>\n",
       "      <th>AtomPair_2024</th>\n",
       "      <th>AtomPair_2025</th>\n",
       "      <th>AtomPair_2026</th>\n",
       "      <th>AtomPair_2027</th>\n",
       "      <th>AtomPair_2028</th>\n",
       "      <th>AtomPair_2029</th>\n",
       "      <th>AtomPair_2030</th>\n",
       "      <th>AtomPair_2031</th>\n",
       "      <th>AtomPair_2032</th>\n",
       "      <th>AtomPair_2033</th>\n",
       "      <th>AtomPair_2034</th>\n",
       "      <th>AtomPair_2035</th>\n",
       "      <th>AtomPair_2036</th>\n",
       "      <th>AtomPair_2037</th>\n",
       "      <th>AtomPair_2038</th>\n",
       "      <th>AtomPair_2039</th>\n",
       "      <th>AtomPair_2040</th>\n",
       "      <th>AtomPair_2041</th>\n",
       "      <th>AtomPair_2042</th>\n",
       "      <th>AtomPair_2043</th>\n",
       "      <th>AtomPair_2044</th>\n",
       "      <th>AtomPair_2045</th>\n",
       "      <th>AtomPair_2046</th>\n",
       "      <th>AtomPair_2047</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>BRD-A60245366</th>\n",
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       "      <td>0.0</td>\n",
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       "      <td>1.0</td>\n",
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      "text/plain": [
       "               AtomPair_0  AtomPair_1  AtomPair_2  AtomPair_3  AtomPair_4  AtomPair_5  AtomPair_6  AtomPair_7  AtomPair_8  AtomPair_9  AtomPair_10  AtomPair_11  AtomPair_12  AtomPair_13  AtomPair_14  AtomPair_15  AtomPair_16  AtomPair_17  AtomPair_18  AtomPair_19  AtomPair_20  AtomPair_21  AtomPair_22  AtomPair_23  AtomPair_24  AtomPair_25  AtomPair_26  AtomPair_27  AtomPair_28  AtomPair_29  AtomPair_30  AtomPair_31  AtomPair_32  AtomPair_33  AtomPair_34  AtomPair_35  AtomPair_36  AtomPair_37  AtomPair_38  AtomPair_39  AtomPair_40  AtomPair_41  AtomPair_42  AtomPair_43  AtomPair_44  AtomPair_45  AtomPair_46  AtomPair_47  AtomPair_48  AtomPair_49  AtomPair_50  AtomPair_51  AtomPair_52  AtomPair_53  AtomPair_54  AtomPair_55  AtomPair_56  AtomPair_57  AtomPair_58  AtomPair_59  AtomPair_60  AtomPair_61  AtomPair_62  AtomPair_63  AtomPair_64  AtomPair_65  AtomPair_66  AtomPair_67  AtomPair_68  AtomPair_69  AtomPair_70  AtomPair_71  AtomPair_72  AtomPair_73  AtomPair_74  AtomPair_75  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      ]
     },
     "execution_count": 100,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ap_df.head(2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 101,
   "metadata": {},
   "outputs": [],
   "source": [
    "filename = 'Output/AtomPair_BMatrix_map_%s.tsv.zip'% str(datetime.date.today())[0:7].replace('-', '_')\n",
    "ap_df.to_csv(filename, sep='\\t', compression='gzip')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Topological Fingerprints"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 102,
   "metadata": {},
   "outputs": [],
   "source": [
    "top_fps = [FingerprintMols.FingerprintMol(x , minPath = 1, maxPath = 7, fpSize = 2048, bitsPerHash = 2, useHs = True, tgtDensity = 0, minSize = 128) for x in df['Molecule']]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 103,
   "metadata": {},
   "outputs": [],
   "source": [
    "top_np_fps = []\n",
    "for fp in top_fps:\n",
    "    arr = np.zeros((1,))\n",
    "    DataStructs.ConvertToNumpyArray(fp, arr)\n",
    "    top_np_fps.append(arr)\n",
    "\n",
    "top_df = pd.DataFrame(top_np_fps, index = all_drugs)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 104,
   "metadata": {},
   "outputs": [],
   "source": [
    "column_labels = []\n",
    "for col in top_df.columns:\n",
    "    column_labels.append('Top_' + str(col))\n",
    "top_df.columns = column_labels"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 105,
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
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       "      <th></th>\n",
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       "      <th>Top_2</th>\n",
       "      <th>Top_3</th>\n",
       "      <th>Top_4</th>\n",
       "      <th>Top_5</th>\n",
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       "      <th>Top_40</th>\n",
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       "      <th>Top_466</th>\n",
       "      <th>Top_467</th>\n",
       "      <th>Top_468</th>\n",
       "      <th>Top_469</th>\n",
       "      <th>Top_470</th>\n",
       "      <th>Top_471</th>\n",
       "      <th>Top_472</th>\n",
       "      <th>Top_473</th>\n",
       "      <th>Top_474</th>\n",
       "      <th>Top_475</th>\n",
       "      <th>Top_476</th>\n",
       "      <th>Top_477</th>\n",
       "      <th>Top_478</th>\n",
       "      <th>Top_479</th>\n",
       "      <th>Top_480</th>\n",
       "      <th>Top_481</th>\n",
       "      <th>Top_482</th>\n",
       "      <th>Top_483</th>\n",
       "      <th>Top_484</th>\n",
       "      <th>Top_485</th>\n",
       "      <th>Top_486</th>\n",
       "      <th>Top_487</th>\n",
       "      <th>Top_488</th>\n",
       "      <th>Top_489</th>\n",
       "      <th>Top_490</th>\n",
       "      <th>Top_491</th>\n",
       "      <th>Top_492</th>\n",
       "      <th>Top_493</th>\n",
       "      <th>Top_494</th>\n",
       "      <th>Top_495</th>\n",
       "      <th>Top_496</th>\n",
       "      <th>Top_497</th>\n",
       "      <th>Top_498</th>\n",
       "      <th>Top_499</th>\n",
       "      <th>Top_500</th>\n",
       "      <th>Top_501</th>\n",
       "      <th>Top_502</th>\n",
       "      <th>Top_503</th>\n",
       "      <th>Top_504</th>\n",
       "      <th>Top_505</th>\n",
       "      <th>Top_506</th>\n",
       "      <th>Top_507</th>\n",
       "      <th>Top_508</th>\n",
       "      <th>Top_509</th>\n",
       "      <th>Top_510</th>\n",
       "      <th>Top_511</th>\n",
       "      <th>Top_512</th>\n",
       "      <th>Top_513</th>\n",
       "      <th>Top_514</th>\n",
       "      <th>Top_515</th>\n",
       "      <th>Top_516</th>\n",
       "      <th>Top_517</th>\n",
       "      <th>Top_518</th>\n",
       "      <th>Top_519</th>\n",
       "      <th>Top_520</th>\n",
       "      <th>Top_521</th>\n",
       "      <th>Top_522</th>\n",
       "      <th>Top_523</th>\n",
       "      <th>Top_524</th>\n",
       "      <th>Top_525</th>\n",
       "      <th>Top_526</th>\n",
       "      <th>Top_527</th>\n",
       "      <th>Top_528</th>\n",
       "      <th>Top_529</th>\n",
       "      <th>Top_530</th>\n",
       "      <th>Top_531</th>\n",
       "      <th>Top_532</th>\n",
       "      <th>Top_533</th>\n",
       "      <th>Top_534</th>\n",
       "      <th>Top_535</th>\n",
       "      <th>Top_536</th>\n",
       "      <th>Top_537</th>\n",
       "      <th>Top_538</th>\n",
       "      <th>Top_539</th>\n",
       "      <th>Top_540</th>\n",
       "      <th>Top_541</th>\n",
       "      <th>Top_542</th>\n",
       "      <th>Top_543</th>\n",
       "      <th>Top_544</th>\n",
       "      <th>Top_545</th>\n",
       "      <th>Top_546</th>\n",
       "      <th>Top_547</th>\n",
       "      <th>Top_548</th>\n",
       "      <th>Top_549</th>\n",
       "      <th>Top_550</th>\n",
       "      <th>Top_551</th>\n",
       "      <th>Top_552</th>\n",
       "      <th>Top_553</th>\n",
       "      <th>Top_554</th>\n",
       "      <th>Top_555</th>\n",
       "      <th>Top_556</th>\n",
       "      <th>Top_557</th>\n",
       "      <th>Top_558</th>\n",
       "      <th>Top_559</th>\n",
       "      <th>Top_560</th>\n",
       "      <th>Top_561</th>\n",
       "      <th>Top_562</th>\n",
       "      <th>Top_563</th>\n",
       "      <th>Top_564</th>\n",
       "      <th>Top_565</th>\n",
       "      <th>Top_566</th>\n",
       "      <th>Top_567</th>\n",
       "      <th>Top_568</th>\n",
       "      <th>Top_569</th>\n",
       "      <th>Top_570</th>\n",
       "      <th>Top_571</th>\n",
       "      <th>Top_572</th>\n",
       "      <th>Top_573</th>\n",
       "      <th>Top_574</th>\n",
       "      <th>Top_575</th>\n",
       "      <th>Top_576</th>\n",
       "      <th>Top_577</th>\n",
       "      <th>Top_578</th>\n",
       "      <th>Top_579</th>\n",
       "      <th>Top_580</th>\n",
       "      <th>Top_581</th>\n",
       "      <th>Top_582</th>\n",
       "      <th>Top_583</th>\n",
       "      <th>Top_584</th>\n",
       "      <th>Top_585</th>\n",
       "      <th>Top_586</th>\n",
       "      <th>Top_587</th>\n",
       "      <th>Top_588</th>\n",
       "      <th>Top_589</th>\n",
       "      <th>Top_590</th>\n",
       "      <th>Top_591</th>\n",
       "      <th>Top_592</th>\n",
       "      <th>Top_593</th>\n",
       "      <th>Top_594</th>\n",
       "      <th>Top_595</th>\n",
       "      <th>Top_596</th>\n",
       "      <th>Top_597</th>\n",
       "      <th>Top_598</th>\n",
       "      <th>Top_599</th>\n",
       "      <th>Top_600</th>\n",
       "      <th>Top_601</th>\n",
       "      <th>Top_602</th>\n",
       "      <th>Top_603</th>\n",
       "      <th>Top_604</th>\n",
       "      <th>Top_605</th>\n",
       "      <th>Top_606</th>\n",
       "      <th>Top_607</th>\n",
       "      <th>Top_608</th>\n",
       "      <th>Top_609</th>\n",
       "      <th>Top_610</th>\n",
       "      <th>Top_611</th>\n",
       "      <th>Top_612</th>\n",
       "      <th>Top_613</th>\n",
       "      <th>Top_614</th>\n",
       "      <th>Top_615</th>\n",
       "      <th>Top_616</th>\n",
       "      <th>Top_617</th>\n",
       "      <th>Top_618</th>\n",
       "      <th>Top_619</th>\n",
       "      <th>Top_620</th>\n",
       "      <th>Top_621</th>\n",
       "      <th>Top_622</th>\n",
       "      <th>Top_623</th>\n",
       "      <th>Top_624</th>\n",
       "      <th>Top_625</th>\n",
       "      <th>Top_626</th>\n",
       "      <th>Top_627</th>\n",
       "      <th>Top_628</th>\n",
       "      <th>Top_629</th>\n",
       "      <th>Top_630</th>\n",
       "      <th>Top_631</th>\n",
       "      <th>Top_632</th>\n",
       "      <th>Top_633</th>\n",
       "      <th>Top_634</th>\n",
       "      <th>Top_635</th>\n",
       "      <th>Top_636</th>\n",
       "      <th>Top_637</th>\n",
       "      <th>Top_638</th>\n",
       "      <th>Top_639</th>\n",
       "      <th>Top_640</th>\n",
       "      <th>Top_641</th>\n",
       "      <th>Top_642</th>\n",
       "      <th>Top_643</th>\n",
       "      <th>Top_644</th>\n",
       "      <th>Top_645</th>\n",
       "      <th>Top_646</th>\n",
       "      <th>Top_647</th>\n",
       "      <th>Top_648</th>\n",
       "      <th>Top_649</th>\n",
       "      <th>Top_650</th>\n",
       "      <th>Top_651</th>\n",
       "      <th>Top_652</th>\n",
       "      <th>Top_653</th>\n",
       "      <th>Top_654</th>\n",
       "      <th>Top_655</th>\n",
       "      <th>Top_656</th>\n",
       "      <th>Top_657</th>\n",
       "      <th>Top_658</th>\n",
       "      <th>Top_659</th>\n",
       "      <th>Top_660</th>\n",
       "      <th>Top_661</th>\n",
       "      <th>Top_662</th>\n",
       "      <th>Top_663</th>\n",
       "      <th>Top_664</th>\n",
       "      <th>Top_665</th>\n",
       "      <th>Top_666</th>\n",
       "      <th>Top_667</th>\n",
       "      <th>Top_668</th>\n",
       "      <th>Top_669</th>\n",
       "      <th>Top_670</th>\n",
       "      <th>Top_671</th>\n",
       "      <th>Top_672</th>\n",
       "      <th>Top_673</th>\n",
       "      <th>Top_674</th>\n",
       "      <th>Top_675</th>\n",
       "      <th>Top_676</th>\n",
       "      <th>Top_677</th>\n",
       "      <th>Top_678</th>\n",
       "      <th>Top_679</th>\n",
       "      <th>Top_680</th>\n",
       "      <th>Top_681</th>\n",
       "      <th>Top_682</th>\n",
       "      <th>Top_683</th>\n",
       "      <th>Top_684</th>\n",
       "      <th>Top_685</th>\n",
       "      <th>Top_686</th>\n",
       "      <th>Top_687</th>\n",
       "      <th>Top_688</th>\n",
       "      <th>Top_689</th>\n",
       "      <th>Top_690</th>\n",
       "      <th>Top_691</th>\n",
       "      <th>Top_692</th>\n",
       "      <th>Top_693</th>\n",
       "      <th>Top_694</th>\n",
       "      <th>Top_695</th>\n",
       "      <th>Top_696</th>\n",
       "      <th>Top_697</th>\n",
       "      <th>Top_698</th>\n",
       "      <th>Top_699</th>\n",
       "      <th>Top_700</th>\n",
       "      <th>Top_701</th>\n",
       "      <th>Top_702</th>\n",
       "      <th>Top_703</th>\n",
       "      <th>Top_704</th>\n",
       "      <th>Top_705</th>\n",
       "      <th>Top_706</th>\n",
       "      <th>Top_707</th>\n",
       "      <th>Top_708</th>\n",
       "      <th>Top_709</th>\n",
       "      <th>Top_710</th>\n",
       "      <th>Top_711</th>\n",
       "      <th>Top_712</th>\n",
       "      <th>Top_713</th>\n",
       "      <th>Top_714</th>\n",
       "      <th>Top_715</th>\n",
       "      <th>Top_716</th>\n",
       "      <th>Top_717</th>\n",
       "      <th>Top_718</th>\n",
       "      <th>Top_719</th>\n",
       "      <th>Top_720</th>\n",
       "      <th>Top_721</th>\n",
       "      <th>Top_722</th>\n",
       "      <th>Top_723</th>\n",
       "      <th>Top_724</th>\n",
       "      <th>Top_725</th>\n",
       "      <th>Top_726</th>\n",
       "      <th>Top_727</th>\n",
       "      <th>Top_728</th>\n",
       "      <th>Top_729</th>\n",
       "      <th>Top_730</th>\n",
       "      <th>Top_731</th>\n",
       "      <th>Top_732</th>\n",
       "      <th>Top_733</th>\n",
       "      <th>Top_734</th>\n",
       "      <th>Top_735</th>\n",
       "      <th>Top_736</th>\n",
       "      <th>Top_737</th>\n",
       "      <th>Top_738</th>\n",
       "      <th>Top_739</th>\n",
       "      <th>Top_740</th>\n",
       "      <th>Top_741</th>\n",
       "      <th>Top_742</th>\n",
       "      <th>Top_743</th>\n",
       "      <th>Top_744</th>\n",
       "      <th>Top_745</th>\n",
       "      <th>Top_746</th>\n",
       "      <th>Top_747</th>\n",
       "      <th>Top_748</th>\n",
       "      <th>Top_749</th>\n",
       "      <th>Top_750</th>\n",
       "      <th>Top_751</th>\n",
       "      <th>Top_752</th>\n",
       "      <th>Top_753</th>\n",
       "      <th>Top_754</th>\n",
       "      <th>Top_755</th>\n",
       "      <th>Top_756</th>\n",
       "      <th>Top_757</th>\n",
       "      <th>Top_758</th>\n",
       "      <th>Top_759</th>\n",
       "      <th>Top_760</th>\n",
       "      <th>Top_761</th>\n",
       "      <th>Top_762</th>\n",
       "      <th>Top_763</th>\n",
       "      <th>Top_764</th>\n",
       "      <th>Top_765</th>\n",
       "      <th>Top_766</th>\n",
       "      <th>Top_767</th>\n",
       "      <th>Top_768</th>\n",
       "      <th>Top_769</th>\n",
       "      <th>Top_770</th>\n",
       "      <th>Top_771</th>\n",
       "      <th>Top_772</th>\n",
       "      <th>Top_773</th>\n",
       "      <th>Top_774</th>\n",
       "      <th>Top_775</th>\n",
       "      <th>Top_776</th>\n",
       "      <th>Top_777</th>\n",
       "      <th>Top_778</th>\n",
       "      <th>Top_779</th>\n",
       "      <th>Top_780</th>\n",
       "      <th>Top_781</th>\n",
       "      <th>Top_782</th>\n",
       "      <th>Top_783</th>\n",
       "      <th>Top_784</th>\n",
       "      <th>Top_785</th>\n",
       "      <th>Top_786</th>\n",
       "      <th>Top_787</th>\n",
       "      <th>Top_788</th>\n",
       "      <th>Top_789</th>\n",
       "      <th>Top_790</th>\n",
       "      <th>Top_791</th>\n",
       "      <th>Top_792</th>\n",
       "      <th>Top_793</th>\n",
       "      <th>Top_794</th>\n",
       "      <th>Top_795</th>\n",
       "      <th>Top_796</th>\n",
       "      <th>Top_797</th>\n",
       "      <th>Top_798</th>\n",
       "      <th>Top_799</th>\n",
       "      <th>Top_800</th>\n",
       "      <th>Top_801</th>\n",
       "      <th>Top_802</th>\n",
       "      <th>Top_803</th>\n",
       "      <th>Top_804</th>\n",
       "      <th>Top_805</th>\n",
       "      <th>Top_806</th>\n",
       "      <th>Top_807</th>\n",
       "      <th>Top_808</th>\n",
       "      <th>Top_809</th>\n",
       "      <th>Top_810</th>\n",
       "      <th>Top_811</th>\n",
       "      <th>Top_812</th>\n",
       "      <th>Top_813</th>\n",
       "      <th>Top_814</th>\n",
       "      <th>Top_815</th>\n",
       "      <th>Top_816</th>\n",
       "      <th>Top_817</th>\n",
       "      <th>Top_818</th>\n",
       "      <th>Top_819</th>\n",
       "      <th>Top_820</th>\n",
       "      <th>Top_821</th>\n",
       "      <th>Top_822</th>\n",
       "      <th>Top_823</th>\n",
       "      <th>Top_824</th>\n",
       "      <th>Top_825</th>\n",
       "      <th>Top_826</th>\n",
       "      <th>Top_827</th>\n",
       "      <th>Top_828</th>\n",
       "      <th>Top_829</th>\n",
       "      <th>Top_830</th>\n",
       "      <th>Top_831</th>\n",
       "      <th>Top_832</th>\n",
       "      <th>Top_833</th>\n",
       "      <th>Top_834</th>\n",
       "      <th>Top_835</th>\n",
       "      <th>Top_836</th>\n",
       "      <th>Top_837</th>\n",
       "      <th>Top_838</th>\n",
       "      <th>Top_839</th>\n",
       "      <th>Top_840</th>\n",
       "      <th>Top_841</th>\n",
       "      <th>Top_842</th>\n",
       "      <th>Top_843</th>\n",
       "      <th>Top_844</th>\n",
       "      <th>Top_845</th>\n",
       "      <th>Top_846</th>\n",
       "      <th>Top_847</th>\n",
       "      <th>Top_848</th>\n",
       "      <th>Top_849</th>\n",
       "      <th>Top_850</th>\n",
       "      <th>Top_851</th>\n",
       "      <th>Top_852</th>\n",
       "      <th>Top_853</th>\n",
       "      <th>Top_854</th>\n",
       "      <th>Top_855</th>\n",
       "      <th>Top_856</th>\n",
       "      <th>Top_857</th>\n",
       "      <th>Top_858</th>\n",
       "      <th>Top_859</th>\n",
       "      <th>Top_860</th>\n",
       "      <th>Top_861</th>\n",
       "      <th>Top_862</th>\n",
       "      <th>Top_863</th>\n",
       "      <th>Top_864</th>\n",
       "      <th>Top_865</th>\n",
       "      <th>Top_866</th>\n",
       "      <th>Top_867</th>\n",
       "      <th>Top_868</th>\n",
       "      <th>Top_869</th>\n",
       "      <th>Top_870</th>\n",
       "      <th>Top_871</th>\n",
       "      <th>Top_872</th>\n",
       "      <th>Top_873</th>\n",
       "      <th>Top_874</th>\n",
       "      <th>Top_875</th>\n",
       "      <th>Top_876</th>\n",
       "      <th>Top_877</th>\n",
       "      <th>Top_878</th>\n",
       "      <th>Top_879</th>\n",
       "      <th>Top_880</th>\n",
       "      <th>Top_881</th>\n",
       "      <th>Top_882</th>\n",
       "      <th>Top_883</th>\n",
       "      <th>Top_884</th>\n",
       "      <th>Top_885</th>\n",
       "      <th>Top_886</th>\n",
       "      <th>Top_887</th>\n",
       "      <th>Top_888</th>\n",
       "      <th>Top_889</th>\n",
       "      <th>Top_890</th>\n",
       "      <th>Top_891</th>\n",
       "      <th>Top_892</th>\n",
       "      <th>Top_893</th>\n",
       "      <th>Top_894</th>\n",
       "      <th>Top_895</th>\n",
       "      <th>Top_896</th>\n",
       "      <th>Top_897</th>\n",
       "      <th>Top_898</th>\n",
       "      <th>Top_899</th>\n",
       "      <th>Top_900</th>\n",
       "      <th>Top_901</th>\n",
       "      <th>Top_902</th>\n",
       "      <th>Top_903</th>\n",
       "      <th>Top_904</th>\n",
       "      <th>Top_905</th>\n",
       "      <th>Top_906</th>\n",
       "      <th>Top_907</th>\n",
       "      <th>Top_908</th>\n",
       "      <th>Top_909</th>\n",
       "      <th>Top_910</th>\n",
       "      <th>Top_911</th>\n",
       "      <th>Top_912</th>\n",
       "      <th>Top_913</th>\n",
       "      <th>Top_914</th>\n",
       "      <th>Top_915</th>\n",
       "      <th>Top_916</th>\n",
       "      <th>Top_917</th>\n",
       "      <th>Top_918</th>\n",
       "      <th>Top_919</th>\n",
       "      <th>Top_920</th>\n",
       "      <th>Top_921</th>\n",
       "      <th>Top_922</th>\n",
       "      <th>Top_923</th>\n",
       "      <th>Top_924</th>\n",
       "      <th>Top_925</th>\n",
       "      <th>Top_926</th>\n",
       "      <th>Top_927</th>\n",
       "      <th>Top_928</th>\n",
       "      <th>Top_929</th>\n",
       "      <th>Top_930</th>\n",
       "      <th>Top_931</th>\n",
       "      <th>Top_932</th>\n",
       "      <th>Top_933</th>\n",
       "      <th>Top_934</th>\n",
       "      <th>Top_935</th>\n",
       "      <th>Top_936</th>\n",
       "      <th>Top_937</th>\n",
       "      <th>Top_938</th>\n",
       "      <th>Top_939</th>\n",
       "      <th>Top_940</th>\n",
       "      <th>Top_941</th>\n",
       "      <th>Top_942</th>\n",
       "      <th>Top_943</th>\n",
       "      <th>Top_944</th>\n",
       "      <th>Top_945</th>\n",
       "      <th>Top_946</th>\n",
       "      <th>Top_947</th>\n",
       "      <th>Top_948</th>\n",
       "      <th>Top_949</th>\n",
       "      <th>Top_950</th>\n",
       "      <th>Top_951</th>\n",
       "      <th>Top_952</th>\n",
       "      <th>Top_953</th>\n",
       "      <th>Top_954</th>\n",
       "      <th>Top_955</th>\n",
       "      <th>Top_956</th>\n",
       "      <th>Top_957</th>\n",
       "      <th>Top_958</th>\n",
       "      <th>Top_959</th>\n",
       "      <th>Top_960</th>\n",
       "      <th>Top_961</th>\n",
       "      <th>Top_962</th>\n",
       "      <th>Top_963</th>\n",
       "      <th>Top_964</th>\n",
       "      <th>Top_965</th>\n",
       "      <th>Top_966</th>\n",
       "      <th>Top_967</th>\n",
       "      <th>Top_968</th>\n",
       "      <th>Top_969</th>\n",
       "      <th>Top_970</th>\n",
       "      <th>Top_971</th>\n",
       "      <th>Top_972</th>\n",
       "      <th>Top_973</th>\n",
       "      <th>Top_974</th>\n",
       "      <th>Top_975</th>\n",
       "      <th>Top_976</th>\n",
       "      <th>Top_977</th>\n",
       "      <th>Top_978</th>\n",
       "      <th>Top_979</th>\n",
       "      <th>Top_980</th>\n",
       "      <th>Top_981</th>\n",
       "      <th>Top_982</th>\n",
       "      <th>Top_983</th>\n",
       "      <th>Top_984</th>\n",
       "      <th>Top_985</th>\n",
       "      <th>Top_986</th>\n",
       "      <th>Top_987</th>\n",
       "      <th>Top_988</th>\n",
       "      <th>Top_989</th>\n",
       "      <th>Top_990</th>\n",
       "      <th>Top_991</th>\n",
       "      <th>Top_992</th>\n",
       "      <th>Top_993</th>\n",
       "      <th>Top_994</th>\n",
       "      <th>Top_995</th>\n",
       "      <th>Top_996</th>\n",
       "      <th>Top_997</th>\n",
       "      <th>Top_998</th>\n",
       "      <th>Top_999</th>\n",
       "      <th>Top_1000</th>\n",
       "      <th>Top_1001</th>\n",
       "      <th>Top_1002</th>\n",
       "      <th>Top_1003</th>\n",
       "      <th>Top_1004</th>\n",
       "      <th>Top_1005</th>\n",
       "      <th>Top_1006</th>\n",
       "      <th>Top_1007</th>\n",
       "      <th>Top_1008</th>\n",
       "      <th>Top_1009</th>\n",
       "      <th>Top_1010</th>\n",
       "      <th>Top_1011</th>\n",
       "      <th>Top_1012</th>\n",
       "      <th>Top_1013</th>\n",
       "      <th>Top_1014</th>\n",
       "      <th>Top_1015</th>\n",
       "      <th>Top_1016</th>\n",
       "      <th>Top_1017</th>\n",
       "      <th>Top_1018</th>\n",
       "      <th>Top_1019</th>\n",
       "      <th>Top_1020</th>\n",
       "      <th>Top_1021</th>\n",
       "      <th>Top_1022</th>\n",
       "      <th>Top_1023</th>\n",
       "      <th>Top_1024</th>\n",
       "      <th>Top_1025</th>\n",
       "      <th>Top_1026</th>\n",
       "      <th>Top_1027</th>\n",
       "      <th>Top_1028</th>\n",
       "      <th>Top_1029</th>\n",
       "      <th>Top_1030</th>\n",
       "      <th>Top_1031</th>\n",
       "      <th>Top_1032</th>\n",
       "      <th>Top_1033</th>\n",
       "      <th>Top_1034</th>\n",
       "      <th>Top_1035</th>\n",
       "      <th>Top_1036</th>\n",
       "      <th>Top_1037</th>\n",
       "      <th>Top_1038</th>\n",
       "      <th>Top_1039</th>\n",
       "      <th>Top_1040</th>\n",
       "      <th>Top_1041</th>\n",
       "      <th>Top_1042</th>\n",
       "      <th>Top_1043</th>\n",
       "      <th>Top_1044</th>\n",
       "      <th>Top_1045</th>\n",
       "      <th>Top_1046</th>\n",
       "      <th>Top_1047</th>\n",
       "      <th>Top_1048</th>\n",
       "      <th>Top_1049</th>\n",
       "      <th>Top_1050</th>\n",
       "      <th>Top_1051</th>\n",
       "      <th>Top_1052</th>\n",
       "      <th>Top_1053</th>\n",
       "      <th>Top_1054</th>\n",
       "      <th>Top_1055</th>\n",
       "      <th>Top_1056</th>\n",
       "      <th>Top_1057</th>\n",
       "      <th>Top_1058</th>\n",
       "      <th>Top_1059</th>\n",
       "      <th>Top_1060</th>\n",
       "      <th>Top_1061</th>\n",
       "      <th>Top_1062</th>\n",
       "      <th>Top_1063</th>\n",
       "      <th>Top_1064</th>\n",
       "      <th>Top_1065</th>\n",
       "      <th>Top_1066</th>\n",
       "      <th>Top_1067</th>\n",
       "      <th>Top_1068</th>\n",
       "      <th>Top_1069</th>\n",
       "      <th>Top_1070</th>\n",
       "      <th>Top_1071</th>\n",
       "      <th>Top_1072</th>\n",
       "      <th>Top_1073</th>\n",
       "      <th>Top_1074</th>\n",
       "      <th>Top_1075</th>\n",
       "      <th>Top_1076</th>\n",
       "      <th>Top_1077</th>\n",
       "      <th>Top_1078</th>\n",
       "      <th>Top_1079</th>\n",
       "      <th>Top_1080</th>\n",
       "      <th>Top_1081</th>\n",
       "      <th>Top_1082</th>\n",
       "      <th>Top_1083</th>\n",
       "      <th>Top_1084</th>\n",
       "      <th>Top_1085</th>\n",
       "      <th>Top_1086</th>\n",
       "      <th>Top_1087</th>\n",
       "      <th>Top_1088</th>\n",
       "      <th>Top_1089</th>\n",
       "      <th>Top_1090</th>\n",
       "      <th>Top_1091</th>\n",
       "      <th>Top_1092</th>\n",
       "      <th>Top_1093</th>\n",
       "      <th>Top_1094</th>\n",
       "      <th>Top_1095</th>\n",
       "      <th>Top_1096</th>\n",
       "      <th>Top_1097</th>\n",
       "      <th>Top_1098</th>\n",
       "      <th>Top_1099</th>\n",
       "      <th>Top_1100</th>\n",
       "      <th>Top_1101</th>\n",
       "      <th>Top_1102</th>\n",
       "      <th>Top_1103</th>\n",
       "      <th>Top_1104</th>\n",
       "      <th>Top_1105</th>\n",
       "      <th>Top_1106</th>\n",
       "      <th>Top_1107</th>\n",
       "      <th>Top_1108</th>\n",
       "      <th>Top_1109</th>\n",
       "      <th>Top_1110</th>\n",
       "      <th>Top_1111</th>\n",
       "      <th>Top_1112</th>\n",
       "      <th>Top_1113</th>\n",
       "      <th>Top_1114</th>\n",
       "      <th>Top_1115</th>\n",
       "      <th>Top_1116</th>\n",
       "      <th>Top_1117</th>\n",
       "      <th>Top_1118</th>\n",
       "      <th>Top_1119</th>\n",
       "      <th>Top_1120</th>\n",
       "      <th>Top_1121</th>\n",
       "      <th>Top_1122</th>\n",
       "      <th>Top_1123</th>\n",
       "      <th>Top_1124</th>\n",
       "      <th>Top_1125</th>\n",
       "      <th>Top_1126</th>\n",
       "      <th>Top_1127</th>\n",
       "      <th>Top_1128</th>\n",
       "      <th>Top_1129</th>\n",
       "      <th>Top_1130</th>\n",
       "      <th>Top_1131</th>\n",
       "      <th>Top_1132</th>\n",
       "      <th>Top_1133</th>\n",
       "      <th>Top_1134</th>\n",
       "      <th>Top_1135</th>\n",
       "      <th>Top_1136</th>\n",
       "      <th>Top_1137</th>\n",
       "      <th>Top_1138</th>\n",
       "      <th>Top_1139</th>\n",
       "      <th>Top_1140</th>\n",
       "      <th>Top_1141</th>\n",
       "      <th>Top_1142</th>\n",
       "      <th>Top_1143</th>\n",
       "      <th>Top_1144</th>\n",
       "      <th>Top_1145</th>\n",
       "      <th>Top_1146</th>\n",
       "      <th>Top_1147</th>\n",
       "      <th>Top_1148</th>\n",
       "      <th>Top_1149</th>\n",
       "      <th>Top_1150</th>\n",
       "      <th>Top_1151</th>\n",
       "      <th>Top_1152</th>\n",
       "      <th>Top_1153</th>\n",
       "      <th>Top_1154</th>\n",
       "      <th>Top_1155</th>\n",
       "      <th>Top_1156</th>\n",
       "      <th>Top_1157</th>\n",
       "      <th>Top_1158</th>\n",
       "      <th>Top_1159</th>\n",
       "      <th>Top_1160</th>\n",
       "      <th>Top_1161</th>\n",
       "      <th>Top_1162</th>\n",
       "      <th>Top_1163</th>\n",
       "      <th>Top_1164</th>\n",
       "      <th>Top_1165</th>\n",
       "      <th>Top_1166</th>\n",
       "      <th>Top_1167</th>\n",
       "      <th>Top_1168</th>\n",
       "      <th>Top_1169</th>\n",
       "      <th>Top_1170</th>\n",
       "      <th>Top_1171</th>\n",
       "      <th>Top_1172</th>\n",
       "      <th>Top_1173</th>\n",
       "      <th>Top_1174</th>\n",
       "      <th>Top_1175</th>\n",
       "      <th>Top_1176</th>\n",
       "      <th>Top_1177</th>\n",
       "      <th>Top_1178</th>\n",
       "      <th>Top_1179</th>\n",
       "      <th>Top_1180</th>\n",
       "      <th>Top_1181</th>\n",
       "      <th>Top_1182</th>\n",
       "      <th>Top_1183</th>\n",
       "      <th>Top_1184</th>\n",
       "      <th>Top_1185</th>\n",
       "      <th>Top_1186</th>\n",
       "      <th>Top_1187</th>\n",
       "      <th>Top_1188</th>\n",
       "      <th>Top_1189</th>\n",
       "      <th>Top_1190</th>\n",
       "      <th>Top_1191</th>\n",
       "      <th>Top_1192</th>\n",
       "      <th>Top_1193</th>\n",
       "      <th>Top_1194</th>\n",
       "      <th>Top_1195</th>\n",
       "      <th>Top_1196</th>\n",
       "      <th>Top_1197</th>\n",
       "      <th>Top_1198</th>\n",
       "      <th>Top_1199</th>\n",
       "      <th>Top_1200</th>\n",
       "      <th>Top_1201</th>\n",
       "      <th>Top_1202</th>\n",
       "      <th>Top_1203</th>\n",
       "      <th>Top_1204</th>\n",
       "      <th>Top_1205</th>\n",
       "      <th>Top_1206</th>\n",
       "      <th>Top_1207</th>\n",
       "      <th>Top_1208</th>\n",
       "      <th>Top_1209</th>\n",
       "      <th>Top_1210</th>\n",
       "      <th>Top_1211</th>\n",
       "      <th>Top_1212</th>\n",
       "      <th>Top_1213</th>\n",
       "      <th>Top_1214</th>\n",
       "      <th>Top_1215</th>\n",
       "      <th>Top_1216</th>\n",
       "      <th>Top_1217</th>\n",
       "      <th>Top_1218</th>\n",
       "      <th>Top_1219</th>\n",
       "      <th>Top_1220</th>\n",
       "      <th>Top_1221</th>\n",
       "      <th>Top_1222</th>\n",
       "      <th>Top_1223</th>\n",
       "      <th>Top_1224</th>\n",
       "      <th>Top_1225</th>\n",
       "      <th>Top_1226</th>\n",
       "      <th>Top_1227</th>\n",
       "      <th>Top_1228</th>\n",
       "      <th>Top_1229</th>\n",
       "      <th>Top_1230</th>\n",
       "      <th>Top_1231</th>\n",
       "      <th>Top_1232</th>\n",
       "      <th>Top_1233</th>\n",
       "      <th>Top_1234</th>\n",
       "      <th>Top_1235</th>\n",
       "      <th>Top_1236</th>\n",
       "      <th>Top_1237</th>\n",
       "      <th>Top_1238</th>\n",
       "      <th>Top_1239</th>\n",
       "      <th>Top_1240</th>\n",
       "      <th>Top_1241</th>\n",
       "      <th>Top_1242</th>\n",
       "      <th>Top_1243</th>\n",
       "      <th>Top_1244</th>\n",
       "      <th>Top_1245</th>\n",
       "      <th>Top_1246</th>\n",
       "      <th>Top_1247</th>\n",
       "      <th>Top_1248</th>\n",
       "      <th>Top_1249</th>\n",
       "      <th>Top_1250</th>\n",
       "      <th>Top_1251</th>\n",
       "      <th>Top_1252</th>\n",
       "      <th>Top_1253</th>\n",
       "      <th>Top_1254</th>\n",
       "      <th>Top_1255</th>\n",
       "      <th>Top_1256</th>\n",
       "      <th>Top_1257</th>\n",
       "      <th>Top_1258</th>\n",
       "      <th>Top_1259</th>\n",
       "      <th>Top_1260</th>\n",
       "      <th>Top_1261</th>\n",
       "      <th>Top_1262</th>\n",
       "      <th>Top_1263</th>\n",
       "      <th>Top_1264</th>\n",
       "      <th>Top_1265</th>\n",
       "      <th>Top_1266</th>\n",
       "      <th>Top_1267</th>\n",
       "      <th>Top_1268</th>\n",
       "      <th>Top_1269</th>\n",
       "      <th>Top_1270</th>\n",
       "      <th>Top_1271</th>\n",
       "      <th>Top_1272</th>\n",
       "      <th>Top_1273</th>\n",
       "      <th>Top_1274</th>\n",
       "      <th>Top_1275</th>\n",
       "      <th>Top_1276</th>\n",
       "      <th>Top_1277</th>\n",
       "      <th>Top_1278</th>\n",
       "      <th>Top_1279</th>\n",
       "      <th>Top_1280</th>\n",
       "      <th>Top_1281</th>\n",
       "      <th>Top_1282</th>\n",
       "      <th>Top_1283</th>\n",
       "      <th>Top_1284</th>\n",
       "      <th>Top_1285</th>\n",
       "      <th>Top_1286</th>\n",
       "      <th>Top_1287</th>\n",
       "      <th>Top_1288</th>\n",
       "      <th>Top_1289</th>\n",
       "      <th>Top_1290</th>\n",
       "      <th>Top_1291</th>\n",
       "      <th>Top_1292</th>\n",
       "      <th>Top_1293</th>\n",
       "      <th>Top_1294</th>\n",
       "      <th>Top_1295</th>\n",
       "      <th>Top_1296</th>\n",
       "      <th>Top_1297</th>\n",
       "      <th>Top_1298</th>\n",
       "      <th>Top_1299</th>\n",
       "      <th>Top_1300</th>\n",
       "      <th>Top_1301</th>\n",
       "      <th>Top_1302</th>\n",
       "      <th>Top_1303</th>\n",
       "      <th>Top_1304</th>\n",
       "      <th>Top_1305</th>\n",
       "      <th>Top_1306</th>\n",
       "      <th>Top_1307</th>\n",
       "      <th>Top_1308</th>\n",
       "      <th>Top_1309</th>\n",
       "      <th>Top_1310</th>\n",
       "      <th>Top_1311</th>\n",
       "      <th>Top_1312</th>\n",
       "      <th>Top_1313</th>\n",
       "      <th>Top_1314</th>\n",
       "      <th>Top_1315</th>\n",
       "      <th>Top_1316</th>\n",
       "      <th>Top_1317</th>\n",
       "      <th>Top_1318</th>\n",
       "      <th>Top_1319</th>\n",
       "      <th>Top_1320</th>\n",
       "      <th>Top_1321</th>\n",
       "      <th>Top_1322</th>\n",
       "      <th>Top_1323</th>\n",
       "      <th>Top_1324</th>\n",
       "      <th>Top_1325</th>\n",
       "      <th>Top_1326</th>\n",
       "      <th>Top_1327</th>\n",
       "      <th>Top_1328</th>\n",
       "      <th>Top_1329</th>\n",
       "      <th>Top_1330</th>\n",
       "      <th>Top_1331</th>\n",
       "      <th>Top_1332</th>\n",
       "      <th>Top_1333</th>\n",
       "      <th>Top_1334</th>\n",
       "      <th>Top_1335</th>\n",
       "      <th>Top_1336</th>\n",
       "      <th>Top_1337</th>\n",
       "      <th>Top_1338</th>\n",
       "      <th>Top_1339</th>\n",
       "      <th>Top_1340</th>\n",
       "      <th>Top_1341</th>\n",
       "      <th>Top_1342</th>\n",
       "      <th>Top_1343</th>\n",
       "      <th>Top_1344</th>\n",
       "      <th>Top_1345</th>\n",
       "      <th>Top_1346</th>\n",
       "      <th>Top_1347</th>\n",
       "      <th>Top_1348</th>\n",
       "      <th>Top_1349</th>\n",
       "      <th>Top_1350</th>\n",
       "      <th>Top_1351</th>\n",
       "      <th>Top_1352</th>\n",
       "      <th>Top_1353</th>\n",
       "      <th>Top_1354</th>\n",
       "      <th>Top_1355</th>\n",
       "      <th>Top_1356</th>\n",
       "      <th>Top_1357</th>\n",
       "      <th>Top_1358</th>\n",
       "      <th>Top_1359</th>\n",
       "      <th>Top_1360</th>\n",
       "      <th>Top_1361</th>\n",
       "      <th>Top_1362</th>\n",
       "      <th>Top_1363</th>\n",
       "      <th>Top_1364</th>\n",
       "      <th>Top_1365</th>\n",
       "      <th>Top_1366</th>\n",
       "      <th>Top_1367</th>\n",
       "      <th>Top_1368</th>\n",
       "      <th>Top_1369</th>\n",
       "      <th>Top_1370</th>\n",
       "      <th>Top_1371</th>\n",
       "      <th>Top_1372</th>\n",
       "      <th>Top_1373</th>\n",
       "      <th>Top_1374</th>\n",
       "      <th>Top_1375</th>\n",
       "      <th>Top_1376</th>\n",
       "      <th>Top_1377</th>\n",
       "      <th>Top_1378</th>\n",
       "      <th>Top_1379</th>\n",
       "      <th>Top_1380</th>\n",
       "      <th>Top_1381</th>\n",
       "      <th>Top_1382</th>\n",
       "      <th>Top_1383</th>\n",
       "      <th>Top_1384</th>\n",
       "      <th>Top_1385</th>\n",
       "      <th>Top_1386</th>\n",
       "      <th>Top_1387</th>\n",
       "      <th>Top_1388</th>\n",
       "      <th>Top_1389</th>\n",
       "      <th>Top_1390</th>\n",
       "      <th>Top_1391</th>\n",
       "      <th>Top_1392</th>\n",
       "      <th>Top_1393</th>\n",
       "      <th>Top_1394</th>\n",
       "      <th>Top_1395</th>\n",
       "      <th>Top_1396</th>\n",
       "      <th>Top_1397</th>\n",
       "      <th>Top_1398</th>\n",
       "      <th>Top_1399</th>\n",
       "      <th>Top_1400</th>\n",
       "      <th>Top_1401</th>\n",
       "      <th>Top_1402</th>\n",
       "      <th>Top_1403</th>\n",
       "      <th>Top_1404</th>\n",
       "      <th>Top_1405</th>\n",
       "      <th>Top_1406</th>\n",
       "      <th>Top_1407</th>\n",
       "      <th>Top_1408</th>\n",
       "      <th>Top_1409</th>\n",
       "      <th>Top_1410</th>\n",
       "      <th>Top_1411</th>\n",
       "      <th>Top_1412</th>\n",
       "      <th>Top_1413</th>\n",
       "      <th>Top_1414</th>\n",
       "      <th>Top_1415</th>\n",
       "      <th>Top_1416</th>\n",
       "      <th>Top_1417</th>\n",
       "      <th>Top_1418</th>\n",
       "      <th>Top_1419</th>\n",
       "      <th>Top_1420</th>\n",
       "      <th>Top_1421</th>\n",
       "      <th>Top_1422</th>\n",
       "      <th>Top_1423</th>\n",
       "      <th>Top_1424</th>\n",
       "      <th>Top_1425</th>\n",
       "      <th>Top_1426</th>\n",
       "      <th>Top_1427</th>\n",
       "      <th>Top_1428</th>\n",
       "      <th>Top_1429</th>\n",
       "      <th>Top_1430</th>\n",
       "      <th>Top_1431</th>\n",
       "      <th>Top_1432</th>\n",
       "      <th>Top_1433</th>\n",
       "      <th>Top_1434</th>\n",
       "      <th>Top_1435</th>\n",
       "      <th>Top_1436</th>\n",
       "      <th>Top_1437</th>\n",
       "      <th>Top_1438</th>\n",
       "      <th>Top_1439</th>\n",
       "      <th>Top_1440</th>\n",
       "      <th>Top_1441</th>\n",
       "      <th>Top_1442</th>\n",
       "      <th>Top_1443</th>\n",
       "      <th>Top_1444</th>\n",
       "      <th>Top_1445</th>\n",
       "      <th>Top_1446</th>\n",
       "      <th>Top_1447</th>\n",
       "      <th>Top_1448</th>\n",
       "      <th>Top_1449</th>\n",
       "      <th>Top_1450</th>\n",
       "      <th>Top_1451</th>\n",
       "      <th>Top_1452</th>\n",
       "      <th>Top_1453</th>\n",
       "      <th>Top_1454</th>\n",
       "      <th>Top_1455</th>\n",
       "      <th>Top_1456</th>\n",
       "      <th>Top_1457</th>\n",
       "      <th>Top_1458</th>\n",
       "      <th>Top_1459</th>\n",
       "      <th>Top_1460</th>\n",
       "      <th>Top_1461</th>\n",
       "      <th>Top_1462</th>\n",
       "      <th>Top_1463</th>\n",
       "      <th>Top_1464</th>\n",
       "      <th>Top_1465</th>\n",
       "      <th>Top_1466</th>\n",
       "      <th>Top_1467</th>\n",
       "      <th>Top_1468</th>\n",
       "      <th>Top_1469</th>\n",
       "      <th>Top_1470</th>\n",
       "      <th>Top_1471</th>\n",
       "      <th>Top_1472</th>\n",
       "      <th>Top_1473</th>\n",
       "      <th>Top_1474</th>\n",
       "      <th>Top_1475</th>\n",
       "      <th>Top_1476</th>\n",
       "      <th>Top_1477</th>\n",
       "      <th>Top_1478</th>\n",
       "      <th>Top_1479</th>\n",
       "      <th>Top_1480</th>\n",
       "      <th>Top_1481</th>\n",
       "      <th>Top_1482</th>\n",
       "      <th>Top_1483</th>\n",
       "      <th>Top_1484</th>\n",
       "      <th>Top_1485</th>\n",
       "      <th>Top_1486</th>\n",
       "      <th>Top_1487</th>\n",
       "      <th>Top_1488</th>\n",
       "      <th>Top_1489</th>\n",
       "      <th>Top_1490</th>\n",
       "      <th>Top_1491</th>\n",
       "      <th>Top_1492</th>\n",
       "      <th>Top_1493</th>\n",
       "      <th>Top_1494</th>\n",
       "      <th>Top_1495</th>\n",
       "      <th>Top_1496</th>\n",
       "      <th>Top_1497</th>\n",
       "      <th>Top_1498</th>\n",
       "      <th>Top_1499</th>\n",
       "      <th>Top_1500</th>\n",
       "      <th>Top_1501</th>\n",
       "      <th>Top_1502</th>\n",
       "      <th>Top_1503</th>\n",
       "      <th>Top_1504</th>\n",
       "      <th>Top_1505</th>\n",
       "      <th>Top_1506</th>\n",
       "      <th>Top_1507</th>\n",
       "      <th>Top_1508</th>\n",
       "      <th>Top_1509</th>\n",
       "      <th>Top_1510</th>\n",
       "      <th>Top_1511</th>\n",
       "      <th>Top_1512</th>\n",
       "      <th>Top_1513</th>\n",
       "      <th>Top_1514</th>\n",
       "      <th>Top_1515</th>\n",
       "      <th>Top_1516</th>\n",
       "      <th>Top_1517</th>\n",
       "      <th>Top_1518</th>\n",
       "      <th>Top_1519</th>\n",
       "      <th>Top_1520</th>\n",
       "      <th>Top_1521</th>\n",
       "      <th>Top_1522</th>\n",
       "      <th>Top_1523</th>\n",
       "      <th>Top_1524</th>\n",
       "      <th>Top_1525</th>\n",
       "      <th>Top_1526</th>\n",
       "      <th>Top_1527</th>\n",
       "      <th>Top_1528</th>\n",
       "      <th>Top_1529</th>\n",
       "      <th>Top_1530</th>\n",
       "      <th>Top_1531</th>\n",
       "      <th>Top_1532</th>\n",
       "      <th>Top_1533</th>\n",
       "      <th>Top_1534</th>\n",
       "      <th>Top_1535</th>\n",
       "      <th>Top_1536</th>\n",
       "      <th>Top_1537</th>\n",
       "      <th>Top_1538</th>\n",
       "      <th>Top_1539</th>\n",
       "      <th>Top_1540</th>\n",
       "      <th>Top_1541</th>\n",
       "      <th>Top_1542</th>\n",
       "      <th>Top_1543</th>\n",
       "      <th>Top_1544</th>\n",
       "      <th>Top_1545</th>\n",
       "      <th>Top_1546</th>\n",
       "      <th>Top_1547</th>\n",
       "      <th>Top_1548</th>\n",
       "      <th>Top_1549</th>\n",
       "      <th>Top_1550</th>\n",
       "      <th>Top_1551</th>\n",
       "      <th>Top_1552</th>\n",
       "      <th>Top_1553</th>\n",
       "      <th>Top_1554</th>\n",
       "      <th>Top_1555</th>\n",
       "      <th>Top_1556</th>\n",
       "      <th>Top_1557</th>\n",
       "      <th>Top_1558</th>\n",
       "      <th>Top_1559</th>\n",
       "      <th>Top_1560</th>\n",
       "      <th>Top_1561</th>\n",
       "      <th>Top_1562</th>\n",
       "      <th>Top_1563</th>\n",
       "      <th>Top_1564</th>\n",
       "      <th>Top_1565</th>\n",
       "      <th>Top_1566</th>\n",
       "      <th>Top_1567</th>\n",
       "      <th>Top_1568</th>\n",
       "      <th>Top_1569</th>\n",
       "      <th>Top_1570</th>\n",
       "      <th>Top_1571</th>\n",
       "      <th>Top_1572</th>\n",
       "      <th>Top_1573</th>\n",
       "      <th>Top_1574</th>\n",
       "      <th>Top_1575</th>\n",
       "      <th>Top_1576</th>\n",
       "      <th>Top_1577</th>\n",
       "      <th>Top_1578</th>\n",
       "      <th>Top_1579</th>\n",
       "      <th>Top_1580</th>\n",
       "      <th>Top_1581</th>\n",
       "      <th>Top_1582</th>\n",
       "      <th>Top_1583</th>\n",
       "      <th>Top_1584</th>\n",
       "      <th>Top_1585</th>\n",
       "      <th>Top_1586</th>\n",
       "      <th>Top_1587</th>\n",
       "      <th>Top_1588</th>\n",
       "      <th>Top_1589</th>\n",
       "      <th>Top_1590</th>\n",
       "      <th>Top_1591</th>\n",
       "      <th>Top_1592</th>\n",
       "      <th>Top_1593</th>\n",
       "      <th>Top_1594</th>\n",
       "      <th>Top_1595</th>\n",
       "      <th>Top_1596</th>\n",
       "      <th>Top_1597</th>\n",
       "      <th>Top_1598</th>\n",
       "      <th>Top_1599</th>\n",
       "      <th>Top_1600</th>\n",
       "      <th>Top_1601</th>\n",
       "      <th>Top_1602</th>\n",
       "      <th>Top_1603</th>\n",
       "      <th>Top_1604</th>\n",
       "      <th>Top_1605</th>\n",
       "      <th>Top_1606</th>\n",
       "      <th>Top_1607</th>\n",
       "      <th>Top_1608</th>\n",
       "      <th>Top_1609</th>\n",
       "      <th>Top_1610</th>\n",
       "      <th>Top_1611</th>\n",
       "      <th>Top_1612</th>\n",
       "      <th>Top_1613</th>\n",
       "      <th>Top_1614</th>\n",
       "      <th>Top_1615</th>\n",
       "      <th>Top_1616</th>\n",
       "      <th>Top_1617</th>\n",
       "      <th>Top_1618</th>\n",
       "      <th>Top_1619</th>\n",
       "      <th>Top_1620</th>\n",
       "      <th>Top_1621</th>\n",
       "      <th>Top_1622</th>\n",
       "      <th>Top_1623</th>\n",
       "      <th>Top_1624</th>\n",
       "      <th>Top_1625</th>\n",
       "      <th>Top_1626</th>\n",
       "      <th>Top_1627</th>\n",
       "      <th>Top_1628</th>\n",
       "      <th>Top_1629</th>\n",
       "      <th>Top_1630</th>\n",
       "      <th>Top_1631</th>\n",
       "      <th>Top_1632</th>\n",
       "      <th>Top_1633</th>\n",
       "      <th>Top_1634</th>\n",
       "      <th>Top_1635</th>\n",
       "      <th>Top_1636</th>\n",
       "      <th>Top_1637</th>\n",
       "      <th>Top_1638</th>\n",
       "      <th>Top_1639</th>\n",
       "      <th>Top_1640</th>\n",
       "      <th>Top_1641</th>\n",
       "      <th>Top_1642</th>\n",
       "      <th>Top_1643</th>\n",
       "      <th>Top_1644</th>\n",
       "      <th>Top_1645</th>\n",
       "      <th>Top_1646</th>\n",
       "      <th>Top_1647</th>\n",
       "      <th>Top_1648</th>\n",
       "      <th>Top_1649</th>\n",
       "      <th>Top_1650</th>\n",
       "      <th>Top_1651</th>\n",
       "      <th>Top_1652</th>\n",
       "      <th>Top_1653</th>\n",
       "      <th>Top_1654</th>\n",
       "      <th>Top_1655</th>\n",
       "      <th>Top_1656</th>\n",
       "      <th>Top_1657</th>\n",
       "      <th>Top_1658</th>\n",
       "      <th>Top_1659</th>\n",
       "      <th>Top_1660</th>\n",
       "      <th>Top_1661</th>\n",
       "      <th>Top_1662</th>\n",
       "      <th>Top_1663</th>\n",
       "      <th>Top_1664</th>\n",
       "      <th>Top_1665</th>\n",
       "      <th>Top_1666</th>\n",
       "      <th>Top_1667</th>\n",
       "      <th>Top_1668</th>\n",
       "      <th>Top_1669</th>\n",
       "      <th>Top_1670</th>\n",
       "      <th>Top_1671</th>\n",
       "      <th>Top_1672</th>\n",
       "      <th>Top_1673</th>\n",
       "      <th>Top_1674</th>\n",
       "      <th>Top_1675</th>\n",
       "      <th>Top_1676</th>\n",
       "      <th>Top_1677</th>\n",
       "      <th>Top_1678</th>\n",
       "      <th>Top_1679</th>\n",
       "      <th>Top_1680</th>\n",
       "      <th>Top_1681</th>\n",
       "      <th>Top_1682</th>\n",
       "      <th>Top_1683</th>\n",
       "      <th>Top_1684</th>\n",
       "      <th>Top_1685</th>\n",
       "      <th>Top_1686</th>\n",
       "      <th>Top_1687</th>\n",
       "      <th>Top_1688</th>\n",
       "      <th>Top_1689</th>\n",
       "      <th>Top_1690</th>\n",
       "      <th>Top_1691</th>\n",
       "      <th>Top_1692</th>\n",
       "      <th>Top_1693</th>\n",
       "      <th>Top_1694</th>\n",
       "      <th>Top_1695</th>\n",
       "      <th>Top_1696</th>\n",
       "      <th>Top_1697</th>\n",
       "      <th>Top_1698</th>\n",
       "      <th>Top_1699</th>\n",
       "      <th>Top_1700</th>\n",
       "      <th>Top_1701</th>\n",
       "      <th>Top_1702</th>\n",
       "      <th>Top_1703</th>\n",
       "      <th>Top_1704</th>\n",
       "      <th>Top_1705</th>\n",
       "      <th>Top_1706</th>\n",
       "      <th>Top_1707</th>\n",
       "      <th>Top_1708</th>\n",
       "      <th>Top_1709</th>\n",
       "      <th>Top_1710</th>\n",
       "      <th>Top_1711</th>\n",
       "      <th>Top_1712</th>\n",
       "      <th>Top_1713</th>\n",
       "      <th>Top_1714</th>\n",
       "      <th>Top_1715</th>\n",
       "      <th>Top_1716</th>\n",
       "      <th>Top_1717</th>\n",
       "      <th>Top_1718</th>\n",
       "      <th>Top_1719</th>\n",
       "      <th>Top_1720</th>\n",
       "      <th>Top_1721</th>\n",
       "      <th>Top_1722</th>\n",
       "      <th>Top_1723</th>\n",
       "      <th>Top_1724</th>\n",
       "      <th>Top_1725</th>\n",
       "      <th>Top_1726</th>\n",
       "      <th>Top_1727</th>\n",
       "      <th>Top_1728</th>\n",
       "      <th>Top_1729</th>\n",
       "      <th>Top_1730</th>\n",
       "      <th>Top_1731</th>\n",
       "      <th>Top_1732</th>\n",
       "      <th>Top_1733</th>\n",
       "      <th>Top_1734</th>\n",
       "      <th>Top_1735</th>\n",
       "      <th>Top_1736</th>\n",
       "      <th>Top_1737</th>\n",
       "      <th>Top_1738</th>\n",
       "      <th>Top_1739</th>\n",
       "      <th>Top_1740</th>\n",
       "      <th>Top_1741</th>\n",
       "      <th>Top_1742</th>\n",
       "      <th>Top_1743</th>\n",
       "      <th>Top_1744</th>\n",
       "      <th>Top_1745</th>\n",
       "      <th>Top_1746</th>\n",
       "      <th>Top_1747</th>\n",
       "      <th>Top_1748</th>\n",
       "      <th>Top_1749</th>\n",
       "      <th>Top_1750</th>\n",
       "      <th>Top_1751</th>\n",
       "      <th>Top_1752</th>\n",
       "      <th>Top_1753</th>\n",
       "      <th>Top_1754</th>\n",
       "      <th>Top_1755</th>\n",
       "      <th>Top_1756</th>\n",
       "      <th>Top_1757</th>\n",
       "      <th>Top_1758</th>\n",
       "      <th>Top_1759</th>\n",
       "      <th>Top_1760</th>\n",
       "      <th>Top_1761</th>\n",
       "      <th>Top_1762</th>\n",
       "      <th>Top_1763</th>\n",
       "      <th>Top_1764</th>\n",
       "      <th>Top_1765</th>\n",
       "      <th>Top_1766</th>\n",
       "      <th>Top_1767</th>\n",
       "      <th>Top_1768</th>\n",
       "      <th>Top_1769</th>\n",
       "      <th>Top_1770</th>\n",
       "      <th>Top_1771</th>\n",
       "      <th>Top_1772</th>\n",
       "      <th>Top_1773</th>\n",
       "      <th>Top_1774</th>\n",
       "      <th>Top_1775</th>\n",
       "      <th>Top_1776</th>\n",
       "      <th>Top_1777</th>\n",
       "      <th>Top_1778</th>\n",
       "      <th>Top_1779</th>\n",
       "      <th>Top_1780</th>\n",
       "      <th>Top_1781</th>\n",
       "      <th>Top_1782</th>\n",
       "      <th>Top_1783</th>\n",
       "      <th>Top_1784</th>\n",
       "      <th>Top_1785</th>\n",
       "      <th>Top_1786</th>\n",
       "      <th>Top_1787</th>\n",
       "      <th>Top_1788</th>\n",
       "      <th>Top_1789</th>\n",
       "      <th>Top_1790</th>\n",
       "      <th>Top_1791</th>\n",
       "      <th>Top_1792</th>\n",
       "      <th>Top_1793</th>\n",
       "      <th>Top_1794</th>\n",
       "      <th>Top_1795</th>\n",
       "      <th>Top_1796</th>\n",
       "      <th>Top_1797</th>\n",
       "      <th>Top_1798</th>\n",
       "      <th>Top_1799</th>\n",
       "      <th>Top_1800</th>\n",
       "      <th>Top_1801</th>\n",
       "      <th>Top_1802</th>\n",
       "      <th>Top_1803</th>\n",
       "      <th>Top_1804</th>\n",
       "      <th>Top_1805</th>\n",
       "      <th>Top_1806</th>\n",
       "      <th>Top_1807</th>\n",
       "      <th>Top_1808</th>\n",
       "      <th>Top_1809</th>\n",
       "      <th>Top_1810</th>\n",
       "      <th>Top_1811</th>\n",
       "      <th>Top_1812</th>\n",
       "      <th>Top_1813</th>\n",
       "      <th>Top_1814</th>\n",
       "      <th>Top_1815</th>\n",
       "      <th>Top_1816</th>\n",
       "      <th>Top_1817</th>\n",
       "      <th>Top_1818</th>\n",
       "      <th>Top_1819</th>\n",
       "      <th>Top_1820</th>\n",
       "      <th>Top_1821</th>\n",
       "      <th>Top_1822</th>\n",
       "      <th>Top_1823</th>\n",
       "      <th>Top_1824</th>\n",
       "      <th>Top_1825</th>\n",
       "      <th>Top_1826</th>\n",
       "      <th>Top_1827</th>\n",
       "      <th>Top_1828</th>\n",
       "      <th>Top_1829</th>\n",
       "      <th>Top_1830</th>\n",
       "      <th>Top_1831</th>\n",
       "      <th>Top_1832</th>\n",
       "      <th>Top_1833</th>\n",
       "      <th>Top_1834</th>\n",
       "      <th>Top_1835</th>\n",
       "      <th>Top_1836</th>\n",
       "      <th>Top_1837</th>\n",
       "      <th>Top_1838</th>\n",
       "      <th>Top_1839</th>\n",
       "      <th>Top_1840</th>\n",
       "      <th>Top_1841</th>\n",
       "      <th>Top_1842</th>\n",
       "      <th>Top_1843</th>\n",
       "      <th>Top_1844</th>\n",
       "      <th>Top_1845</th>\n",
       "      <th>Top_1846</th>\n",
       "      <th>Top_1847</th>\n",
       "      <th>Top_1848</th>\n",
       "      <th>Top_1849</th>\n",
       "      <th>Top_1850</th>\n",
       "      <th>Top_1851</th>\n",
       "      <th>Top_1852</th>\n",
       "      <th>Top_1853</th>\n",
       "      <th>Top_1854</th>\n",
       "      <th>Top_1855</th>\n",
       "      <th>Top_1856</th>\n",
       "      <th>Top_1857</th>\n",
       "      <th>Top_1858</th>\n",
       "      <th>Top_1859</th>\n",
       "      <th>Top_1860</th>\n",
       "      <th>Top_1861</th>\n",
       "      <th>Top_1862</th>\n",
       "      <th>Top_1863</th>\n",
       "      <th>Top_1864</th>\n",
       "      <th>Top_1865</th>\n",
       "      <th>Top_1866</th>\n",
       "      <th>Top_1867</th>\n",
       "      <th>Top_1868</th>\n",
       "      <th>Top_1869</th>\n",
       "      <th>Top_1870</th>\n",
       "      <th>Top_1871</th>\n",
       "      <th>Top_1872</th>\n",
       "      <th>Top_1873</th>\n",
       "      <th>Top_1874</th>\n",
       "      <th>Top_1875</th>\n",
       "      <th>Top_1876</th>\n",
       "      <th>Top_1877</th>\n",
       "      <th>Top_1878</th>\n",
       "      <th>Top_1879</th>\n",
       "      <th>Top_1880</th>\n",
       "      <th>Top_1881</th>\n",
       "      <th>Top_1882</th>\n",
       "      <th>Top_1883</th>\n",
       "      <th>Top_1884</th>\n",
       "      <th>Top_1885</th>\n",
       "      <th>Top_1886</th>\n",
       "      <th>Top_1887</th>\n",
       "      <th>Top_1888</th>\n",
       "      <th>Top_1889</th>\n",
       "      <th>Top_1890</th>\n",
       "      <th>Top_1891</th>\n",
       "      <th>Top_1892</th>\n",
       "      <th>Top_1893</th>\n",
       "      <th>Top_1894</th>\n",
       "      <th>Top_1895</th>\n",
       "      <th>Top_1896</th>\n",
       "      <th>Top_1897</th>\n",
       "      <th>Top_1898</th>\n",
       "      <th>Top_1899</th>\n",
       "      <th>Top_1900</th>\n",
       "      <th>Top_1901</th>\n",
       "      <th>Top_1902</th>\n",
       "      <th>Top_1903</th>\n",
       "      <th>Top_1904</th>\n",
       "      <th>Top_1905</th>\n",
       "      <th>Top_1906</th>\n",
       "      <th>Top_1907</th>\n",
       "      <th>Top_1908</th>\n",
       "      <th>Top_1909</th>\n",
       "      <th>Top_1910</th>\n",
       "      <th>Top_1911</th>\n",
       "      <th>Top_1912</th>\n",
       "      <th>Top_1913</th>\n",
       "      <th>Top_1914</th>\n",
       "      <th>Top_1915</th>\n",
       "      <th>Top_1916</th>\n",
       "      <th>Top_1917</th>\n",
       "      <th>Top_1918</th>\n",
       "      <th>Top_1919</th>\n",
       "      <th>Top_1920</th>\n",
       "      <th>Top_1921</th>\n",
       "      <th>Top_1922</th>\n",
       "      <th>Top_1923</th>\n",
       "      <th>Top_1924</th>\n",
       "      <th>Top_1925</th>\n",
       "      <th>Top_1926</th>\n",
       "      <th>Top_1927</th>\n",
       "      <th>Top_1928</th>\n",
       "      <th>Top_1929</th>\n",
       "      <th>Top_1930</th>\n",
       "      <th>Top_1931</th>\n",
       "      <th>Top_1932</th>\n",
       "      <th>Top_1933</th>\n",
       "      <th>Top_1934</th>\n",
       "      <th>Top_1935</th>\n",
       "      <th>Top_1936</th>\n",
       "      <th>Top_1937</th>\n",
       "      <th>Top_1938</th>\n",
       "      <th>Top_1939</th>\n",
       "      <th>Top_1940</th>\n",
       "      <th>Top_1941</th>\n",
       "      <th>Top_1942</th>\n",
       "      <th>Top_1943</th>\n",
       "      <th>Top_1944</th>\n",
       "      <th>Top_1945</th>\n",
       "      <th>Top_1946</th>\n",
       "      <th>Top_1947</th>\n",
       "      <th>Top_1948</th>\n",
       "      <th>Top_1949</th>\n",
       "      <th>Top_1950</th>\n",
       "      <th>Top_1951</th>\n",
       "      <th>Top_1952</th>\n",
       "      <th>Top_1953</th>\n",
       "      <th>Top_1954</th>\n",
       "      <th>Top_1955</th>\n",
       "      <th>Top_1956</th>\n",
       "      <th>Top_1957</th>\n",
       "      <th>Top_1958</th>\n",
       "      <th>Top_1959</th>\n",
       "      <th>Top_1960</th>\n",
       "      <th>Top_1961</th>\n",
       "      <th>Top_1962</th>\n",
       "      <th>Top_1963</th>\n",
       "      <th>Top_1964</th>\n",
       "      <th>Top_1965</th>\n",
       "      <th>Top_1966</th>\n",
       "      <th>Top_1967</th>\n",
       "      <th>Top_1968</th>\n",
       "      <th>Top_1969</th>\n",
       "      <th>Top_1970</th>\n",
       "      <th>Top_1971</th>\n",
       "      <th>Top_1972</th>\n",
       "      <th>Top_1973</th>\n",
       "      <th>Top_1974</th>\n",
       "      <th>Top_1975</th>\n",
       "      <th>Top_1976</th>\n",
       "      <th>Top_1977</th>\n",
       "      <th>Top_1978</th>\n",
       "      <th>Top_1979</th>\n",
       "      <th>Top_1980</th>\n",
       "      <th>Top_1981</th>\n",
       "      <th>Top_1982</th>\n",
       "      <th>Top_1983</th>\n",
       "      <th>Top_1984</th>\n",
       "      <th>Top_1985</th>\n",
       "      <th>Top_1986</th>\n",
       "      <th>Top_1987</th>\n",
       "      <th>Top_1988</th>\n",
       "      <th>Top_1989</th>\n",
       "      <th>Top_1990</th>\n",
       "      <th>Top_1991</th>\n",
       "      <th>Top_1992</th>\n",
       "      <th>Top_1993</th>\n",
       "      <th>Top_1994</th>\n",
       "      <th>Top_1995</th>\n",
       "      <th>Top_1996</th>\n",
       "      <th>Top_1997</th>\n",
       "      <th>Top_1998</th>\n",
       "      <th>Top_1999</th>\n",
       "      <th>Top_2000</th>\n",
       "      <th>Top_2001</th>\n",
       "      <th>Top_2002</th>\n",
       "      <th>Top_2003</th>\n",
       "      <th>Top_2004</th>\n",
       "      <th>Top_2005</th>\n",
       "      <th>Top_2006</th>\n",
       "      <th>Top_2007</th>\n",
       "      <th>Top_2008</th>\n",
       "      <th>Top_2009</th>\n",
       "      <th>Top_2010</th>\n",
       "      <th>Top_2011</th>\n",
       "      <th>Top_2012</th>\n",
       "      <th>Top_2013</th>\n",
       "      <th>Top_2014</th>\n",
       "      <th>Top_2015</th>\n",
       "      <th>Top_2016</th>\n",
       "      <th>Top_2017</th>\n",
       "      <th>Top_2018</th>\n",
       "      <th>Top_2019</th>\n",
       "      <th>Top_2020</th>\n",
       "      <th>Top_2021</th>\n",
       "      <th>Top_2022</th>\n",
       "      <th>Top_2023</th>\n",
       "      <th>Top_2024</th>\n",
       "      <th>Top_2025</th>\n",
       "      <th>Top_2026</th>\n",
       "      <th>Top_2027</th>\n",
       "      <th>Top_2028</th>\n",
       "      <th>Top_2029</th>\n",
       "      <th>Top_2030</th>\n",
       "      <th>Top_2031</th>\n",
       "      <th>Top_2032</th>\n",
       "      <th>Top_2033</th>\n",
       "      <th>Top_2034</th>\n",
       "      <th>Top_2035</th>\n",
       "      <th>Top_2036</th>\n",
       "      <th>Top_2037</th>\n",
       "      <th>Top_2038</th>\n",
       "      <th>Top_2039</th>\n",
       "      <th>Top_2040</th>\n",
       "      <th>Top_2041</th>\n",
       "      <th>Top_2042</th>\n",
       "      <th>Top_2043</th>\n",
       "      <th>Top_2044</th>\n",
       "      <th>Top_2045</th>\n",
       "      <th>Top_2046</th>\n",
       "      <th>Top_2047</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>BRD-A60245366</th>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>0.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
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       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
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0.0       1.0       0.0       0.0       0.0       0.0       0.0       1.0       0.0       0.0       0.0       0.0       0.0       0.0       0.0       0.0       1.0       0.0       0.0       0.0       0.0       0.0       0.0       1.0       0.0       0.0       0.0       0.0       0.0       0.0       0.0       0.0       0.0       1.0       0.0       0.0       0.0       0.0       0.0       0.0"
      ]
     },
     "execution_count": 105,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "top_df.head(2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 106,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(5435, 2048)"
      ]
     },
     "execution_count": 106,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "top_df.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 107,
   "metadata": {},
   "outputs": [],
   "source": [
    "filename = 'Output/Topological_BMatrix_map_%s.tsv.zip'% str(datetime.date.today())[0:7].replace('-', '_')\n",
    "top_df.to_csv(filename, sep='\\t', compression='gzip')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Topological Torsion Fingerprints"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 108,
   "metadata": {},
   "outputs": [],
   "source": [
    "topt_fps = [rdMolDescriptors.GetHashedTopologicalTorsionFingerprintAsBitVect(x) for x in df['Molecule']]\n",
    "\n",
    "topt_np_fps = []\n",
    "for fp in topt_fps:\n",
    "    arr = np.zeros((1,))\n",
    "    DataStructs.ConvertToNumpyArray(fp, arr)\n",
    "    topt_np_fps.append(arr)\n",
    "\n",
    "topt_df = pd.DataFrame(topt_np_fps, index = all_drugs)\n",
    "\n",
    "column_labels = []\n",
    "for col in topt_df.columns:\n",
    "    column_labels.append('Topt_' + str(col))\n",
    "topt_df.columns = column_labels\n",
    "\n",
    "filename = 'Output/TopologicalTorsion_BMatrix_map_%s.tsv.zip'% str(datetime.date.today())[0:7].replace('-', '_')\n",
    "topt_df.to_csv(filename, sep='\\t', compression='gzip')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## RDK Fingerprint"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 111,
   "metadata": {},
   "outputs": [],
   "source": [
    "#Change maxPath as needed\n",
    "rdkf_fps = [Chem.RDKFingerprint(x,maxPath=2) for x in df['Molecule']]\n",
    "\n",
    "rdkf_np_fps = []\n",
    "for fp in rdkf_fps:\n",
    "    arr = np.zeros((1,))\n",
    "    DataStructs.ConvertToNumpyArray(fp, arr)\n",
    "    rdkf_np_fps.append(arr)\n",
    "\n",
    "rdkf_df = pd.DataFrame(rdkf_np_fps, index = all_drugs)\n",
    "\n",
    "column_labels = []\n",
    "for col in rdkf_df.columns:\n",
    "    column_labels.append('RDKf2_' + str(col))\n",
    "rdkf_df.columns = column_labels\n",
    "\n",
    "filename = 'Output/RDKfps2_BMatrix_map_%s.tsv.zip'% str(datetime.date.today())[0:7].replace('-', '_')\n",
    "rdkf_df.to_csv(filename, sep='\\t', compression='gzip')"
   ]
  }
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