annotate CADDSuite-1.5/data/QSAR/atomic_electron_affinities.data @ 15:ac342506cd4e draft

CADDSuite version 1.5
author Marcel Schumann <schumann.marcel@gmail.com>
date Tue, 24 Jul 2012 11:08:49 -0400
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1 # atomic electron affinities, taken from CRC Handbook of Chemistry and Physics, 79th edition, 1998; non-excistant values like unstable ions have 0.0
ac342506cd4e CADDSuite version 1.5
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2 0.754593
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Marcel Schumann <schumann.marcel@gmail.com>
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3 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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4 0.6180
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Marcel Schumann <schumann.marcel@gmail.com>
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5 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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6 0.277
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Marcel Schumann <schumann.marcel@gmail.com>
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7 1.2629
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Marcel Schumann <schumann.marcel@gmail.com>
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8 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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9 1.4611103
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Marcel Schumann <schumann.marcel@gmail.com>
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10 3.401190
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11 0.0
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12 0.547926
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13 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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14 0.441
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Marcel Schumann <schumann.marcel@gmail.com>
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15 1.385
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16 0.7465
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17 2.077104
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18 3.61269
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Marcel Schumann <schumann.marcel@gmail.com>
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19 0.0
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20 0.50147
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21 0.02455
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Marcel Schumann <schumann.marcel@gmail.com>
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22 0.188
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Marcel Schumann <schumann.marcel@gmail.com>
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23 0.079
ac342506cd4e CADDSuite version 1.5
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24 0.525
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25 0.666
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26 0.0
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27 0.151
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28 0.662
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29 1.156
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30 1.235
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Marcel Schumann <schumann.marcel@gmail.com>
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31 0.0
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32 0.3
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33 1.233
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34 0.81
ac342506cd4e CADDSuite version 1.5
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35 2.020670
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36 3.363590
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37 0.0
ac342506cd4e CADDSuite version 1.5
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38 0.48592
ac342506cd4e CADDSuite version 1.5
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39 0.048
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40 0.307
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41 0.426
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42 0.893
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43 0.748
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44 0.55
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45 1.05
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46 1.137
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47 0.562
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48 1.302
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49 0.0
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50 0.3
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51 1.112
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52 1.046
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53 1.9708
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54 3.059038
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55 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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56 0.471626
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Marcel Schumann <schumann.marcel@gmail.com>
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57 0.15
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58 0.5
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59 0.0
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60 0.0
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61 0.0
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62 0.0
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63 0.0
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66 0.0
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67 0.0
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68 0.0
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69 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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72 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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73 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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74 0.322
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Marcel Schumann <schumann.marcel@gmail.com>
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75 0.815
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Marcel Schumann <schumann.marcel@gmail.com>
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76 0.15
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Marcel Schumann <schumann.marcel@gmail.com>
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77 1.1
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78 1.5638
ac342506cd4e CADDSuite version 1.5
Marcel Schumann <schumann.marcel@gmail.com>
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79 2.128
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Marcel Schumann <schumann.marcel@gmail.com>
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80 2.30863
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Marcel Schumann <schumann.marcel@gmail.com>
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81 0.0
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Marcel Schumann <schumann.marcel@gmail.com>
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82 0.2
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Marcel Schumann <schumann.marcel@gmail.com>
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83 0.364
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Marcel Schumann <schumann.marcel@gmail.com>
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84 0.946
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85 1.9
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Marcel Schumann <schumann.marcel@gmail.com>
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86 2.8
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Marcel Schumann <schumann.marcel@gmail.com>
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87 0.0
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88 0.46