0 B9R0.45 C#CCCCCNCCO 2230a_100000706060_100000211926 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.45 C#CCCCCNCCO 2230a_100016997473_100010269958 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.45 C#CCCCCNCCO 34a_100000706060_100000211926 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 C#CCCCCNCCO 34a_100016990907_100010269958 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.45 C#CCCCCOCCBr 34a_100000211926_100010269958 [0,0,0,0,0,0|3,0,1]=4 5 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.45 C#CCCCCOCCF 34a_100000766709_100011217306 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.45 C#CCCCCOCCF 7a_100000766709_100011217306 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.45 C#CCCCCOCCN 34a_100000210304_100010269958 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.45 C#CCCCCOCCO 34a_100000766709_100000211926 [0,0,0,0,0,0|2,0,1]=3 12 B9R0.45 C#CCCCCOCCO 7a_100000766709_100000211926 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.45 C#CCCCCSCCO 62a_100000211926_100010269958 [0,0,0,0,0,0|2,1,1]=4 14 B9R0.45 C#CCCCCSCCO 62a_100010269958_100000211926 [0,0,0,0,0,0|2,1,1]=4 15 B9R0.45 C#CCNCCCCCO 2230a_100000762737_100000038162 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.45 C#CCNCCCCCO 34a_100000212058_100000746330 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.45 C#CCNCCCCCO 34a_100000762737_100000184674 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.45 C#CCNCCOCCC 2230a_100161115042_100000038162 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.45 C#CCNCCOCCC 34a_100000212058_100011215938 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.45 C#CCNCCOCCC 34a_100161115042_100000184674 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.45 C#CCNCCOCCO 2230a_100000211614_100000038162 [0,0,0,0,0,0|2,0,1]=3 22 B9R0.45 C#CCNCCOCCO 34a_100000211614_100000184674 [0,0,0,0,0,0|2,0,1]=3 23 B9R0.45 C#CCNCCOCCO 34a_100000212058_100000692535 [0,0,0,0,0,0|2,0,1]=3 24 B9R0.45 C#CCNCCSCCO 2230a_100011219999_100000038162 [0,0,0,0,0,0|2,1,1]=4 25 B9R0.45 C#CCOCCCCCBr 34a_100000746331_100000184674 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.45 C#CCOCCCCCBr 7a_100000746331_100000038162 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [0,0,0,0,0,0|3,0,1]=4 29 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.45 C#CCOCCCCCCl 34a_100000746330_100000184674 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.45 C#CCOCCCCCCl 7a_100000746330_100000038162 [0,0,0,0,0,0|3,0,1]=4 32 B9R0.45 C#CCOCCCCCF 34a_100000210247_100000729378 [0,0,0,0,0,0|3,0,1]=4 33 B9R0.45 C#CCOCCCCCI 34a_200012148887_100000184674 [0,0,0,0,0,0|3,0,1]=4 34 B9R0.45 C#CCOCCCCCI 7a_200012148887_100000038162 [0,0,0,0,0,0|3,0,1]=4 35 B9R0.45 C#CCOCCCCCN 34a_100000762737_100000184674 [0,0,0,0,0,0|3,0,1]=4 36 B9R0.45 C#CCOCCCCCO 34a_100000210247_100000746330 [0,0,0,0,0,0|2,0,1]=3 37 B9R0.45 C#CCOCCNCCC 2230a_100000700922_100000210303 [0,0,0,0,0,0|3,0,1]=4 38 B9R0.45 C#CCOCCNCCC 34a_100000700922_100000210303 [0,0,0,0,0,0|3,0,1]=4 39 B9R0.45 C#CCOCCNCCF 2230a_100000700922_100011217306 [0,0,0,0,0,0|3,0,1]=4 40 B9R0.45 C#CCOCCNCCF 34a_100000700922_100011217306 [0,0,0,0,0,0|3,0,1]=4 41 B9R0.45 C#CCOCCNCCF 34a_100000724931_100010402529 [0,0,0,0,0,0|3,0,1]=4 42 B9R0.45 C#CCOCCNCCO 2230a_100000700922_100000211926 [0,0,0,0,0,0|2,0,1]=3 43 B9R0.45 C#CCOCCNCCO 2230a_100016997473_100010402529 [0,0,0,0,0,0|2,0,1]=3 44 B9R0.45 C#CCOCCNCCO 34a_100000700922_100000211926 [0,0,0,0,0,0|2,0,1]=3 45 B9R0.45 C#CCOCCNCCO 34a_100016990907_100010402529 [0,0,0,0,0,0|2,0,1]=3 46 B9R0.45 C#CCOCCOCC#C 34a_100000054580_100000184674 [0,0,0,0,0,0|2,0,2]=4 47 B9R0.45 C#CCOCCOCC#C 34a_100000210247_100010402529 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.45 C#CCOCCOCC#C 7a_100000054580_100000038162 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.45 C#CCOCCOCC#N 7a_100000054580_100011215382 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.45 C#CCOCCOCC=C 34a_100000037705_100000184674 [0,0,0,0,0,0|2,0,2]=4 51 B9R0.45 C#CCOCCOCC=C 34a_100000054580_100015514636 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.45 C#CCOCCOCC=C 34a_200000210373_100010402529 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.45 C#CCOCCOCC=C 7a_100000037705_100000038162 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.45 C#CCOCCOCC=C 7a_100000054580_100015514636 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.45 C#CCOCCOCC=O 34a_100000054580_200009817547 [0,0,0,0,0,0|1,0,3]=4 56 B9R0.45 C#CCOCCOCC=O 7a_100000054580_200015260668 [0,0,0,0,0,0|1,0,3]=4 57 B9R0.45 C#CCOCCOCCBr 34a_100000211926_100010402529 [0,0,0,0,0,0|2,0,1]=3 58 B9R0.45 C#CCOCCOCCBr 34a_100000692535_100000184674 [0,0,0,0,0,0|2,0,1]=3 59 B9R0.45 C#CCOCCOCCBr 7a_100000692535_100000038162 [0,0,0,0,0,0|2,0,1]=3 60 B9R0.45 C#CCOCCOCCC 34a_100000054580_100000210303 [0,0,0,0,0,0|2,0,1]=3 61 B9R0.45 C#CCOCCOCCC 34a_100000210247_100011215938 [0,0,0,0,0,0|2,0,1]=3 62 B9R0.45 C#CCOCCOCCC 34a_100000210258_100010402529 [0,0,0,0,0,0|2,0,1]=3 63 B9R0.45 C#CCOCCOCCC 34a_100000752267_100000184674 [0,0,0,0,0,0|2,0,1]=3 64 B9R0.45 C#CCOCCOCCC 7a_100000054580_100000210303 [0,0,0,0,0,0|2,0,1]=3 65 B9R0.45 C#CCOCCOCCC 7a_100000752267_100000038162 [0,0,0,0,0,0|2,0,1]=3 66 B9R0.45 C#CCOCCOCCCl 34a_100011215305_100000184674 [0,0,0,0,0,0|2,0,1]=3 67 B9R0.45 C#CCOCCOCCCl 7a_100011215305_100000038162 [0,0,0,0,0,0|2,0,1]=3 68 B9R0.45 C#CCOCCOCCF 34a_100000054580_100011217306 [0,0,0,0,0,0|2,0,1]=3 69 B9R0.45 C#CCOCCOCCF 34a_200015357709_100000184674 [0,0,0,0,0,0|2,0,1]=3 70 B9R0.45 C#CCOCCOCCF 7a_100000054580_100011217306 [0,0,0,0,0,0|2,0,1]=3 71 B9R0.45 C#CCOCCOCCF 7a_200015357709_100000038162 [0,0,0,0,0,0|2,0,1]=3 72 B9R0.45 C#CCOCCOCCI 34a_100012149058_100000184674 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.45 C#CCOCCOCCI 7a_100012149058_100000038162 [0,0,0,0,0,0|2,0,1]=3 74 B9R0.45 C#CCOCCOCCN 34a_100000210304_100010402529 [0,0,0,0,0,0|2,0,1]=3 75 B9R0.45 C#CCOCCOCCN 34a_100000211614_100000184674 [0,0,0,0,0,0|2,0,1]=3 76 B9R0.45 C#CCOCCOCCO 34a_100000054580_100000211926 [0,0,0,0,0,0|1,0,1]=2 77 B9R0.45 C#CCOCCOCCO 34a_100000210247_100000692535 [0,0,0,0,0,0|1,0,1]=2 78 B9R0.45 C#CCOCCOCCO 7a_100000054580_100000211926 [0,0,0,0,0,0|1,0,1]=2 79 B9R0.45 C#CCOCCOCSC 34a_100000054580_100011218213 [0,0,0,0,0,0|3,0,1]=4 80 B9R0.45 C#CCOCCSCCC 34a_200000230433_100000184674 [0,0,0,0,0,0|2,1,1]=4 81 B9R0.45 C#CCOCCSCCC 62a_100000210303_100010402529 [0,0,0,0,0,0|2,1,1]=4 82 B9R0.45 C#CCOCCSCCC 62a_100010402529_100000210303 [0,0,0,0,0,0|2,1,1]=4 83 B9R0.45 C#CCOCCSCCC 7a_200000230433_100000038162 [0,0,0,0,0,0|2,1,1]=4 84 B9R0.45 C#CCOCCSCCF 62a_100010402529_100011217306 [0,0,0,0,0,0|2,1,1]=4 85 B9R0.45 C#CCOCCSCCF 62a_100011217306_100010402529 [0,0,0,0,0,0|2,1,1]=4 86 B9R0.45 C#CCOCCSCCO 62a_100000211926_100010402529 [0,0,0,0,0,0|1,1,1]=3 87 B9R0.45 C#CCOCCSCCO 62a_100010402529_100000211926 [0,0,0,0,0,0|1,1,1]=3 88 B9R0.45 C#CCSCCCCCO 62a_100000038162_100000746330 [0,0,0,0,0,0|2,1,1]=4 89 B9R0.45 C#CCSCCOCCC 62a_100000038162_100011215938 [0,0,0,0,0,0|2,1,1]=4 90 B9R0.45 C#CCSCCOCCO 62a_100000038162_100011215305 [0,0,0,0,0,0|1,1,1]=3 91 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [0,0,0,0,0,0|3,0,1]=4 92 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [0,0,0,0,0,0|3,0,1]=4 93 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [0,0,0,0,0,0|3,0,1]=4 94 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [0,0,0,0,0,0|3,0,1]=4 95 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [0,0,0,0,0,0|3,0,1]=4 97 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [0,0,0,0,0,0|3,0,1]=4 99 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [0,0,0,0,0,0|3,0,1]=4 100 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [0,0,0,0,0,0|3,0,1]=4 102 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [0,0,0,0,0,0|2,0,1]=3 103 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [0,0,0,0,0,0|2,0,1]=3 104 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [0,0,0,0,0,0|2,1,1]=4 105 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [0,0,0,0,0,0|2,1,1]=4 106 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [0,0,0,0,0,0|3,0,1]=4 107 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [0,0,0,0,0,0|3,0,1]=4 108 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [0,0,0,0,0,0|3,0,1]=4 109 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [0,0,0,0,0,0|3,0,1]=4 110 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [0,0,0,0,0,0|3,0,1]=4 112 B9R0.45 C=CCNCCOCCO 2230a_100000211614_100000210623 [0,0,0,0,0,0|2,0,1]=3 113 B9R0.45 C=CCNCCOCCO 2230a_100020586998_100011215305 [0,0,0,0,0,0|2,0,1]=3 114 B9R0.45 C=CCNCCOCCO 34a_100000211614_100015514636 [0,0,0,0,0,0|2,0,1]=3 115 B9R0.45 C=CCNCCSCCO 2230a_100011219999_100000210623 [0,0,0,0,0,0|2,1,1]=4 116 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [0,0,0,0,0,0|3,0,1]=4 117 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [0,0,0,0,0,0|3,0,1]=4 120 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [0,0,0,0,0,0|3,0,1]=4 121 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [0,0,0,0,0,0|3,0,1]=4 124 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [0,0,0,0,0,0|3,0,1]=4 126 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [0,0,0,0,0,0|3,0,1]=4 127 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [0,0,0,0,0,0|2,0,1]=3 128 B9R0.45 C=CCOCCOCC#N 7a_100000037705_100011215382 [0,0,0,0,0,0|2,0,2]=4 129 B9R0.45 C=CCOCCOCC=C 34a_100000037705_100015514636 [0,0,0,0,0,0|2,0,2]=4 130 B9R0.45 C=CCOCCOCC=C 7a_100000037705_100015514636 [0,0,0,0,0,0|2,0,2]=4 131 B9R0.45 C=CCOCCOCC=O 34a_100000037705_200009817547 [0,0,0,0,0,0|1,0,3]=4 132 B9R0.45 C=CCOCCOCC=O 7a_100000037705_200015260668 [0,0,0,0,0,0|1,0,3]=4 133 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [0,0,0,0,0,0|2,0,1]=3 134 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [0,0,0,0,0,0|2,0,1]=3 135 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [0,0,0,0,0,0|2,0,1]=3 136 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [0,0,0,0,0,0|2,0,1]=3 137 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [0,0,0,0,0,0|2,0,1]=3 138 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [0,0,0,0,0,0|2,0,1]=3 139 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [0,0,0,0,0,0|2,0,1]=3 140 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [0,0,0,0,0,0|2,0,1]=3 141 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [0,0,0,0,0,0|2,0,1]=3 142 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [0,0,0,0,0,0|2,0,1]=3 143 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [0,0,0,0,0,0|2,0,1]=3 144 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [0,0,0,0,0,0|2,0,1]=3 145 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [0,0,0,0,0,0|2,0,1]=3 146 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [0,0,0,0,0,0|2,0,1]=3 147 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [0,0,0,0,0,0|2,0,1]=3 148 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [0,0,0,0,0,0|2,0,1]=3 149 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [0,0,0,0,0,0|1,0,1]=2 150 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [0,0,0,0,0,0|1,0,1]=2 151 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [0,0,0,0,0,0|1,0,1]=2 152 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [0,0,0,0,0,0|2,1,1]=4 154 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [0,0,0,0,0,0|2,1,1]=4 155 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [0,0,0,0,0,0|2,1,1]=4 156 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [0,0,0,0,0,0|2,1,1]=4 157 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [0,0,0,0,0,0|2,1,1]=4 158 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [0,0,0,0,0,0|2,1,1]=4 159 B9R0.45 C=CCSCCOCCO 62a_100000210623_100011215305 [0,0,0,0,0,0|1,1,1]=3 160 B9R0.45 C=CCSCCOCCO 62a_100011215305_100000210623 [0,0,0,0,0,0|1,1,1]=3 161 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [0,0,0,0,0,0|3,0,1]=4 162 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [0,0,0,0,0,0|3,0,1]=4 163 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [0,0,0,0,0,0|3,0,1]=4 164 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [0,0,0,0,0,0|3,0,1]=4 165 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [0,0,0,0,0,0|3,0,1]=4 166 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [0,0,0,0,0,0|3,0,1]=4 168 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [0,0,0,0,0,0|3,0,1]=4 169 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [0,0,0,0,0,0|2,0,1]=3 171 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [0,0,0,0,0,0|2,0,1]=3 172 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [0,0,0,0,0,0|2,1,1]=4 173 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [0,0,0,0,0,0|2,1,1]=4 174 B9R0.45 CC=C=CCCOCCO 34a_100011020354_100000211926 [0,0,0,0,0,0|2,0,2]=4 175 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [0,0,0,0,0,0|2,0,2]=4 176 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [0,0,0,0,0,0|3,0,1]=4 177 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [0,0,0,0,0,0|3,0,1]=4 178 B9R0.45 CCC#CCCOCCF 34a_100000036655_100011217306 [0,0,0,0,0,0|3,0,1]=4 179 B9R0.45 CCC#CCCOCCF 7a_100000036655_100011217306 [0,0,0,0,0,0|3,0,1]=4 180 B9R0.45 CCC#CCCOCCO 34a_100000036655_100000211926 [0,0,0,0,0,0|2,0,1]=3 181 B9R0.45 CCC#CCCOCCO 7a_100000036655_100000211926 [0,0,0,0,0,0|2,0,1]=3 182 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [0,0,0,0,0,0|3,0,1]=4 183 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [0,0,0,0,0,0|3,0,1]=4 184 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [0,0,0,0,0,0|3,0,1]=4 185 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [0,0,0,0,0,0|3,0,1]=4 186 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [0,0,0,0,0,0|2,0,1]=3 187 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [0,0,0,0,0,0|2,0,1]=3 188 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [0,0,0,0,0,0|3,0,1]=4 189 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [0,0,0,0,0,0|3,0,1]=4 190 B9R0.45 CCCC#CCOCCF 34a_100000034806_100011217306 [0,0,0,0,0,0|3,0,1]=4 191 B9R0.45 CCCC#CCOCCF 7a_100000034806_100011217306 [0,0,0,0,0,0|3,0,1]=4 192 B9R0.45 CCCC#CCOCCO 34a_100000034806_100000211926 [0,0,0,0,0,0|2,0,1]=3 193 B9R0.45 CCCC#CCOCCO 7a_100000034806_100000211926 [0,0,0,0,0,0|2,0,1]=3 194 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [0,0,0,0,0,0|4,0,0]=4 195 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [0,0,0,0,0,0|4,0,0]=4 196 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [0,0,0,0,0,0|4,0,0]=4 197 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [0,0,0,0,0,0|3,0,0]=3 198 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [0,0,0,0,0,0|3,0,0]=3 199 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [0,0,0,0,0,0|3,0,0]=3 200 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [0,0,0,0,0,0|3,0,1]=4 201 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [0,0,0,0,0,0|2,0,2]=4 202 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [0,0,0,0,0,0|2,0,2]=4 203 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [0,0,0,0,0,0|3,0,0]=3 204 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [0,0,0,0,0,0|3,0,0]=3 205 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [0,0,0,0,0,0|3,0,0]=3 206 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [0,0,0,0,0,0|3,0,0]=3 207 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [0,0,0,0,0,0|3,0,0]=3 208 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [0,0,0,0,0,0|3,0,0]=3 209 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [0,0,0,0,0,0|3,0,0]=3 210 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [0,0,0,0,0,0|2,0,0]=2 211 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [0,0,0,0,0,0|2,0,0]=2 212 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [0,0,0,0,0,0|4,0,0]=4 213 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [0,0,0,0,0,0|3,1,0]=4 214 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [0,0,0,0,0,0|3,1,0]=4 215 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [0,0,0,0,0,0|3,1,0]=4 216 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [0,0,0,0,0,0|3,1,0]=4 217 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [0,0,0,0,0,0|2,1,0]=3 218 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [0,0,0,0,0,0|2,1,0]=3 219 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [0,0,0,0,0,0|4,0,0]=4 220 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [0,0,0,0,0,0|4,0,0]=4 221 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [0,0,0,0,0,0|4,0,0]=4 222 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [0,0,0,0,0,0|4,0,0]=4 223 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [0,0,0,0,0,0|4,0,0]=4 224 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [0,0,0,0,0,0|4,0,0]=4 225 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [0,0,0,0,0,0|4,0,0]=4 226 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [0,0,0,0,0,0|4,0,0]=4 227 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [0,0,0,0,0,0|4,0,0]=4 228 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [0,0,0,0,0,0|4,0,0]=4 229 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [0,0,0,0,0,0|4,0,0]=4 230 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [0,0,0,0,0,0|4,0,0]=4 231 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [0,0,0,0,0,0|4,0,0]=4 232 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [0,0,0,0,0,0|4,0,0]=4 233 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [0,0,0,0,0,0|4,0,0]=4 234 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [0,0,0,0,0,0|4,0,0]=4 235 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [0,0,0,0,0,0|3,1,0]=4 236 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [0,0,0,0,0,0|3,1,0]=4 237 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [0,0,0,0,0,0|4,0,0]=4 238 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [0,0,0,0,0,0|4,0,0]=4 239 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [0,0,0,0,0,0|3,0,0]=3 240 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [0,0,0,0,0,0|3,0,0]=3 241 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [0,0,0,0,0,0|3,0,0]=3 242 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [0,0,0,0,0,0|3,0,0]=3 243 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [0,0,0,0,0,0|2,0,0]=2 244 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [0,0,0,0,0,0|2,0,0]=2 245 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [0,0,0,0,0,0|3,1,0]=4 246 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [0,0,0,0,0,0|2,1,0]=3 247 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [0,0,0,0,0,0|3,0,0]=3 248 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [0,0,0,0,0,0|3,0,0]=3 249 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [0,0,0,0,0,0|3,0,0]=3 250 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [0,0,0,0,0,0|3,0,0]=3 251 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [0,0,0,0,0,0|3,0,0]=3 252 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [0,0,0,0,0,0|3,0,0]=3 253 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [0,0,0,0,0,0|3,0,0]=3 254 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [0,0,0,0,0,0|3,0,0]=3 255 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [0,0,0,0,0,0|2,0,0]=2 256 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [0,0,0,0,0,0|4,0,0]=4 257 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [0,0,0,0,0,0|4,0,0]=4 258 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [0,0,0,0,0,0|4,0,0]=4 259 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [0,0,0,0,0,0|4,0,0]=4 260 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [0,0,0,0,0,0|4,0,0]=4 261 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [0,0,0,0,0,0|4,0,0]=4 262 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [0,0,0,0,0,0|4,0,0]=4 263 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [0,0,0,0,0,0|4,0,0]=4 264 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [0,0,0,0,0,0|4,0,0]=4 265 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [0,0,0,0,0,0|4,0,0]=4 266 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [0,0,0,0,0,0|4,0,0]=4 267 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [0,0,0,0,0,0|4,0,0]=4 268 B9R0.45 CCCOCCNCC#N 2230a_100161115042_100011215382 [0,0,0,0,0,0|3,0,1]=4 269 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [0,0,0,0,0,0|2,0,2]=4 270 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [0,0,0,0,0,0|2,0,2]=4 271 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [0,0,0,0,0,0|3,0,0]=3 272 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [0,0,0,0,0,0|3,0,0]=3 273 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [0,0,0,0,0,0|3,0,0]=3 274 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [0,0,0,0,0,0|2,0,0]=2 275 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [0,0,0,0,0,0|2,0,0]=2 276 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [0,0,0,0,0,0|2,0,0]=2 277 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [0,0,0,0,0,0|2,0,0]=2 278 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [0,0,0,0,0,0|4,0,0]=4 279 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [0,0,0,0,0,0|4,0,0]=4 280 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [0,0,0,0,0,0|4,0,0]=4 281 B9R0.45 CCCOCCOCC#N 7a_100000752267_100011215382 [0,0,0,0,0,0|2,0,1]=3 282 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [0,0,0,0,0,0|1,0,2]=3 283 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [0,0,0,0,0,0|1,0,2]=3 284 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [0,0,0,0,0,0|2,0,0]=2 285 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [0,0,0,0,0,0|2,0,0]=2 286 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [0,0,0,0,0,0|2,0,0]=2 287 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [0,0,0,0,0,0|2,0,0]=2 288 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [0,0,0,0,0,0|2,0,0]=2 289 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [0,0,0,0,0,0|2,0,0]=2 290 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [0,0,0,0,0,0|2,0,0]=2 291 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [0,0,0,0,0,0|2,0,0]=2 292 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [0,0,0,0,0,0|2,0,0]=2 293 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [0,0,0,0,0,0|2,0,0]=2 294 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [0,0,0,0,0,0|2,0,0]=2 295 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [0,0,0,0,0,0|2,0,0]=2 296 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [0,0,0,0,0,0|2,0,0]=2 297 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [0,0,0,0,0,0|2,0,0]=2 298 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [0,0,0,0,0,0|2,0,0]=2 299 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [0,0,0,0,0,0|2,0,0]=2 300 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [0,0,0,0,0,0|1,0,0]=1 301 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [0,0,0,0,0,0|1,0,0]=1 302 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [0,0,0,0,0,0|1,0,0]=1 303 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [0,0,0,0,0,0|3,0,0]=3 304 B9R0.45 CCCOCCSCC#N 62a_100011215382_100011215938 [0,0,0,0,0,0|2,1,1]=4 305 B9R0.45 CCCOCCSCC#N 62a_100011215938_100011215382 [0,0,0,0,0,0|2,1,1]=4 306 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [0,0,0,0,0,0|1,1,2]=4 307 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [0,0,0,0,0,0|1,1,2]=4 308 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [0,0,0,0,0,0|2,1,0]=3 309 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [0,0,0,0,0,0|2,1,0]=3 310 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [0,0,0,0,0,0|2,1,0]=3 311 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [0,0,0,0,0,0|2,1,0]=3 312 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [0,0,0,0,0,0|2,1,0]=3 313 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [0,0,0,0,0,0|2,1,0]=3 314 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [0,0,0,0,0,0|1,1,0]=2 315 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [0,0,0,0,0,0|1,1,0]=2 316 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [0,0,0,0,0,0|3,1,0]=4 317 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [0,0,0,0,0,0|3,1,0]=4 318 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [0,0,0,0,0,0|3,1,0]=4 319 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [0,0,0,0,0,0|3,1,0]=4 320 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [0,0,0,0,0,0|3,1,0]=4 321 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [0,0,0,0,0,0|3,1,0]=4 322 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [0,0,0,0,0,0|2,1,0]=3 323 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [0,0,0,0,0,0|2,1,0]=3 324 B9R0.45 CCCSCCNCCF 2230a_100020603323_100011217306 [0,0,0,0,0,0|3,1,0]=4 325 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [0,0,0,0,0,0|2,1,0]=3 326 B9R0.45 CCCSCCOCC#N 62a_100000210303_200000047693 [0,0,0,0,0,0|2,1,1]=4 327 B9R0.45 CCCSCCOCC#N 62a_200000047693_100000210303 [0,0,0,0,0,0|2,1,1]=4 328 B9R0.45 CCCSCCOCC#N 7a_200000230433_100011215382 [0,0,0,0,0,0|2,1,1]=4 329 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [0,0,0,0,0,0|1,1,2]=4 330 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [0,0,0,0,0,0|1,1,2]=4 331 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [0,0,0,0,0,0|2,1,0]=3 332 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [0,0,0,0,0,0|2,1,0]=3 333 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [0,0,0,0,0,0|1,1,0]=2 334 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [0,0,0,0,0,0|1,1,0]=2 335 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [0,0,0,0,0,0|1,1,0]=2 336 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [0,0,0,0,0,0|1,1,0]=2 337 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [0,0,0,0,0,0|3,1,0]=4 338 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [0,0,0,0,0,0|4,0,0]=4 339 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [0,0,0,0,0,0|4,0,0]=4 340 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [0,0,0,0,0,0|4,0,0]=4 341 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [0,0,0,0,0,0|4,0,0]=4 342 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [0,0,0,0,0,0|4,0,0]=4 343 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [0,0,0,0,0,0|4,0,0]=4 344 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [0,0,0,0,0,0|4,0,0]=4 345 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [0,0,0,0,0,0|4,0,0]=4 346 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [0,0,0,0,0,0|4,0,0]=4 347 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [0,0,0,0,0,0|4,0,0]=4 348 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [0,0,0,0,0,0|4,0,0]=4 349 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [0,0,0,0,0,0|4,0,0]=4 350 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [0,0,0,0,0,0|3,0,0]=3 351 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [0,0,0,0,0,0|3,0,0]=3 352 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [0,0,0,0,0,0|3,1,0]=4 353 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [0,0,0,0,0,0|3,1,0]=4 354 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [0,0,0,0,0,0|4,0,0]=4 355 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [0,0,0,0,0,0|4,0,0]=4 356 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [0,0,0,0,0,0|4,0,0]=4 357 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [0,0,0,0,0,0|4,0,0]=4 358 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [0,0,0,0,0,0|3,0,0]=3 359 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [0,0,0,0,0,0|3,0,0]=3 360 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [0,0,0,0,0,0|4,0,0]=4 361 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [0,0,0,0,0,0|4,0,0]=4 362 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [0,0,0,0,0,0|4,0,0]=4 363 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [0,0,0,0,0,0|4,0,0]=4 364 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [0,0,0,0,0,0|4,0,0]=4 365 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [0,0,0,0,0,0|4,0,0]=4 366 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [0,0,0,0,0,0|4,0,0]=4 367 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [0,0,0,0,0,0|4,0,0]=4 368 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [0,0,0,0,0,0|4,0,0]=4 369 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [0,0,0,0,0,0|4,0,0]=4 370 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [0,0,0,0,0,0|4,0,0]=4 371 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [0,0,0,0,0,0|3,0,0]=3 372 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [0,0,0,0,0,0|3,1,0]=4 373 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [0,0,0,0,0,0|3,1,0]=4 374 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [0,0,0,0,0,0|4,0,0]=4 375 B9R0.45 COCNCCOCCO 2230a_100000211614_100000766300 [0,0,0,0,0,0|3,0,0]=3 376 B9R0.45 COCNCCSCCO 2230a_100011219999_100000766300 [0,0,0,0,0,0|3,1,0]=4 377 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [0,0,0,0,0,0|3,1,0]=4 378 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [0,0,0,0,0,0|3,1,0]=4 379 B9R0.45 COCSCCOCCO 62a_100000766300_100011215305 [0,0,0,0,0,0|2,1,0]=3 380 B9R0.45 COCSCCOCCO 62a_100011215305_100000766300 [0,0,0,0,0,0|2,1,0]=3 381 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [0,0,0,0,0,0|4,0,0]=4 382 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [0,0,0,0,0,0|4,0,0]=4 383 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [0,0,0,0,0,0|4,0,0]=4 384 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [0,0,0,0,0,0|4,0,0]=4 385 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [0,0,0,0,0,0|3,0,0]=3 386 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [0,0,0,0,0,0|3,0,0]=3 387 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [0,0,0,0,0,0|4,0,0]=4 388 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [0,0,0,0,0,0|4,0,0]=4 389 B9R0.45 CSCNCCOCCO 2230a_100000211614_100011218213 [0,0,0,0,0,0|3,0,0]=3 390 B9R0.45 CSCNCCOCCO 34a_100000211614_100011218213 [0,0,0,0,0,0|3,0,0]=3 391 B9R0.45 CSCNCCSCCO 2230a_100011219999_100011218213 [0,0,0,0,0,0|3,1,0]=4 392 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [0,0,0,0,0,0|4,0,0]=4 393 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [0,0,0,0,0,0|4,0,0]=4 394 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [0,0,0,0,0,0|4,0,0]=4 395 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [0,0,0,0,0,0|4,0,0]=4 396 B9R0.45 CSCOCCOCCBr 34a_100000692535_100011218213 [0,0,0,0,0,0|3,0,0]=3 397 B9R0.45 CSCOCCOCCCl 34a_100011215305_100011218213 [0,0,0,0,0,0|3,0,0]=3 398 B9R0.45 CSCOCCOCCF 34a_200015357709_100011218213 [0,0,0,0,0,0|3,0,0]=3 399 B9R0.45 CSCOCCOCCI 34a_100012149058_100011218213 [0,0,0,0,0,0|3,0,0]=3 400 B9R0.45 CSCOCCOCCN 34a_100000211614_100011218213 [0,0,0,0,0,0|3,0,0]=3 401 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [0,0,0,0,0,0|3,1,0]=4 402 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [0,0,0,0,0,0|3,1,0]=4 403 B9R0.45 CSCSCCOCCO 62a_100011215305_100011218213 [0,0,0,0,0,0|2,1,0]=3 404 B9R0.45 CSCSCCOCCO 62a_100011218213_100011215305 [0,0,0,0,0,0|2,1,0]=3 405 B9R0.45 FCCCCCNCCF 34a_100000724931_100000729378 [0,0,0,0,0,0|4,0,0]=4 406 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [0,0,0,0,0,0|3,0,0]=3 407 B9R0.45 FCCCCCSCCF 62a_100000729378_100011217306 [0,0,0,0,0,0|3,1,0]=4 408 B9R0.45 FCCCCCSCCF 62a_100011217306_100000729378 [0,0,0,0,0,0|3,1,0]=4 409 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [0,0,0,0,0,0|3,0,0]=3 410 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [0,0,0,0,0,0|3,0,0]=3 411 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [0,0,0,0,0,0|3,0,0]=3 412 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [0,0,0,0,0,0|3,0,0]=3 413 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [0,0,0,0,0,0|3,0,0]=3 414 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [0,0,0,0,0,0|3,0,0]=3 415 B9R0.45 FCCOCCOCCBr 34a_100000692535_100011217306 [0,0,0,0,0,0|2,0,0]=2 416 B9R0.45 FCCOCCOCCBr 7a_100000692535_100011217306 [0,0,0,0,0,0|2,0,0]=2 417 B9R0.45 FCCOCCOCCCl 34a_100011215305_100011217306 [0,0,0,0,0,0|2,0,0]=2 418 B9R0.45 FCCOCCOCCCl 7a_100011215305_100011217306 [0,0,0,0,0,0|2,0,0]=2 419 B9R0.45 FCCOCCOCCF 34a_200015357709_100011217306 [0,0,0,0,0,0|2,0,0]=2 420 B9R0.45 FCCOCCOCCF 7a_200015357709_100011217306 [0,0,0,0,0,0|2,0,0]=2 421 B9R0.45 FCCOCCOCCI 34a_100012149058_100011217306 [0,0,0,0,0,0|2,0,0]=2 422 B9R0.45 FCCOCCOCCI 7a_100012149058_100011217306 [0,0,0,0,0,0|2,0,0]=2 423 B9R0.45 N#CCCCCNCCO 2230a_100016997473_100000211819 [0,0,0,0,0,0|3,0,1]=4 424 B9R0.45 N#CCCCCSCCO 62a_100000211926_100000211819 [0,0,0,0,0,0|2,1,1]=4 425 B9R0.45 N#CCCCCSCCO 62a_100011219923_100000211926 [0,0,0,0,0,0|2,1,1]=4 426 B9R0.45 N#CCNCCCCCO 2230a_100000762737_100011215382 [0,0,0,0,0,0|3,0,1]=4 427 B9R0.45 N#CCNCCOCCO 2230a_100000211614_100011215382 [0,0,0,0,0,0|2,0,1]=3 428 B9R0.45 N#CCNCCSCCO 2230a_100011219999_100011215382 [0,0,0,0,0,0|2,1,1]=4 429 B9R0.45 N#CCOCCCCCBr 7a_100000746331_100011215382 [0,0,0,0,0,0|3,0,1]=4 430 B9R0.45 N#CCOCCCCCCl 7a_100000746330_100011215382 [0,0,0,0,0,0|3,0,1]=4 431 B9R0.45 N#CCOCCCCCI 7a_200012148887_100011215382 [0,0,0,0,0,0|3,0,1]=4 432 B9R0.45 N#CCOCCNCCO 2230a_100016997473_200000047693 [0,0,0,0,0,0|2,0,1]=3 433 B9R0.45 N#CCOCCOCCBr 7a_100000692535_100011215382 [0,0,0,0,0,0|2,0,1]=3 434 B9R0.45 N#CCOCCOCCCl 7a_100011215305_100011215382 [0,0,0,0,0,0|2,0,1]=3 435 B9R0.45 N#CCOCCOCCF 7a_200015357709_100011215382 [0,0,0,0,0,0|2,0,1]=3 436 B9R0.45 N#CCOCCOCCI 7a_100012149058_100011215382 [0,0,0,0,0,0|2,0,1]=3 437 B9R0.45 N#CCOCCSCCF 62a_100011217306_200000047693 [0,0,0,0,0,0|2,1,1]=4 438 B9R0.45 N#CCOCCSCCF 62a_200000047693_100011217306 [0,0,0,0,0,0|2,1,1]=4 439 B9R0.45 N#CCOCCSCCO 62a_100000211926_200000047693 [0,0,0,0,0,0|1,1,1]=3 440 B9R0.45 N#CCOCCSCCO 62a_200000047693_100000211926 [0,0,0,0,0,0|1,1,1]=3 441 B9R0.45 N#CCSCCCCCO 62a_100000746330_100011215382 [0,0,0,0,0,0|2,1,1]=4 442 B9R0.45 N#CCSCCCCCO 62a_100011215382_100000746330 [0,0,0,0,0,0|2,1,1]=4 443 B9R0.45 N#CCSCCOCCO 62a_100011215305_100011215382 [0,0,0,0,0,0|1,1,1]=3 444 B9R0.45 N#CCSCCOCCO 62a_100011215382_100011215305 [0,0,0,0,0,0|1,1,1]=3 445 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,2]=4 446 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|3,0,0]=3 447 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,0]=2 448 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|4,0,0]=4 449 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [0,0,0,0,0,0|4,0,0]=4 450 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [0,0,0,0,0,0|3,0,0]=3 451 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [0,0,0,0,0,0|2,0,0]=2 452 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [0,0,0,0,0,0|1,0,2]=3 453 B9R0.45 NCCOCCOCCF 34a_100000211614_100011217306 [0,0,0,0,0,0|2,0,0]=2 454 B9R0.45 NCCOCCOCCO 34a_100000210304_100000692535 [0,0,0,0,0,0|1,0,0]=1 455 B9R0.45 NCCOCCOCCO 34a_100000211614_100000211926 [0,0,0,0,0,0|1,0,0]=1 456 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [0,0,0,0,0,0|2,0,2]=4 457 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [0,0,0,0,0,0|1,1,2]=4 458 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [0,0,0,0,0,0|1,1,2]=4 459 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [0,0,0,0,0,0|2,0,2]=4 460 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [0,0,0,0,0,0|2,0,2]=4 461 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [0,0,0,0,0,0|1,0,2]=3 462 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [0,0,0,0,0,0|1,0,2]=3 463 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [0,0,0,0,0,0|1,1,2]=4 464 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [0,0,0,0,0,0|2,0,2]=4 465 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [0,0,0,0,0,0|2,0,2]=4 466 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [0,0,0,0,0,0|2,0,2]=4 467 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [0,0,0,0,0,0|2,0,2]=4 468 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [0,0,0,0,0,0|2,0,2]=4 469 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [0,0,0,0,0,0|2,0,2]=4 470 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [0,0,0,0,0,0|1,0,2]=3 471 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [0,0,0,0,0,0|1,0,2]=3 472 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [0,0,0,0,0,0|1,0,2]=3 473 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [0,0,0,0,0,0|1,0,2]=3 474 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [0,0,0,0,0,0|1,0,2]=3 475 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [0,0,0,0,0,0|1,0,2]=3 476 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [0,0,0,0,0,0|1,0,2]=3 477 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [0,0,0,0,0,0|1,0,2]=3 478 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [0,0,0,0,0,0|1,1,2]=4 479 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [0,0,0,0,0,0|1,1,2]=4 480 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [0,0,0,0,0,0|0,1,2]=3 481 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [0,0,0,0,0,0|0,1,2]=3 482 B9R0.45 OCC#CCSCCCO 62a_100011215043_200000047223 [0,0,0,0,0,0|3,0,1]=4 483 B9R0.45 OCC#CCSCCCO 62a_200000047223_100011215043 [0,0,0,0,0,0|3,0,1]=4 484 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [0,0,0,0,0,0|4,0,0]=4 485 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [0,0,0,0,0,0|4,0,0]=4 486 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [0,0,0,0,0,0|4,0,0]=4 487 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [0,0,0,0,0,0|3,0,0]=3 488 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [0,0,0,0,0,0|3,0,0]=3 489 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [0,0,0,0,0,0|3,0,0]=3 490 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [0,0,0,0,0,0|2,0,0]=2 491 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [0,0,0,0,0,0|2,0,0]=2 492 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [0,0,0,0,0,0|2,0,0]=2 493 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [0,0,0,0,0,0|2,0,0]=2 494 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [0,0,0,0,0,0|2,0,0]=2 495 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [0,0,0,0,0,0|2,1,0]=3 496 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [0,0,0,0,0,0|2,1,0]=3 497 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [0,0,0,0,0,0|1,1,0]=2 498 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [0,0,0,0,0,0|1,1,0]=2 499 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [0,0,0,0,0,0|4,0,0]=4 500 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [0,0,0,0,0,0|4,0,0]=4 501 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [0,0,0,0,0,0|4,0,0]=4 502 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [0,0,0,0,0,0|4,0,0]=4 503 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [0,0,0,0,0,0|3,0,0]=3 504 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [0,0,0,0,0,0|3,0,0]=3 505 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [0,0,0,0,0,0|4,0,0]=4 506 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [0,0,0,0,0,0|4,0,0]=4 507 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [0,0,0,0,0,0|4,0,0]=4 508 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [0,0,0,0,0,0|4,0,0]=4 509 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [0,0,0,0,0,0|4,0,0]=4 510 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [0,0,0,0,0,0|3,0,0]=3 511 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [0,0,0,0,0,0|3,0,0]=3 512 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [0,0,0,0,0,0|4,0,0]=4 513 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [0,0,0,0,0,0|4,0,0]=4 514 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [0,0,0,0,0,0|4,0,0]=4 515 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [0,0,0,0,0,0|4,0,0]=4 516 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [0,0,0,0,0,0|4,0,0]=4 517 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [0,0,0,0,0,0|4,0,0]=4 518 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [0,0,0,0,0,0|4,0,0]=4 519 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [0,0,0,0,0,0|4,0,0]=4 520 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [0,0,0,0,0,0|3,0,0]=3 521 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [0,0,0,0,0,0|3,0,0]=3 522 B9R0.45 OCCNCCOCCO 2230a_100000211614_100000211926 [0,0,0,0,0,0|1,0,0]=1 523 B9R0.45 OCCNCCOCCO 2230a_100016997473_100011215305 [0,0,0,0,0,0|1,0,0]=1 524 B9R0.45 OCCNCCOCCO 34a_100000211614_100000211926 [0,0,0,0,0,0|1,0,0]=1 525 B9R0.45 OCCNCCOCCO 34a_100016990907_100000692535 [0,0,0,0,0,0|1,0,0]=1 526 B9R0.45 OCCNCCSCCO 2230a_100011219999_100000211926 [0,0,0,0,0,0|1,1,0]=2 527 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [0,0,0,0,0,0|2,0,0]=2 528 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [0,0,0,0,0,0|2,0,0]=2 529 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [0,0,0,0,0,0|2,0,0]=2 530 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [0,0,0,0,0,0|2,0,0]=2 531 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [0,0,0,0,0,0|2,0,0]=2 532 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [0,0,0,0,0,0|2,0,0]=2 533 B9R0.45 OCCOCCNCCF 2230a_100000211614_100011217306 [0,0,0,0,0,0|2,0,0]=2 534 B9R0.45 OCCOCCNCCF 34a_100000211614_100011217306 [0,0,0,0,0,0|2,0,0]=2 535 B9R0.45 OCCOCCNCCF 34a_100000724931_100000692535 [0,0,0,0,0,0|2,0,0]=2 536 B9R0.45 OCCOCCOCCBr 34a_100000211926_100000692535 [0,0,0,0,0,0|1,0,0]=1 537 B9R0.45 OCCOCCOCCBr 34a_100000692535_100000211926 [0,0,0,0,0,0|1,0,0]=1 538 B9R0.45 OCCOCCOCCBr 7a_100000692535_100000211926 [0,0,0,0,0,0|1,0,0]=1 539 B9R0.45 OCCOCCOCCCl 34a_100011215305_100000211926 [0,0,0,0,0,0|1,0,0]=1 540 B9R0.45 OCCOCCOCCCl 7a_100011215305_100000211926 [0,0,0,0,0,0|1,0,0]=1 541 B9R0.45 OCCOCCOCCF 34a_200015357709_100000211926 [0,0,0,0,0,0|1,0,0]=1 542 B9R0.45 OCCOCCOCCF 7a_200015357709_100000211926 [0,0,0,0,0,0|1,0,0]=1 543 B9R0.45 OCCOCCOCCI 34a_100012149058_100000211926 [0,0,0,0,0,0|1,0,0]=1 544 B9R0.45 OCCOCCOCCI 7a_100012149058_100000211926 [0,0,0,0,0,0|1,0,0]=1 545 B9R0.45 OCCOCCSCCF 62a_100011215305_100011217306 [0,0,0,0,0,0|1,1,0]=2 546 B9R0.45 OCCOCCSCCF 62a_100011217306_100011215305 [0,0,0,0,0,0|1,1,0]=2 547 B9R0.45 OCCOCCSCCO 62a_100000211926_100011215305 [0,0,0,0,0,0|0,1,0]=1 548 B9R0.45 OCCOCCSCCO 62a_100011215305_100000211926 [0,0,0,0,0,0|0,1,0]=1 549 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [0,0,0,0,0,0|2,1,0]=3 550 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [0,0,0,0,0,0|2,1,0]=3 551 B9R0.45 OCCSCCNCCF 2230a_100011219999_100011217306 [0,0,0,0,0,0|2,1,0]=3 552 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [0,0,0,0,0,0|4,0,0]=4 553 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [0,0,0,0,0,0|4,0,0]=4 554 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [0,0,0,0,0,0|4,0,0]=4 555 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [0,0,0,0,0,0|4,0,0]=4 556 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 557 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|2,0,1]=4 558 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|2,0,1]=4 559 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [1,0,0,0,0,0|2,0,1]=4 560 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [1,0,0,0,0,0|2,0,1]=4 561 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [1,0,0,0,0,0|2,0,1]=4 562 B8R0.4 C#CCCCOCCBr 34a_100000211926_100000695029 [1,0,0,0,0,0|2,0,1]=4 563 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,0,0,0,0,0|2,0,1]=4 564 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,0,0,0,0,0|2,0,1]=4 565 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,0,0,0,0,0|2,0,1]=4 566 B8R0.4 C#CCCCOCCF 34a_100000215630_100011217306 [1,0,0,0,0,0|2,0,1]=4 567 B8R0.4 C#CCCCOCCF 7a_100000215630_100011217306 [1,0,0,0,0,0|2,0,1]=4 568 B8R0.4 C#CCCCOCCN 34a_100000210304_100000695029 [1,0,0,0,0,0|2,0,1]=4 569 B8R0.4 C#CCCCOCCO 34a_100000215630_100000211926 [1,0,0,0,0,0|1,0,1]=3 570 B8R0.4 C#CCCCOCCO 7a_100000215630_100000211926 [1,0,0,0,0,0|1,0,1]=3 571 B8R0.4 C#CCCCSCCO 62a_100000211926_100011215417 [1,0,0,0,0,0|1,1,1]=4 572 B8R0.4 C#CCCCSCCO 62a_100011215417_100000211926 [1,0,0,0,0,0|1,1,1]=4 573 B8R0.4 C#CCNCCCCO 2230a_100000750430_100000038162 [1,0,0,0,0,0|2,0,1]=4 574 B8R0.4 C#CCNCCCCO 34a_100000212058_100011216708 [1,0,0,0,0,0|2,0,1]=4 575 B8R0.4 C#CCNCCCCO 34a_100000750430_100000184674 [1,0,0,0,0,0|2,0,1]=4 576 B8R0.4 C#CCNCCOCC 2230a_102516460346_100000038162 [1,0,0,0,0,0|2,0,1]=4 577 B8R0.4 C#CCNCCOCC 34a_100000212058_100000210147 [1,0,0,0,0,0|2,0,1]=4 578 B8R0.4 C#CCNCCOCC 34a_102516460346_100000184674 [1,0,0,0,0,0|2,0,1]=4 579 B8R0.4 C#CCOCCCCBr 34a_100011216708_100000184674 [1,0,0,0,0,0|2,0,1]=4 580 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,0,0,0,0,0|2,0,1]=4 581 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,0,0,0,0,0|2,0,1]=4 582 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,0,0,0,0,0|2,0,1]=4 583 B8R0.4 C#CCOCCCCCl 34a_100000210776_100000184674 [1,0,0,0,0,0|2,0,1]=4 584 B8R0.4 C#CCOCCCCCl 7a_100000210776_100000038162 [1,0,0,0,0,0|2,0,1]=4 585 B8R0.4 C#CCOCCCCF 34a_100000210247_100000729493 [1,0,0,0,0,0|2,0,1]=4 586 B8R0.4 C#CCOCCCCF 34a_100011995726_100000184674 [1,0,0,0,0,0|2,0,1]=4 587 B8R0.4 C#CCOCCCCF 7a_100011995726_100000038162 [1,0,0,0,0,0|2,0,1]=4 588 B8R0.4 C#CCOCCCCI 34a_200012148704_100000184674 [1,0,0,0,0,0|2,0,1]=4 589 B8R0.4 C#CCOCCCCN 34a_100000750430_100000184674 [1,0,0,0,0,0|2,0,1]=4 590 B8R0.4 C#CCOCCCCO 34a_100000210247_100011216708 [1,0,0,0,0,0|1,0,1]=3 591 B8R0.4 C#CCOCCNCC 2230a_100000700922_100000210202 [1,0,0,0,0,0|2,0,1]=4 592 B8R0.4 C#CCOCCNCC 2230a_100015525214_100010402529 [1,0,0,0,0,0|2,0,1]=4 593 B8R0.4 C#CCOCCNCC 34a_100000700922_100000210202 [1,0,0,0,0,0|2,0,1]=4 594 B8R0.4 C#CCOCCOCC 34a_100000054580_100000210202 [1,0,0,0,0,0|1,0,1]=3 595 B8R0.4 C#CCOCCOCC 34a_100000210136_100000184674 [1,0,0,0,0,0|1,0,1]=3 596 B8R0.4 C#CCOCCOCC 34a_100000210247_100000210147 [1,0,0,0,0,0|1,0,1]=3 597 B8R0.4 C#CCOCCOCC 34a_100121572206_100010402529 [1,0,0,0,0,0|1,0,1]=3 598 B8R0.4 C#CCOCCOCC 7a_100000054580_100000210202 [1,0,0,0,0,0|1,0,1]=3 599 B8R0.4 C#CCOCCOCC 7a_100000210136_100000038162 [1,0,0,0,0,0|1,0,1]=3 600 B8R0.4 C#CCOCCOCF 34a_100000054580_100015361967 [1,0,0,0,0,0|2,0,1]=4 601 B8R0.4 C#CCOCCOCF 7a_100000054580_100015361967 [1,0,0,0,0,0|2,0,1]=4 602 B8R0.4 C#CCOCCSCC 34a_100000210247_100000757381 [1,0,0,0,0,0|1,1,1]=4 603 B8R0.4 C#CCOCCSCC 34a_100000212035_100000184674 [1,0,0,0,0,0|1,1,1]=4 604 B8R0.4 C#CCOCCSCC 62a_100000210202_100010402529 [1,0,0,0,0,0|1,1,1]=4 605 B8R0.4 C#CCOCCSCC 62a_100010402529_100000210202 [1,0,0,0,0,0|1,1,1]=4 606 B8R0.4 C#CCOCCSCC 7a_100000212035_100000038162 [1,0,0,0,0,0|1,1,1]=4 607 B8R0.4 C#CCSCCCCO 62a_100000038162_100000210776 [1,0,0,0,0,0|1,1,1]=4 608 B8R0.4 C#CCSCCOCC 62a_100000038162_100011215890 [1,0,0,0,0,0|1,1,1]=4 609 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,0,0,0,0,0|2,0,1]=4 610 B8R0.4 C/C=C/CCOCCF 34a_100016278192_100011217306 [1,0,0,0,0,0|2,0,1]=4 611 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [1,0,0,0,0,0|1,0,1]=3 612 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|2,0,1]=4 613 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|2,0,1]=4 614 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|2,0,1]=4 615 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,0,0,0,0,0|2,0,1]=4 616 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,0,0,0,0,0|2,0,1]=4 617 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,0,0,0,0,0|2,0,1]=4 618 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,0,0,0,0,0|2,0,1]=4 619 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,0,0,0,0,0|2,0,1]=4 620 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,0,0,0,0,0|2,0,1]=4 621 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,0,0,0,0,0|2,0,1]=4 622 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,0,0,0,0,0|2,0,1]=4 623 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,0,0,0,0,0|2,0,1]=4 624 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,0,0,0,0,0|2,0,1]=4 625 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,0,0,0,0,0|2,0,1]=4 626 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,0,0,0,0,0|1,0,1]=3 627 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,0,0,0,0,0|1,0,1]=3 628 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,0,0,0,0,0|1,1,1]=4 629 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,0,0,0,0,0|1,1,1]=4 630 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,0,0,0,0,0|2,0,1]=4 631 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,0,0,0,0,0|2,0,1]=4 632 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,0,0,0,0,0|2,0,1]=4 633 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,0,0,0,0,0|2,0,1]=4 634 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,0,0,0,0,0|2,0,1]=4 635 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,0,0,0,0,0|2,0,1]=4 636 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,0,0,0,0,0|2,0,1]=4 637 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 638 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,0,0,0,0,0|2,0,1]=4 639 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,0,0,0,0,0|2,0,1]=4 640 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,0,0,0,0,0|2,0,1]=4 641 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,0,0,0,0,0|2,0,1]=4 642 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,0,0,0,0,0|2,0,1]=4 643 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,0,0,0,0,0|2,0,1]=4 644 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,0,0,0,0,0|2,0,1]=4 645 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,0,0,0,0,0|2,0,1]=4 646 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,0,0,0,0,0|2,0,1]=4 647 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,0,0,0,0,0|1,0,1]=3 648 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,0,0,0,0,0|1,0,1]=3 649 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,0,0,0,0,0|1,0,1]=3 650 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,0,0,0,0,0|1,0,1]=3 651 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,0,0,0,0,0|1,0,1]=3 652 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,0,0,0,0,0|1,0,1]=3 653 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [1,0,0,0,0,0|2,0,1]=4 654 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [1,0,0,0,0,0|2,0,1]=4 655 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,0,0,0,0,0|1,1,1]=4 656 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,0,0,0,0,0|1,1,1]=4 657 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,0,0,0,0,0|1,1,1]=4 658 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,0,0,0,0,0|1,1,1]=4 659 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,0,0,0,0,0|1,1,1]=4 660 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,0,0,0,0,0|1,1,1]=4 661 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,0,0,0,0,0|1,1,1]=4 662 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [1,0,0,0,0,0|1,0,2]=4 663 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [1,0,0,0,0,0|1,0,2]=4 664 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [1,0,0,0,0,0|1,0,2]=4 665 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,0,0,0,0,0|1,0,2]=4 666 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,0,0,0,0,0|1,0,2]=4 667 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [1,0,0,0,0,0|1,0,2]=4 668 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [1,0,0,0,0,0|1,0,2]=4 669 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [1,0,0,0,0,0|0,0,2]=3 670 B8R0.4 C=COCCSCCO 62a_100000039644_100000211926 [1,0,0,0,0,0|0,1,2]=4 671 B8R0.4 C=COCCSCCO 62a_100000211926_100000039644 [1,0,0,0,0,0|0,1,2]=4 672 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [1,0,0,0,0,0|2,0,1]=4 673 B8R0.4 CC#CCCOCCF 34a_100000750427_100011217306 [1,0,0,0,0,0|2,0,1]=4 674 B8R0.4 CC#CCCOCCO 34a_100000750427_100000211926 [1,0,0,0,0,0|1,0,1]=3 675 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|2,0,1]=4 676 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|2,0,1]=4 677 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|2,0,1]=4 678 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|2,0,1]=4 679 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|2,0,1]=4 680 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,0,0,0,0,0|2,0,1]=4 681 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|2,0,1]=4 682 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|2,0,1]=4 683 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,0,0,0,0,0|2,0,1]=4 684 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,0,0,0,0,0|2,0,1]=4 685 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|1,0,1]=3 686 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|1,1,1]=4 687 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|1,1,1]=4 688 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|2,0,1]=4 689 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|2,0,1]=4 690 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [1,0,0,0,0,0|2,0,1]=4 691 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [1,0,0,0,0,0|2,0,1]=4 692 B8R0.4 CCC#CCOCCBr 34a_100000211926_100009813939 [1,0,0,0,0,0|2,0,1]=4 693 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,0,0,0,0,0|2,0,1]=4 694 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,0,0,0,0,0|2,0,1]=4 695 B8R0.4 CCC#CCOCCF 34a_100000032950_100011217306 [1,0,0,0,0,0|2,0,1]=4 696 B8R0.4 CCC#CCOCCN 34a_100000210304_100009813939 [1,0,0,0,0,0|2,0,1]=4 697 B8R0.4 CCC#CCOCCO 34a_100000032950_100000211926 [1,0,0,0,0,0|1,0,1]=3 698 B8R0.4 CCC#CCSCCO 62a_100000211926_100009813939 [1,0,0,0,0,0|1,1,1]=4 699 B8R0.4 CCC#CCSCCO 62a_100009813939_100000211926 [1,0,0,0,0,0|1,1,1]=4 700 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|2,0,1]=4 701 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|2,0,1]=4 702 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,0,0,0,0,0|2,0,1]=4 703 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,0,0,0,0,0|2,0,1]=4 704 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|3,0,0]=4 705 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|3,0,0]=4 706 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|2,0,0]=3 707 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|2,0,0]=3 708 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|2,0,0]=3 709 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|3,0,0]=4 710 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|3,0,0]=4 711 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|2,1,0]=4 712 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|2,1,0]=4 713 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|3,0,0]=4 714 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|3,0,0]=4 715 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|3,0,0]=4 716 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|2,0,0]=3 717 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|2,0,0]=3 718 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|2,0,0]=3 719 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,0,0,0,0,0|2,0,1]=4 720 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,0,0,0,0,0|1,0,2]=4 721 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,0,0,0,0,0|1,0,2]=4 722 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|2,0,0]=3 723 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|2,0,0]=3 724 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|2,0,0]=3 725 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|2,0,0]=3 726 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 727 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|2,0,0]=3 728 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|2,0,0]=3 729 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 730 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|1,0,0]=2 731 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|3,0,0]=4 732 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|2,1,0]=4 733 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|2,1,0]=4 734 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|2,1,0]=4 735 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|2,1,0]=4 736 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|1,1,0]=3 737 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|1,1,0]=3 738 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,0,0,0,0|3,0,0]=4 739 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,0,0,0,0|3,0,0]=4 740 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,0,0,0,0|3,0,0]=4 741 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,0,0,0,0|3,0,0]=4 742 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|3,0,0]=4 743 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,0,0,0,0|3,0,0]=4 744 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,0,0,0,0|3,0,0]=4 745 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|3,0,0]=4 746 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|3,0,0]=4 747 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 748 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 749 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 750 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|2,0,0]=3 751 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|2,1,0]=4 752 B8R0.4 CCCOCC#CCO 34a_100000210258_200000047223 [1,0,0,0,0,0|1,0,2]=4 753 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|2,0,0]=3 754 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 755 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|2,0,0]=3 756 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|2,0,0]=3 757 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 758 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|2,0,0]=3 759 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|2,0,0]=3 760 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|2,0,0]=3 761 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|1,0,0]=2 762 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|3,0,0]=4 763 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|3,0,0]=4 764 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|3,0,0]=4 765 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|3,0,0]=4 766 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|3,0,0]=4 767 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|3,0,0]=4 768 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|3,0,0]=4 769 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|3,0,0]=4 770 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|3,0,0]=4 771 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,0]=3 772 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,0]=3 773 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,0]=3 774 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [1,0,0,0,0,0|3,0,0]=4 775 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|1,0,0]=2 776 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|1,0,0]=2 777 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|1,0,0]=2 778 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|1,0,0]=2 779 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|1,0,0]=2 780 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|1,0,0]=2 781 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,0,0,0,0|2,0,0]=3 782 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,0,0,0,0|2,0,0]=3 783 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|1,1,0]=3 784 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|1,1,0]=3 785 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|1,1,0]=3 786 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|1,1,0]=3 787 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|1,1,0]=3 788 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [1,0,0,0,0,0|2,1,0]=4 789 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [1,0,0,0,0,0|2,1,0]=4 790 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|2,1,0]=4 791 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|2,1,0]=4 792 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|1,1,0]=3 793 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|1,1,0]=3 794 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,1,0]=4 795 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|1,1,0]=3 796 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|1,1,0]=3 797 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|1,1,0]=3 798 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|1,1,0]=3 799 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,0,0,0,0,0|2,1,0]=4 800 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,0,0,0,0,0|2,1,0]=4 801 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|1,2,0]=4 802 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|1,2,0]=4 803 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|3,0,0]=4 804 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 805 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|2,0,0]=3 806 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 807 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|3,0,0]=4 808 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|3,0,0]=4 809 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|3,0,0]=4 810 B8R0.4 CCNCCOCC#N 2230a_100015525214_200000047693 [1,0,0,0,0,0|2,0,1]=4 811 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,0,0,0,0,0|1,0,0]=2 812 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,0,0,0,0,0|1,0,0]=2 813 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,0,0,0,0,0|1,0,0]=2 814 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,0,0,0,0,0|1,1,0]=3 815 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 816 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|2,0,0]=3 817 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 818 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|2,0,0]=3 819 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|2,0,0]=3 820 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 821 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|2,0,0]=3 822 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,0]=3 823 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,0]=2 824 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|3,0,0]=4 825 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|3,0,0]=4 826 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|3,0,0]=4 827 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|3,0,0]=4 828 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|3,0,0]=4 829 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|3,0,0]=4 830 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|3,0,0]=4 831 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|3,0,0]=4 832 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 833 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|3,0,0]=4 834 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|3,0,0]=4 835 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|3,0,0]=4 836 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|3,0,0]=4 837 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|3,0,0]=4 838 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|3,0,0]=4 839 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|3,0,0]=4 840 B8R0.4 CCOCCNCC#N 2230a_102516460346_100011215382 [1,0,0,0,0,0|2,0,1]=4 841 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,0,0,0,0,0|1,0,2]=4 842 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,0,0,0,0,0|1,0,2]=4 843 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|2,0,0]=3 844 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|2,0,0]=3 845 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|2,0,0]=3 846 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|1,0,0]=2 847 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|1,0,0]=2 848 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|1,0,0]=2 849 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|1,0,0]=2 850 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,0,0,0,0,0|3,0,0]=4 851 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 852 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,0,0,0,0,0|3,0,0]=4 853 B8R0.4 CCOCCOCC#N 7a_100000210136_100011215382 [1,0,0,0,0,0|1,0,1]=3 854 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,0,0,0,0,0|0,0,2]=3 855 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,0,0,0,0,0|0,0,2]=3 856 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|1,0,0]=2 857 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|1,0,0]=2 858 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|1,0,0]=2 859 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|1,0,0]=2 860 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|1,0,0]=2 861 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|1,0,0]=2 862 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|1,0,0]=2 863 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|1,0,0]=2 864 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|1,0,0]=2 865 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|1,0,0]=2 866 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|1,0,0]=2 867 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|1,0,0]=2 868 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|1,0,0]=2 869 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|0,0,0]=1 870 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|0,0,0]=1 871 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|0,0,0]=1 872 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,0,0,0,0,0|2,0,0]=3 873 B8R0.4 CCOCCSCC#N 62a_100000210147_100011215382 [1,0,0,0,0,0|1,1,1]=4 874 B8R0.4 CCOCCSCC#N 62a_100011215382_100011215890 [1,0,0,0,0,0|1,1,1]=4 875 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,0,0,0,0,0|0,1,2]=4 876 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,0,0,0,0,0|0,1,2]=4 877 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|1,1,0]=3 878 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|1,1,0]=3 879 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|0,1,0]=2 880 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|0,1,0]=2 881 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,0,0,0,0,0|2,1,0]=4 882 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,0,0,0,0,0|2,1,0]=4 883 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,0,0,0,0,0|2,1,0]=4 884 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,0,0,0,0,0|2,1,0]=4 885 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|3,0,0]=4 886 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|3,0,0]=4 887 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,0]=3 888 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,0]=3 889 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|2,1,0]=4 890 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|2,1,0]=4 891 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,1,0]=3 892 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,1,0]=3 893 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [1,0,0,0,0,0|2,1,0]=4 894 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [1,0,0,0,0,0|2,1,0]=4 895 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,0,0,0,0,0|1,1,0]=3 896 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,0,0,0,0,0|1,1,0]=3 897 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,0,0,0,0,0|1,1,0]=3 898 B8R0.4 CCSCCOCC#N 62a_100000210202_200000047693 [1,0,0,0,0,0|1,1,1]=4 899 B8R0.4 CCSCCOCC#N 62a_200000047693_100000210202 [1,0,0,0,0,0|1,1,1]=4 900 B8R0.4 CCSCCOCC#N 7a_100000212035_100011215382 [1,0,0,0,0,0|1,1,1]=4 901 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,0,0,0,0,0|0,1,2]=4 902 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,0,0,0,0,0|0,1,2]=4 903 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [1,0,0,0,0,0|1,1,0]=3 904 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [1,0,0,0,0,0|1,1,0]=3 905 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [1,0,0,0,0,0|1,1,0]=3 906 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [1,0,0,0,0,0|1,1,0]=3 907 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,0,0,0,0,0|0,1,0]=2 908 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,0,0,0,0,0|0,1,0]=2 909 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,0,0,0,0,0|0,1,0]=2 910 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,0,0,0,0,0|0,1,0]=2 911 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [1,0,0,0,0,0|2,1,0]=4 912 B8R0.4 CCSCCSCCF 62a_100000757381_100011217306 [1,0,0,0,0,0|1,2,0]=4 913 B8R0.4 CCSCCSCCF 62a_100011217306_100000757381 [1,0,0,0,0,0|1,2,0]=4 914 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,0,0,0,0,0|0,2,0]=3 915 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,0,0,0,0,0|0,2,0]=3 916 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,0,0,0,0,0|3,0,0]=4 917 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,0,0,0,0,0|3,0,0]=4 918 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,0,0,0,0,0|3,0,0]=4 919 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,0,0,0,0,0|3,0,0]=4 920 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,0,0,0,0,0|3,0,0]=4 921 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [1,0,0,0,0,0|3,0,0]=4 922 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,0,0,0,0,0|2,0,0]=3 923 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,0,0,0,0,0|3,0,0]=4 924 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,0,0,0,0,0|3,0,0]=4 925 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,0,0,0,0,0|3,0,0]=4 926 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,0,0,0,0,0|3,0,0]=4 927 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [1,0,0,0,0,0|3,0,0]=4 928 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [1,0,0,0,0,0|3,0,0]=4 929 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [1,0,0,0,0,0|3,0,0]=4 930 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,0,0,0,0,0|2,0,0]=3 931 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,0,0,0,0,0|2,1,0]=4 932 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,0,0,0,0,0|2,1,0]=4 933 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,0,0,0,0,0|3,0,0]=4 934 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,0,0,0,0,0|2,1,0]=4 935 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,0,0,0,0,0|2,1,0]=4 936 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,0,0,0,0,0|3,0,0]=4 937 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,0,0,0,0,0|3,0,0]=4 938 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,0,0,0,0,0|3,0,0]=4 939 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 940 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [1,0,0,0,0,0|3,0,0]=4 941 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 942 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,0,0,0,0,0|2,0,0]=3 943 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 944 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 945 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [1,0,0,0,0,0|3,0,0]=4 946 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [1,0,0,0,0,0|3,0,0]=4 947 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [1,0,0,0,0,0|3,0,0]=4 948 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [1,0,0,0,0,0|3,0,0]=4 949 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [1,0,0,0,0,0|3,0,0]=4 950 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,0,0,0,0,0|2,1,0]=4 951 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,0,0,0,0,0|2,1,0]=4 952 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [1,0,0,0,0,0|3,0,0]=4 953 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [1,0,0,0,0,0|2,0,0]=3 954 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [1,0,0,0,0,0|2,0,0]=3 955 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [1,0,0,0,0,0|2,0,0]=3 956 B8R0.4 FCCCCSCCF 62a_100000729493_100011217306 [1,0,0,0,0,0|2,1,0]=4 957 B8R0.4 FCCCCSCCF 62a_100011217306_100000729493 [1,0,0,0,0,0|2,1,0]=4 958 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [1,0,0,0,0,0|2,0,0]=3 959 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [1,0,0,0,0,0|2,0,0]=3 960 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [1,0,0,0,0,0|2,0,0]=3 961 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [1,0,0,0,0,0|2,0,0]=3 962 B8R0.4 FCCOCCOCF 34a_200015357709_100015361967 [1,0,0,0,0,0|2,0,0]=3 963 B8R0.4 FCCOCCOCF 7a_200015357709_100015361967 [1,0,0,0,0,0|2,0,0]=3 964 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 965 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|3,0,0]=4 966 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 967 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|3,0,0]=4 968 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 969 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|3,0,0]=4 970 B8R0.4 FCOCCOCCBr 34a_100000692535_100015361967 [1,0,0,0,0,0|2,0,0]=3 971 B8R0.4 FCOCCOCCBr 7a_100000692535_100015361967 [1,0,0,0,0,0|2,0,0]=3 972 B8R0.4 FCOCCOCCCl 34a_100011215305_100015361967 [1,0,0,0,0,0|2,0,0]=3 973 B8R0.4 FCOCCOCCCl 7a_100011215305_100015361967 [1,0,0,0,0,0|2,0,0]=3 974 B8R0.4 FCOCCOCCI 34a_100012149058_100015361967 [1,0,0,0,0,0|2,0,0]=3 975 B8R0.4 FCOCCOCCI 7a_100012149058_100015361967 [1,0,0,0,0,0|2,0,0]=3 976 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [1,0,0,0,0,0|2,0,1]=4 977 B8R0.4 N#CCCCSCCO 62a_100000211926_100000687738 [1,0,0,0,0,0|1,1,1]=4 978 B8R0.4 N#CCCCSCCO 62a_100000687738_100000211926 [1,0,0,0,0,0|1,1,1]=4 979 B8R0.4 N#CCNCCCCO 2230a_100000750430_100011215382 [1,0,0,0,0,0|2,0,1]=4 980 B8R0.4 N#CCOCCCCCl 7a_100000210776_100011215382 [1,0,0,0,0,0|2,0,1]=4 981 B8R0.4 N#CCOCCCCF 7a_100011995726_100011215382 [1,0,0,0,0,0|2,0,1]=4 982 B8R0.4 N#CCSCCCCO 62a_100000210776_100011215382 [1,0,0,0,0,0|1,1,1]=4 983 B8R0.4 N#CCSCCCCO 62a_100011215382_100000210776 [1,0,0,0,0,0|1,1,1]=4 984 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 985 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,0,0,0,0,0|1,0,2]=4 986 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 987 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|1,0,0]=2 988 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,0,0,0,0|3,0,0]=4 989 B8R0.4 NCCOCC#CCO 34a_100000210304_200000047223 [1,0,0,0,0,0|1,0,2]=4 990 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [1,0,0,0,0,0|2,0,0]=3 991 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,0,0,0,0,0|1,0,0]=2 992 B8R0.4 NCCOCCOCF 34a_100000211614_100015361967 [1,0,0,0,0,0|2,0,0]=3 993 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,0,0,0,0,0|1,0,2]=4 994 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,0,0,0,0,0|0,1,2]=4 995 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,0,0,0,0,0|0,1,2]=4 996 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,0,0,0,0,0|1,0,2]=4 997 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,0,0,0,0,0|1,0,2]=4 998 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,0,0,0,0,0|1,0,2]=4 999 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,0,0,0,0,0|1,0,2]=4 1000 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,0,0,0,0,0|1,0,2]=4 1001 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,0,0,0,0,0|1,0,2]=4 1002 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,0,0,0,0,0|1,0,2]=4 1003 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,0,0,0,0,0|1,0,2]=4 1004 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,0,0,0,0,0|0,1,2]=4 1005 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,0,0,0,0,0|0,1,2]=4 1006 B8R0.4 OCC#CCNCCO 2230a_100016997473_200000047223 [1,0,0,0,0,0|1,0,2]=4 1007 B8R0.4 OCC#CCNCCO 34a_100016990907_200000047223 [1,0,0,0,0,0|1,0,2]=4 1008 B8R0.4 OCC#CCOCCBr 34a_100000211926_200000047223 [1,0,0,0,0,0|1,0,2]=4 1009 B8R0.4 OCC#CCSCCO 62a_100000211926_200000047223 [1,0,0,0,0,0|0,1,2]=4 1010 B8R0.4 OCC#CCSCCO 62a_200000047223_100000211926 [1,0,0,0,0,0|0,1,2]=4 1011 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,0,0,0,0,0|3,0,0]=4 1012 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,0,0,0,0,0|2,1,0]=4 1013 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,0,0,0,0,0|2,1,0]=4 1014 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 1015 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,0,0,0,0,0|2,0,0]=3 1016 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,0,0,0,0,0|2,0,0]=3 1017 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,0,0,0,0|1,0,0]=2 1018 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,0,0,0,0|1,0,0]=2 1019 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,0,0,0,0|1,0,0]=2 1020 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,0,0,0,0|1,0,0]=2 1021 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,0,0,0,0,0|1,0,0]=2 1022 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,0,0,0,0,0|1,1,0]=3 1023 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,0,0,0,0,0|1,1,0]=3 1024 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,0,0,0,0|0,1,0]=2 1025 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,0,0,0,0|0,1,0]=2 1026 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,0,0,0,0|3,0,0]=4 1027 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,0,0,0,0|3,0,0]=4 1028 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,0,0,0,0|3,0,0]=4 1029 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,0,0,0,0|3,0,0]=4 1030 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,0,0,0,0|3,0,0]=4 1031 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,0,0,0,0|3,0,0]=4 1032 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,0,0,0,0|3,0,0]=4 1033 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,0,0,0,0|2,0,0]=3 1034 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,0,0,0,0,0|2,0,0]=3 1035 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,0,0,0,0,0|2,0,0]=3 1036 B8R0.4 OCCOCC#CCCl 34a_200000047223_100000211926 [1,0,0,0,0,0|1,0,2]=4 1037 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,0,0,0,0,0|1,0,0]=2 1038 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,0,0,0,0,0|1,0,0]=2 1039 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,0,0,0,0,0|1,0,0]=2 1040 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,0,0,0,0,0|1,0,0]=2 1041 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,0,0,0,0,0|1,0,0]=2 1042 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,0,0,0,0,0|1,0,0]=2 1043 B8R0.4 OCCOCCNCF 34a_100000211614_100015361967 [1,0,0,0,0,0|2,0,0]=3 1044 B8R0.4 OCCOCCSCF 62a_100011215305_100015361967 [1,0,0,0,0,0|1,1,0]=3 1045 B8R0.4 OCCOCCSCF 62a_100015361967_100011215305 [1,0,0,0,0,0|1,1,0]=3 1046 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,0,0,0,0,0|1,1,0]=3 1047 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,0,0,0,0,0|1,1,0]=3 1048 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,0,0,0,0,0|3,0,0]=4 1049 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,0,0,0,0,0|3,0,0]=4 1050 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,0,0,0,0,0|3,0,0]=4 1051 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,0,0,0,0,0|3,0,0]=4 1052 B10R0.1 C#CCC(=O)CCOCCO 1458a_100011220946_100011215305 [0,1,0,0,0,0|2,0,1]=4 1053 B10R0.1 C#CCC(=O)CCOCCO 1458a_100011229844_100000184674 [0,1,0,0,0,0|2,0,1]=4 1054 B10R0.1 C#CCN(C)CCOCCO 2230a_100000225692_100011215305 [0,1,0,0,0,0|2,0,1]=4 1055 B10R0.1 C#CCN(C)CCOCCO 2230a_100000228057_100000038162 [0,1,0,0,0,0|2,0,1]=4 1056 B10R0.1 C#CCN(C)CCOCCO 34a_100000225692_100000692535 [0,1,0,0,0,0|2,0,1]=4 1057 B10R0.1 C#CCOCCC(=O)CCO 1458a_100000693358_100000211926 [0,1,0,0,0,0|2,0,1]=4 1058 B10R0.1 C#CCOCCC(=O)CCO 1458a_100011216618_100010402529 [0,1,0,0,0,0|2,0,1]=4 1059 B10R0.1 C#CCOCCN(C)CCO 2230a_100000210263_100010402529 [0,1,0,0,0,0|2,0,1]=4 1060 B10R0.1 C=CCC(=O)CCOCCO 1458a_100000210193_100011215305 [0,1,0,0,0,0|2,0,1]=4 1061 B10R0.1 C=CCC(=O)CCOCCO 1458a_100011229844_100000210623 [0,1,0,0,0,0|2,0,1]=4 1062 B10R0.1 C=CCN(C)CCOCCO 2230a_100000225617_100011215305 [0,1,0,0,0,0|2,0,1]=4 1063 B10R0.1 C=CCN(C)CCOCCO 2230a_100000228057_100000210623 [0,1,0,0,0,0|2,0,1]=4 1064 B10R0.1 C=CCN(C)CCOCCO 269982a_100000225617_100011215305 [0,1,0,0,0,0|2,0,1]=4 1065 B10R0.1 C=CCN(C)CCOCCO 269982a_100000228057_100000210623 [0,1,0,0,0,0|2,0,1]=4 1066 B10R0.1 C=CCOCCC(=O)CCO 1458a_200011217002_100000211926 [0,1,0,0,0,0|2,0,1]=4 1067 B10R0.1 CC(CCO)NCCCCO 2230a_100000750430_100009893172 [0,1,0,0,0,0|3,0,0]=4 1068 B10R0.1 CC(CCO)NCCCCO 34a_100000750430_100009893172 [0,1,0,0,0,0|3,0,0]=4 1069 B10R0.1 CC(CCO)SCCCCO 62a_100000210776_100009893172 [0,1,0,0,0,0|3,0,0]=4 1070 B10R0.1 CC(CCO)SCCCCO 62a_100009893172_100000210776 [0,1,0,0,0,0|3,0,0]=4 1071 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|3,0,0]=4 1072 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|3,0,0]=4 1073 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,0,0,0,0|2,0,0]=3 1074 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,0,0,0,0|2,0,0]=3 1075 B10R0.1 CCCC(C)CCOCCF 34a_100011217855_100011217306 [0,1,0,0,0,0|3,0,0]=4 1076 B10R0.1 CCCC(C)CCOCCF 7a_100011217855_100011217306 [0,1,0,0,0,0|3,0,0]=4 1077 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [0,1,0,0,0,0|2,0,0]=3 1078 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [0,1,0,0,0,0|2,0,0]=3 1079 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|3,0,0]=4 1080 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|3,0,0]=4 1081 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,1,0,0,0,0|3,0,0]=4 1082 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,1,0,0,0,0|3,0,0]=4 1083 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,1,0,0,0,0|3,0,0]=4 1084 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,1,0,0,0,0|3,0,0]=4 1085 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 1086 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,1,0,0,0,0|3,0,0]=4 1087 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 1088 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,1,0,0,0,0|3,0,0]=4 1089 B10R0.1 CCCN(C)CCOCCO 2230a_100000228057_100000210303 [0,1,0,0,0,0|2,0,0]=3 1090 B10R0.1 CCCN(C)CCOCCO 2230a_100000747261_100011215305 [0,1,0,0,0,0|2,0,0]=3 1091 B10R0.1 CCCN(C)CCOCCO 269982a_100000228057_100000210303 [0,1,0,0,0,0|2,0,0]=3 1092 B10R0.1 CCCN(C)CCOCCO 269982a_100000747261_100011215305 [0,1,0,0,0,0|2,0,0]=3 1093 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|3,0,0]=4 1094 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,0,0,0,0|2,0,0]=3 1095 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|3,0,0]=4 1096 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|3,0,0]=4 1097 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 1098 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 1099 B10R0.1 CCCOCCN(C)CCO 2230a_100000210263_100011215938 [0,1,0,0,0,0|2,0,0]=3 1100 B10R0.1 CCCOCCN(C)CCO 269982a_100000210263_100011215938 [0,1,0,0,0,0|2,0,0]=3 1101 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|3,0,0]=4 1102 B10R0.1 CCC[C@H](N)CCOCCF 34a_100015193777_100011217306 [0,1,0,0,0,0|3,0,0]=4 1103 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [0,1,0,0,0,0|2,0,0]=3 1104 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,1,0,0,0,0|3,0,0]=4 1105 B10R0.1 CN(CC#N)CCOCCO 2230a_100000228057_100011215382 [0,1,0,0,0,0|2,0,1]=4 1106 B10R0.1 CN(CC#N)CCOCCO 2230a_100000748184_100011215305 [0,1,0,0,0,0|2,0,1]=4 1107 B10R0.1 CN(CC#N)CCOCCO 269982a_100000228057_100011214920 [0,1,0,0,0,0|2,0,1]=4 1108 B10R0.1 CN(CC=O)CCOCCO 2230a_100000228057_200015260668 [0,1,0,0,0,0|1,0,2]=4 1109 B10R0.1 CN(CC=O)CCOCCO 269982a_100000228057_200015260668 [0,1,0,0,0,0|1,0,2]=4 1110 B10R0.1 CN(CCF)CCCCCO 2230a_100000722520_100011217306 [0,1,0,0,0,0|3,0,0]=4 1111 B10R0.1 CN(CCF)CCCCCO 269982a_100000722520_100011217306 [0,1,0,0,0,0|3,0,0]=4 1112 B10R0.1 CN(CCF)CCOCCO 2230a_100000228057_100011217306 [0,1,0,0,0,0|2,0,0]=3 1113 B10R0.1 CN(CCF)CCOCCO 269982a_100000228057_100011217306 [0,1,0,0,0,0|2,0,0]=3 1114 B10R0.1 CN(CCO)CCCCCF 2230a_100000210263_100000729378 [0,1,0,0,0,0|3,0,0]=4 1115 B10R0.1 CN(CCO)CCCCCF 269982a_100000210263_100000729378 [0,1,0,0,0,0|3,0,0]=4 1116 B10R0.1 CN(CCO)CCCCCO 2230a_100000210263_100000746330 [0,1,0,0,0,0|2,0,0]=3 1117 B10R0.1 CN(CCO)CCCCCO 2230a_100000722520_100000211926 [0,1,0,0,0,0|2,0,0]=3 1118 B10R0.1 CN(CCO)CCCCCO 269982a_100000210263_100000746330 [0,1,0,0,0,0|2,0,0]=3 1119 B10R0.1 CN(CCO)CCCCCO 269982a_100000722520_100000211926 [0,1,0,0,0,0|2,0,0]=3 1120 B10R0.1 CN(CCO)CCOCC#N 2230a_100000210263_200000047693 [0,1,0,0,0,0|2,0,1]=4 1121 B10R0.1 CN(CCO)CCOCCO 2230a_100000210263_100011215305 [0,1,0,0,0,0|1,0,0]=2 1122 B10R0.1 CN(CCO)CCOCCO 2230a_100000228057_100000211926 [0,1,0,0,0,0|1,0,0]=2 1123 B10R0.1 CN(CCO)CCOCCO 269982a_100000210263_100011215305 [0,1,0,0,0,0|1,0,0]=2 1124 B10R0.1 CN(CCO)CCOCCO 269982a_100000228057_100000211926 [0,1,0,0,0,0|1,0,0]=2 1125 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,1,0,0,0,0|3,0,0]=4 1126 B10R0.1 COCN(C)CCOCCO 2230a_100000228057_100000766300 [0,1,0,0,0,0|3,0,0]=4 1127 B10R0.1 COCN(C)CCOCCO 269982a_100000228057_100000766300 [0,1,0,0,0,0|3,0,0]=4 1128 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,1,0,0,0,0|3,0,0]=4 1129 B10R0.1 CSCN(C)CCOCCO 2230a_100000228057_100011218213 [0,1,0,0,0,0|3,0,0]=4 1130 B10R0.1 CSCN(C)CCOCCO 269982a_100000228057_100011218213 [0,1,0,0,0,0|3,0,0]=4 1131 B10R0.1 C[C@H](CCO)NCCCCO 2230a_100000706166_100000210776 [0,1,0,0,0,0|3,0,0]=4 1132 B10R0.1 C[C@H](CCO)NCCCCO 34a_100000706166_100011216708 [0,1,0,0,0,0|3,0,0]=4 1133 B10R0.1 N#CCC(=O)CCOCCO 1458a_100011229844_100011214920 [0,1,0,0,0,0|2,0,1]=4 1134 B10R0.1 N#CCC(=O)CCOCCO 1458a_100051588842_100011215305 [0,1,0,0,0,0|2,0,1]=4 1135 B10R0.1 N#CCOCCC(=O)CCO 1458a_100011216618_200000047693 [0,1,0,0,0,0|2,0,1]=4 1136 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,1,0,0,0,0|3,0,0]=4 1137 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,1,0,0,0,0|2,0,0]=3 1138 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,0,0,0,0|3,0,0]=4 1139 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,0,0,0,0|2,0,0]=3 1140 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,0,0,0,0|2,0,0]=3 1141 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,1,0,0,0,0|1,0,0]=2 1142 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,1,0,0,0,0|1,0,0]=2 1143 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,1,0,0,0,0|3,0,0]=4 1144 B10R0.4 C#CCCCCOCC(C)O 34a_100000766709_100011218427 [0,1,0,0,0,0|2,0,1]=4 1145 B10R0.4 C#CCCCCOCC(C)O 7a_100000766709_100011218427 [0,1,0,0,0,0|2,0,1]=4 1146 B10R0.4 C#CCCCCOC[C@@H](C)O 34a_100000766709_100009817552 [0,1,0,0,0,0|2,0,1]=4 1147 B10R0.4 C#CCCCCOC[C@@H](C)O 7a_100000766709_100009817552 [0,1,0,0,0,0|2,0,1]=4 1148 B10R0.4 C#CCOCCNCC(C)O 2230a_100000210904_100010402529 [0,1,0,0,0,0|2,0,1]=4 1149 B10R0.4 C#CCOCCNCC(C)O 2230a_100000700922_100011218427 [0,1,0,0,0,0|2,0,1]=4 1150 B10R0.4 C#CCOCCNCC(C)O 34a_100000210904_100010402529 [0,1,0,0,0,0|2,0,1]=4 1151 B10R0.4 C#CCOCCNCC(C)O 34a_100000700922_100011218427 [0,1,0,0,0,0|2,0,1]=4 1152 B10R0.4 C#CCOCCNC[C@@H](C)O 2230a_100000700922_100009817552 [0,1,0,0,0,0|2,0,1]=4 1153 B10R0.4 C#CCOCCNC[C@@H](C)O 34a_100000700922_100009817552 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.4 C#CCOCCOCC(C)Br 34a_100012180447_100010402529 [0,1,0,0,0,0|2,0,1]=4 1155 B10R0.4 C#CCOCCOCC(C)C 34a_100000054580_100000210624 [0,1,0,0,0,0|2,0,1]=4 1156 B10R0.4 C#CCOCCOCC(C)C 34a_100000210257_100010402529 [0,1,0,0,0,0|2,0,1]=4 1157 B10R0.4 C#CCOCCOCC(C)C 34a_100000703358_100000184674 [0,1,0,0,0,0|2,0,1]=4 1158 B10R0.4 C#CCOCCOCC(C)C 7a_100000054580_100000210760 [0,1,0,0,0,0|2,0,1]=4 1159 B10R0.4 C#CCOCCOCC(C)C 7a_100000703358_100000038162 [0,1,0,0,0,0|2,0,1]=4 1160 B10R0.4 C#CCOCCOCC(C)F 34a_100015925927_100010402529 [0,1,0,0,0,0|2,0,1]=4 1161 B10R0.4 C#CCOCCOCC(C)O 34a_100000054580_100011218427 [0,1,0,0,0,0|1,0,1]=3 1162 B10R0.4 C#CCOCCOCC(C)O 7a_100000054580_100011218427 [0,1,0,0,0,0|1,0,1]=3 1163 B10R0.4 C#CCOCCOCC(F)F 34a_100000054580_100011934356 [0,1,0,0,0,0|2,0,1]=4 1164 B10R0.4 C#CCOCCOCC(F)F 34a_100000210247_200012177212 [0,1,0,0,0,0|2,0,1]=4 1165 B10R0.4 C#CCOCCOCC(F)F 34a_100000704375_100000184674 [0,1,0,0,0,0|2,0,1]=4 1166 B10R0.4 C#CCOCCOCC(F)F 34a_100000743014_100010402529 [0,1,0,0,0,0|2,0,1]=4 1167 B10R0.4 C#CCOCCOCC(F)F 7a_100000054580_100011934356 [0,1,0,0,0,0|2,0,1]=4 1168 B10R0.4 C#CCOCCOCC(F)F 7a_100000704375_100000038162 [0,1,0,0,0,0|2,0,1]=4 1169 B10R0.4 C#CCOCCOC[C@@H](C)Cl 34a_100016084084_100010402529 [0,1,0,0,0,0|2,0,1]=4 1170 B10R0.4 C#CCOCCOC[C@@H](C)N 34a_100000737577_100010402529 [0,1,0,0,0,0|2,0,1]=4 1171 B10R0.4 C#CCOCCOC[C@@H](C)O 34a_100000054580_100009817552 [0,1,0,0,0,0|1,0,1]=3 1172 B10R0.4 C#CCOCCOC[C@@H](C)O 7a_100000054580_100009817552 [0,1,0,0,0,0|1,0,1]=3 1173 B10R0.4 C#CCOCCSCC(C)O 62a_100010402529_100011218427 [0,1,0,0,0,0|1,1,1]=4 1174 B10R0.4 C#CCOCCSCC(C)O 62a_100011218427_100010402529 [0,1,0,0,0,0|1,1,1]=4 1175 B10R0.4 C#CCOCCSC[C@@H](C)O 62a_100009817552_100010402529 [0,1,0,0,0,0|1,1,1]=4 1176 B10R0.4 C#CCOCCSC[C@@H](C)O 62a_100010402529_100009817552 [0,1,0,0,0,0|1,1,1]=4 1177 B10R0.4 C=C(C)CNCCOCCO 2230a_100000211614_100000748629 [0,1,0,0,0,0|2,0,1]=4 1178 B10R0.4 C=C(C)CNCCOCCO 34a_100000211614_100000748629 [0,1,0,0,0,0|2,0,1]=4 1179 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,1,0,0,0,0|2,0,1]=4 1180 B10R0.4 C=C(C)COCCOCCBr 34a_100000692535_100000748629 [0,1,0,0,0,0|2,0,1]=4 1181 B10R0.4 C=C(C)COCCOCCBr 7a_100000692535_100000748629 [0,1,0,0,0,0|2,0,1]=4 1182 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,1,0,0,0,0|2,0,1]=4 1183 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,1,0,0,0,0|2,0,1]=4 1184 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,1,0,0,0,0|2,0,1]=4 1185 B10R0.4 C=C(C)COCCOCCCl 34a_100011215305_100000748629 [0,1,0,0,0,0|2,0,1]=4 1186 B10R0.4 C=C(C)COCCOCCCl 7a_100011215305_100000748629 [0,1,0,0,0,0|2,0,1]=4 1187 B10R0.4 C=C(C)COCCOCCF 34a_200015357709_100000748629 [0,1,0,0,0,0|2,0,1]=4 1188 B10R0.4 C=C(C)COCCOCCF 7a_200015357709_100000748629 [0,1,0,0,0,0|2,0,1]=4 1189 B10R0.4 C=C(C)COCCOCCI 34a_100012149058_100000748629 [0,1,0,0,0,0|2,0,1]=4 1190 B10R0.4 C=C(C)COCCOCCI 7a_100012149058_100000748629 [0,1,0,0,0,0|2,0,1]=4 1191 B10R0.4 C=C(C)COCCOCCN 34a_100000211614_100000748629 [0,1,0,0,0,0|2,0,1]=4 1192 B10R0.4 C=C(C)COCCOCCO 34a_100000210245_100000692535 [0,1,0,0,0,0|1,0,1]=3 1193 B10R0.4 C=C(C)CSCCOCCO 62a_100000748629_100011215305 [0,1,0,0,0,0|1,1,1]=4 1194 B10R0.4 C=C(C)CSCCOCCO 62a_100011215305_100000211660 [0,1,0,0,0,0|1,1,1]=4 1195 B10R0.4 C=C(F)CNCCOCCO 2230a_100000211614_100009893438 [0,1,0,0,0,0|2,0,1]=4 1196 B10R0.4 C=C(F)CNCCOCCO 34a_100000211614_100009893438 [0,1,0,0,0,0|2,0,1]=4 1197 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,1,0,0,0,0|2,0,1]=4 1198 B10R0.4 C=C(F)COCCOCCBr 34a_100000692535_100009893438 [0,1,0,0,0,0|2,0,1]=4 1199 B10R0.4 C=C(F)COCCOCCBr 7a_100000692535_100000042424 [0,1,0,0,0,0|2,0,1]=4 1200 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,1,0,0,0,0|2,0,1]=4 1201 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,1,0,0,0,0|2,0,1]=4 1202 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,1,0,0,0,0|2,0,1]=4 1203 B10R0.4 C=C(F)COCCOCCCl 34a_100011215305_100009893438 [0,1,0,0,0,0|2,0,1]=4 1204 B10R0.4 C=C(F)COCCOCCCl 7a_100011215305_100000042424 [0,1,0,0,0,0|2,0,1]=4 1205 B10R0.4 C=C(F)COCCOCCF 34a_200015357709_100009893438 [0,1,0,0,0,0|2,0,1]=4 1206 B10R0.4 C=C(F)COCCOCCF 7a_200015357709_100000042424 [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.4 C=C(F)COCCOCCI 34a_100012149058_100009893438 [0,1,0,0,0,0|2,0,1]=4 1208 B10R0.4 C=C(F)COCCOCCI 7a_100012149058_100000042424 [0,1,0,0,0,0|2,0,1]=4 1209 B10R0.4 C=C(F)COCCOCCN 34a_100000211614_100009893438 [0,1,0,0,0,0|2,0,1]=4 1210 B10R0.4 C=C(F)COCCOCCO 34a_200010262243_100000692535 [0,1,0,0,0,0|1,0,1]=3 1211 B10R0.4 C=C(F)CSCCOCCO 62a_100000042424_100011215305 [0,1,0,0,0,0|1,1,1]=4 1212 B10R0.4 C=C(F)CSCCOCCO 62a_100011215305_100000042424 [0,1,0,0,0,0|1,1,1]=4 1213 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,1,0,0,0,0|2,0,1]=4 1214 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,1,0,0,0,0|2,0,1]=4 1215 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,1,0,0,0,0|2,0,1]=4 1216 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,1,0,0,0,0|2,0,1]=4 1217 B10R0.4 C=CCOCCOCC(C)C 34a_100000037705_100000210624 [0,1,0,0,0,0|2,0,1]=4 1218 B10R0.4 C=CCOCCOCC(C)C 34a_100000703358_100015514636 [0,1,0,0,0,0|2,0,1]=4 1219 B10R0.4 C=CCOCCOCC(C)C 7a_100000037705_100000210760 [0,1,0,0,0,0|2,0,1]=4 1220 B10R0.4 C=CCOCCOCC(C)C 7a_100000703358_100015514636 [0,1,0,0,0,0|2,0,1]=4 1221 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [0,1,0,0,0,0|1,0,1]=3 1222 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [0,1,0,0,0,0|1,0,1]=3 1223 B10R0.4 C=CCOCCOCC(F)F 34a_100000037705_100011934356 [0,1,0,0,0,0|2,0,1]=4 1224 B10R0.4 C=CCOCCOCC(F)F 34a_100000704375_100015514636 [0,1,0,0,0,0|2,0,1]=4 1225 B10R0.4 C=CCOCCOCC(F)F 34a_200000210373_200012177212 [0,1,0,0,0,0|2,0,1]=4 1226 B10R0.4 C=CCOCCOCC(F)F 7a_100000037705_100011934356 [0,1,0,0,0,0|2,0,1]=4 1227 B10R0.4 C=CCOCCOCC(F)F 7a_100000704375_100015514636 [0,1,0,0,0,0|2,0,1]=4 1228 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [0,1,0,0,0,0|1,0,1]=3 1229 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [0,1,0,0,0,0|1,0,1]=3 1230 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,1,0,0,0,0|1,0,2]=4 1231 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,1,0,0,0,0|0,0,2]=3 1232 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,1,0,0,0,0|0,0,2]=3 1233 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,1,0,0,0,0|3,0,0]=4 1234 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,1,0,0,0,0|2,0,0]=3 1235 B10R0.4 CC(Br)COCCOCCO 34a_100012180447_100000692535 [0,1,0,0,0,0|1,0,0]=2 1236 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,1,0,0,0,0|3,0,0]=4 1237 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,1,0,0,0,0|3,0,0]=4 1238 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,1,0,0,0,0|3,0,0]=4 1239 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,1,0,0,0,0|3,0,0]=4 1240 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,1,0,0,0,0|3,0,0]=4 1241 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,1,0,0,0,0|3,0,0]=4 1242 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,1,0,0,0,0|2,0,0]=3 1243 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,1,0,0,0,0|2,0,0]=3 1244 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,1,0,0,0,0|2,1,0]=4 1245 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,1,0,0,0,0|2,1,0]=4 1246 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,1,0,0,0,0|3,0,0]=4 1247 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,1,0,0,0,0|3,0,0]=4 1248 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,1,0,0,0,0|3,0,0]=4 1249 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,1,0,0,0,0|3,0,0]=4 1250 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,1,0,0,0,0|3,0,0]=4 1251 B10R0.4 CC(C)CNCCOCCF 34a_100015185251_100011217306 [0,1,0,0,0,0|3,0,0]=4 1252 B10R0.4 CC(C)CNCCOCCO 2230a_100000210953_100011215305 [0,1,0,0,0,0|2,0,0]=3 1253 B10R0.4 CC(C)CNCCOCCO 2230a_100000211614_100000210760 [0,1,0,0,0,0|2,0,0]=3 1254 B10R0.4 CC(C)CNCCOCCO 270004a_100000211614_100000210432 [0,1,0,0,0,0|2,0,0]=3 1255 B10R0.4 CC(C)CNCCOCCO 34a_100000210953_100000692535 [0,1,0,0,0,0|2,0,0]=3 1256 B10R0.4 CC(C)CNCCOCCO 34a_100000211614_100000210624 [0,1,0,0,0,0|2,0,0]=3 1257 B10R0.4 CC(C)CNCCOCCO 34a_100015185251_100000211926 [0,1,0,0,0,0|2,0,0]=3 1258 B10R0.4 CC(C)CNCCSCCO 2230a_100011219999_100000210760 [0,1,0,0,0,0|2,1,0]=4 1259 B10R0.4 CC(C)CNCCSCCO 270004a_100011219999_100000210432 [0,1,0,0,0,0|2,1,0]=4 1260 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,1,0,0,0,0|3,0,0]=4 1261 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,1,0,0,0,0|3,0,0]=4 1262 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,1,0,0,0,0|3,0,0]=4 1263 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,1,0,0,0,0|3,0,0]=4 1264 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,1,0,0,0,0|3,0,0]=4 1265 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,1,0,0,0,0|3,0,0]=4 1266 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,1,0,0,0,0|3,0,0]=4 1267 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,1,0,0,0,0|3,0,0]=4 1268 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,1,0,0,0,0|2,0,0]=3 1269 B10R0.4 CC(C)COCCOCC#N 7a_100000703358_100011215382 [0,1,0,0,0,0|2,0,1]=4 1270 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [0,1,0,0,0,0|1,0,2]=4 1271 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [0,1,0,0,0,0|1,0,2]=4 1272 B10R0.4 CC(C)COCCOCCBr 34a_100000692535_100000210624 [0,1,0,0,0,0|2,0,0]=3 1273 B10R0.4 CC(C)COCCOCCBr 7a_100000692535_100000210760 [0,1,0,0,0,0|2,0,0]=3 1274 B10R0.4 CC(C)COCCOCCCl 34a_100011215305_100000210624 [0,1,0,0,0,0|2,0,0]=3 1275 B10R0.4 CC(C)COCCOCCCl 7a_100011215305_100000210760 [0,1,0,0,0,0|2,0,0]=3 1276 B10R0.4 CC(C)COCCOCCF 34a_100000703358_100011217306 [0,1,0,0,0,0|2,0,0]=3 1277 B10R0.4 CC(C)COCCOCCF 34a_200015357709_100000210624 [0,1,0,0,0,0|2,0,0]=3 1278 B10R0.4 CC(C)COCCOCCF 7a_100000703358_100011217306 [0,1,0,0,0,0|2,0,0]=3 1279 B10R0.4 CC(C)COCCOCCF 7a_200015357709_100000210760 [0,1,0,0,0,0|2,0,0]=3 1280 B10R0.4 CC(C)COCCOCCI 34a_100012149058_100000210624 [0,1,0,0,0,0|2,0,0]=3 1281 B10R0.4 CC(C)COCCOCCI 7a_100012149058_100000210760 [0,1,0,0,0,0|2,0,0]=3 1282 B10R0.4 CC(C)COCCOCCN 34a_100000211614_100000210624 [0,1,0,0,0,0|2,0,0]=3 1283 B10R0.4 CC(C)COCCOCCO 34a_100000210257_100000692535 [0,1,0,0,0,0|1,0,0]=2 1284 B10R0.4 CC(C)COCCOCCO 34a_100000703358_100000211926 [0,1,0,0,0,0|1,0,0]=2 1285 B10R0.4 CC(C)COCCOCCO 7a_100000703358_100000211926 [0,1,0,0,0,0|1,0,0]=2 1286 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,1,0,0,0,0|2,1,0]=4 1287 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,1,0,0,0,0|2,1,0]=4 1288 B10R0.4 CC(C)CSCCOCCF 34a_200000230437_100011217306 [0,1,0,0,0,0|2,1,0]=4 1289 B10R0.4 CC(C)CSCCOCCF 7a_200000230437_100011217306 [0,1,0,0,0,0|2,1,0]=4 1290 B10R0.4 CC(C)CSCCOCCO 34a_200000230437_100000211926 [0,1,0,0,0,0|1,1,0]=3 1291 B10R0.4 CC(C)CSCCOCCO 62a_100000210624_100011215305 [0,1,0,0,0,0|1,1,0]=3 1292 B10R0.4 CC(C)CSCCOCCO 62a_100011215305_100000210760 [0,1,0,0,0,0|1,1,0]=3 1293 B10R0.4 CC(C)CSCCOCCO 7a_200000230437_100000211926 [0,1,0,0,0,0|1,1,0]=3 1294 B10R0.4 CC(C)NCCCOCCO 34a_100000182298_100000211926 [0,1,0,0,0,0|3,0,0]=4 1295 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,1,0,0,0,0|3,0,0]=4 1296 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,1,0,0,0,0|2,0,0]=3 1297 B10R0.4 CC(F)COCCOCCO 34a_100015925927_100000692535 [0,1,0,0,0,0|1,0,0]=2 1298 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,1,0,0,0,0|3,0,0]=4 1299 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,1,0,0,0,0|3,0,0]=4 1300 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,1,0,0,0,0|3,0,0]=4 1301 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,1,0,0,0,0|3,0,0]=4 1302 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,1,0,0,0,0|3,0,0]=4 1303 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,1,0,0,0,0|3,0,0]=4 1304 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,1,0,0,0,0|3,0,0]=4 1305 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,1,0,0,0,0|3,0,0]=4 1306 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|3,0,0]=4 1307 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,1,0,0,0,0|2,0,0]=3 1308 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,1,0,0,0,0|2,0,0]=3 1309 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|2,0,0]=3 1310 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,1,0,0,0,0|2,0,0]=3 1311 B10R0.4 CC(O)CNCCOCC#N 2230a_100000210904_200000047693 [0,1,0,0,0,0|2,0,1]=4 1312 B10R0.4 CC(O)CNCCOCCO 2230a_100000210904_100011215305 [0,1,0,0,0,0|1,0,0]=2 1313 B10R0.4 CC(O)CNCCOCCO 2230a_100000211614_100011218427 [0,1,0,0,0,0|1,0,0]=2 1314 B10R0.4 CC(O)CNCCOCCO 34a_100000210904_100000692535 [0,1,0,0,0,0|1,0,0]=2 1315 B10R0.4 CC(O)CNCCOCCO 34a_100000211614_100011218427 [0,1,0,0,0,0|1,0,0]=2 1316 B10R0.4 CC(O)CNCCSCCO 2230a_100011219999_100011218427 [0,1,0,0,0,0|1,1,0]=3 1317 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,1,0,0,0,0|2,0,0]=3 1318 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,1,0,0,0,0|2,0,0]=3 1319 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,1,0,0,0,0|2,0,0]=3 1320 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,1,0,0,0,0|2,0,0]=3 1321 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,1,0,0,0,0|2,0,0]=3 1322 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,1,0,0,0,0|2,0,0]=3 1323 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,1,0,0,0,0|2,0,0]=3 1324 B10R0.4 CC(O)COCCOCCBr 34a_100000692535_100011218427 [0,1,0,0,0,0|1,0,0]=2 1325 B10R0.4 CC(O)COCCOCCBr 7a_100000692535_100011218427 [0,1,0,0,0,0|1,0,0]=2 1326 B10R0.4 CC(O)COCCOCCCl 34a_100011215305_100011218427 [0,1,0,0,0,0|1,0,0]=2 1327 B10R0.4 CC(O)COCCOCCCl 7a_100011215305_100011218427 [0,1,0,0,0,0|1,0,0]=2 1328 B10R0.4 CC(O)COCCOCCF 34a_200015357709_100011218427 [0,1,0,0,0,0|1,0,0]=2 1329 B10R0.4 CC(O)COCCOCCF 7a_200015357709_100011218427 [0,1,0,0,0,0|1,0,0]=2 1330 B10R0.4 CC(O)COCCOCCI 34a_100012149058_100011218427 [0,1,0,0,0,0|1,0,0]=2 1331 B10R0.4 CC(O)COCCOCCI 7a_100012149058_100011218427 [0,1,0,0,0,0|1,0,0]=2 1332 B10R0.4 CC(O)COCCOCCN 34a_100000211614_100011218427 [0,1,0,0,0,0|1,0,0]=2 1333 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,1,0,0,0,0|2,1,0]=4 1334 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,1,0,0,0,0|2,1,0]=4 1335 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,1,0,0,0,0|1,1,0]=3 1336 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,1,0,0,0,0|1,1,0]=3 1337 B10R0.4 CC(O)CSCCOCC#N 62a_100011218427_200000047693 [0,1,0,0,0,0|1,1,1]=4 1338 B10R0.4 CC(O)CSCCOCC#N 62a_200000047693_100011218427 [0,1,0,0,0,0|1,1,1]=4 1339 B10R0.4 CC(O)CSCCOCCO 62a_100011215305_100011218427 [0,1,0,0,0,0|0,1,0]=2 1340 B10R0.4 CC(O)CSCCOCCO 62a_100011218427_100011215305 [0,1,0,0,0,0|0,1,0]=2 1341 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [0,1,0,0,0,0|2,0,1]=4 1342 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [0,1,0,0,0,0|2,0,1]=4 1343 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [0,1,0,0,0,0|2,0,1]=4 1344 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [0,1,0,0,0,0|2,0,1]=4 1345 B10R0.4 CCC#CCCOCC(C)O 34a_100000036655_100011218427 [0,1,0,0,0,0|2,0,1]=4 1346 B10R0.4 CCC#CCCOCC(C)O 7a_100000036655_100011218427 [0,1,0,0,0,0|2,0,1]=4 1347 B10R0.4 CCC#CCCOC[C@@H](C)O 34a_100000036655_100009817552 [0,1,0,0,0,0|2,0,1]=4 1348 B10R0.4 CCC#CCCOC[C@@H](C)O 7a_100000036655_100009817552 [0,1,0,0,0,0|2,0,1]=4 1349 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [0,1,0,0,0,0|2,0,1]=4 1350 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [0,1,0,0,0,0|2,0,1]=4 1351 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [0,1,0,0,0,0|2,0,1]=4 1352 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [0,1,0,0,0,0|2,0,1]=4 1353 B10R0.4 CCCC#CCOCC(C)O 34a_100000034806_100011218427 [0,1,0,0,0,0|2,0,1]=4 1354 B10R0.4 CCCC#CCOCC(C)O 7a_100000034806_100011218427 [0,1,0,0,0,0|2,0,1]=4 1355 B10R0.4 CCCC#CCOC[C@@H](C)O 34a_100000034806_100009817552 [0,1,0,0,0,0|2,0,1]=4 1356 B10R0.4 CCCC#CCOC[C@@H](C)O 7a_100000034806_100009817552 [0,1,0,0,0,0|2,0,1]=4 1357 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,1,0,0,0,0|3,0,0]=4 1358 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,1,0,0,0,0|3,0,0]=4 1359 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,1,0,0,0,0|3,0,0]=4 1360 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,1,0,0,0,0|3,0,0]=4 1361 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,1,0,0,0,0|3,0,0]=4 1362 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,1,0,0,0,0|3,0,0]=4 1363 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,1,0,0,0,0|3,0,0]=4 1364 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,1,0,0,0,0|3,0,0]=4 1365 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,1,0,0,0,0|3,0,0]=4 1366 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,1,0,0,0,0|2,0,0]=3 1367 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,1,0,0,0,0|2,0,0]=3 1368 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,1,0,0,0,0|3,0,0]=4 1369 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,1,0,0,0,0|3,0,0]=4 1370 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,1,0,0,0,0|3,0,0]=4 1371 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,1,0,0,0,0|3,0,0]=4 1372 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,1,0,0,0,0|3,0,0]=4 1373 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,1,0,0,0,0|2,0,0]=3 1374 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,1,0,0,0,0|2,0,0]=3 1375 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,1,0,0,0,0|2,1,0]=4 1376 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,1,0,0,0,0|2,1,0]=4 1377 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,1,0,0,0,0|2,1,0]=4 1378 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,1,0,0,0,0|2,1,0]=4 1379 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,1,0,0,0,0|2,0,1]=4 1380 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,1,0,0,0,0|3,0,0]=4 1381 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,1,0,0,0,0|3,0,0]=4 1382 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,1,0,0,0,0|3,0,0]=4 1383 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,1,0,0,0,0|3,0,0]=4 1384 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,1,0,0,0,0|2,0,1]=4 1385 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [0,1,0,0,0,0|3,0,0]=4 1386 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [0,1,0,0,0,0|3,0,0]=4 1387 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [0,1,0,0,0,0|3,0,0]=4 1388 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [0,1,0,0,0,0|3,0,0]=4 1389 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [0,1,0,0,0,0|3,0,0]=4 1390 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [0,1,0,0,0,0|3,0,0]=4 1391 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,1,0,0,0,0|2,0,0]=3 1392 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,1,0,0,0,0|2,0,0]=3 1393 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,1,0,0,0,0|2,0,0]=3 1394 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,1,0,0,0,0|2,0,0]=3 1395 B10R0.4 CCCOCCNCC(F)F 2230a_100161115042_100011934356 [0,1,0,0,0,0|3,0,0]=4 1396 B10R0.4 CCCOCCNCC(F)F 34a_100000765723_100011215938 [0,1,0,0,0,0|3,0,0]=4 1397 B10R0.4 CCCOCCNCC(F)F 34a_100161115042_100011934356 [0,1,0,0,0,0|3,0,0]=4 1398 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,1,0,0,0,0|2,0,0]=3 1399 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,1,0,0,0,0|2,0,0]=3 1400 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,1,0,0,0,0|1,0,2]=4 1401 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,1,0,0,0,0|1,0,2]=4 1402 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,1,0,0,0,0|1,0,2]=4 1403 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,1,0,0,0,0|1,0,2]=4 1404 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,1,0,0,0,0|1,0,2]=4 1405 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [0,1,0,0,0,0|2,0,0]=3 1406 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [0,1,0,0,0,0|2,0,0]=3 1407 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [0,1,0,0,0,0|2,0,0]=3 1408 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [0,1,0,0,0,0|2,0,0]=3 1409 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [0,1,0,0,0,0|2,0,0]=3 1410 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [0,1,0,0,0,0|2,0,0]=3 1411 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [0,1,0,0,0,0|2,0,0]=3 1412 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,1,0,0,0,0|1,0,0]=2 1413 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,1,0,0,0,0|1,0,0]=2 1414 B10R0.4 CCCOCCOCC(F)F 34a_100000210258_200012177212 [0,1,0,0,0,0|2,0,0]=3 1415 B10R0.4 CCCOCCOCC(F)F 34a_100000704375_100000210303 [0,1,0,0,0,0|2,0,0]=3 1416 B10R0.4 CCCOCCOCC(F)F 34a_100000743014_100011215938 [0,1,0,0,0,0|2,0,0]=3 1417 B10R0.4 CCCOCCOCC(F)F 34a_100000752267_100011934356 [0,1,0,0,0,0|2,0,0]=3 1418 B10R0.4 CCCOCCOCC(F)F 7a_100000704375_100000210303 [0,1,0,0,0,0|2,0,0]=3 1419 B10R0.4 CCCOCCOCC(F)F 7a_100000752267_100011934356 [0,1,0,0,0,0|2,0,0]=3 1420 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [0,1,0,0,0,0|2,0,0]=3 1421 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [0,1,0,0,0,0|2,0,0]=3 1422 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,1,0,0,0,0|1,0,0]=2 1423 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,1,0,0,0,0|1,0,0]=2 1424 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,1,0,0,0,0|2,0,1]=4 1425 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [0,1,0,0,0,0|2,1,0]=4 1426 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [0,1,0,0,0,0|2,1,0]=4 1427 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [0,1,0,0,0,0|2,1,0]=4 1428 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [0,1,0,0,0,0|2,1,0]=4 1429 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,1,0,0,0,0|1,1,0]=3 1430 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,1,0,0,0,0|1,1,0]=3 1431 B10R0.4 CCCOCCSCC(F)F 62a_100011215938_100011934356 [0,1,0,0,0,0|2,1,0]=4 1432 B10R0.4 CCCOCCSCC(F)F 62a_100011934356_100011215938 [0,1,0,0,0,0|2,1,0]=4 1433 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,1,0,0,0,0|1,1,0]=3 1434 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,1,0,0,0,0|1,1,0]=3 1435 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,1,0,0,0,0|2,1,0]=4 1436 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,1,0,0,0,0|2,1,0]=4 1437 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [0,1,0,0,0,0|2,1,0]=4 1438 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [0,1,0,0,0,0|2,1,0]=4 1439 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,1,0,0,0,0|1,1,0]=3 1440 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,1,0,0,0,0|1,1,0]=3 1441 B10R0.4 CCCSCCOCC(F)F 34a_200000230433_100011934356 [0,1,0,0,0,0|2,1,0]=4 1442 B10R0.4 CCCSCCOCC(F)F 62a_100000210303_200012177212 [0,1,0,0,0,0|2,1,0]=4 1443 B10R0.4 CCCSCCOCC(F)F 62a_200012177212_100000210303 [0,1,0,0,0,0|2,1,0]=4 1444 B10R0.4 CCCSCCOCC(F)F 7a_200000230433_100011934356 [0,1,0,0,0,0|2,1,0]=4 1445 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,1,0,0,0,0|1,1,0]=3 1446 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,1,0,0,0,0|1,1,0]=3 1447 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,1,0,0,0,0|3,0,0]=4 1448 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,1,0,0,0,0|3,0,0]=4 1449 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,1,0,0,0,0|3,0,0]=4 1450 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,1,0,0,0,0|3,0,0]=4 1451 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,1,0,0,0,0|3,0,0]=4 1452 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,1,0,0,0,0|3,0,0]=4 1453 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,1,0,0,0,0|3,0,0]=4 1454 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,1,0,0,0,0|3,0,0]=4 1455 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,1,0,0,0,0|3,0,0]=4 1456 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,1,0,0,0,0|3,0,0]=4 1457 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,1,0,0,0,0|3,0,0]=4 1458 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,1,0,0,0,0|3,0,0]=4 1459 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,1,0,0,0,0|3,0,0]=4 1460 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,1,0,0,0,0|3,0,0]=4 1461 B10R0.4 CSCOCCOCC(C)C 34a_100000703358_100011218213 [0,1,0,0,0,0|3,0,0]=4 1462 B10R0.4 CSCOCCOCC(F)F 34a_100000704375_100011218213 [0,1,0,0,0,0|3,0,0]=4 1463 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,1,0,0,0,0|3,0,0]=4 1464 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,1,0,0,0,0|2,0,0]=3 1465 B10R0.4 C[C@@H](Cl)COCCOCCO 34a_100016084084_100000692535 [0,1,0,0,0,0|1,0,0]=2 1466 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,1,0,0,0,0|3,0,0]=4 1467 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,1,0,0,0,0|2,0,0]=3 1468 B10R0.4 C[C@@H](N)COCCOCCO 34a_100000737577_100000692535 [0,1,0,0,0,0|1,0,0]=2 1469 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,1,0,0,0,0|2,0,0]=3 1470 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,1,0,0,0,0|2,0,0]=3 1471 B10R0.4 C[C@@H](O)CNCCOCCO 2230a_100000211614_100009817552 [0,1,0,0,0,0|1,0,0]=2 1472 B10R0.4 C[C@@H](O)CNCCOCCO 34a_100000211614_100009817552 [0,1,0,0,0,0|1,0,0]=2 1473 B10R0.4 C[C@@H](O)CNCCSCCO 2230a_100011219999_100009817552 [0,1,0,0,0,0|1,1,0]=3 1474 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,1,0,0,0,0|2,0,0]=3 1475 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,1,0,0,0,0|2,0,0]=3 1476 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,1,0,0,0,0|2,0,0]=3 1477 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,1,0,0,0,0|2,0,0]=3 1478 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,1,0,0,0,0|2,0,0]=3 1479 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,1,0,0,0,0|2,0,0]=3 1480 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,1,0,0,0,0|2,0,0]=3 1481 B10R0.4 C[C@@H](O)COCCOCCBr 34a_100000692535_100009817552 [0,1,0,0,0,0|1,0,0]=2 1482 B10R0.4 C[C@@H](O)COCCOCCBr 7a_100000692535_100009817552 [0,1,0,0,0,0|1,0,0]=2 1483 B10R0.4 C[C@@H](O)COCCOCCCl 34a_100011215305_100009817552 [0,1,0,0,0,0|1,0,0]=2 1484 B10R0.4 C[C@@H](O)COCCOCCCl 7a_100011215305_100009817552 [0,1,0,0,0,0|1,0,0]=2 1485 B10R0.4 C[C@@H](O)COCCOCCF 34a_200015357709_100009817552 [0,1,0,0,0,0|1,0,0]=2 1486 B10R0.4 C[C@@H](O)COCCOCCF 7a_200015357709_100009817552 [0,1,0,0,0,0|1,0,0]=2 1487 B10R0.4 C[C@@H](O)COCCOCCI 34a_100012149058_100009817552 [0,1,0,0,0,0|1,0,0]=2 1488 B10R0.4 C[C@@H](O)COCCOCCI 7a_100012149058_100009817552 [0,1,0,0,0,0|1,0,0]=2 1489 B10R0.4 C[C@@H](O)COCCOCCN 34a_100000211614_100009817552 [0,1,0,0,0,0|1,0,0]=2 1490 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,1,0,0,0,0|2,1,0]=4 1491 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,1,0,0,0,0|2,1,0]=4 1492 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,1,0,0,0,0|1,1,0]=3 1493 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,1,0,0,0,0|1,1,0]=3 1494 B10R0.4 C[C@@H](O)CSCCOCC#N 62a_100009817552_200000047693 [0,1,0,0,0,0|1,1,1]=4 1495 B10R0.4 C[C@@H](O)CSCCOCC#N 62a_200000047693_100009817552 [0,1,0,0,0,0|1,1,1]=4 1496 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100009817552_100011215305 [0,1,0,0,0,0|0,1,0]=2 1497 B10R0.4 C[C@@H](O)CSCCOCCO 62a_100011215305_100009817552 [0,1,0,0,0,0|0,1,0]=2 1498 B10R0.4 FC(F)COCCCCCBr 34a_100000746331_100011934356 [0,1,0,0,0,0|3,0,0]=4 1499 B10R0.4 FC(F)COCCCCCBr 7a_100000746331_100011934356 [0,1,0,0,0,0|3,0,0]=4 1500 B10R0.4 FC(F)COCCCCCCl 34a_100000746330_100011934356 [0,1,0,0,0,0|3,0,0]=4 1501 B10R0.4 FC(F)COCCCCCCl 7a_100000746330_100011934356 [0,1,0,0,0,0|3,0,0]=4 1502 B10R0.4 FC(F)COCCCCCI 34a_200012148887_100011934356 [0,1,0,0,0,0|3,0,0]=4 1503 B10R0.4 FC(F)COCCCCCI 7a_200012148887_100011934356 [0,1,0,0,0,0|3,0,0]=4 1504 B10R0.4 FC(F)COCCOCCBr 34a_100000211926_200012177212 [0,1,0,0,0,0|2,0,0]=3 1505 B10R0.4 FC(F)COCCOCCBr 34a_100000692535_100011934356 [0,1,0,0,0,0|2,0,0]=3 1506 B10R0.4 FC(F)COCCOCCBr 7a_100000692535_100011934356 [0,1,0,0,0,0|2,0,0]=3 1507 B10R0.4 FC(F)COCCOCCCl 34a_100011215305_100011934356 [0,1,0,0,0,0|2,0,0]=3 1508 B10R0.4 FC(F)COCCOCCCl 7a_100011215305_100011934356 [0,1,0,0,0,0|2,0,0]=3 1509 B10R0.4 FC(F)COCCOCCI 34a_100012149058_100011934356 [0,1,0,0,0,0|2,0,0]=3 1510 B10R0.4 FC(F)COCCOCCI 7a_100012149058_100011934356 [0,1,0,0,0,0|2,0,0]=3 1511 B10R0.4 FCCCCCOCC(F)F 34a_100000743014_100000729378 [0,1,0,0,0,0|3,0,0]=4 1512 B10R0.4 FCCNCCOCC(F)F 34a_100000724931_200012177212 [0,1,0,0,0,0|3,0,0]=4 1513 B10R0.4 FCCOCCOCC(F)F 34a_100000704375_100011217306 [0,1,0,0,0,0|2,0,0]=3 1514 B10R0.4 FCCOCCOCC(F)F 34a_200015357709_100011934356 [0,1,0,0,0,0|2,0,0]=3 1515 B10R0.4 FCCOCCOCC(F)F 7a_100000704375_100011217306 [0,1,0,0,0,0|2,0,0]=3 1516 B10R0.4 FCCOCCOCC(F)F 7a_200015357709_100011934356 [0,1,0,0,0,0|2,0,0]=3 1517 B10R0.4 FCCSCCOCC(F)F 62a_100011217306_200012177212 [0,1,0,0,0,0|2,1,0]=4 1518 B10R0.4 FCCSCCOCC(F)F 62a_200012177212_100011217306 [0,1,0,0,0,0|2,1,0]=4 1519 B10R0.4 N#CCOCCOCC(F)F 7a_100000704375_100011215382 [0,1,0,0,0,0|2,0,1]=4 1520 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,1,0,0,0,0|1,0,2]=4 1521 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,1,0,0,0,0|1,0,2]=4 1522 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [0,1,0,0,0,0|1,0,2]=4 1523 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [0,1,0,0,0,0|1,0,2]=4 1524 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [0,1,0,0,0,0|1,0,2]=4 1525 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,1,0,0,0,0|1,0,2]=4 1526 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,1,0,0,0,0|1,0,2]=4 1527 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,1,0,0,0,0|1,0,2]=4 1528 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,1,0,0,0,0|1,0,2]=4 1529 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,1,0,0,0,0|1,0,2]=4 1530 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,1,0,0,0,0|1,0,2]=4 1531 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,1,0,0,0,0|1,0,2]=4 1532 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,1,0,0,0,0|1,0,2]=4 1533 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,1,0,0,0,0|1,0,2]=4 1534 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,1,0,0,0,0|1,0,2]=4 1535 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,1,0,0,0,0|1,0,2]=4 1536 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,1,0,0,0,0|0,1,2]=4 1537 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,1,0,0,0,0|0,1,2]=4 1538 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [0,1,0,0,0,0|0,1,2]=4 1539 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [0,1,0,0,0,0|0,1,2]=4 1540 B10R0.4 NCCCCCOCC(F)F 34a_100000762737_100011934356 [0,1,0,0,0,0|3,0,0]=4 1541 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,1,0,0,0,0|3,0,0]=4 1542 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,1,0,0,0,0|1,0,2]=4 1543 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,1,0,0,0,0|1,0,2]=4 1544 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,1,0,0,0,0|1,0,2]=4 1545 B10R0.4 NCCOCCOCC(F)F 34a_100000210304_200012177212 [0,1,0,0,0,0|2,0,0]=3 1546 B10R0.4 NCCOCCOCC(F)F 34a_100000211614_100011934356 [0,1,0,0,0,0|2,0,0]=3 1547 B10R0.4 NCCOCCOC[N+](=O)[O-] 34a_100000211614_100000761209 [0,1,0,0,0,0|2,0,1]=4 1548 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,1,0,0,0,0|2,0,1]=4 1549 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,1,0,0,0,0|1,0,1]=3 1550 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,1,0,0,0,0|2,0,1]=4 1551 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,1,0,0,0,0|1,0,1]=3 1552 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,1,0,0,0,0|2,0,1]=4 1553 B10R0.4 O=C([O-])CNCCOCCO 34a_100000211614_100020667443 [0,1,0,0,0,0|1,0,2]=4 1554 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,1,0,0,0,0|1,0,2]=4 1555 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,1,0,0,0,0|1,0,2]=4 1556 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,1,0,0,0,0|1,0,2]=4 1557 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,1,0,0,0,0|1,0,2]=4 1558 B10R0.4 O=C([O-])CSCCOCCO 62a_100011215305_100020667443 [0,1,0,0,0,0|0,1,2]=4 1559 B10R0.4 O=C([O-])CSCCOCCO 62a_100020667443_100011215305 [0,1,0,0,0,0|0,1,2]=4 1560 B10R0.4 O=CCOCCOCC(F)F 34a_100000704375_200009817547 [0,1,0,0,0,0|1,0,2]=4 1561 B10R0.4 O=CCOCCOCC(F)F 7a_100000704375_200015260668 [0,1,0,0,0,0|1,0,2]=4 1562 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,1,0,0,0,0|2,0,1]=4 1563 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,1,0,0,0,0|2,0,1]=4 1564 B10R0.4 O=[N+]([O-])CNCCOCCO 34a_100000211614_100000761209 [0,1,0,0,0,0|2,0,1]=4 1565 B10R0.4 O=[N+]([O-])COCCOCCBr 34a_100000692535_100000761209 [0,1,0,0,0,0|2,0,1]=4 1566 B10R0.4 O=[N+]([O-])COCCOCCCl 34a_100011215305_100000761209 [0,1,0,0,0,0|2,0,1]=4 1567 B10R0.4 O=[N+]([O-])COCCOCCF 34a_200015357709_100000761209 [0,1,0,0,0,0|2,0,1]=4 1568 B10R0.4 O=[N+]([O-])COCCOCCI 34a_100012149058_100000761209 [0,1,0,0,0,0|2,0,1]=4 1569 B10R0.4 O=[N+]([O-])CSCCOCCO 62a_100011215305_100000761209 [0,1,0,0,0,0|1,1,1]=4 1570 B10R0.4 OB(O)CCCCOCCBr 34a_100000211926_200009817182 [0,1,0,0,0,0|3,0,0]=4 1571 B10R0.4 OCCCCCNCC(F)F 2230a_100000762737_100011934356 [0,1,0,0,0,0|3,0,0]=4 1572 B10R0.4 OCCCCCNCC(F)F 34a_100000762737_100011934356 [0,1,0,0,0,0|3,0,0]=4 1573 B10R0.4 OCCCCCNCC(F)F 34a_100000765723_100000746330 [0,1,0,0,0,0|3,0,0]=4 1574 B10R0.4 OCCCCCOCC(F)F 34a_100000743014_100000746330 [0,1,0,0,0,0|2,0,0]=3 1575 B10R0.4 OCCCCCSCC(F)F 62a_100000746330_100011934356 [0,1,0,0,0,0|2,1,0]=4 1576 B10R0.4 OCCCCCSCC(F)F 62a_100011934356_100000746330 [0,1,0,0,0,0|2,1,0]=4 1577 B10R0.4 OCCNCCCCB(O)O 2230a_100016997473_200009817182 [0,1,0,0,0,0|3,0,0]=4 1578 B10R0.4 OCCNCCCCB(O)O 34a_100016990907_200009817182 [0,1,0,0,0,0|3,0,0]=4 1579 B10R0.4 OCCNCCOCC(F)F 2230a_100016997473_200012177212 [0,1,0,0,0,0|2,0,0]=3 1580 B10R0.4 OCCNCCOCC(F)F 34a_100016990907_200012177212 [0,1,0,0,0,0|2,0,0]=3 1581 B10R0.4 OCCOCCNCC(F)F 2230a_100000211614_100011934356 [0,1,0,0,0,0|2,0,0]=3 1582 B10R0.4 OCCOCCNCC(F)F 34a_100000211614_100011934356 [0,1,0,0,0,0|2,0,0]=3 1583 B10R0.4 OCCOCCNCC(F)F 34a_100000765723_100000692535 [0,1,0,0,0,0|2,0,0]=3 1584 B10R0.4 OCCOCCOCC(F)F 34a_100000704375_100000211926 [0,1,0,0,0,0|1,0,0]=2 1585 B10R0.4 OCCOCCOCC(F)F 34a_100000743014_100000692535 [0,1,0,0,0,0|1,0,0]=2 1586 B10R0.4 OCCOCCOCC(F)F 7a_100000704375_100000211926 [0,1,0,0,0,0|1,0,0]=2 1587 B10R0.4 OCCOCCSCC(F)F 62a_100011215305_100011934356 [0,1,0,0,0,0|1,1,0]=3 1588 B10R0.4 OCCOCCSCC(F)F 62a_100011934356_100011215305 [0,1,0,0,0,0|1,1,0]=3 1589 B10R0.4 OCCSCCCCB(O)O 62a_100000211926_200009817182 [0,1,0,0,0,0|2,1,0]=4 1590 B10R0.4 OCCSCCCCB(O)O 62a_200009817182_100000211926 [0,1,0,0,0,0|2,1,0]=4 1591 B10R0.4 OCCSCCNCC(F)F 2230a_100011219999_100011934356 [0,1,0,0,0,0|2,1,0]=4 1592 B10R0.4 OCCSCCOCC(F)F 62a_100000211926_200012177212 [0,1,0,0,0,0|1,1,0]=3 1593 B10R0.4 OCCSCCOCC(F)F 62a_200012177212_100000211926 [0,1,0,0,0,0|1,1,0]=3 1594 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,1,0,0,0,0|0,0,2]=3 1595 B10R0.71 C#CCCCCCNCCO 2230a_100016997473_100012094781 [0,1,0,0,0,0|3,0,0]=4 1596 B10R0.71 C#CCCCCCNCCO 34a_100016990907_100012094781 [0,1,0,0,0,0|3,0,0]=4 1597 B10R0.71 C#CCCCCCOCCBr 34a_100000211926_100012094781 [0,1,0,0,0,0|3,0,0]=4 1598 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [0,1,0,0,0,0|3,0,0]=4 1599 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [0,1,0,0,0,0|3,0,0]=4 1600 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [0,1,0,0,0,0|3,0,0]=4 1601 B10R0.71 C#CCCCCCOCCF 34a_100000766912_100011217306 [0,1,0,0,0,0|3,0,0]=4 1602 B10R0.71 C#CCCCCCOCCF 7a_100000766912_100011217306 [0,1,0,0,0,0|3,0,0]=4 1603 B10R0.71 C#CCCCCCOCCN 34a_100000210304_100012094781 [0,1,0,0,0,0|3,0,0]=4 1604 B10R0.71 C#CCCCCCOCCO 34a_100000766912_100000211926 [0,1,0,0,0,0|2,0,0]=3 1605 B10R0.71 C#CCCCCCOCCO 7a_100000766912_100000211926 [0,1,0,0,0,0|2,0,0]=3 1606 B10R0.71 C#CCCCCCSCCO 62a_100000211926_100012094781 [0,1,0,0,0,0|2,1,0]=4 1607 B10R0.71 C#CCCCCCSCCO 62a_100012094781_100000211926 [0,1,0,0,0,0|2,1,0]=4 1608 B10R0.71 C#CCCCCOCCCO 34a_100000766709_100000230001 [0,1,0,0,0,0|2,0,1]=4 1609 B10R0.71 C#CCCCCOCCCO 7a_100000766709_100011215043 [0,1,0,0,0,0|2,0,1]=4 1610 B10R0.71 C#CCCCCOCCOC 34a_100000210237_100010269958 [0,1,0,0,0,0|2,0,1]=4 1611 B10R0.71 C#CCCCCOCCOC 34a_100000766709_100011201679 [0,1,0,0,0,0|2,0,1]=4 1612 B10R0.71 C#CCCCCOCCOC 7a_100000766709_100000233755 [0,1,0,0,0,0|2,0,1]=4 1613 B10R0.71 C#CCCCCOCCON 34a_100000700252_100010269958 [0,1,0,0,0,0|2,0,1]=4 1614 B10R0.71 C#CCCNCCCCCO 2230a_100000762737_100000688953 [0,1,0,0,0,0|3,0,0]=4 1615 B10R0.71 C#CCCNCCCCCO 34a_100000755551_100000746330 [0,1,0,0,0,0|3,0,0]=4 1616 B10R0.71 C#CCCNCCCCCO 34a_100000762737_100000688953 [0,1,0,0,0,0|3,0,0]=4 1617 B10R0.71 C#CCCNCCOCCC 2230a_100161115042_100000688953 [0,1,0,0,0,0|3,0,0]=4 1618 B10R0.71 C#CCCNCCOCCC 34a_100000755551_100011215938 [0,1,0,0,0,0|3,0,0]=4 1619 B10R0.71 C#CCCNCCOCCC 34a_100161115042_100000688953 [0,1,0,0,0,0|3,0,0]=4 1620 B10R0.71 C#CCCNCCOCCO 2230a_100000211614_100000688953 [0,1,0,0,0,0|2,0,0]=3 1621 B10R0.71 C#CCCNCCOCCO 34a_100000211614_100000688953 [0,1,0,0,0,0|2,0,0]=3 1622 B10R0.71 C#CCCNCCOCCO 34a_100000755551_100000692535 [0,1,0,0,0,0|2,0,0]=3 1623 B10R0.71 C#CCCNCCSCCO 2230a_100011219999_100000688953 [0,1,0,0,0,0|2,1,0]=4 1624 B10R0.71 C#CCCOCCCCCBr 34a_100000746331_100000688953 [0,1,0,0,0,0|3,0,0]=4 1625 B10R0.71 C#CCCOCCCCCBr 7a_100000746331_100000688953 [0,1,0,0,0,0|3,0,0]=4 1626 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [0,1,0,0,0,0|3,0,0]=4 1627 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [0,1,0,0,0,0|3,0,0]=4 1628 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [0,1,0,0,0,0|3,0,0]=4 1629 B10R0.71 C#CCCOCCCCCCl 34a_100000746330_100000688953 [0,1,0,0,0,0|3,0,0]=4 1630 B10R0.71 C#CCCOCCCCCCl 7a_100000746330_100000688953 [0,1,0,0,0,0|3,0,0]=4 1631 B10R0.71 C#CCCOCCCCCF 34a_100011215631_100000729378 [0,1,0,0,0,0|3,0,0]=4 1632 B10R0.71 C#CCCOCCCCCI 34a_200012148887_100000688953 [0,1,0,0,0,0|3,0,0]=4 1633 B10R0.71 C#CCCOCCCCCI 7a_200012148887_100000688953 [0,1,0,0,0,0|3,0,0]=4 1634 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [0,1,0,0,0,0|3,0,0]=4 1635 B10R0.71 C#CCCOCCCCCO 34a_100011215631_100000746330 [0,1,0,0,0,0|2,0,0]=3 1636 B10R0.71 C#CCCOCCOCC#C 34a_100000054580_100000688953 [0,1,0,0,0,0|2,0,1]=4 1637 B10R0.71 C#CCCOCCOCC#C 34a_100011215631_100010402529 [0,1,0,0,0,0|2,0,1]=4 1638 B10R0.71 C#CCCOCCOCC#C 7a_100000054580_100000688953 [0,1,0,0,0,0|2,0,1]=4 1639 B10R0.71 C#CCCOCCOCC=C 34a_100000037705_100000688953 [0,1,0,0,0,0|2,0,1]=4 1640 B10R0.71 C#CCCOCCOCC=C 7a_100000037705_100000688953 [0,1,0,0,0,0|2,0,1]=4 1641 B10R0.71 C#CCCOCCOCCBr 34a_100000692535_100000688953 [0,1,0,0,0,0|2,0,0]=3 1642 B10R0.71 C#CCCOCCOCCBr 7a_100000692535_100000688953 [0,1,0,0,0,0|2,0,0]=3 1643 B10R0.71 C#CCCOCCOCCC 34a_100000752267_100000688953 [0,1,0,0,0,0|2,0,0]=3 1644 B10R0.71 C#CCCOCCOCCC 34a_100011215631_100011215938 [0,1,0,0,0,0|2,0,0]=3 1645 B10R0.71 C#CCCOCCOCCC 7a_100000752267_100000688953 [0,1,0,0,0,0|2,0,0]=3 1646 B10R0.71 C#CCCOCCOCCCl 34a_100011215305_100000688953 [0,1,0,0,0,0|2,0,0]=3 1647 B10R0.71 C#CCCOCCOCCCl 7a_100011215305_100000688953 [0,1,0,0,0,0|2,0,0]=3 1648 B10R0.71 C#CCCOCCOCCF 34a_200015357709_100000688953 [0,1,0,0,0,0|2,0,0]=3 1649 B10R0.71 C#CCCOCCOCCF 7a_200015357709_100000688953 [0,1,0,0,0,0|2,0,0]=3 1650 B10R0.71 C#CCCOCCOCCI 34a_100012149058_100000688953 [0,1,0,0,0,0|2,0,0]=3 1651 B10R0.71 C#CCCOCCOCCI 7a_100012149058_100000688953 [0,1,0,0,0,0|2,0,0]=3 1652 B10R0.71 C#CCCOCCOCCN 34a_100000211614_100000688953 [0,1,0,0,0,0|2,0,0]=3 1653 B10R0.71 C#CCCOCCOCCO 34a_100011215631_100000692535 [0,1,0,0,0,0|1,0,0]=2 1654 B10R0.71 C#CCCOCCSCCC 34a_200000230433_100000688953 [0,1,0,0,0,0|2,1,0]=4 1655 B10R0.71 C#CCCOCCSCCC 7a_200000230433_100000688953 [0,1,0,0,0,0|2,1,0]=4 1656 B10R0.71 C#CCCSCCCCCO 62a_100000688953_100000746330 [0,1,0,0,0,0|2,1,0]=4 1657 B10R0.71 C#CCCSCCCCCO 62a_100000746330_100000688953 [0,1,0,0,0,0|2,1,0]=4 1658 B10R0.71 C#CCCSCCOCCC 62a_100000688953_100011215938 [0,1,0,0,0,0|2,1,0]=4 1659 B10R0.71 C#CCCSCCOCCC 62a_100011215938_100000688953 [0,1,0,0,0,0|2,1,0]=4 1660 B10R0.71 C#CCCSCCOCCO 62a_100000688953_100011215305 [0,1,0,0,0,0|1,1,0]=3 1661 B10R0.71 C#CCCSCCOCCO 62a_100011215305_100000688953 [0,1,0,0,0,0|1,1,0]=3 1662 B10R0.71 C#CCNCCOCCOC 2230a_100000745349_100000038162 [0,1,0,0,0,0|2,0,1]=4 1663 B10R0.71 C#CCNCCOCCOC 34a_100000212058_100000695917 [0,1,0,0,0,0|2,0,1]=4 1664 B10R0.71 C#CCNCCOCCOC 34a_100000745349_100000184674 [0,1,0,0,0,0|2,0,1]=4 1665 B10R0.71 C#CCOCCCCCCO 34a_100000210247_100000766143 [0,1,0,0,0,0|2,0,1]=4 1666 B10R0.71 C#CCOCCNCCCO 2230a_100000700922_100000230001 [0,1,0,0,0,0|2,0,1]=4 1667 B10R0.71 C#CCOCCNCCCO 34a_100000700922_100000230001 [0,1,0,0,0,0|2,0,1]=4 1668 B10R0.71 C#CCOCCNCCOC 2230a_100000209980_100010402529 [0,1,0,0,0,0|2,0,1]=4 1669 B10R0.71 C#CCOCCNCCOC 2230a_100000700922_100011201679 [0,1,0,0,0,0|2,0,1]=4 1670 B10R0.71 C#CCOCCNCCOC 34a_100000700922_100011201679 [0,1,0,0,0,0|2,0,1]=4 1671 B10R0.71 C#CCOCCOCCC#N 7a_100000054580_100000184422 [0,1,0,0,0,0|2,0,1]=4 1672 B10R0.71 C#CCOCCOCCC=C 34a_100000054580_100000754431 [0,1,0,0,0,0|2,0,1]=4 1673 B10R0.71 C#CCOCCOCCC=C 34a_100011205117_100010402529 [0,1,0,0,0,0|2,0,1]=4 1674 B10R0.71 C#CCOCCOCCC=C 7a_100000054580_100000754431 [0,1,0,0,0,0|2,0,1]=4 1675 B10R0.71 C#CCOCCOCCCBr 34a_100011217188_100010402529 [0,1,0,0,0,0|2,0,1]=4 1676 B10R0.71 C#CCOCCOCCCC 34a_100000054580_100000210210 [0,1,0,0,0,0|2,0,1]=4 1677 B10R0.71 C#CCOCCOCCCC 34a_100000210227_100010402529 [0,1,0,0,0,0|2,0,1]=4 1678 B10R0.71 C#CCOCCOCCCC 34a_100000210238_100000184674 [0,1,0,0,0,0|2,0,1]=4 1679 B10R0.71 C#CCOCCOCCCC 34a_100000210247_100000743108 [0,1,0,0,0,0|2,0,1]=4 1680 B10R0.71 C#CCOCCOCCCC 7a_100000054580_100000210211 [0,1,0,0,0,0|2,0,1]=4 1681 B10R0.71 C#CCOCCOCCCC 7a_100000210227_100010402529 [0,1,0,0,0,0|2,0,1]=4 1682 B10R0.71 C#CCOCCOCCCC 7a_100000210238_100000038162 [0,1,0,0,0,0|2,0,1]=4 1683 B10R0.71 C#CCOCCOCCCCl 34a_100000230001_100010402529 [0,1,0,0,0,0|2,0,1]=4 1684 B10R0.71 C#CCOCCOCCCF 34a_100000054580_100011934791 [0,1,0,0,0,0|2,0,1]=4 1685 B10R0.71 C#CCOCCOCCCF 34a_100000759539_100010402529 [0,1,0,0,0,0|2,0,1]=4 1686 B10R0.71 C#CCOCCOCCCF 7a_100000054580_100011934791 [0,1,0,0,0,0|2,0,1]=4 1687 B10R0.71 C#CCOCCOCCCN 34a_100000182051_100010402529 [0,1,0,0,0,0|2,0,1]=4 1688 B10R0.71 C#CCOCCOCCCO 34a_100000054580_100000230001 [0,1,0,0,0,0|1,0,1]=3 1689 B10R0.71 C#CCOCCOCCCO 7a_100000054580_100011215043 [0,1,0,0,0,0|1,0,1]=3 1690 B10R0.71 C#CCOCCOCCNC 2230a_100000056377_200000210301 [0,1,0,0,0,0|2,0,1]=4 1691 B10R0.71 C#CCOCCOCCNC 2230a_106832991635_100010408581 [0,1,0,0,0,0|2,0,1]=4 1692 B10R0.71 C#CCOCCOCCNC 34a_100000056377_200000210301 [0,1,0,0,0,0|2,0,1]=4 1693 B10R0.71 C#CCOCCOCCNC 34a_100000228057_100000184674 [0,1,0,0,0,0|2,0,1]=4 1694 B10R0.71 C#CCOCCOCCNC 34a_100102657272_100010408581 [0,1,0,0,0,0|2,0,1]=4 1695 B10R0.71 C#CCOCCOCCNC 7a_106832991635_100010408581 [0,1,0,0,0,0|2,0,1]=4 1696 B10R0.71 C#CCOCCOCCN[13CH3] 2230a_100000056377_200025704644 [0,1,0,0,0,0|2,0,1]=4 1697 B10R0.71 C#CCOCCOCCN[13CH3] 34a_100000056377_200025704644 [0,1,0,0,0,0|2,0,1]=4 1698 B10R0.71 C#CCOCCOCCOC 34a_100000041007_200000210301 [0,1,0,0,0,0|1,0,1]=3 1699 B10R0.71 C#CCOCCOCCOC 34a_100000054580_100011201679 [0,1,0,0,0,0|1,0,1]=3 1700 B10R0.71 C#CCOCCOCCOC 34a_100000210237_100010402529 [0,1,0,0,0,0|1,0,1]=3 1701 B10R0.71 C#CCOCCOCCOC 34a_100000210247_100000695917 [0,1,0,0,0,0|1,0,1]=3 1702 B10R0.71 C#CCOCCOCCOC 34a_100011215163_100000184674 [0,1,0,0,0,0|1,0,1]=3 1703 B10R0.71 C#CCOCCOCCOC 34a_100138415774_100010408581 [0,1,0,0,0,0|1,0,1]=3 1704 B10R0.71 C#CCOCCOCCOC 7a_100000041007_200000210301 [0,1,0,0,0,0|1,0,1]=3 1705 B10R0.71 C#CCOCCOCCOC 7a_100000054580_100000233755 [0,1,0,0,0,0|1,0,1]=3 1706 B10R0.71 C#CCOCCOCCOC 7a_100011215163_100000038162 [0,1,0,0,0,0|1,0,1]=3 1707 B10R0.71 C#CCOCCOCCON 34a_100000700252_100010402529 [0,1,0,0,0,0|1,0,1]=3 1708 B10R0.71 C#CCOCCOCCO[13CH3] 34a_100000041007_200025704644 [0,1,0,0,0,0|1,0,1]=3 1709 B10R0.71 C#CCOCCOCCO[13CH3] 7a_100000041007_200025704644 [0,1,0,0,0,0|1,0,1]=3 1710 B10R0.71 C#CCOCCOCCSC 34a_100000054580_100000212216 [0,1,0,0,0,0|1,1,1]=4 1711 B10R0.71 C#CCOCCOCCSC 34a_100000230434_100010402529 [0,1,0,0,0,0|1,1,1]=4 1712 B10R0.71 C#CCOCCOCCSC 62a_100010408581_200000210301 [0,1,0,0,0,0|1,1,1]=4 1713 B10R0.71 C#CCOCCOCCSC 62a_200000210301_100010408581 [0,1,0,0,0,0|1,1,1]=4 1714 B10R0.71 C#CCOCCOCCSC 7a_100000054580_100000212216 [0,1,0,0,0,0|1,1,1]=4 1715 B10R0.71 C#CCOCCOCCSC 7a_100000230434_100010402529 [0,1,0,0,0,0|1,1,1]=4 1716 B10R0.71 C#CCOCCOCCS[13CH3] 62a_100010408581_200025704644 [0,1,0,0,0,0|1,1,1]=4 1717 B10R0.71 C#CCOCCOCCS[13CH3] 62a_200025704644_100010408581 [0,1,0,0,0,0|1,1,1]=4 1718 B10R0.71 C#CCOCCSCCCO 62a_100010402529_100011215043 [0,1,0,0,0,0|1,1,1]=4 1719 B10R0.71 C#CCOCCSCCCO 62a_100011215043_100010402529 [0,1,0,0,0,0|1,1,1]=4 1720 B10R0.71 C#CCOCCSCCOC 62a_100000233755_100010402529 [0,1,0,0,0,0|1,1,1]=4 1721 B10R0.71 C#CCOCCSCCOC 62a_100010402529_100000233755 [0,1,0,0,0,0|1,1,1]=4 1722 B10R0.71 C#CCSCCOCCOC 62a_100000038162_100000695917 [0,1,0,0,0,0|1,1,1]=4 1723 B10R0.71 C/C=C/CNCCOCCO 34a_100000211614_100102629194 [0,1,0,0,0,0|2,0,1]=4 1724 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [0,1,0,0,0,0|2,0,1]=4 1725 B10R0.71 C/C=C/COCCOCCBr 34a_100000692535_100102629194 [0,1,0,0,0,0|2,0,1]=4 1726 B10R0.71 C/C=C/COCCOCCBr 7a_100000692535_100102629194 [0,1,0,0,0,0|2,0,1]=4 1727 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [0,1,0,0,0,0|2,0,1]=4 1728 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [0,1,0,0,0,0|2,0,1]=4 1729 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [0,1,0,0,0,0|2,0,1]=4 1730 B10R0.71 C/C=C/COCCOCCCl 34a_100011215305_100102629194 [0,1,0,0,0,0|2,0,1]=4 1731 B10R0.71 C/C=C/COCCOCCCl 7a_100011215305_100102629194 [0,1,0,0,0,0|2,0,1]=4 1732 B10R0.71 C/C=C/COCCOCCF 34a_200015357709_100102629194 [0,1,0,0,0,0|2,0,1]=4 1733 B10R0.71 C/C=C/COCCOCCF 7a_200015357709_100102629194 [0,1,0,0,0,0|2,0,1]=4 1734 B10R0.71 C/C=C/COCCOCCI 34a_100012149058_100102629194 [0,1,0,0,0,0|2,0,1]=4 1735 B10R0.71 C/C=C/COCCOCCI 7a_100012149058_100102629194 [0,1,0,0,0,0|2,0,1]=4 1736 B10R0.71 C/C=C/COCCOCCN 34a_100000211614_100102629194 [0,1,0,0,0,0|2,0,1]=4 1737 B10R0.71 C/C=C/COCCOCCO 34a_100016270725_100000692535 [0,1,0,0,0,0|1,0,1]=3 1738 B10R0.71 C/C=C/CSCCOCCO 62a_100011215305_100102629194 [0,1,0,0,0,0|1,1,1]=4 1739 B10R0.71 C/C=C/CSCCOCCO 62a_100102629194_100011215305 [0,1,0,0,0,0|1,1,1]=4 1740 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [0,1,0,0,0,0|3,0,0]=4 1741 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [0,1,0,0,0,0|3,0,0]=4 1742 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [0,1,0,0,0,0|3,0,0]=4 1743 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [0,1,0,0,0,0|3,0,0]=4 1744 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [0,1,0,0,0,0|3,0,0]=4 1745 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [0,1,0,0,0,0|3,0,0]=4 1746 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [0,1,0,0,0,0|3,0,0]=4 1747 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [0,1,0,0,0,0|3,0,0]=4 1748 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [0,1,0,0,0,0|3,0,0]=4 1749 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [0,1,0,0,0,0|2,0,0]=3 1750 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [0,1,0,0,0,0|2,0,0]=3 1751 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [0,1,0,0,0,0|2,1,0]=4 1752 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [0,1,0,0,0,0|2,1,0]=4 1753 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [0,1,0,0,0,0|2,0,1]=4 1754 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [0,1,0,0,0,0|2,0,1]=4 1755 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [0,1,0,0,0,0|2,0,1]=4 1756 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [0,1,0,0,0,0|2,0,1]=4 1757 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [0,1,0,0,0,0|2,0,1]=4 1758 B10R0.71 C=CCCCCOCCON 34a_100000700252_100011215482 [0,1,0,0,0,0|2,0,1]=4 1759 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [0,1,0,0,0,0|3,0,0]=4 1760 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [0,1,0,0,0,0|3,0,0]=4 1761 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [0,1,0,0,0,0|3,0,0]=4 1762 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [0,1,0,0,0,0|3,0,0]=4 1763 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [0,1,0,0,0,0|3,0,0]=4 1764 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [0,1,0,0,0,0|3,0,0]=4 1765 B10R0.71 C=CCCNCCOCCO 2230a_100000211614_100000754431 [0,1,0,0,0,0|2,0,0]=3 1766 B10R0.71 C=CCCNCCOCCO 2230a_100015191253_100011215305 [0,1,0,0,0,0|2,0,0]=3 1767 B10R0.71 C=CCCNCCOCCO 34a_100000211614_100000754431 [0,1,0,0,0,0|2,0,0]=3 1768 B10R0.71 C=CCCNCCSCCO 2230a_100011219999_100000754431 [0,1,0,0,0,0|2,1,0]=4 1769 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [0,1,0,0,0,0|3,0,0]=4 1770 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [0,1,0,0,0,0|3,0,0]=4 1771 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [0,1,0,0,0,0|3,0,0]=4 1772 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [0,1,0,0,0,0|3,0,0]=4 1773 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [0,1,0,0,0,0|3,0,0]=4 1774 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [0,1,0,0,0,0|3,0,0]=4 1775 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [0,1,0,0,0,0|3,0,0]=4 1776 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [0,1,0,0,0,0|3,0,0]=4 1777 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [0,1,0,0,0,0|3,0,0]=4 1778 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [0,1,0,0,0,0|3,0,0]=4 1779 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [0,1,0,0,0,0|3,0,0]=4 1780 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [0,1,0,0,0,0|2,0,0]=3 1781 B10R0.71 C=CCCOCCOCC=C 34a_100000037705_100000754431 [0,1,0,0,0,0|2,0,1]=4 1782 B10R0.71 C=CCCOCCOCC=C 7a_100000037705_100000754431 [0,1,0,0,0,0|2,0,1]=4 1783 B10R0.71 C=CCCOCCOCCBr 34a_100000692535_100000754431 [0,1,0,0,0,0|2,0,0]=3 1784 B10R0.71 C=CCCOCCOCCBr 7a_100000692535_100000754431 [0,1,0,0,0,0|2,0,0]=3 1785 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [0,1,0,0,0,0|2,0,0]=3 1786 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [0,1,0,0,0,0|2,0,0]=3 1787 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [0,1,0,0,0,0|2,0,0]=3 1788 B10R0.71 C=CCCOCCOCCCl 34a_100011215305_100000754431 [0,1,0,0,0,0|2,0,0]=3 1789 B10R0.71 C=CCCOCCOCCCl 7a_100011215305_100000754431 [0,1,0,0,0,0|2,0,0]=3 1790 B10R0.71 C=CCCOCCOCCF 34a_200015357709_100000754431 [0,1,0,0,0,0|2,0,0]=3 1791 B10R0.71 C=CCCOCCOCCF 7a_200015357709_100000754431 [0,1,0,0,0,0|2,0,0]=3 1792 B10R0.71 C=CCCOCCOCCI 34a_100012149058_100000754431 [0,1,0,0,0,0|2,0,0]=3 1793 B10R0.71 C=CCCOCCOCCI 7a_100012149058_100000754431 [0,1,0,0,0,0|2,0,0]=3 1794 B10R0.71 C=CCCOCCOCCN 34a_100000211614_100000754431 [0,1,0,0,0,0|2,0,0]=3 1795 B10R0.71 C=CCCOCCOCCO 34a_100011205117_100000692535 [0,1,0,0,0,0|1,0,0]=2 1796 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [0,1,0,0,0,0|2,1,0]=4 1797 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [0,1,0,0,0,0|2,1,0]=4 1798 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [0,1,0,0,0,0|2,1,0]=4 1799 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [0,1,0,0,0,0|2,1,0]=4 1800 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [0,1,0,0,0,0|2,1,0]=4 1801 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [0,1,0,0,0,0|2,1,0]=4 1802 B10R0.71 C=CCCSCCOCCO 62a_100000754431_100011215305 [0,1,0,0,0,0|1,1,0]=3 1803 B10R0.71 C=CCCSCCOCCO 62a_100011215305_100000754431 [0,1,0,0,0,0|1,1,0]=3 1804 B10R0.71 C=CCNCCOCCOC 2230a_100000745349_100000210623 [0,1,0,0,0,0|2,0,1]=4 1805 B10R0.71 C=CCNCCOCCOC 2230a_100020586998_100000695917 [0,1,0,0,0,0|2,0,1]=4 1806 B10R0.71 C=CCNCCOCCOC 34a_100000745349_100015514636 [0,1,0,0,0,0|2,0,1]=4 1807 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [0,1,0,0,0,0|2,0,1]=4 1808 B10R0.71 C=CCOCCOCCC#N 7a_100000037705_100000184422 [0,1,0,0,0,0|2,0,1]=4 1809 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [0,1,0,0,0,0|2,0,1]=4 1810 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [0,1,0,0,0,0|2,0,1]=4 1811 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [0,1,0,0,0,0|2,0,1]=4 1812 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [0,1,0,0,0,0|2,0,1]=4 1813 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [0,1,0,0,0,0|2,0,1]=4 1814 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [0,1,0,0,0,0|2,0,1]=4 1815 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [0,1,0,0,0,0|2,0,1]=4 1816 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [0,1,0,0,0,0|1,0,1]=3 1817 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [0,1,0,0,0,0|1,0,1]=3 1818 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [0,1,0,0,0,0|2,0,1]=4 1819 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [0,1,0,0,0,0|1,0,1]=3 1820 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [0,1,0,0,0,0|1,0,1]=3 1821 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [0,1,0,0,0,0|1,0,1]=3 1822 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [0,1,0,0,0,0|1,0,1]=3 1823 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [0,1,0,0,0,0|1,0,1]=3 1824 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [0,1,0,0,0,0|1,0,1]=3 1825 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [0,1,0,0,0,0|1,0,1]=3 1826 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [0,1,0,0,0,0|1,0,1]=3 1827 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [0,1,0,0,0,0|1,0,1]=3 1828 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [0,1,0,0,0,0|1,1,1]=4 1829 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [0,1,0,0,0,0|1,1,1]=4 1830 B10R0.71 C=CCSCCOCCOC 62a_100000210623_100000695917 [0,1,0,0,0,0|1,1,1]=4 1831 B10R0.71 C=CCSCCOCCOC 62a_100000695917_100000210623 [0,1,0,0,0,0|1,1,1]=4 1832 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [0,1,0,0,0,0|2,0,1]=4 1833 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [0,1,0,0,0,0|2,0,1]=4 1834 B10R0.71 CC#CCNCCOCCO 2230a_100000211614_100000748600 [0,1,0,0,0,0|2,0,1]=4 1835 B10R0.71 CC#CCNCCOCCO 2230a_100000685387_100011215305 [0,1,0,0,0,0|2,0,1]=4 1836 B10R0.71 CC#CCNCCOCCO 34a_100000211614_100000748600 [0,1,0,0,0,0|2,0,1]=4 1837 B10R0.71 CC#CCNCCOCCO 34a_100000685387_100000692535 [0,1,0,0,0,0|2,0,1]=4 1838 B10R0.71 CC#CCOCCCCCO 34a_100000761923_100000746330 [0,1,0,0,0,0|2,0,1]=4 1839 B10R0.71 CC#CCOCCOCCBr 34a_100000692535_100000748600 [0,1,0,0,0,0|2,0,1]=4 1840 B10R0.71 CC#CCOCCOCCBr 7a_100000692535_100000748600 [0,1,0,0,0,0|2,0,1]=4 1841 B10R0.71 CC#CCOCCOCCC 34a_100000752267_100000748600 [0,1,0,0,0,0|2,0,1]=4 1842 B10R0.71 CC#CCOCCOCCC 34a_100000761923_100011215938 [0,1,0,0,0,0|2,0,1]=4 1843 B10R0.71 CC#CCOCCOCCC 7a_100000752267_100000748600 [0,1,0,0,0,0|2,0,1]=4 1844 B10R0.71 CC#CCOCCOCCCl 34a_100011215305_100000748600 [0,1,0,0,0,0|2,0,1]=4 1845 B10R0.71 CC#CCOCCOCCCl 7a_100011215305_100000748600 [0,1,0,0,0,0|2,0,1]=4 1846 B10R0.71 CC#CCOCCOCCF 34a_200015357709_100000748600 [0,1,0,0,0,0|2,0,1]=4 1847 B10R0.71 CC#CCOCCOCCF 7a_200015357709_100000748600 [0,1,0,0,0,0|2,0,1]=4 1848 B10R0.71 CC#CCOCCOCCI 34a_100012149058_100000748600 [0,1,0,0,0,0|2,0,1]=4 1849 B10R0.71 CC#CCOCCOCCI 7a_100012149058_100000748600 [0,1,0,0,0,0|2,0,1]=4 1850 B10R0.71 CC#CCOCCOCCN 34a_100000211614_100000748600 [0,1,0,0,0,0|2,0,1]=4 1851 B10R0.71 CC#CCOCCOCCO 34a_100000761923_100000692535 [0,1,0,0,0,0|1,0,1]=3 1852 B10R0.71 CC#CCSCCOCCO 62a_100000748600_100011215305 [0,1,0,0,0,0|1,1,1]=4 1853 B10R0.71 CC#CCSCCOCCO 62a_100011215305_100000748600 [0,1,0,0,0,0|1,1,1]=4 1854 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [0,1,0,0,0,0|2,0,1]=4 1855 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [0,1,0,0,0,0|2,0,1]=4 1856 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [0,1,0,0,0,0|2,0,1]=4 1857 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [0,1,0,0,0,0|2,0,1]=4 1858 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [0,1,0,0,0,0|2,0,1]=4 1859 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [0,1,0,0,0,0|2,0,1]=4 1860 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [0,1,0,0,0,0|2,0,1]=4 1861 B10R0.71 CC/C=C\CCOCCON 34a_100000700252_100015370543 [0,1,0,0,0,0|2,0,1]=4 1862 B10R0.71 CC=CCNCCOCCO 2230a_100000211614_100000070051 [0,1,0,0,0,0|2,0,1]=4 1863 B10R0.71 CC=CCNCCOCCO 34a_100000211614_100000070051 [0,1,0,0,0,0|2,0,1]=4 1864 B10R0.71 CC=CCOCCOCCBr 34a_100000692535_100000070051 [0,1,0,0,0,0|2,0,1]=4 1865 B10R0.71 CC=CCOCCOCCBr 7a_100000692535_100000070051 [0,1,0,0,0,0|2,0,1]=4 1866 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [0,1,0,0,0,0|2,0,1]=4 1867 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [0,1,0,0,0,0|2,0,1]=4 1868 B10R0.71 CC=CCOCCOCCCl 34a_100011215305_100000070051 [0,1,0,0,0,0|2,0,1]=4 1869 B10R0.71 CC=CCOCCOCCCl 7a_100011215305_100000070051 [0,1,0,0,0,0|2,0,1]=4 1870 B10R0.71 CC=CCOCCOCCF 34a_200015357709_100000070051 [0,1,0,0,0,0|2,0,1]=4 1871 B10R0.71 CC=CCOCCOCCF 7a_200015357709_100000070051 [0,1,0,0,0,0|2,0,1]=4 1872 B10R0.71 CC=CCOCCOCCI 34a_100012149058_100000070051 [0,1,0,0,0,0|2,0,1]=4 1873 B10R0.71 CC=CCOCCOCCI 7a_100012149058_100000070051 [0,1,0,0,0,0|2,0,1]=4 1874 B10R0.71 CC=CCOCCOCCN 34a_100000211614_100000070051 [0,1,0,0,0,0|2,0,1]=4 1875 B10R0.71 CC=CCSCCOCCO 62a_100000070051_100011215305 [0,1,0,0,0,0|1,1,1]=4 1876 B10R0.71 CC=CCSCCOCCO 62a_100011215305_100000070051 [0,1,0,0,0,0|1,1,1]=4 1877 B10R0.71 CCC#CCCOCCCO 34a_100000036655_100000230001 [0,1,0,0,0,0|2,0,1]=4 1878 B10R0.71 CCC#CCCOCCCO 7a_100000036655_100011215043 [0,1,0,0,0,0|2,0,1]=4 1879 B10R0.71 CCC#CCCOCCOC 34a_100000036655_100011201679 [0,1,0,0,0,0|2,0,1]=4 1880 B10R0.71 CCC#CCCOCCOC 7a_100000036655_100000233755 [0,1,0,0,0,0|2,0,1]=4 1881 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [0,1,0,0,0,0|2,0,1]=4 1882 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [0,1,0,0,0,0|2,0,1]=4 1883 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [0,1,0,0,0,0|2,0,1]=4 1884 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [0,1,0,0,0,0|2,0,1]=4 1885 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [0,1,0,0,0,0|3,0,0]=4 1886 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [0,1,0,0,0,0|3,0,0]=4 1887 B10R0.71 CCCC#CCCOCCF 34a_100000042726_100011217306 [0,1,0,0,0,0|3,0,0]=4 1888 B10R0.71 CCCC#CCCOCCF 7a_100000042726_100011217306 [0,1,0,0,0,0|3,0,0]=4 1889 B10R0.71 CCCC#CCCOCCO 34a_100000042726_100000211926 [0,1,0,0,0,0|2,0,0]=3 1890 B10R0.71 CCCC#CCCOCCO 7a_100000042726_100000211926 [0,1,0,0,0,0|2,0,0]=3 1891 B10R0.71 CCCC#CCOCCCO 34a_100000034806_100000230001 [0,1,0,0,0,0|2,0,1]=4 1892 B10R0.71 CCCC#CCOCCCO 7a_100000034806_100011215043 [0,1,0,0,0,0|2,0,1]=4 1893 B10R0.71 CCCC#CCOCCOC 34a_100000034806_100011201679 [0,1,0,0,0,0|2,0,1]=4 1894 B10R0.71 CCCC#CCOCCOC 7a_100000034806_100000233755 [0,1,0,0,0,0|2,0,1]=4 1895 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [0,1,0,0,0,0|2,0,1]=4 1896 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [0,1,0,0,0,0|2,0,1]=4 1897 B10R0.71 CCCCC#CCOCCO 34a_200000034558_100000211926 [0,1,0,0,0,0|2,0,1]=4 1898 B10R0.71 CCCCC#CCOCCO 7a_200000034558_100000211926 [0,1,0,0,0,0|2,0,1]=4 1899 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [0,1,0,0,0,0|3,0,0]=4 1900 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [0,1,0,0,0,0|3,0,0]=4 1901 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [0,1,0,0,0,0|3,0,0]=4 1902 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [0,1,0,0,0,0|3,0,0]=4 1903 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [0,1,0,0,0,0|3,0,0]=4 1904 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [0,1,0,0,0,0|3,0,0]=4 1905 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [0,1,0,0,0,0|3,0,0]=4 1906 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [0,1,0,0,0,0|3,0,0]=4 1907 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [0,1,0,0,0,0|3,0,0]=4 1908 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [0,1,0,0,0,0|3,0,0]=4 1909 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [0,1,0,0,0,0|3,0,0]=4 1910 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [0,1,0,0,0,0|3,0,0]=4 1911 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [0,1,0,0,0,0|3,0,0]=4 1912 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [0,1,0,0,0,0|3,0,0]=4 1913 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [0,1,0,0,0,0|3,0,0]=4 1914 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [0,1,0,0,0,0|2,0,0]=3 1915 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [0,1,0,0,0,0|2,0,0]=3 1916 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [0,1,0,0,0,0|2,1,0]=4 1917 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [0,1,0,0,0,0|2,1,0]=4 1918 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [0,1,0,0,0,0|3,0,0]=4 1919 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [0,1,0,0,0,0|3,0,0]=4 1920 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [0,1,0,0,0,0|3,0,0]=4 1921 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [0,1,0,0,0,0|3,0,0]=4 1922 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [0,1,0,0,0,0|3,0,0]=4 1923 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [0,1,0,0,0,0|3,0,0]=4 1924 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [0,1,0,0,0,0|3,0,0]=4 1925 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [0,1,0,0,0,0|3,0,0]=4 1926 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [0,1,0,0,0,0|3,0,0]=4 1927 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [0,1,0,0,0,0|3,0,0]=4 1928 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [0,1,0,0,0,0|3,0,0]=4 1929 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [0,1,0,0,0,0|3,0,0]=4 1930 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [0,1,0,0,0,0|3,0,0]=4 1931 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [0,1,0,0,0,0|3,0,0]=4 1932 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [0,1,0,0,0,0|2,0,0]=3 1933 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [0,1,0,0,0,0|2,0,0]=3 1934 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [0,1,0,0,0,0|2,0,0]=3 1935 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [0,1,0,0,0,0|2,0,0]=3 1936 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [0,1,0,0,0,0|2,0,0]=3 1937 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [0,1,0,0,0,0|2,0,0]=3 1938 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [0,1,0,0,0,0|2,0,0]=3 1939 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [0,1,0,0,0,0|2,0,0]=3 1940 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [0,1,0,0,0,0|2,0,0]=3 1941 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [0,1,0,0,0,0|2,0,0]=3 1942 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [0,1,0,0,0,0|2,1,0]=4 1943 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [0,1,0,0,0,0|2,1,0]=4 1944 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [0,1,0,0,0,0|2,1,0]=4 1945 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [0,1,0,0,0,0|2,1,0]=4 1946 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [0,1,0,0,0,0|2,1,0]=4 1947 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [0,1,0,0,0,0|2,1,0]=4 1948 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [0,1,0,0,0,0|2,1,0]=4 1949 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [0,1,0,0,0,0|2,1,0]=4 1950 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [0,1,0,0,0,0|3,0,0]=4 1951 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [0,1,0,0,0,0|3,0,0]=4 1952 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [0,1,0,0,0,0|3,0,0]=4 1953 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [0,1,0,0,0,0|3,0,0]=4 1954 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [0,1,0,0,0,0|3,0,0]=4 1955 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [0,1,0,0,0,0|3,0,0]=4 1956 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [0,1,0,0,0,0|3,0,0]=4 1957 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [0,1,0,0,0,0|3,0,0]=4 1958 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [0,1,0,0,0,0|3,0,0]=4 1959 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [0,1,0,0,0,0|3,0,0]=4 1960 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [0,1,0,0,0,0|3,0,0]=4 1961 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [0,1,0,0,0,0|3,0,0]=4 1962 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [0,1,0,0,0,0|3,0,0]=4 1963 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [0,1,0,0,0,0|3,0,0]=4 1964 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [0,1,0,0,0,0|3,0,0]=4 1965 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [0,1,0,0,0,0|2,0,0]=3 1966 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [0,1,0,0,0,0|2,0,0]=3 1967 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [0,1,0,0,0,0|2,0,0]=3 1968 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [0,1,0,0,0,0|2,0,0]=3 1969 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [0,1,0,0,0,0|2,1,0]=4 1970 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [0,1,0,0,0,0|3,0,0]=4 1971 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [0,1,0,0,0,0|3,0,0]=4 1972 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [0,1,0,0,0,0|3,0,0]=4 1973 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [0,1,0,0,0,0|3,0,0]=4 1974 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [0,1,0,0,0,0|3,0,0]=4 1975 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [0,1,0,0,0,0|3,0,0]=4 1976 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [0,1,0,0,0,0|3,0,0]=4 1977 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [0,1,0,0,0,0|3,0,0]=4 1978 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [0,1,0,0,0,0|3,0,0]=4 1979 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [0,1,0,0,0,0|3,0,0]=4 1980 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [0,1,0,0,0,0|2,0,0]=3 1981 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [0,1,0,0,0,0|2,0,0]=3 1982 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [0,1,0,0,0,0|3,0,0]=4 1983 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [0,1,0,0,0,0|2,0,0]=3 1984 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [0,1,0,0,0,0|2,0,0]=3 1985 B10R0.71 CCCCOCCOCC#N 7a_100000210227_200000047693 [0,1,0,0,0,0|2,0,1]=4 1986 B10R0.71 CCCCOCCOCC#N 7a_100000210238_100011215382 [0,1,0,0,0,0|2,0,1]=4 1987 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [0,1,0,0,0,0|1,0,2]=4 1988 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [0,1,0,0,0,0|1,0,2]=4 1989 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [0,1,0,0,0,0|2,0,0]=3 1990 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [0,1,0,0,0,0|2,0,0]=3 1991 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [0,1,0,0,0,0|2,0,0]=3 1992 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [0,1,0,0,0,0|2,0,0]=3 1993 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [0,1,0,0,0,0|2,0,0]=3 1994 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [0,1,0,0,0,0|2,0,0]=3 1995 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [0,1,0,0,0,0|2,0,0]=3 1996 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [0,1,0,0,0,0|2,0,0]=3 1997 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [0,1,0,0,0,0|2,0,0]=3 1998 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [0,1,0,0,0,0|2,0,0]=3 1999 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [0,1,0,0,0,0|2,0,0]=3 2000 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [0,1,0,0,0,0|2,0,0]=3 2001 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [0,1,0,0,0,0|2,0,0]=3 2002 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [0,1,0,0,0,0|2,0,0]=3 2003 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [0,1,0,0,0,0|2,0,0]=3 2004 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [0,1,0,0,0,0|2,0,0]=3 2005 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [0,1,0,0,0,0|2,0,0]=3 2006 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [0,1,0,0,0,0|2,0,0]=3 2007 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [0,1,0,0,0,0|2,0,0]=3 2008 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [0,1,0,0,0,0|2,0,0]=3 2009 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [0,1,0,0,0,0|1,0,0]=2 2010 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [0,1,0,0,0,0|1,0,0]=2 2011 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [0,1,0,0,0,0|1,0,0]=2 2012 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [0,1,0,0,0,0|1,0,0]=2 2013 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [0,1,0,0,0,0|3,0,0]=4 2014 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [0,1,0,0,0,0|2,1,0]=4 2015 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [0,1,0,0,0,0|2,1,0]=4 2016 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [0,1,0,0,0,0|2,1,0]=4 2017 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [0,1,0,0,0,0|2,1,0]=4 2018 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [0,1,0,0,0,0|2,1,0]=4 2019 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [0,1,0,0,0,0|2,1,0]=4 2020 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [0,1,0,0,0,0|1,1,0]=3 2021 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [0,1,0,0,0,0|1,1,0]=3 2022 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [0,1,0,0,0,0|3,0,0]=4 2023 B10R0.71 CCCCOCOCCON 34a_100000700252_100011995733 [0,1,0,0,0,0|3,0,0]=4 2024 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [0,1,0,0,0,0|3,0,0]=4 2025 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [0,1,0,0,0,0|3,0,0]=4 2026 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [0,1,0,0,0,0|2,1,0]=4 2027 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [0,1,0,0,0,0|2,1,0]=4 2028 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [0,1,0,0,0,0|2,1,0]=4 2029 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [0,1,0,0,0,0|2,1,0]=4 2030 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [0,1,0,0,0,0|2,1,0]=4 2031 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [0,1,0,0,0,0|2,1,0]=4 2032 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [0,1,0,0,0,0|2,1,0]=4 2033 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [0,1,0,0,0,0|2,1,0]=4 2034 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [0,1,0,0,0,0|2,1,0]=4 2035 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [0,1,0,0,0,0|1,1,0]=3 2036 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [0,1,0,0,0,0|1,1,0]=3 2037 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [0,1,0,0,0,0|1,1,0]=3 2038 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [0,1,0,0,0,0|1,1,0]=3 2039 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [0,1,0,0,0,0|3,0,0]=4 2040 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [0,1,0,0,0,0|3,0,0]=4 2041 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [0,1,0,0,0,0|3,0,0]=4 2042 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [0,1,0,0,0,0|3,0,0]=4 2043 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [0,1,0,0,0,0|3,0,0]=4 2044 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [0,1,0,0,0,0|3,0,0]=4 2045 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [0,1,0,0,0,0|3,0,0]=4 2046 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [0,1,0,0,0,0|3,0,0]=4 2047 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [0,1,0,0,0,0|2,0,0]=3 2048 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [0,1,0,0,0,0|2,0,0]=3 2049 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [0,1,0,0,0,0|3,0,0]=4 2050 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [0,1,0,0,0,0|3,0,0]=4 2051 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [0,1,0,0,0,0|3,0,0]=4 2052 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [0,1,0,0,0,0|3,0,0]=4 2053 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [0,1,0,0,0,0|3,0,0]=4 2054 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [0,1,0,0,0,0|3,0,0]=4 2055 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [0,1,0,0,0,0|3,0,0]=4 2056 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [0,1,0,0,0,0|3,0,0]=4 2057 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [0,1,0,0,0,0|2,0,0]=3 2058 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 2059 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [0,1,0,0,0,0|3,0,0]=4 2060 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [0,1,0,0,0,0|3,0,0]=4 2061 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [0,1,0,0,0,0|2,0,0]=3 2062 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [0,1,0,0,0,0|2,0,0]=3 2063 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [0,1,0,0,0,0|3,0,0]=4 2064 B10R0.71 CCCOCCNCCC#N 2230a_100161115042_100011215226 [0,1,0,0,0,0|3,0,0]=4 2065 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [0,1,0,0,0,0|3,0,0]=4 2066 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [0,1,0,0,0,0|3,0,0]=4 2067 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [0,1,0,0,0,0|3,0,0]=4 2068 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [0,1,0,0,0,0|3,0,0]=4 2069 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [0,1,0,0,0,0|2,0,0]=3 2070 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [0,1,0,0,0,0|2,0,0]=3 2071 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [0,1,0,0,0,0|2,0,0]=3 2072 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [0,1,0,0,0,0|2,0,0]=3 2073 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [0,1,0,0,0,0|2,0,0]=3 2074 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [0,1,0,0,0,0|2,1,0]=4 2075 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [0,1,0,0,0,0|2,1,0]=4 2076 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [0,1,0,0,0,0|2,1,0]=4 2077 B10R0.71 CCCOCCOCCC#N 7a_100000752267_100000184422 [0,1,0,0,0,0|2,0,0]=3 2078 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [0,1,0,0,0,0|2,0,0]=3 2079 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [0,1,0,0,0,0|2,0,0]=3 2080 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [0,1,0,0,0,0|2,0,0]=3 2081 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [0,1,0,0,0,0|2,0,0]=3 2082 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [0,1,0,0,0,0|2,0,0]=3 2083 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [0,1,0,0,0,0|2,0,0]=3 2084 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [0,1,0,0,0,0|1,0,0]=2 2085 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [0,1,0,0,0,0|1,0,0]=2 2086 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [0,1,0,0,0,0|2,0,0]=3 2087 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [0,1,0,0,0,0|2,0,0]=3 2088 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [0,1,0,0,0,0|2,0,0]=3 2089 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [0,1,0,0,0,0|2,0,0]=3 2090 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [0,1,0,0,0,0|2,0,0]=3 2091 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [0,1,0,0,0,0|1,0,0]=2 2092 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [0,1,0,0,0,0|1,0,0]=2 2093 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [0,1,0,0,0,0|1,0,0]=2 2094 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [0,1,0,0,0,0|1,0,0]=2 2095 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [0,1,0,0,0,0|1,0,0]=2 2096 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [0,1,0,0,0,0|1,0,0]=2 2097 B10R0.71 CCCOCCOCCON 34a_100000700252_100011215938 [0,1,0,0,0,0|1,0,0]=2 2098 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [0,1,0,0,0,0|1,1,0]=3 2099 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [0,1,0,0,0,0|1,1,0]=3 2100 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [0,1,0,0,0,0|1,1,0]=3 2101 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [0,1,0,0,0,0|1,1,0]=3 2102 B10R0.71 CCCOCCSCCC#N 62a_100011215226_100011215938 [0,1,0,0,0,0|2,1,0]=4 2103 B10R0.71 CCCOCCSCCC#N 62a_100011215938_100011215226 [0,1,0,0,0,0|2,1,0]=4 2104 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [0,1,0,0,0,0|2,1,0]=4 2105 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [0,1,0,0,0,0|2,1,0]=4 2106 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [0,1,0,0,0,0|1,1,0]=3 2107 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [0,1,0,0,0,0|1,1,0]=3 2108 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [0,1,0,0,0,0|1,1,0]=3 2109 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [0,1,0,0,0,0|1,1,0]=3 2110 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [0,1,0,0,0,0|1,2,0]=4 2111 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [0,1,0,0,0,0|1,2,0]=4 2112 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [0,1,0,0,0,0|2,1,0]=4 2113 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [0,1,0,0,0,0|2,1,0]=4 2114 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [0,1,0,0,0,0|2,1,0]=4 2115 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [0,1,0,0,0,0|2,1,0]=4 2116 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [0,1,0,0,0,0|2,1,0]=4 2117 B10R0.71 CCCSCCNCCOC 2230a_100020603323_100011201679 [0,1,0,0,0,0|2,1,0]=4 2118 B10R0.71 CCCSCCOCCC#N 7a_200000230433_100000184422 [0,1,0,0,0,0|2,1,0]=4 2119 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [0,1,0,0,0,0|2,1,0]=4 2120 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [0,1,0,0,0,0|2,1,0]=4 2121 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [0,1,0,0,0,0|1,1,0]=3 2122 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [0,1,0,0,0,0|1,1,0]=3 2123 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [0,1,0,0,0,0|1,1,0]=3 2124 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [0,1,0,0,0,0|1,1,0]=3 2125 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [0,1,0,0,0,0|1,1,0]=3 2126 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [0,1,0,0,0,0|1,1,0]=3 2127 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [0,1,0,0,0,0|1,2,0]=4 2128 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [0,1,0,0,0,0|1,2,0]=4 2129 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [0,1,0,0,0,0|3,0,0]=4 2130 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [0,1,0,0,0,0|3,0,0]=4 2131 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [0,1,0,0,0,0|3,0,0]=4 2132 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [0,1,0,0,0,0|3,0,0]=4 2133 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [0,1,0,0,0,0|3,0,0]=4 2134 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [0,1,0,0,0,0|3,0,0]=4 2135 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [0,1,0,0,0,0|3,0,0]=4 2136 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [0,1,0,0,0,0|3,0,0]=4 2137 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [0,1,0,0,0,0|3,0,0]=4 2138 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [0,1,0,0,0,0|3,0,0]=4 2139 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [0,1,0,0,0,0|3,0,0]=4 2140 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [0,1,0,0,0,0|3,0,0]=4 2141 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [0,1,0,0,0,0|3,0,0]=4 2142 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [0,1,0,0,0,0|3,0,0]=4 2143 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [0,1,0,0,0,0|3,0,0]=4 2144 B10R0.71 CCOCCCOCCON 34a_100000700252_100012232248 [0,1,0,0,0,0|3,0,0]=4 2145 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [0,1,0,0,0,0|2,1,0]=4 2146 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [0,1,0,0,0,0|2,1,0]=4 2147 B10R0.71 CCOCSCCOCCO 62a_100000739092_100011215305 [0,1,0,0,0,0|1,1,0]=3 2148 B10R0.71 CCOCSCCOCCO 62a_100011215305_100000739092 [0,1,0,0,0,0|1,1,0]=3 2149 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [0,1,0,0,0,0|3,0,0]=4 2150 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [0,1,0,0,0,0|3,0,0]=4 2151 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [0,1,0,0,0,0|3,0,0]=4 2152 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [0,1,0,0,0,0|3,0,0]=4 2153 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [0,1,0,0,0,0|3,0,0]=4 2154 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [0,1,0,0,0,0|3,0,0]=4 2155 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [0,1,0,0,0,0|3,0,0]=4 2156 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [0,1,0,0,0,0|3,0,0]=4 2157 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [0,1,0,0,0,0|3,0,0]=4 2158 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [0,1,0,0,0,0|3,0,0]=4 2159 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [0,1,0,0,0,0|3,0,0]=4 2160 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [0,1,0,0,0,0|3,0,0]=4 2161 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [0,1,0,0,0,0|3,0,0]=4 2162 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [0,1,0,0,0,0|3,0,0]=4 2163 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [0,1,0,0,0,0|2,0,0]=3 2164 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [0,1,0,0,0,0|1,0,2]=4 2165 B10R0.71 CNCCOCCOCCF 34a_100000228057_100011217306 [0,1,0,0,0,0|2,0,0]=3 2166 B10R0.71 CNCCOCCOCCO 2230a_100011998139_200000210301 [0,1,0,0,0,0|1,0,0]=2 2167 B10R0.71 CNCCOCCOCCO 2230a_106832991635_100000032323 [0,1,0,0,0,0|1,0,0]=2 2168 B10R0.71 CNCCOCCOCCO 34a_100000228057_100000211926 [0,1,0,0,0,0|1,0,0]=2 2169 B10R0.71 CNCCOCCOCCO 34a_100011998139_200000210301 [0,1,0,0,0,0|1,0,0]=2 2170 B10R0.71 CNCCOCCOCCO 34a_100102657272_100000032323 [0,1,0,0,0,0|1,0,0]=2 2171 B10R0.71 CNCCOCCOCCO 7a_106832991635_100000032323 [0,1,0,0,0,0|1,0,0]=2 2172 B10R0.71 CNCCOCCOCSC 34a_100000228057_100011218213 [0,1,0,0,0,0|3,0,0]=4 2173 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [0,1,0,0,0,0|3,0,0]=4 2174 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [0,1,0,0,0,0|3,0,0]=4 2175 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [0,1,0,0,0,0|3,0,0]=4 2176 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [0,1,0,0,0,0|3,0,0]=4 2177 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [0,1,0,0,0,0|3,0,0]=4 2178 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [0,1,0,0,0,0|2,0,0]=3 2179 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [0,1,0,0,0,0|3,0,0]=4 2180 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [0,1,0,0,0,0|3,0,0]=4 2181 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [0,1,0,0,0,0|3,0,0]=4 2182 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [0,1,0,0,0,0|2,0,0]=3 2183 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [0,1,0,0,0,0|2,0,0]=3 2184 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [0,1,0,0,0,0|3,0,0]=4 2185 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [0,1,0,0,0,0|3,0,0]=4 2186 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [0,1,0,0,0,0|3,0,0]=4 2187 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [0,1,0,0,0,0|3,0,0]=4 2188 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [0,1,0,0,0,0|3,0,0]=4 2189 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [0,1,0,0,0,0|3,0,0]=4 2190 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [0,1,0,0,0,0|3,0,0]=4 2191 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [0,1,0,0,0,0|3,0,0]=4 2192 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [0,1,0,0,0,0|3,0,0]=4 2193 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [0,1,0,0,0,0|3,0,0]=4 2194 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [0,1,0,0,0,0|3,0,0]=4 2195 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [0,1,0,0,0,0|3,0,0]=4 2196 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [0,1,0,0,0,0|3,0,0]=4 2197 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [0,1,0,0,0,0|2,0,0]=3 2198 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [0,1,0,0,0,0|2,0,0]=3 2199 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [0,1,0,0,0,0|2,0,0]=3 2200 B10R0.71 COCCNCCOCC#N 2230a_100000209980_200000047693 [0,1,0,0,0,0|2,0,1]=4 2201 B10R0.71 COCCNCCOCCO 2230a_100000209980_100011215305 [0,1,0,0,0,0|1,0,0]=2 2202 B10R0.71 COCCNCCOCCO 2230a_100000211614_100011201679 [0,1,0,0,0,0|1,0,0]=2 2203 B10R0.71 COCCNCCOCCO 34a_100000211614_100011201679 [0,1,0,0,0,0|1,0,0]=2 2204 B10R0.71 COCCNCCSCCO 2230a_100011219999_100011201679 [0,1,0,0,0,0|1,1,0]=3 2205 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [0,1,0,0,0,0|2,0,0]=3 2206 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [0,1,0,0,0,0|2,0,0]=3 2207 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [0,1,0,0,0,0|2,0,0]=3 2208 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [0,1,0,0,0,0|2,0,0]=3 2209 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [0,1,0,0,0,0|2,0,0]=3 2210 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [0,1,0,0,0,0|2,0,0]=3 2211 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [0,1,0,0,0,0|2,0,0]=3 2212 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [0,1,0,0,0,0|2,0,0]=3 2213 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [0,1,0,0,0,0|1,0,0]=2 2214 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [0,1,0,0,0,0|3,0,0]=4 2215 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [0,1,0,0,0,0|3,0,0]=4 2216 B10R0.71 COCCOCCCNCF 34a_100000206027_100015361967 [0,1,0,0,0,0|3,0,0]=4 2217 B10R0.71 COCCOCCCSCF 62a_100011216529_100015361967 [0,1,0,0,0,0|3,0,0]=4 2218 B10R0.71 COCCOCCCSCF 62a_100015361967_100011216529 [0,1,0,0,0,0|3,0,0]=4 2219 B10R0.71 COCCOCCNCC#N 2230a_100000745349_100011215382 [0,1,0,0,0,0|2,0,1]=4 2220 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [0,1,0,0,0,0|1,0,2]=4 2221 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [0,1,0,0,0,0|1,0,2]=4 2222 B10R0.71 COCCOCCNCCF 2230a_100000745349_100011217306 [0,1,0,0,0,0|2,0,0]=3 2223 B10R0.71 COCCOCCNCCF 34a_100000724931_100000695917 [0,1,0,0,0,0|2,0,0]=3 2224 B10R0.71 COCCOCCNCCF 34a_100000745349_100011217306 [0,1,0,0,0,0|2,0,0]=3 2225 B10R0.71 COCCOCCNCCO 2230a_100000745349_100000211926 [0,1,0,0,0,0|1,0,0]=2 2226 B10R0.71 COCCOCCNCCO 2230a_100016997473_100000695917 [0,1,0,0,0,0|1,0,0]=2 2227 B10R0.71 COCCOCCNCCO 34a_100000745349_100000211926 [0,1,0,0,0,0|1,0,0]=2 2228 B10R0.71 COCCOCCNCCO 34a_100016990907_100000695917 [0,1,0,0,0,0|1,0,0]=2 2229 B10R0.71 COCCOCCNCOC 2230a_100000745349_100000766300 [0,1,0,0,0,0|3,0,0]=4 2230 B10R0.71 COCCOCCNCSC 2230a_100000745349_100011218213 [0,1,0,0,0,0|3,0,0]=4 2231 B10R0.71 COCCOCCNCSC 34a_100000745349_100011218213 [0,1,0,0,0,0|3,0,0]=4 2232 B10R0.71 COCCOCCOCC#N 7a_100011215163_100011215382 [0,1,0,0,0,0|1,0,1]=3 2233 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [0,1,0,0,0,0|0,0,2]=3 2234 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [0,1,0,0,0,0|0,0,2]=3 2235 B10R0.71 COCCOCCOCCBr 34a_100000211926_100000695917 [0,1,0,0,0,0|1,0,0]=2 2236 B10R0.71 COCCOCCOCCBr 34a_100000692535_100011201679 [0,1,0,0,0,0|1,0,0]=2 2237 B10R0.71 COCCOCCOCCBr 34a_100010132937_200000210301 [0,1,0,0,0,0|1,0,0]=2 2238 B10R0.71 COCCOCCOCCBr 7a_100000692535_100000233755 [0,1,0,0,0,0|1,0,0]=2 2239 B10R0.71 COCCOCCOCCBr 7a_100010132937_200000210301 [0,1,0,0,0,0|1,0,0]=2 2240 B10R0.71 COCCOCCOCCCl 34a_100000032323_200000210301 [0,1,0,0,0,0|1,0,0]=2 2241 B10R0.71 COCCOCCOCCCl 34a_100011215305_100011201679 [0,1,0,0,0,0|1,0,0]=2 2242 B10R0.71 COCCOCCOCCCl 7a_100000032323_200000210301 [0,1,0,0,0,0|1,0,0]=2 2243 B10R0.71 COCCOCCOCCCl 7a_100011215305_100000233755 [0,1,0,0,0,0|1,0,0]=2 2244 B10R0.71 COCCOCCOCCF 34a_100011215163_100011217306 [0,1,0,0,0,0|1,0,0]=2 2245 B10R0.71 COCCOCCOCCF 34a_200015357709_100011201679 [0,1,0,0,0,0|1,0,0]=2 2246 B10R0.71 COCCOCCOCCF 7a_100011215163_100011217306 [0,1,0,0,0,0|1,0,0]=2 2247 B10R0.71 COCCOCCOCCF 7a_200015357709_100000233755 [0,1,0,0,0,0|1,0,0]=2 2248 B10R0.71 COCCOCCOCCI 34a_100012149058_100011201679 [0,1,0,0,0,0|1,0,0]=2 2249 B10R0.71 COCCOCCOCCI 7a_100012149058_100000233755 [0,1,0,0,0,0|1,0,0]=2 2250 B10R0.71 COCCOCCOCCN 34a_100000210304_100000695917 [0,1,0,0,0,0|1,0,0]=2 2251 B10R0.71 COCCOCCOCCN 34a_100000211614_100011201679 [0,1,0,0,0,0|1,0,0]=2 2252 B10R0.71 COCCOCCOCCN 34a_100011998139_200000210301 [0,1,0,0,0,0|1,0,0]=2 2253 B10R0.71 COCCOCCOCCO 34a_100000210237_100000692535 [0,1,0,0,0,0|0,0,0]=1 2254 B10R0.71 COCCOCCOCCO 34a_100011215163_100000211926 [0,1,0,0,0,0|0,0,0]=1 2255 B10R0.71 COCCOCCOCCO 34a_100138415774_100000032323 [0,1,0,0,0,0|0,0,0]=1 2256 B10R0.71 COCCOCCOCCO 7a_100011215163_100000211926 [0,1,0,0,0,0|0,0,0]=1 2257 B10R0.71 COCCOCCOCSC 34a_100011215163_100011218213 [0,1,0,0,0,0|2,0,0]=3 2258 B10R0.71 COCCOCCSCC#N 62a_100000695917_100011215382 [0,1,0,0,0,0|1,1,1]=4 2259 B10R0.71 COCCOCCSCC#N 62a_100011215382_100000695917 [0,1,0,0,0,0|1,1,1]=4 2260 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [0,1,0,0,0,0|0,1,2]=4 2261 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [0,1,0,0,0,0|0,1,2]=4 2262 B10R0.71 COCCOCCSCCF 62a_100000695917_100011217306 [0,1,0,0,0,0|1,1,0]=3 2263 B10R0.71 COCCOCCSCCF 62a_100011217306_100000695917 [0,1,0,0,0,0|1,1,0]=3 2264 B10R0.71 COCCOCCSCCO 62a_100000211926_100000695917 [0,1,0,0,0,0|0,1,0]=2 2265 B10R0.71 COCCOCCSCCO 62a_100000695917_100000211926 [0,1,0,0,0,0|0,1,0]=2 2266 B10R0.71 COCCOCCSCOC 62a_100000695917_100000766300 [0,1,0,0,0,0|2,1,0]=4 2267 B10R0.71 COCCOCCSCOC 62a_100000766300_100000695917 [0,1,0,0,0,0|2,1,0]=4 2268 B10R0.71 COCCOCCSCSC 62a_100000695917_100011218213 [0,1,0,0,0,0|2,1,0]=4 2269 B10R0.71 COCCOCCSCSC 62a_100011218213_100000695917 [0,1,0,0,0,0|2,1,0]=4 2270 B10R0.71 COCCOCNCCCF 2230a_100015189416_100000231047 [0,1,0,0,0,0|3,0,0]=4 2271 B10R0.71 COCCOCSCCCF 62a_100000231047_100011934791 [0,1,0,0,0,0|3,0,0]=4 2272 B10R0.71 COCCOCSCCCF 62a_100011934791_100000231047 [0,1,0,0,0,0|3,0,0]=4 2273 B10R0.71 COCCOCSCCCO 62a_100000231047_100011215043 [0,1,0,0,0,0|2,0,0]=3 2274 B10R0.71 COCCOCSCCCO 62a_100011215043_100000231047 [0,1,0,0,0,0|2,0,0]=3 2275 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [0,1,0,0,0,0|2,1,0]=4 2276 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [0,1,0,0,0,0|2,1,0]=4 2277 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [0,1,0,0,0,0|1,1,0]=3 2278 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [0,1,0,0,0,0|1,1,0]=3 2279 B10R0.71 COCCSCCOCC#N 62a_100000233755_200000047693 [0,1,0,0,0,0|1,1,1]=4 2280 B10R0.71 COCCSCCOCC#N 62a_200000047693_100000233755 [0,1,0,0,0,0|1,1,1]=4 2281 B10R0.71 COCCSCCOCCO 62a_100000233755_100011215305 [0,1,0,0,0,0|0,1,0]=2 2282 B10R0.71 COCCSCCOCCO 62a_100011215305_100000233755 [0,1,0,0,0,0|0,1,0]=2 2283 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [0,1,0,0,0,0|3,0,0]=4 2284 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [0,1,0,0,0,0|3,0,0]=4 2285 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [0,1,0,0,0,0|3,0,0]=4 2286 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [0,1,0,0,0,0|2,1,0]=4 2287 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [0,1,0,0,0,0|2,1,0]=4 2288 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [0,1,0,0,0,0|3,0,0]=4 2289 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [0,1,0,0,0,0|3,0,0]=4 2290 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [0,1,0,0,0,0|2,1,0]=4 2291 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [0,1,0,0,0,0|2,1,0]=4 2292 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [0,1,0,0,0,0|2,1,0]=4 2293 B10R0.71 CSCCNCCOCCO 2230a_100000211614_100000751147 [0,1,0,0,0,0|1,1,0]=3 2294 B10R0.71 CSCCNCCOCCO 2230a_100020590264_100011215305 [0,1,0,0,0,0|1,1,0]=3 2295 B10R0.71 CSCCNCCOCCO 34a_100000211614_100000212216 [0,1,0,0,0,0|1,1,0]=3 2296 B10R0.71 CSCCNCCSCCO 2230a_100011219999_100000751147 [0,1,0,0,0,0|1,2,0]=4 2297 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [0,1,0,0,0,0|2,1,0]=4 2298 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [0,1,0,0,0,0|2,1,0]=4 2299 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [0,1,0,0,0,0|2,1,0]=4 2300 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [0,1,0,0,0,0|2,1,0]=4 2301 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [0,1,0,0,0,0|2,1,0]=4 2302 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [0,1,0,0,0,0|2,1,0]=4 2303 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [0,1,0,0,0,0|2,1,0]=4 2304 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [0,1,0,0,0,0|2,1,0]=4 2305 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [0,1,0,0,0,0|2,1,0]=4 2306 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [0,1,0,0,0,0|1,1,0]=3 2307 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [0,1,0,0,0,0|1,1,0]=3 2308 B10R0.71 CSCCOCCOCC#N 7a_100000230434_200000047693 [0,1,0,0,0,0|1,1,1]=4 2309 B10R0.71 CSCCOCCOCCBr 34a_100000692535_100000212216 [0,1,0,0,0,0|1,1,0]=3 2310 B10R0.71 CSCCOCCOCCBr 7a_100000692535_100000212216 [0,1,0,0,0,0|1,1,0]=3 2311 B10R0.71 CSCCOCCOCCCl 34a_100011215305_100000212216 [0,1,0,0,0,0|1,1,0]=3 2312 B10R0.71 CSCCOCCOCCCl 7a_100011215305_100000212216 [0,1,0,0,0,0|1,1,0]=3 2313 B10R0.71 CSCCOCCOCCF 34a_200015357709_100000212216 [0,1,0,0,0,0|1,1,0]=3 2314 B10R0.71 CSCCOCCOCCF 7a_200015357709_100000212216 [0,1,0,0,0,0|1,1,0]=3 2315 B10R0.71 CSCCOCCOCCI 34a_100012149058_100000212216 [0,1,0,0,0,0|1,1,0]=3 2316 B10R0.71 CSCCOCCOCCI 7a_100012149058_100000212216 [0,1,0,0,0,0|1,1,0]=3 2317 B10R0.71 CSCCOCCOCCN 34a_100000211614_100000212216 [0,1,0,0,0,0|1,1,0]=3 2318 B10R0.71 CSCCOCCOCCO 34a_100000230434_100000692535 [0,1,0,0,0,0|0,1,0]=2 2319 B10R0.71 CSCCOCCOCCO 62a_100000032323_200000210301 [0,1,0,0,0,0|0,1,0]=2 2320 B10R0.71 CSCCOCCOCCO 62a_200000210301_100000032323 [0,1,0,0,0,0|0,1,0]=2 2321 B10R0.71 CSCCOCCOCCO 7a_100000230434_100011215305 [0,1,0,0,0,0|0,1,0]=2 2322 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [0,1,0,0,0,0|1,2,0]=4 2323 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [0,1,0,0,0,0|1,2,0]=4 2324 B10R0.71 CSCCSCCOCCO 62a_100000212216_100011215305 [0,1,0,0,0,0|0,2,0]=3 2325 B10R0.71 CSCCSCCOCCO 62a_100011215305_100000751147 [0,1,0,0,0,0|0,2,0]=3 2326 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [0,1,0,0,0,0|3,0,0]=4 2327 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [0,1,0,0,0,0|3,0,0]=4 2328 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [0,1,0,0,0,0|3,0,0]=4 2329 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [0,1,0,0,0,0|3,0,0]=4 2330 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [0,1,0,0,0,0|3,0,0]=4 2331 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [0,1,0,0,0,0|3,0,0]=4 2332 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [0,1,0,0,0,0|3,0,0]=4 2333 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [0,1,0,0,0,0|3,0,0]=4 2334 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [0,1,0,0,0,0|3,0,0]=4 2335 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [0,1,0,0,0,0|3,0,0]=4 2336 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [0,1,0,0,0,0|3,0,0]=4 2337 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [0,1,0,0,0,0|3,0,0]=4 2338 B10R0.71 FCCCOCCOCCBr 34a_100000692535_100011934791 [0,1,0,0,0,0|2,0,0]=3 2339 B10R0.71 FCCCOCCOCCBr 7a_100000692535_100011934791 [0,1,0,0,0,0|2,0,0]=3 2340 B10R0.71 FCCCOCCOCCCl 34a_100011215305_100011934791 [0,1,0,0,0,0|2,0,0]=3 2341 B10R0.71 FCCCOCCOCCCl 7a_100011215305_100011934791 [0,1,0,0,0,0|2,0,0]=3 2342 B10R0.71 FCCCOCCOCCF 34a_200015357709_100011934791 [0,1,0,0,0,0|2,0,0]=3 2343 B10R0.71 FCCCOCCOCCF 7a_200015357709_100011934791 [0,1,0,0,0,0|2,0,0]=3 2344 B10R0.71 FCCCOCCOCCI 34a_100012149058_100011934791 [0,1,0,0,0,0|2,0,0]=3 2345 B10R0.71 FCCCOCCOCCI 7a_100012149058_100011934791 [0,1,0,0,0,0|2,0,0]=3 2346 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [0,1,0,0,0,0|3,0,0]=4 2347 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [0,1,0,0,0,0|3,0,0]=4 2348 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [0,1,0,0,0,0|3,0,0]=4 2349 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [0,1,0,0,0,0|3,0,0]=4 2350 B10R0.71 N#CCCCCCNCCO 2230a_100016997473_100009813376 [0,1,0,0,0,0|3,0,0]=4 2351 B10R0.71 N#CCCCCCSCCO 62a_100000211926_100009813376 [0,1,0,0,0,0|2,1,0]=4 2352 B10R0.71 N#CCCCCCSCCO 62a_100009813376_100000211926 [0,1,0,0,0,0|2,1,0]=4 2353 B10R0.71 N#CCCNCCCCCO 2230a_100000762737_100011215226 [0,1,0,0,0,0|3,0,0]=4 2354 B10R0.71 N#CCCNCCOCCO 2230a_100000211614_100011215226 [0,1,0,0,0,0|2,0,0]=3 2355 B10R0.71 N#CCCNCCSCCO 2230a_100011219999_100011215226 [0,1,0,0,0,0|2,1,0]=4 2356 B10R0.71 N#CCCOCCCCCBr 7a_100000746331_100000184422 [0,1,0,0,0,0|3,0,0]=4 2357 B10R0.71 N#CCCOCCCCCCl 7a_100000746330_100000184422 [0,1,0,0,0,0|3,0,0]=4 2358 B10R0.71 N#CCCOCCCCCI 7a_200012148887_100000184422 [0,1,0,0,0,0|3,0,0]=4 2359 B10R0.71 N#CCCOCCOCCBr 7a_100000692535_100000184422 [0,1,0,0,0,0|2,0,0]=3 2360 B10R0.71 N#CCCOCCOCCCl 7a_100011215305_100000184422 [0,1,0,0,0,0|2,0,0]=3 2361 B10R0.71 N#CCCOCCOCCF 7a_200015357709_100000184422 [0,1,0,0,0,0|2,0,0]=3 2362 B10R0.71 N#CCCOCCOCCI 7a_100012149058_100000184422 [0,1,0,0,0,0|2,0,0]=3 2363 B10R0.71 N#CCCSCCCCCO 62a_100000746330_100011215226 [0,1,0,0,0,0|2,1,0]=4 2364 B10R0.71 N#CCCSCCCCCO 62a_100011215226_100000746330 [0,1,0,0,0,0|2,1,0]=4 2365 B10R0.71 N#CCCSCCOCCO 62a_100011215226_100011215305 [0,1,0,0,0,0|1,1,0]=3 2366 B10R0.71 N#CCCSCCOCCO 62a_100011215305_100011215226 [0,1,0,0,0,0|1,1,0]=3 2367 B10R0.71 N#CCOCCSCCCO 62a_100011215043_200000047693 [0,1,0,0,0,0|1,1,1]=4 2368 B10R0.71 N#CCOCCSCCCO 62a_200000047693_100011215043 [0,1,0,0,0,0|1,1,1]=4 2369 B10R0.71 N#CSCSCCOCCO 62a_100000211825_100011215305 [0,1,0,0,0,0|1,1,1]=4 2370 B10R0.71 N#CSCSCCOCCO 62a_100011215305_100000211825 [0,1,0,0,0,0|1,1,1]=4 2371 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|3,0,0]=4 2372 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|2,0,0]=3 2373 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|3,0,0]=4 2374 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|2,0,0]=3 2375 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|3,0,0]=4 2376 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [0,1,0,0,0,0|3,0,0]=4 2377 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [0,1,0,0,0,0|2,0,0]=3 2378 B10R0.71 NCCCOCCOCCO 34a_100000182051_100000692535 [0,1,0,0,0,0|1,0,0]=2 2379 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [0,1,0,0,0,0|3,0,0]=4 2380 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [0,1,0,0,0,0|2,0,0]=3 2381 B10R0.71 NCCOCCOCCCF 34a_100000211614_100011934791 [0,1,0,0,0,0|2,0,0]=3 2382 B10R0.71 NCCOCCOCCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|1,0,0]=2 2383 B10R0.71 NOCCOCCCCCF 34a_100000700252_100000729378 [0,1,0,0,0,0|2,0,0]=3 2384 B10R0.71 NOCCOCCCCCO 34a_100000700252_100000746330 [0,1,0,0,0,0|1,0,0]=2 2385 B10R0.71 NOCCOCCOCCO 34a_100000700252_100000692535 [0,1,0,0,0,0|0,0,0]=1 2386 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [0,1,0,0,0,0|2,0,1]=4 2387 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [0,1,0,0,0,0|1,1,1]=4 2388 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [0,1,0,0,0,0|1,1,1]=4 2389 B10R0.71 OCC#CCNCCCCO 2230a_100000750430_200000047223 [0,1,0,0,0,0|2,0,1]=4 2390 B10R0.71 OCC#CCNCCCCO 34a_100000750430_200000047223 [0,1,0,0,0,0|2,0,1]=4 2391 B10R0.71 OCC#CCSCCCCO 62a_100000210776_200000047223 [0,1,0,0,0,0|2,0,1]=4 2392 B10R0.71 OCC#CCSCCCCO 62a_200000047223_100000210776 [0,1,0,0,0,0|2,0,1]=4 2393 B10R0.71 OCCCCC=NNCCO 4a_100000210001_100000031955 [0,1,0,0,0,0|2,0,1]=4 2394 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [0,1,0,0,0,0|3,0,0]=4 2395 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [0,1,0,0,0,0|3,0,0]=4 2396 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [0,1,0,0,0,0|3,0,0]=4 2397 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [0,1,0,0,0,0|3,0,0]=4 2398 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [0,1,0,0,0,0|3,0,0]=4 2399 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [0,1,0,0,0,0|3,0,0]=4 2400 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [0,1,0,0,0,0|2,0,0]=3 2401 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [0,1,0,0,0,0|2,0,0]=3 2402 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [0,1,0,0,0,0|2,0,0]=3 2403 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [0,1,0,0,0,0|2,0,0]=3 2404 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [0,1,0,0,0,0|2,0,0]=3 2405 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [0,1,0,0,0,0|2,1,0]=4 2406 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [0,1,0,0,0,0|2,1,0]=4 2407 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [0,1,0,0,0,0|1,1,0]=3 2408 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [0,1,0,0,0,0|1,1,0]=3 2409 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [0,1,0,0,0,0|3,0,0]=4 2410 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [0,1,0,0,0,0|3,0,0]=4 2411 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [0,1,0,0,0,0|3,0,0]=4 2412 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [0,1,0,0,0,0|3,0,0]=4 2413 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [0,1,0,0,0,0|2,0,0]=3 2414 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [0,1,0,0,0,0|2,0,0]=3 2415 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [0,1,0,0,0,0|2,0,0]=3 2416 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [0,1,0,0,0,0|2,0,0]=3 2417 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [0,1,0,0,0,0|2,0,0]=3 2418 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [0,1,0,0,0,0|2,1,0]=4 2419 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [0,1,0,0,0,0|2,1,0]=4 2420 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [0,1,0,0,0,0|1,1,0]=3 2421 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [0,1,0,0,0,0|1,1,0]=3 2422 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [0,1,0,0,0,0|3,0,0]=4 2423 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [0,1,0,0,0,0|3,0,0]=4 2424 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [0,1,0,0,0,0|2,0,0]=3 2425 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [0,1,0,0,0,0|2,0,0]=3 2426 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [0,1,0,0,0,0|3,0,0]=4 2427 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [0,1,0,0,0,0|3,0,0]=4 2428 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [0,1,0,0,0,0|3,0,0]=4 2429 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [0,1,0,0,0,0|3,0,0]=4 2430 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [0,1,0,0,0,0|3,0,0]=4 2431 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [0,1,0,0,0,0|3,0,0]=4 2432 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [0,1,0,0,0,0|3,0,0]=4 2433 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [0,1,0,0,0,0|3,0,0]=4 2434 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [0,1,0,0,0,0|2,0,0]=3 2435 B10R0.71 OCCCNCCOCCO 2230a_100000211614_100000230001 [0,1,0,0,0,0|1,0,0]=2 2436 B10R0.71 OCCCNCCOCCO 34a_100000211614_100000230001 [0,1,0,0,0,0|1,0,0]=2 2437 B10R0.71 OCCCNCCSCCO 2230a_100011219999_100000230001 [0,1,0,0,0,0|1,1,0]=3 2438 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [0,1,0,0,0,0|2,0,0]=3 2439 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [0,1,0,0,0,0|2,0,0]=3 2440 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [0,1,0,0,0,0|2,0,0]=3 2441 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [0,1,0,0,0,0|2,0,0]=3 2442 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [0,1,0,0,0,0|2,0,0]=3 2443 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [0,1,0,0,0,0|2,0,0]=3 2444 B10R0.71 OCCCOCCCNCF 34a_100011310245_100015361967 [0,1,0,0,0,0|3,0,0]=4 2445 B10R0.71 OCCCOCCOCCBr 34a_100000692535_100000230001 [0,1,0,0,0,0|1,0,0]=2 2446 B10R0.71 OCCCOCCOCCBr 7a_100000692535_100011215043 [0,1,0,0,0,0|1,0,0]=2 2447 B10R0.71 OCCCOCCOCCCl 34a_100011215305_100000230001 [0,1,0,0,0,0|1,0,0]=2 2448 B10R0.71 OCCCOCCOCCCl 7a_100011215305_100011215043 [0,1,0,0,0,0|1,0,0]=2 2449 B10R0.71 OCCCOCCOCCF 34a_200015357709_100000230001 [0,1,0,0,0,0|1,0,0]=2 2450 B10R0.71 OCCCOCCOCCF 7a_200015357709_100011215043 [0,1,0,0,0,0|1,0,0]=2 2451 B10R0.71 OCCCOCCOCCI 34a_100012149058_100000230001 [0,1,0,0,0,0|1,0,0]=2 2452 B10R0.71 OCCCOCCOCCI 7a_100012149058_100011215043 [0,1,0,0,0,0|1,0,0]=2 2453 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [0,1,0,0,0,0|2,1,0]=4 2454 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [0,1,0,0,0,0|2,1,0]=4 2455 B10R0.71 OCCCSCCOCCO 62a_100011215043_100011215305 [0,1,0,0,0,0|0,1,0]=2 2456 B10R0.71 OCCCSCCOCCO 62a_100011215305_100011215043 [0,1,0,0,0,0|0,1,0]=2 2457 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [0,1,0,0,0,0|3,0,0]=4 2458 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [0,1,0,0,0,0|3,0,0]=4 2459 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [0,1,0,0,0,0|2,0,0]=3 2460 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [0,1,0,0,0,0|2,0,0]=3 2461 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [0,1,0,0,0,0|2,0,0]=3 2462 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [0,1,0,0,0,0|2,0,0]=3 2463 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [0,1,0,0,0,0|2,0,0]=3 2464 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [0,1,0,0,0,0|2,0,0]=3 2465 B10R0.71 OCCOCCNCCCF 2230a_100000211614_100011934791 [0,1,0,0,0,0|2,0,0]=3 2466 B10R0.71 OCCOCCNCCCF 2230a_100015189416_100011215305 [0,1,0,0,0,0|2,0,0]=3 2467 B10R0.71 OCCOCCNCCCF 34a_100000211614_100011934791 [0,1,0,0,0,0|2,0,0]=3 2468 B10R0.71 OCCOCCNCCCF 34a_100015189416_100000692535 [0,1,0,0,0,0|2,0,0]=3 2469 B10R0.71 OCCOCCOCCCBr 34a_100011217188_100000692535 [0,1,0,0,0,0|1,0,0]=2 2470 B10R0.71 OCCOCCOCCCCl 34a_100000230001_100000692535 [0,1,0,0,0,0|1,0,0]=2 2471 B10R0.71 OCCOCCOCCCF 34a_100000759539_100000692535 [0,1,0,0,0,0|1,0,0]=2 2472 B10R0.71 OCCOCCSCCCF 62a_100011215305_100011934791 [0,1,0,0,0,0|1,1,0]=3 2473 B10R0.71 OCCOCCSCCCF 62a_100011934791_100011215305 [0,1,0,0,0,0|1,1,0]=3 2474 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [0,1,0,0,0,0|2,1,0]=4 2475 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [0,1,0,0,0,0|2,1,0]=4 2476 B10R0.71 OCCSCCNCCCF 2230a_100011219999_100011934791 [0,1,0,0,0,0|2,1,0]=4 2477 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [0,1,0,0,0,0|3,0,0]=4 2478 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [0,1,0,0,0,0|3,0,0]=4 2479 B10R0.71 [13CH3]NCCOCCOCCO 2230a_100011998139_200025704644 [0,1,0,0,0,0|1,0,0]=2 2480 B10R0.71 [13CH3]NCCOCCOCCO 34a_100011998139_200025704644 [0,1,0,0,0,0|1,0,0]=2 2481 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [0,1,0,0,0,0|3,0,0]=4 2482 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [0,1,0,0,0,0|3,0,0]=4 2483 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [0,1,0,0,0,0|3,0,0]=4 2484 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [0,1,0,0,0,0|3,0,0]=4 2485 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [0,1,0,0,0,0|3,0,0]=4 2486 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [0,1,0,0,0,0|3,0,0]=4 2487 B10R0.71 [13CH3]OCCOCCOCCBr 34a_100010132937_200025704644 [0,1,0,0,0,0|1,0,0]=2 2488 B10R0.71 [13CH3]OCCOCCOCCBr 7a_100010132937_200025704644 [0,1,0,0,0,0|1,0,0]=2 2489 B10R0.71 [13CH3]OCCOCCOCCCl 34a_100000032323_200025704644 [0,1,0,0,0,0|1,0,0]=2 2490 B10R0.71 [13CH3]OCCOCCOCCCl 7a_100000032323_200025704644 [0,1,0,0,0,0|1,0,0]=2 2491 B10R0.71 [13CH3]OCCOCCOCCN 34a_100011998139_200025704644 [0,1,0,0,0,0|1,0,0]=2 2492 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [0,1,0,0,0,0|2,1,0]=4 2493 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [0,1,0,0,0,0|2,1,0]=4 2494 B10R0.71 [13CH3]SCCOCCOCCO 62a_100000032323_200025704644 [0,1,0,0,0,0|0,1,0]=2 2495 B10R0.71 [13CH3]SCCOCCOCCO 62a_200025704644_100000032323 [0,1,0,0,0,0|0,1,0]=2 2496 B10R0.74 C#CC(C)NCCOCCO 2230a_100000707721_100011215305 [0,1,0,0,0,0|2,0,1]=4 2497 B10R0.74 C#CC(C)NCCOCCO 34a_100000211614_200000035995 [0,1,0,0,0,0|2,0,1]=4 2498 B10R0.74 C#CC(C)NCCOCCO 34a_100000707721_100000692535 [0,1,0,0,0,0|2,0,1]=4 2499 B10R0.74 C#CC(C)OCCOCCBr 34a_100000692535_200000035995 [0,1,0,0,0,0|2,0,1]=4 2500 B10R0.74 C#CC(C)OCCOCCC 34a_100000752267_200000035995 [0,1,0,0,0,0|2,0,1]=4 2501 B10R0.74 C#CC(C)OCCOCCCl 34a_100011215305_200000035995 [0,1,0,0,0,0|2,0,1]=4 2502 B10R0.74 C#CC(C)OCCOCCF 34a_200015357709_200000035995 [0,1,0,0,0,0|2,0,1]=4 2503 B10R0.74 C#CC(C)OCCOCCI 34a_100012149058_200000035995 [0,1,0,0,0,0|2,0,1]=4 2504 B10R0.74 C#CC(C)OCCOCCN 34a_100000211614_200000035995 [0,1,0,0,0,0|2,0,1]=4 2505 B10R0.74 C#CC(C)SCCOCCO 62a_200000035995_100011215305 [0,1,0,0,0,0|1,1,1]=4 2506 B10R0.74 C#CCCCCOC(C)CO 34a_100000766709_100012180447 [0,1,0,0,0,0|2,0,1]=4 2507 B10R0.74 C#CCCCCOC(C)CO 7a_100000766709_100012180447 [0,1,0,0,0,0|2,0,1]=4 2508 B10R0.74 C#CCOCCNC(C)CO 2230a_100000700922_100012180447 [0,1,0,0,0,0|2,0,1]=4 2509 B10R0.74 C#CCOCCNC(C)CO 34a_100000700922_100012180447 [0,1,0,0,0,0|2,0,1]=4 2510 B10R0.74 C#CCOCCN[C@H](C)CO 2230a_100000737577_100010402529 [0,1,0,0,0,0|2,0,1]=4 2511 B10R0.74 C#CCOCCOC(C)CC 34a_100000054580_100011215416 [0,1,0,0,0,0|2,0,1]=4 2512 B10R0.74 C#CCOCCOC(C)CC 7a_100000054580_100000758301 [0,1,0,0,0,0|2,0,1]=4 2513 B10R0.74 C#CCOCCOC(C)CC 7a_100000210228_100010402529 [0,1,0,0,0,0|2,0,1]=4 2514 B10R0.74 C#CCOCCOC(C)CF 34a_100016041109_100010402529 [0,1,0,0,0,0|2,0,1]=4 2515 B10R0.74 C#CCOCCOC(C)CF 7a_100016041109_100010402529 [0,1,0,0,0,0|2,0,1]=4 2516 B10R0.74 C#CCOCCOC(C)CN 34a_100000210904_100010402529 [0,1,0,0,0,0|2,0,1]=4 2517 B10R0.74 C#CCOCCOC(C)CO 34a_100000054580_100012180447 [0,1,0,0,0,0|1,0,1]=3 2518 B10R0.74 C#CCOCCOC(C)CO 7a_100000054580_100012180447 [0,1,0,0,0,0|1,0,1]=3 2519 B10R0.74 C#CCOCCSC(C)CO 62a_100012180447_100010402529 [0,1,0,0,0,0|1,1,1]=4 2520 B10R0.74 C#CCOCCS[C@H](C)CO 62a_100010402529_100016084084 [0,1,0,0,0,0|1,1,1]=4 2521 B10R0.74 C#CCOCCS[C@H](C)CO 62a_100016084084_100010402529 [0,1,0,0,0,0|1,1,1]=4 2522 B10R0.74 C#C[C@@H](C)OCCCCCO 34a_100009815206_100000746330 [0,1,0,0,0,0|2,0,1]=4 2523 B10R0.74 C#C[C@@H](C)OCCCCCO 7a_100009815206_100000746330 [0,1,0,0,0,0|2,0,1]=4 2524 B10R0.74 C#C[C@@H](C)OCCOCCC 34a_100009815206_100011215938 [0,1,0,0,0,0|2,0,1]=4 2525 B10R0.74 C#C[C@@H](C)OCCOCCC 7a_100009815206_100011215938 [0,1,0,0,0,0|2,0,1]=4 2526 B10R0.74 C#C[C@@H](C)OCCOCCO 34a_100009815206_100000692535 [0,1,0,0,0,0|1,0,1]=3 2527 B10R0.74 C#C[C@@H](C)OCCOCCO 7a_100009815206_100011215305 [0,1,0,0,0,0|1,0,1]=3 2528 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [0,1,0,0,0,0|2,0,1]=4 2529 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [0,1,0,0,0,0|2,0,1]=4 2530 B10R0.74 C=CC(C)OCCOCCO 34a_100000695699_100000692535 [0,1,0,0,0,0|1,0,1]=3 2531 B10R0.74 C=CC(C)SCCOCCO 62a_100011215867_100011215305 [0,1,0,0,0,0|1,1,1]=4 2532 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,1,0,0,0,0|2,0,1]=4 2533 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,1,0,0,0,0|2,0,1]=4 2534 B10R0.74 C=CCOCCOC(C)CC 34a_100000037705_100011215416 [0,1,0,0,0,0|2,0,1]=4 2535 B10R0.74 C=CCOCCOC(C)CC 7a_100000037705_100000758301 [0,1,0,0,0,0|2,0,1]=4 2536 B10R0.74 C=CCOCCOC(C)CO 34a_100000037705_100012180447 [0,1,0,0,0,0|1,0,1]=3 2537 B10R0.74 C=CCOCCOC(C)CO 7a_100000037705_100012180447 [0,1,0,0,0,0|1,0,1]=3 2538 B10R0.74 CC(C#N)NCCOCCO 2230a_100000211614_100000184139 [0,1,0,0,0,0|2,0,1]=4 2539 B10R0.74 CC(C#N)NCCOCCO 2230a_100000737613_100011215305 [0,1,0,0,0,0|2,0,1]=4 2540 B10R0.74 CC(C#N)OCCCCCO 34a_100011218135_100000746330 [0,1,0,0,0,0|2,0,1]=4 2541 B10R0.74 CC(C#N)OCCOCCBr 7a_100000692535_100000703298 [0,1,0,0,0,0|2,0,1]=4 2542 B10R0.74 CC(C#N)OCCOCCCl 7a_100011215305_100000703298 [0,1,0,0,0,0|2,0,1]=4 2543 B10R0.74 CC(C#N)OCCOCCF 7a_200015357709_100000703298 [0,1,0,0,0,0|2,0,1]=4 2544 B10R0.74 CC(C#N)OCCOCCI 7a_100012149058_100000703298 [0,1,0,0,0,0|2,0,1]=4 2545 B10R0.74 CC(C#N)OCCOCCO 34a_100011218135_100000692535 [0,1,0,0,0,0|1,0,1]=3 2546 B10R0.74 CC(C#N)SCCOCCO 62a_100000703298_100011215305 [0,1,0,0,0,0|1,1,1]=4 2547 B10R0.74 CC(C#N)SCCOCCO 62a_100011215305_100000703298 [0,1,0,0,0,0|1,1,1]=4 2548 B10R0.74 CC(CF)OCCCCCF 34a_100016041109_100000729378 [0,1,0,0,0,0|3,0,0]=4 2549 B10R0.74 CC(CF)OCCCCCF 7a_100016041109_100000729378 [0,1,0,0,0,0|3,0,0]=4 2550 B10R0.74 CC(CF)OCCCCCO 34a_100016041109_100000746330 [0,1,0,0,0,0|2,0,0]=3 2551 B10R0.74 CC(CF)OCCCCCO 7a_100016041109_100000746330 [0,1,0,0,0,0|2,0,0]=3 2552 B10R0.74 CC(CF)OCCOCC#N 7a_100016041109_200000047693 [0,1,0,0,0,0|2,0,1]=4 2553 B10R0.74 CC(CF)OCCOCCO 34a_100016041109_100000692535 [0,1,0,0,0,0|1,0,0]=2 2554 B10R0.74 CC(CF)OCCOCCO 7a_100016041109_100011215305 [0,1,0,0,0,0|1,0,0]=2 2555 B10R0.74 CC(CN)OCCCCCF 34a_100000210904_100000729378 [0,1,0,0,0,0|3,0,0]=4 2556 B10R0.74 CC(CN)OCCCCCO 34a_100000210904_100000746330 [0,1,0,0,0,0|2,0,0]=3 2557 B10R0.74 CC(CN)OCCOCCO 34a_100000210904_100000692535 [0,1,0,0,0,0|1,0,0]=2 2558 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,1,0,0,0,0|3,0,0]=4 2559 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,1,0,0,0,0|3,0,0]=4 2560 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,1,0,0,0,0|3,0,0]=4 2561 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 2562 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 2563 B10R0.74 CC(CO)NCCOCCO 2230a_100000211614_100012180447 [0,1,0,0,0,0|1,0,0]=2 2564 B10R0.74 CC(CO)NCCOCCO 34a_100000211614_100012180447 [0,1,0,0,0,0|1,0,0]=2 2565 B10R0.74 CC(CO)NCCSCCO 2230a_100011219999_100012180447 [0,1,0,0,0,0|1,1,0]=3 2566 B10R0.74 CC(CO)OCCCCCBr 34a_100000746331_100012180447 [0,1,0,0,0,0|2,0,0]=3 2567 B10R0.74 CC(CO)OCCCCCBr 7a_100000746331_100012180447 [0,1,0,0,0,0|2,0,0]=3 2568 B10R0.74 CC(CO)OCCCCCCl 34a_100000746330_100012180447 [0,1,0,0,0,0|2,0,0]=3 2569 B10R0.74 CC(CO)OCCCCCCl 7a_100000746330_100012180447 [0,1,0,0,0,0|2,0,0]=3 2570 B10R0.74 CC(CO)OCCCCCI 34a_200012148887_100012180447 [0,1,0,0,0,0|2,0,0]=3 2571 B10R0.74 CC(CO)OCCCCCI 7a_200012148887_100012180447 [0,1,0,0,0,0|2,0,0]=3 2572 B10R0.74 CC(CO)OCCCCCN 34a_100000762737_100012180447 [0,1,0,0,0,0|2,0,0]=3 2573 B10R0.74 CC(CO)OCCOCCBr 34a_100000692535_100012180447 [0,1,0,0,0,0|1,0,0]=2 2574 B10R0.74 CC(CO)OCCOCCBr 7a_100000692535_100012180447 [0,1,0,0,0,0|1,0,0]=2 2575 B10R0.74 CC(CO)OCCOCCCl 34a_100011215305_100012180447 [0,1,0,0,0,0|1,0,0]=2 2576 B10R0.74 CC(CO)OCCOCCCl 7a_100011215305_100012180447 [0,1,0,0,0,0|1,0,0]=2 2577 B10R0.74 CC(CO)OCCOCCF 34a_200015357709_100012180447 [0,1,0,0,0,0|1,0,0]=2 2578 B10R0.74 CC(CO)OCCOCCF 7a_200015357709_100012180447 [0,1,0,0,0,0|1,0,0]=2 2579 B10R0.74 CC(CO)OCCOCCI 34a_100012149058_100012180447 [0,1,0,0,0,0|1,0,0]=2 2580 B10R0.74 CC(CO)OCCOCCI 7a_100012149058_100012180447 [0,1,0,0,0,0|1,0,0]=2 2581 B10R0.74 CC(CO)OCCOCCN 34a_100000211614_100012180447 [0,1,0,0,0,0|1,0,0]=2 2582 B10R0.74 CC(CO)SCCCCCF 62a_100012180447_100000729378 [0,1,0,0,0,0|2,1,0]=4 2583 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,1,0,0,0,0|1,1,0]=3 2584 B10R0.74 CC(CO)SCCOCC#N 62a_100012180447_200000047693 [0,1,0,0,0,0|1,1,1]=4 2585 B10R0.74 CC(CO)SCCOCCO 62a_100012180447_100011215305 [0,1,0,0,0,0|0,1,0]=2 2586 B10R0.74 CC/C=C\CCOC(C)CO 34a_100016288707_100012180447 [0,1,0,0,0,0|2,0,1]=4 2587 B10R0.74 CC/C=C\CCOC(C)CO 7a_100016288707_100012180447 [0,1,0,0,0,0|2,0,1]=4 2588 B10R0.74 CCC#CCCOC(C)CO 34a_100000036655_100012180447 [0,1,0,0,0,0|2,0,1]=4 2589 B10R0.74 CCC#CCCOC(C)CO 7a_100000036655_100012180447 [0,1,0,0,0,0|2,0,1]=4 2590 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,1,0,0,0,0|2,0,1]=4 2591 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,1,0,0,0,0|2,0,1]=4 2592 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,1,0,0,0,0|2,0,1]=4 2593 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,1,0,0,0,0|2,0,1]=4 2594 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,1,0,0,0,0|1,0,1]=3 2595 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,1,0,0,0,0|3,0,0]=4 2596 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,1,0,0,0,0|2,0,0]=3 2597 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,1,0,0,0,0|3,0,0]=4 2598 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,1,0,0,0,0|3,0,0]=4 2599 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,1,0,0,0,0|3,0,0]=4 2600 B10R0.74 CCC(C)NCCOCCO 2230a_100000209981_100011215305 [0,1,0,0,0,0|2,0,0]=3 2601 B10R0.74 CCC(C)NCCOCCO 2230a_100000211614_100000758301 [0,1,0,0,0,0|2,0,0]=3 2602 B10R0.74 CCC(C)NCCOCCO 34a_100000211614_100011215416 [0,1,0,0,0,0|2,0,0]=3 2603 B10R0.74 CCC(C)NCCSCCO 2230a_100011219999_100000758301 [0,1,0,0,0,0|2,1,0]=4 2604 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,1,0,0,0,0|3,0,0]=4 2605 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,1,0,0,0,0|3,0,0]=4 2606 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,1,0,0,0,0|3,0,0]=4 2607 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,1,0,0,0,0|3,0,0]=4 2608 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,1,0,0,0,0|3,0,0]=4 2609 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,1,0,0,0,0|3,0,0]=4 2610 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,1,0,0,0,0|3,0,0]=4 2611 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,1,0,0,0,0|3,0,0]=4 2612 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,1,0,0,0,0|2,0,0]=3 2613 B10R0.74 CCC(C)OCCOCC#N 7a_100000210228_200000047693 [0,1,0,0,0,0|2,0,1]=4 2614 B10R0.74 CCC(C)OCCOCCBr 34a_100000692535_100011215416 [0,1,0,0,0,0|2,0,0]=3 2615 B10R0.74 CCC(C)OCCOCCBr 7a_100000692535_100000758301 [0,1,0,0,0,0|2,0,0]=3 2616 B10R0.74 CCC(C)OCCOCCCl 34a_100011215305_100011215416 [0,1,0,0,0,0|2,0,0]=3 2617 B10R0.74 CCC(C)OCCOCCCl 7a_100011215305_100000758301 [0,1,0,0,0,0|2,0,0]=3 2618 B10R0.74 CCC(C)OCCOCCF 34a_200015357709_100011215416 [0,1,0,0,0,0|2,0,0]=3 2619 B10R0.74 CCC(C)OCCOCCF 7a_200015357709_100000758301 [0,1,0,0,0,0|2,0,0]=3 2620 B10R0.74 CCC(C)OCCOCCI 34a_100012149058_100011215416 [0,1,0,0,0,0|2,0,0]=3 2621 B10R0.74 CCC(C)OCCOCCI 7a_100012149058_100000758301 [0,1,0,0,0,0|2,0,0]=3 2622 B10R0.74 CCC(C)OCCOCCN 34a_100000211614_100011215416 [0,1,0,0,0,0|2,0,0]=3 2623 B10R0.74 CCC(C)OCCOCCO 7a_100000210228_100011215305 [0,1,0,0,0,0|1,0,0]=2 2624 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,1,0,0,0,0|2,1,0]=4 2625 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,1,0,0,0,0|2,1,0]=4 2626 B10R0.74 CCC(C)SCCOCCO 62a_100000758301_100011215305 [0,1,0,0,0,0|1,1,0]=3 2627 B10R0.74 CCC(C)SCCOCCO 62a_100011215305_100000758301 [0,1,0,0,0,0|1,1,0]=3 2628 B10R0.74 CCC/C=C/COC(C)CO 34a_100016278788_100012180447 [0,1,0,0,0,0|2,0,1]=4 2629 B10R0.74 CCC/C=C/COC(C)CO 7a_100016278788_100012180447 [0,1,0,0,0,0|2,0,1]=4 2630 B10R0.74 CCCC#CCOC(C)CO 34a_100000034806_100012180447 [0,1,0,0,0,0|2,0,1]=4 2631 B10R0.74 CCCC#CCOC(C)CO 7a_100000034806_100012180447 [0,1,0,0,0,0|2,0,1]=4 2632 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,1,0,0,0,0|3,0,0]=4 2633 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,1,0,0,0,0|3,0,0]=4 2634 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,1,0,0,0,0|3,0,0]=4 2635 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,1,0,0,0,0|3,0,0]=4 2636 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,1,0,0,0,0|3,0,0]=4 2637 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,1,0,0,0,0|3,0,0]=4 2638 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,1,0,0,0,0|3,0,0]=4 2639 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,1,0,0,0,0|3,0,0]=4 2640 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,1,0,0,0,0|2,0,0]=3 2641 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,1,0,0,0,0|2,0,0]=3 2642 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,1,0,0,0,0|2,1,0]=4 2643 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,1,0,0,0,0|2,1,0]=4 2644 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,1,0,0,0,0|2,1,0]=4 2645 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,1,0,0,0,0|3,0,0]=4 2646 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,1,0,0,0,0|3,0,0]=4 2647 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 2648 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,1,0,0,0,0|2,0,1]=4 2649 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,1,0,0,0,0|3,0,0]=4 2650 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,1,0,0,0,0|3,0,0]=4 2651 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,1,0,0,0,0|3,0,0]=4 2652 B10R0.74 CCCOCCNC(C)CO 2230a_100161115042_100012180447 [0,1,0,0,0,0|2,0,0]=3 2653 B10R0.74 CCCOCCNC(C)CO 34a_100161115042_100012180447 [0,1,0,0,0,0|2,0,0]=3 2654 B10R0.74 CCCOCCN[C@H](C)CO 2230a_100000737577_100011215938 [0,1,0,0,0,0|2,0,0]=3 2655 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,1,0,0,0,0|2,0,1]=4 2656 B10R0.74 CCCOCCOC(C)C#N 34a_100011218135_100011215938 [0,1,0,0,0,0|2,0,1]=4 2657 B10R0.74 CCCOCCOC(C)C#N 7a_100000752267_100000703298 [0,1,0,0,0,0|2,0,1]=4 2658 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,1,0,0,0,0|2,0,0]=3 2659 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,1,0,0,0,0|2,0,0]=3 2660 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,1,0,0,0,0|2,0,0]=3 2661 B10R0.74 CCCOCCOC(C)CF 34a_100016041109_100011215938 [0,1,0,0,0,0|2,0,0]=3 2662 B10R0.74 CCCOCCOC(C)CF 7a_100016041109_100011215938 [0,1,0,0,0,0|2,0,0]=3 2663 B10R0.74 CCCOCCOC(C)CN 34a_100000210904_100011215938 [0,1,0,0,0,0|2,0,0]=3 2664 B10R0.74 CCCOCCOC(C)CO 34a_100000752267_100012180447 [0,1,0,0,0,0|1,0,0]=2 2665 B10R0.74 CCCOCCOC(C)CO 7a_100000752267_100012180447 [0,1,0,0,0,0|1,0,0]=2 2666 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,1,0,0,0,0|2,1,0]=4 2667 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,1,0,0,0,0|2,1,0]=4 2668 B10R0.74 CCCOCCSC(C)CO 62a_100012180447_100011215938 [0,1,0,0,0,0|1,1,0]=3 2669 B10R0.74 CCCOCCS[C@H](C)CO 62a_100011215938_100016084084 [0,1,0,0,0,0|1,1,0]=3 2670 B10R0.74 CCCOCCS[C@H](C)CO 62a_100016084084_100011215938 [0,1,0,0,0,0|1,1,0]=3 2671 B10R0.74 CCCSCCNC(C)CO 2230a_100020603323_100012180447 [0,1,0,0,0,0|2,1,0]=4 2672 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,1,0,0,0,0|2,1,0]=4 2673 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,1,0,0,0,0|2,1,0]=4 2674 B10R0.74 CCCSCCOC(C)CO 34a_200000230433_100012180447 [0,1,0,0,0,0|1,1,0]=3 2675 B10R0.74 CCCSCCOC(C)CO 7a_200000230433_100012180447 [0,1,0,0,0,0|1,1,0]=3 2676 B10R0.74 CCOCCCOC(C)CO 34a_100000757476_100012180447 [0,1,0,0,0,0|3,0,0]=4 2677 B10R0.74 CCOCCCOC(C)CO 7a_100000757476_100012180447 [0,1,0,0,0,0|3,0,0]=4 2678 B10R0.74 CCSCCCOC(C)CO 34a_100011216438_100012180447 [0,1,0,0,0,0|3,0,0]=4 2679 B10R0.74 CCSCCCOC(C)CO 7a_100011216438_100012180447 [0,1,0,0,0,0|3,0,0]=4 2680 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,1,0,0,0,0|2,0,1]=4 2681 B10R0.74 COC(C)SCCOCCO 62a_100009879195_100011215305 [0,1,0,0,0,0|2,1,0]=4 2682 B10R0.74 COC(C)SCCOCCO 62a_100011215305_100009879195 [0,1,0,0,0,0|2,1,0]=4 2683 B10R0.74 COCCCCOC(C)CO 34a_100000740925_100012180447 [0,1,0,0,0,0|3,0,0]=4 2684 B10R0.74 CSCCCCOC(C)CO 34a_100011217163_100012180447 [0,1,0,0,0,0|3,0,0]=4 2685 B10R0.74 CSCCCCOC(C)CO 7a_100011217163_100012180447 [0,1,0,0,0,0|3,0,0]=4 2686 B10R0.74 C[C@@H](CN)CCCOCCF 34a_100160569302_100011217306 [0,1,0,0,0,0|3,0,0]=4 2687 B10R0.74 C[C@@H](CN)CCCOCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|2,0,0]=3 2688 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,1,0,0,0,0|3,0,0]=4 2689 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,1,0,0,0,0|3,0,0]=4 2690 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,1,0,0,0,0|3,0,0]=4 2691 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,1,0,0,0,0|3,0,0]=4 2692 B10R0.74 C[C@H](CO)NCCCCCF 2230a_100000737577_100000729378 [0,1,0,0,0,0|3,0,0]=4 2693 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,1,0,0,0,0|2,0,0]=3 2694 B10R0.74 C[C@H](CO)NCCOCC#N 2230a_100000737577_200000047693 [0,1,0,0,0,0|2,0,1]=4 2695 B10R0.74 C[C@H](CO)NCCOCCO 2230a_100000737577_100011215305 [0,1,0,0,0,0|1,0,0]=2 2696 B10R0.74 C[C@H](CO)SCCCCCF 62a_100000729378_100016084084 [0,1,0,0,0,0|2,1,0]=4 2697 B10R0.74 C[C@H](CO)SCCCCCF 62a_100016084084_100000729378 [0,1,0,0,0,0|2,1,0]=4 2698 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,1,0,0,0,0|1,1,0]=3 2699 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,1,0,0,0,0|1,1,0]=3 2700 B10R0.74 C[C@H](CO)SCCOCC#N 62a_100016084084_200000047693 [0,1,0,0,0,0|1,1,1]=4 2701 B10R0.74 C[C@H](CO)SCCOCC#N 62a_200000047693_100016084084 [0,1,0,0,0,0|1,1,1]=4 2702 B10R0.74 C[C@H](CO)SCCOCCO 62a_100011215305_100016084084 [0,1,0,0,0,0|0,1,0]=2 2703 B10R0.74 C[C@H](CO)SCCOCCO 62a_100016084084_100011215305 [0,1,0,0,0,0|0,1,0]=2 2704 B10R0.74 N#CC(F)SCCOCCO 62a_100011215305_200000117898 [0,1,0,0,0,0|1,1,1]=4 2705 B10R0.74 N#CC(F)SCCOCCO 62a_200000117898_100011215305 [0,1,0,0,0,0|1,1,1]=4 2706 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,1,0,0,0,0|2,0,1]=4 2707 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,1,0,0,0,0|2,0,1]=4 2708 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,1,0,0,0,0|1,0,1]=3 2709 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,1,0,0,0,0|1,1,1]=4 2710 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,1,0,0,0,0|1,1,1]=4 2711 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,1,0,0,0,0|3,0,0]=4 2712 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,1,0,0,0,0|3,0,0]=4 2713 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,1,0,0,0,0|3,0,0]=4 2714 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,1,0,0,0,0|3,0,0]=4 2715 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,0,0,0,0|3,0,0]=4 2716 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,1,0,0,0,0|3,0,0]=4 2717 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,1,0,0,0,0|3,0,0]=4 2718 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,1,0,0,0,0|3,0,0]=4 2719 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,1,0,0,0,0|3,0,0]=4 2720 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,1,0,0,0,0|3,0,0]=4 2721 B10R0.91 C#CCOC(C)COCCC 34a_200000093152_100000210303 [0,1,0,0,0,0|2,0,1]=4 2722 B10R0.91 C#CCOC(C)COCCC 7a_200000093152_100000210303 [0,1,0,0,0,0|2,0,1]=4 2723 B10R0.91 C#CCOC(C)COCCF 34a_200000093152_100011217306 [0,1,0,0,0,0|2,0,1]=4 2724 B10R0.91 C#CCOC(C)COCCF 7a_200000093152_100011217306 [0,1,0,0,0,0|2,0,1]=4 2725 B10R0.91 C#CCOC(C)COCCO 34a_200000093152_100000211926 [0,1,0,0,0,0|1,0,1]=3 2726 B10R0.91 C#CCOC(C)COCCO 7a_200000093152_100000211926 [0,1,0,0,0,0|1,0,1]=3 2727 B10R0.91 C#CCOCC(C)OCCC 34a_100011025554_100000210303 [0,1,0,0,0,0|2,0,1]=4 2728 B10R0.91 C#CCOCC(C)OCCC 7a_100011025554_100000210303 [0,1,0,0,0,0|2,0,1]=4 2729 B10R0.91 C#CCOCC(C)OCCF 34a_100011025554_100011217306 [0,1,0,0,0,0|2,0,1]=4 2730 B10R0.91 C#CCOCC(C)OCCF 7a_100011025554_100011217306 [0,1,0,0,0,0|2,0,1]=4 2731 B10R0.91 C#CCOCC(C)OCCO 34a_100011025554_100000211926 [0,1,0,0,0,0|1,0,1]=3 2732 B10R0.91 C#CCOCC(C)OCCO 7a_100011025554_100000211926 [0,1,0,0,0,0|1,0,1]=3 2733 B10R0.91 CCC#CCC(C)OCCO 34a_200000035118_100000211926 [0,1,0,0,0,0|2,0,1]=4 2734 B10R0.91 CCC#CCC(C)OCCO 7a_200000035118_100000211926 [0,1,0,0,0,0|2,0,1]=4 2735 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,1,0,0,0,0|2,0,1]=4 2736 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,1,0,0,0,0|3,0,0]=4 2737 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,1,0,0,0,0|3,0,0]=4 2738 B10R0.91 CCCCC(C)COCCF 34a_100011995851_100011217306 [0,1,0,0,0,0|3,0,0]=4 2739 B10R0.91 CCCCC(C)COCCF 7a_100011995851_100011217306 [0,1,0,0,0,0|3,0,0]=4 2740 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [0,1,0,0,0,0|2,0,0]=3 2741 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [0,1,0,0,0,0|2,0,0]=3 2742 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,1,0,0,0,0|3,0,0]=4 2743 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,1,0,0,0,0|3,0,0]=4 2744 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,1,0,0,0,0|3,0,0]=4 2745 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,1,0,0,0,0|3,0,0]=4 2746 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,1,0,0,0,0|3,0,0]=4 2747 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,1,0,0,0,0|3,0,0]=4 2748 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,1,0,0,0,0|3,0,0]=4 2749 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,1,0,0,0,0|3,0,0]=4 2750 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,1,0,0,0,0|3,0,0]=4 2751 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,1,0,0,0,0|3,0,0]=4 2752 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,1,0,0,0,0|3,0,0]=4 2753 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,1,0,0,0,0|2,0,0]=3 2754 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,1,0,0,0,0|2,0,0]=3 2755 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,1,0,0,0,0|2,1,0]=4 2756 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,1,0,0,0,0|2,1,0]=4 2757 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,1,0,0,0,0|3,0,0]=4 2758 B10R0.91 CCCC[C@H](N)COCCF 34a_100011934283_100011217306 [0,1,0,0,0,0|3,0,0]=4 2759 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [0,1,0,0,0,0|2,0,0]=3 2760 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [0,1,0,0,0,0|2,0,1]=4 2761 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [0,1,0,0,0,0|2,0,1]=4 2762 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [0,1,0,0,0,0|3,0,0]=4 2763 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [0,1,0,0,0,0|3,0,0]=4 2764 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [0,1,0,0,0,0|3,0,0]=4 2765 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [0,1,0,0,0,0|3,0,0]=4 2766 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,1,0,0,0,0|2,0,1]=4 2767 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,1,0,0,0,0|2,0,1]=4 2768 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,1,0,0,0,0|2,0,1]=4 2769 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,1,0,0,0,0|2,0,1]=4 2770 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,1,0,0,0,0|1,1,1]=4 2771 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,1,0,0,0,0|1,1,1]=4 2772 B10R0.91 CCCOC(C)CNCCF 2230a_100015185124_100011217306 [0,1,0,0,0,0|3,0,0]=4 2773 B10R0.91 CCCOC(C)CNCCF 34a_100015185124_100011217306 [0,1,0,0,0,0|3,0,0]=4 2774 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [0,1,0,0,0,0|2,0,0]=3 2775 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [0,1,0,0,0,0|2,0,0]=3 2776 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,1,0,0,0,0|2,0,1]=4 2777 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,1,0,0,0,0|2,0,1]=4 2778 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,1,0,0,0,0|2,0,1]=4 2779 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,1,0,0,0,0|2,0,1]=4 2780 B10R0.91 CCCOC[C@@H](C)OCOC 34a_100016172286_100000210303 [0,1,0,0,0,0|3,0,0]=4 2781 B10R0.91 CCCOC[C@@H](C)OCOC 7a_100016172286_100000210303 [0,1,0,0,0,0|3,0,0]=4 2782 B10R0.91 CCCSCC(C)NCCO 270004a_100000210304_100011343953 [0,1,0,0,0,0|2,1,0]=4 2783 B10R0.91 CN(CCCO)CCCCO 2230a_100000213112_100000210776 [0,1,0,0,0,0|3,0,0]=4 2784 B10R0.91 CN(CCCO)CCCCO 2230a_100000717598_100000230001 [0,1,0,0,0,0|3,0,0]=4 2785 B10R0.91 CN(CCCO)CCCCO 269982a_100000213112_100000210776 [0,1,0,0,0,0|3,0,0]=4 2786 B10R0.91 CN(CCCO)CCCCO 269982a_100000717598_100011215043 [0,1,0,0,0,0|3,0,0]=4 2787 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [0,1,0,0,0,0|3,0,0]=4 2788 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [0,1,0,0,0,0|3,0,0]=4 2789 B10R0.91 COCO[C@H](C)COCCF 34a_100016172286_100011217306 [0,1,0,0,0,0|3,0,0]=4 2790 B10R0.91 COCO[C@H](C)COCCF 7a_100016172286_100011217306 [0,1,0,0,0,0|3,0,0]=4 2791 B10R0.91 COCO[C@H](C)COCCO 34a_100016172286_100000211926 [0,1,0,0,0,0|2,0,0]=3 2792 B10R0.91 COCO[C@H](C)COCCO 7a_100016172286_100000211926 [0,1,0,0,0,0|2,0,0]=3 2793 B10R0.91 CSCC[C@H](N)COCCO 34a_100011827619_100000211926 [0,1,0,0,0,0|3,0,0]=4 2794 B10R0.91 C[C@H](CCCO)CNCCF 2230a_100160569302_100011217306 [0,1,0,0,0,0|3,0,0]=4 2795 B10R0.91 C[C@H](CCCO)CNCCF 34a_100160569302_100011217306 [0,1,0,0,0,0|3,0,0]=4 2796 B10R0.91 C[C@H](CCCO)CNCCO 2230a_100160569302_100000211926 [0,1,0,0,0,0|2,0,0]=3 2797 B10R0.91 C[C@H](CCCO)CNCCO 34a_100160569302_100000211926 [0,1,0,0,0,0|2,0,0]=3 2798 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,1,0,0,0,0|2,0,1]=4 2799 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,1,0,0,0,0|2,0,1]=4 2800 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,1,0,0,0,0|1,0,1]=3 2801 B10R0.91 O=C(COCCO)NCCF 1626a_100000724931_100000708028 [0,1,0,0,0,0|2,0,1]=4 2802 B10R0.91 O=C(COCCO)NCCF 240690a_100000724931_100000708028 [0,1,0,0,0,0|2,0,1]=4 2803 B10R0.91 O=C(COCCO)NCCO 240690a_100000210304_100000708028 [0,1,0,0,0,0|1,0,1]=3 2804 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [0,0,0,1,0,0|3,0,0]=4 2805 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [0,0,0,1,0,0|3,0,0]=4 2806 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [0,0,0,1,0,0|3,0,0]=4 2807 B10R1.4 CCCN1CCOC[C@@H]1C 2230a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 2808 B10R1.4 CCCN1CCOC[C@@H]1C 269982a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 2809 B10R1.4 CCCN1CCOC[C@@H]1C 34a_100009815349_100000210303 [0,0,0,1,0,0|3,0,0]=4 2810 B10R1.4 CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210202 [0,0,0,1,0,0|3,0,0]=4 2811 B10R1.4 C[C@H]1COCCN1CCF 2230a_100009815349_100011217306 [0,0,0,1,0,0|3,0,0]=4 2812 B10R1.4 C[C@H]1COCCN1CCF 269982a_100009815349_100011217306 [0,0,0,1,0,0|3,0,0]=4 2813 B10R1.4 C[C@H]1COCCN1CCF 34a_100009815349_100011217306 [0,0,0,1,0,0|3,0,0]=4 2814 B10R1.4 C[C@H]1COCCN1CCO 2230a_100009815349_100000211926 [0,0,0,1,0,0|2,0,0]=3 2815 B10R1.4 C[C@H]1COCCN1CCO 269982a_100009815349_100000211926 [0,0,0,1,0,0|2,0,0]=3 2816 B10R1.4 C[C@H]1COCCN1CCO 34a_100009815349_100000211926 [0,0,0,1,0,0|2,0,0]=3 2817 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [0,0,0,1,0,0|3,0,0]=4 2818 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [0,0,0,1,0,0|3,0,0]=4 2819 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [0,0,0,1,0,0|3,0,0]=4 2820 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [0,0,0,1,0,0|3,0,0]=4 2821 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [0,0,0,1,0,0|3,0,0]=4 2822 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [0,0,0,1,0,0|3,0,0]=4 2823 B10R1.5 OCCN1CCC[C@@H]1CO 2230a_100000745186_100000211926 [0,0,0,1,0,0|2,0,0]=3 2824 B10R1.5 OCCN1CCC[C@@H]1CO 269982a_100000745186_100000211926 [0,0,0,1,0,0|2,0,0]=3 2825 B10R1.5 OCCN1CCC[C@@H]1CO 34a_100000745186_100000211926 [0,0,0,1,0,0|2,0,0]=3 2826 B10R1.5 OC[C@H]1CCCN1CCF 2230a_100000745186_100011217306 [0,0,0,1,0,0|3,0,0]=4 2827 B10R1.5 OC[C@H]1CCCN1CCF 269982a_100000745186_100011217306 [0,0,0,1,0,0|3,0,0]=4 2828 B10R1.5 OC[C@H]1CCCN1CCF 34a_100000745186_100011217306 [0,0,0,1,0,0|3,0,0]=4 2829 B10R1.17 BrCCOC1CCCCC1 34a_100000211926_100000210327 [0,0,0,1,0,0|3,0,0]=4 2830 B10R1.17 BrCCOC1CCCOC1 34a_100000211926_100000693364 [0,0,0,1,0,0|2,0,0]=3 2831 B10R1.17 C#CCOC1CCCCO1 34a_100000033831_100000184674 [0,0,0,1,0,0|2,0,1]=4 2832 B10R1.17 C#CCOC1CCCOC1 34a_100000210247_100000693364 [0,0,0,1,0,0|2,0,1]=4 2833 B10R1.17 C#CCOC1CCCOC1 34a_100000754041_100000184674 [0,0,0,1,0,0|2,0,1]=4 2834 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [0,0,0,1,0,0|2,0,1]=4 2835 B10R1.17 C=CCOC1CCCOC1 34a_100000754041_100015514636 [0,0,0,1,0,0|2,0,1]=4 2836 B10R1.17 C=CCOC1CCCOC1 34a_200000210373_100000693364 [0,0,0,1,0,0|2,0,1]=4 2837 B10R1.17 CCCNC1CCCOC1 2230a_100000719290_100000210303 [0,0,0,1,0,0|3,0,0]=4 2838 B10R1.17 CCCNC1CCCOC1 270004a_100020643023_100000753404 [0,0,0,1,0,0|3,0,0]=4 2839 B10R1.17 CCCNC1CCCOC1 34a_100000719290_100000210303 [0,0,0,1,0,0|3,0,0]=4 2840 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [0,0,0,1,0,0|3,0,0]=4 2841 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [0,0,0,1,0,0|3,0,0]=4 2842 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [0,0,0,1,0,0|3,0,0]=4 2843 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [0,0,0,1,0,0|2,0,0]=3 2844 B10R1.17 CCCOC1CCCOC1 34a_100000210258_100000693364 [0,0,0,1,0,0|2,0,0]=3 2845 B10R1.17 CCCOC1CCCOC1 34a_100000754041_100000210303 [0,0,0,1,0,0|2,0,0]=3 2846 B10R1.17 CCCOC1CCCSC1 7a_100015962668_100000210303 [0,0,0,1,0,0|2,1,0]=4 2847 B10R1.17 CCCSC1CCCOC1 62a_100000210303_100000693364 [0,0,0,1,0,0|2,1,0]=4 2848 B10R1.17 CCNC[C@H]1COCCO1 2230a_100010981119_100000210202 [0,0,0,1,0,0|3,0,0]=4 2849 B10R1.17 CCNC[C@H]1COCCO1 34a_100010981119_100000210202 [0,0,0,1,0,0|3,0,0]=4 2850 B10R1.17 CCOC[C@H]1COCCO1 34a_100009875890_100000210202 [0,0,0,1,0,0|3,0,0]=4 2851 B10R1.17 CSCOC1CCCCO1 34a_100000033831_100011218213 [0,0,0,1,0,0|3,0,0]=4 2852 B10R1.17 CSCOC1CCCOC1 34a_100000754041_100011218213 [0,0,0,1,0,0|3,0,0]=4 2853 B10R1.17 FCCNC1CCCOC1 2230a_100000719290_100011217306 [0,0,0,1,0,0|3,0,0]=4 2854 B10R1.17 FCCNC1CCCOC1 34a_100000719290_100011217306 [0,0,0,1,0,0|3,0,0]=4 2855 B10R1.17 FCCNC1CCCOC1 34a_100000724931_100000693364 [0,0,0,1,0,0|3,0,0]=4 2856 B10R1.17 FCCOC1CCCCC1 34a_100000210231_100011217306 [0,0,0,1,0,0|3,0,0]=4 2857 B10R1.17 FCCOC1CCCCC1 7a_100000210231_100011217306 [0,0,0,1,0,0|3,0,0]=4 2858 B10R1.17 FCCOC1CCCCO1 34a_100000033831_100011217306 [0,0,0,1,0,0|2,0,0]=3 2859 B10R1.17 FCCOC1CCCOC1 34a_100000754041_100011217306 [0,0,0,1,0,0|2,0,0]=3 2860 B10R1.17 FCCOC1CCCSC1 7a_100015962668_100011217306 [0,0,0,1,0,0|2,1,0]=4 2861 B10R1.17 FCCSC1CCCOC1 62a_100011217306_100000693364 [0,0,0,1,0,0|2,1,0]=4 2862 B10R1.17 FCNC[C@H]1COCCO1 34a_100010981119_100015361967 [0,0,0,1,0,0|3,0,0]=4 2863 B10R1.17 FCOC[C@H]1COCCO1 34a_100009875890_100015361967 [0,0,0,1,0,0|3,0,0]=4 2864 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [0,0,0,1,0,0|3,0,0]=4 2865 B10R1.17 NCCOC1CCCOC1 34a_100000210304_100000693364 [0,0,0,1,0,0|2,0,0]=3 2866 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [0,0,0,1,0,0|1,0,2]=4 2867 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [0,0,0,1,0,0|1,0,2]=4 2868 B10R1.17 OCCCN1CCCOC1 2230a_100000131196_100000230001 [0,0,0,1,0,0|3,0,0]=4 2869 B10R1.17 OCCCN1CCCOC1 269982a_100000131196_100011215043 [0,0,0,1,0,0|3,0,0]=4 2870 B10R1.17 OCCCN1CCCOC1 34a_100000131196_100000230001 [0,0,0,1,0,0|3,0,0]=4 2871 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [0,0,0,1,0,0|3,0,0]=4 2872 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [0,0,0,1,0,0|3,0,0]=4 2873 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [0,0,0,1,0,0|3,0,0]=4 2874 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [0,0,0,1,0,0|3,0,0]=4 2875 B10R1.17 OCCNC1CCCOC1 2230a_100000719290_100000211926 [0,0,0,1,0,0|2,0,0]=3 2876 B10R1.17 OCCNC1CCCOC1 270004a_100000210304_100000753404 [0,0,0,1,0,0|2,0,0]=3 2877 B10R1.17 OCCNC1CCCOC1 34a_100000719290_100000211926 [0,0,0,1,0,0|2,0,0]=3 2878 B10R1.17 OCCNC1CCCOC1 34a_100016990907_100000693364 [0,0,0,1,0,0|2,0,0]=3 2879 B10R1.17 OCCNC1CCCSC1 270004a_100000210304_100000057913 [0,0,0,1,0,0|2,1,0]=4 2880 B10R1.17 OCCOC1C=CCCC1 34a_100011215024_100000211926 [0,0,0,1,0,0|2,0,1]=4 2881 B10R1.17 OCCOC1CC=CCC1 34a_100000073881_100000211926 [0,0,0,1,0,0|2,0,1]=4 2882 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [0,0,0,1,0,0|2,0,0]=3 2883 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [0,0,0,1,0,0|2,0,0]=3 2884 B10R1.17 OCCOC1CCCCO1 34a_100000033831_100000211926 [0,0,0,1,0,0|1,0,0]=2 2885 B10R1.17 OCCOC1CCCOC1 34a_100000754041_100000211926 [0,0,0,1,0,0|1,0,0]=2 2886 B10R1.17 OCCOC1CCCSC1 7a_100015962668_100000211926 [0,0,0,1,0,0|1,1,0]=3 2887 B10R1.17 OCCOC1CCOCC1 34a_100000744328_100000211926 [0,0,0,1,0,0|3,0,0]=4 2888 B10R1.17 OCCOC1CCSCC1 34a_100000731022_100000211926 [0,0,0,1,0,0|3,0,0]=4 2889 B10R1.17 OCCOC1CCSCC1 7a_100000731022_100000211926 [0,0,0,1,0,0|3,0,0]=4 2890 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [0,0,0,1,0,0|2,1,0]=4 2891 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [0,0,0,1,0,0|2,1,0]=4 2892 B10R1.17 OCCSC1CCCOC1 62a_100000211926_100000693364 [0,0,0,1,0,0|1,1,0]=3 2893 B10R1.21 BrCCOCC1CCCC1 34a_100000211926_100000740388 [0,0,0,1,0,0|3,0,0]=4 2894 B10R1.21 BrCCOCC1OCCO1 34a_100000211926_100000755774 [0,0,0,1,0,0|1,0,0]=2 2895 B10R1.21 C#CCNCC1OCCO1 2230a_100000036311_100000038162 [0,0,0,1,0,0|2,0,1]=4 2896 B10R1.21 C#CCNCC1OCCO1 34a_100000036311_100000184674 [0,0,0,1,0,0|2,0,1]=4 2897 B10R1.21 C#CCNCC1OCCO1 34a_100000212058_100000755774 [0,0,0,1,0,0|2,0,1]=4 2898 B10R1.21 C#CCOCC1CCCO1 34a_100000210270_100000184674 [0,0,0,1,0,0|2,0,1]=4 2899 B10R1.21 C#CCOCC1CCCO1 7a_100000210270_100000038162 [0,0,0,1,0,0|2,0,1]=4 2900 B10R1.21 C#CCOCC1OCCO1 34a_100000087154_100000184674 [0,0,0,1,0,0|1,0,1]=3 2901 B10R1.21 C#CCOCC1OCCO1 34a_100000210247_100000755774 [0,0,0,1,0,0|1,0,1]=3 2902 B10R1.21 C#CCSCC1OCCO1 62a_100000038162_100000755774 [0,0,0,1,0,0|1,1,1]=4 2903 B10R1.21 C=CCNCC1OCCO1 2230a_100000036311_100000210623 [0,0,0,1,0,0|2,0,1]=4 2904 B10R1.21 C=CCNCC1OCCO1 2230a_100020586998_100000755774 [0,0,0,1,0,0|2,0,1]=4 2905 B10R1.21 C=CCNCC1OCCO1 34a_100000036311_100015514636 [0,0,0,1,0,0|2,0,1]=4 2906 B10R1.21 C=CCOCC1CCCO1 34a_100000210270_100015514636 [0,0,0,1,0,0|2,0,1]=4 2907 B10R1.21 C=CCOCC1CCCO1 7a_100000210270_100015514636 [0,0,0,1,0,0|2,0,1]=4 2908 B10R1.21 C=CCOCC1OCCO1 34a_100000087154_100015514636 [0,0,0,1,0,0|1,0,1]=3 2909 B10R1.21 C=CCOCC1OCCO1 34a_200000210373_100000755774 [0,0,0,1,0,0|1,0,1]=3 2910 B10R1.21 C=CCSCC1OCCO1 62a_100000210623_100000755774 [0,0,0,1,0,0|1,1,1]=4 2911 B10R1.21 C=CCSCC1OCCO1 62a_100000755774_100000210623 [0,0,0,1,0,0|1,1,1]=4 2912 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [0,0,0,1,0,0|2,0,0]=3 2913 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [0,0,0,1,0,0|2,0,0]=3 2914 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,0,0,1,0,0|3,0,0]=4 2915 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,0,0,1,0,0|3,0,0]=4 2916 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [0,0,0,1,0,0|3,0,0]=4 2917 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [0,0,0,1,0,0|3,0,0]=4 2918 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [0,0,0,1,0,0|3,0,0]=4 2919 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,0,0,1,0,0|2,0,0]=3 2920 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,0,0,1,0,0|2,0,0]=3 2921 B10R1.21 CCCOCC1COCO1 34a_100011216627_100000210303 [0,0,0,1,0,0|3,0,0]=4 2922 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [0,0,0,1,0,0|1,0,0]=2 2923 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [0,0,0,1,0,0|1,0,0]=2 2924 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [0,0,0,1,0,0|3,0,0]=4 2925 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,0,0,1,0,0|2,1,0]=4 2926 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,0,0,1,0,0|2,1,0]=4 2927 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [0,0,0,1,0,0|1,1,0]=3 2928 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [0,0,0,1,0,0|1,1,0]=3 2929 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [0,0,0,1,0,0|3,0,0]=4 2930 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [0,0,0,1,0,0|3,0,0]=4 2931 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [0,0,0,1,0,0|3,0,0]=4 2932 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [0,0,0,1,0,0|3,0,0]=4 2933 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,0,0,1,0,0|3,0,0]=4 2934 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [0,0,0,1,0,0|3,0,0]=4 2935 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [0,0,0,1,0,0|3,0,0]=4 2936 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [0,0,0,1,0,0|3,0,0]=4 2937 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [0,0,0,1,0,0|3,0,0]=4 2938 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [0,0,0,1,0,0|3,0,0]=4 2939 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [0,0,0,1,0,0|3,0,0]=4 2940 B10R1.21 COCNCC1OCCO1 2230a_100000036311_100000766300 [0,0,0,1,0,0|3,0,0]=4 2941 B10R1.21 COCSCC1OCCO1 62a_100000755774_100000766300 [0,0,0,1,0,0|2,1,0]=4 2942 B10R1.21 COCSCC1OCCO1 62a_100000766300_100000755774 [0,0,0,1,0,0|2,1,0]=4 2943 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,0,0,1,0,0|3,0,0]=4 2944 B10R1.21 CSCNCC1OCCO1 2230a_100000036311_100011218213 [0,0,0,1,0,0|3,0,0]=4 2945 B10R1.21 CSCNCC1OCCO1 34a_100000036311_100011218213 [0,0,0,1,0,0|3,0,0]=4 2946 B10R1.21 CSCOCC1CCCO1 34a_100000210270_100011218213 [0,0,0,1,0,0|3,0,0]=4 2947 B10R1.21 CSCOCC1OCCO1 34a_100000087154_100011218213 [0,0,0,1,0,0|2,0,0]=3 2948 B10R1.21 CSCSCC1OCCO1 62a_100000755774_100011218213 [0,0,0,1,0,0|2,1,0]=4 2949 B10R1.21 CSCSCC1OCCO1 62a_100011218213_100000755774 [0,0,0,1,0,0|2,1,0]=4 2950 B10R1.21 FCCNCC1OCCO1 2230a_100000036311_100011217306 [0,0,0,1,0,0|2,0,0]=3 2951 B10R1.21 FCCNCC1OCCO1 34a_100000036311_100011217306 [0,0,0,1,0,0|2,0,0]=3 2952 B10R1.21 FCCNCC1OCCO1 34a_100000724931_100000755774 [0,0,0,1,0,0|2,0,0]=3 2953 B10R1.21 FCCNC[C@@H]1CCCO1 2230a_100020590478_100011217306 [0,0,0,1,0,0|3,0,0]=4 2954 B10R1.21 FCCNC[C@@H]1CCCO1 34a_100020590478_100011217306 [0,0,0,1,0,0|3,0,0]=4 2955 B10R1.21 FCCOCC1CCCC1 34a_100000742336_100011217306 [0,0,0,1,0,0|3,0,0]=4 2956 B10R1.21 FCCOCC1CCCC1 7a_100000742336_100011217306 [0,0,0,1,0,0|3,0,0]=4 2957 B10R1.21 FCCOCC1CCCO1 34a_100000210270_100011217306 [0,0,0,1,0,0|2,0,0]=3 2958 B10R1.21 FCCOCC1CCCO1 7a_100000210270_100011217306 [0,0,0,1,0,0|2,0,0]=3 2959 B10R1.21 FCCOCC1COCO1 34a_100011216627_100011217306 [0,0,0,1,0,0|3,0,0]=4 2960 B10R1.21 FCCOCC1OCCO1 34a_100000087154_100011217306 [0,0,0,1,0,0|1,0,0]=2 2961 B10R1.21 FCCOC[C@H]1CCCN1 34a_100000745186_100011217306 [0,0,0,1,0,0|3,0,0]=4 2962 B10R1.21 FCCSCC1CCCO1 62a_100000203698_100011217306 [0,0,0,1,0,0|2,1,0]=4 2963 B10R1.21 FCCSCC1CCCO1 62a_100011217306_100000203698 [0,0,0,1,0,0|2,1,0]=4 2964 B10R1.21 FCCSCC1OCCO1 62a_100000755774_100011217306 [0,0,0,1,0,0|1,1,0]=3 2965 B10R1.21 FCCSCC1OCCO1 62a_100011217306_100000755774 [0,0,0,1,0,0|1,1,0]=3 2966 B10R1.21 FCNCCC1OCCO1 34a_100000034215_100015361967 [0,0,0,1,0,0|3,0,0]=4 2967 B10R1.21 FCSCCC1OCCO1 62a_100015361967_100000740749 [0,0,0,1,0,0|3,0,0]=4 2968 B10R1.21 N#CCNCC1OCCO1 2230a_100000036311_100011215382 [0,0,0,1,0,0|2,0,1]=4 2969 B10R1.21 N#CCOCC1CCCO1 7a_100000210270_100011215382 [0,0,0,1,0,0|2,0,1]=4 2970 B10R1.21 N#CCSCC1OCCO1 62a_100000755774_100011215382 [0,0,0,1,0,0|1,1,1]=4 2971 B10R1.21 N#CCSCC1OCCO1 62a_100011215382_100000755774 [0,0,0,1,0,0|1,1,1]=4 2972 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [0,0,0,1,0,0|3,0,0]=4 2973 B10R1.21 NCCOCC1OCCO1 34a_100000210304_100000755774 [0,0,0,1,0,0|1,0,0]=2 2974 B10R1.21 O=CCNCC1OCCO1 2230a_100000036311_200015260668 [0,0,0,1,0,0|1,0,2]=4 2975 B10R1.21 O=CCNCC1OCCO1 34a_100000036311_200009817547 [0,0,0,1,0,0|1,0,2]=4 2976 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [0,0,0,1,0,0|1,0,2]=4 2977 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [0,0,0,1,0,0|1,0,2]=4 2978 B10R1.21 O=CCOCC1OCCO1 34a_100000087154_200009817547 [0,0,0,1,0,0|0,0,2]=3 2979 B10R1.21 O=CCSCC1OCCO1 62a_100000755774_200015260668 [0,0,0,1,0,0|0,1,2]=4 2980 B10R1.21 O=CCSCC1OCCO1 62a_200015260668_100000755774 [0,0,0,1,0,0|0,1,2]=4 2981 B10R1.21 OCCCOC1CCCO1 34a_100000085407_100000230001 [0,0,0,1,0,0|3,0,0]=4 2982 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,0,0,1,0,0|3,0,0]=4 2983 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,0,0,1,0,0|3,0,0]=4 2984 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,0,0,1,0,0|3,0,0]=4 2985 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,0,0,1,0,0|3,0,0]=4 2986 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,0,0,1,0,0|3,0,0]=4 2987 B10R1.21 OCCNCC1CCCO1 2230a_100016997473_100000203698 [0,0,0,1,0,0|2,0,0]=3 2988 B10R1.21 OCCNCC1OCCO1 2230a_100000036311_100000211926 [0,0,0,1,0,0|1,0,0]=2 2989 B10R1.21 OCCNCC1OCCO1 2230a_100016997473_100000755774 [0,0,0,1,0,0|1,0,0]=2 2990 B10R1.21 OCCNCC1OCCO1 34a_100000036311_100000211926 [0,0,0,1,0,0|1,0,0]=2 2991 B10R1.21 OCCNCC1OCCO1 34a_100016990907_100000755774 [0,0,0,1,0,0|1,0,0]=2 2992 B10R1.21 OCCNC[C@@H]1CCCO1 2230a_100020590478_100000211926 [0,0,0,1,0,0|2,0,0]=3 2993 B10R1.21 OCCNC[C@@H]1CCCO1 34a_100020590478_100000211926 [0,0,0,1,0,0|2,0,0]=3 2994 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [0,0,0,1,0,0|2,0,0]=3 2995 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [0,0,0,1,0,0|2,0,0]=3 2996 B10R1.21 OCCOCC1CCCO1 34a_100000210270_100000211926 [0,0,0,1,0,0|1,0,0]=2 2997 B10R1.21 OCCOCC1CCCO1 7a_100000210270_100000211926 [0,0,0,1,0,0|1,0,0]=2 2998 B10R1.21 OCCOCC1CCNC1 34a_100000748654_100000211926 [0,0,0,1,0,0|3,0,0]=4 2999 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [0,0,0,1,0,0|3,0,0]=4 3000 B10R1.21 OCCOCC1COCO1 34a_100011216627_100000211926 [0,0,0,1,0,0|2,0,0]=3 3001 B10R1.21 OCCOCC1OCCO1 34a_100000087154_100000211926 [0,0,0,1,0,0|0,0,0]=1 3002 B10R1.21 OCCOC[C@H]1CCCN1 34a_100000745186_100000211926 [0,0,0,1,0,0|2,0,0]=3 3003 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [0,0,0,1,0,0|2,1,0]=4 3004 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [0,0,0,1,0,0|2,1,0]=4 3005 B10R1.21 OCCSCC1CCCO1 62a_100000203698_100000211926 [0,0,0,1,0,0|1,1,0]=3 3006 B10R1.21 OCCSCC1CCCO1 62a_100000211926_100000203698 [0,0,0,1,0,0|1,1,0]=3 3007 B10R1.21 OCCSCC1OCCO1 62a_100000211926_100000755774 [0,0,0,1,0,0|0,1,0]=2 3008 B10R1.21 OCCSCC1OCCO1 62a_100000755774_100000211926 [0,0,0,1,0,0|0,1,0]=2 3009 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [0,0,0,1,0,0|3,0,0]=4 3010 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [0,0,0,1,0,0|3,0,0]=4 3011 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,0,0,1,0,0|3,0,0]=4 3012 B10R1.29 C#CCNC1COCC1O 34a_100000212058_200000725654 [0,0,0,1,0,0|2,0,1]=4 3013 B10R1.29 C#CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000038162 [0,0,0,1,0,0|2,0,1]=4 3014 B10R1.29 C#CCOC1COCC1O 34a_100000210247_200000725654 [0,0,0,1,0,0|1,0,1]=3 3015 B10R1.29 C#CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000184674 [0,0,0,1,0,0|2,0,1]=4 3016 B10R1.29 C#CCSC1COCC1O 62a_100000038162_200000725654 [0,0,0,1,0,0|1,1,1]=4 3017 B10R1.29 C=CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210623 [0,0,0,1,0,0|2,0,1]=4 3018 B10R1.29 C=CCOC1COCC1O 34a_200000210373_200000725654 [0,0,0,1,0,0|1,0,1]=3 3019 B10R1.29 C=CCO[C@H]1COC[C@@H]1N 34a_100015191717_100015514636 [0,0,0,1,0,0|2,0,1]=4 3020 B10R1.29 C=CCSC1COCC1O 62a_100000210623_200000725654 [0,0,0,1,0,0|1,1,1]=4 3021 B10R1.29 C=CCSC1COCC1O 62a_200000725654_100000210623 [0,0,0,1,0,0|1,1,1]=4 3022 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [0,0,0,1,0,0|3,0,0]=4 3023 B10R1.29 CC1CCCC1OCCF 34a_100011216460_100011217306 [0,0,0,1,0,0|3,0,0]=4 3024 B10R1.29 CC1CCCC1OCCF 7a_100011216460_100011217306 [0,0,0,1,0,0|3,0,0]=4 3025 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [0,0,0,1,0,0|2,0,0]=3 3026 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [0,0,0,1,0,0|2,0,0]=3 3027 B10R1.29 CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210303 [0,0,0,1,0,0|2,0,0]=3 3028 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [0,0,0,1,0,0|3,0,0]=4 3029 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [0,0,0,1,0,0|3,0,0]=4 3030 B10R1.29 CCCOC1COCC1O 34a_100000210258_200000725654 [0,0,0,1,0,0|1,0,0]=2 3031 B10R1.29 CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210303 [0,0,0,1,0,0|3,0,0]=4 3032 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [0,0,0,1,0,0|3,0,0]=4 3033 B10R1.29 CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210303 [0,0,0,1,0,0|3,0,0]=4 3034 B10R1.29 CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210303 [0,0,0,1,0,0|2,0,0]=3 3035 B10R1.29 CCCSC1COCC1O 62a_100000210303_200000725654 [0,0,0,1,0,0|1,1,0]=3 3036 B10R1.29 CCCSC1COCC1O 62a_200000725654_100000210303 [0,0,0,1,0,0|1,1,0]=3 3037 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [0,0,0,1,0,0|2,1,0]=4 3038 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [0,0,0,1,0,0|2,1,0]=4 3039 B10R1.29 COCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000766300 [0,0,0,1,0,0|3,0,0]=4 3040 B10R1.29 COCSC1COCC1O 62a_100000766300_200000725654 [0,0,0,1,0,0|2,1,0]=4 3041 B10R1.29 COCSC1COCC1O 62a_200000725654_100000766300 [0,0,0,1,0,0|2,1,0]=4 3042 B10R1.29 CSCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218213 [0,0,0,1,0,0|3,0,0]=4 3043 B10R1.29 CSCO[C@H]1COC[C@@H]1N 34a_100015191717_100011218213 [0,0,0,1,0,0|3,0,0]=4 3044 B10R1.29 CSCSC1COCC1O 62a_100011218213_200000725654 [0,0,0,1,0,0|2,1,0]=4 3045 B10R1.29 CSCSC1COCC1O 62a_200000725654_100011218213 [0,0,0,1,0,0|2,1,0]=4 3046 B10R1.29 C[C@@H]1CNC[C@@H]1OCCF 34a_200015306588_100011217306 [0,0,0,1,0,0|3,0,0]=4 3047 B10R1.29 C[C@@H]1CNC[C@@H]1OCCO 34a_200015306588_100000211926 [0,0,0,1,0,0|2,0,0]=3 3048 B10R1.29 FCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011217306 [0,0,0,1,0,0|3,0,0]=4 3049 B10R1.29 N#CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011215382 [0,0,0,1,0,0|2,0,1]=4 3050 B10R1.29 N#CCSC1COCC1O 62a_100011215382_200000725654 [0,0,0,1,0,0|1,1,1]=4 3051 B10R1.29 N#CCSC1COCC1O 62a_200000725654_100011215382 [0,0,0,1,0,0|1,1,1]=4 3052 B10R1.29 NCCOC1COCC1O 34a_100000210304_200000725654 [0,0,0,1,0,0|1,0,0]=2 3053 B10R1.29 N[C@H]1CCC[C@@H]1OCCF 34a_100000748460_100011217306 [0,0,0,1,0,0|3,0,0]=4 3054 B10R1.29 N[C@H]1CCC[C@@H]1OCCO 34a_100000748460_100000211926 [0,0,0,1,0,0|2,0,0]=3 3055 B10R1.29 N[C@H]1COC[C@@H]1OCC=O 34a_100015191717_200009817547 [0,0,0,1,0,0|1,0,2]=4 3056 B10R1.29 N[C@H]1COC[C@@H]1OCCF 34a_100015191717_100011217306 [0,0,0,1,0,0|2,0,0]=3 3057 B10R1.29 N[C@H]1COC[C@@H]1OCCO 34a_100015191717_100000211926 [0,0,0,1,0,0|1,0,0]=2 3058 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,0,0,1,0,0|1,0,2]=4 3059 B10R1.29 O=CCN[C@H]1COC[C@@H]1O 2230a_100015191717_200015260668 [0,0,0,1,0,0|1,0,2]=4 3060 B10R1.29 O=CCSC1COCC1O 62a_200000725654_200015260668 [0,0,0,1,0,0|0,1,2]=4 3061 B10R1.29 O=CCSC1COCC1O 62a_200015260668_200000725654 [0,0,0,1,0,0|0,1,2]=4 3062 B10R1.29 OC1COCC1NCCF 34a_100000724931_200000725654 [0,0,0,1,0,0|2,0,0]=3 3063 B10R1.29 OC1COCC1OCCBr 34a_100000211926_200000725654 [0,0,0,1,0,0|1,0,0]=2 3064 B10R1.29 OC1COCC1SCCF 62a_100011217306_200000725654 [0,0,0,1,0,0|1,1,0]=3 3065 B10R1.29 OC1COCC1SCCF 62a_200000725654_100011217306 [0,0,0,1,0,0|1,1,0]=3 3066 B10R1.29 OCCNC1COCC1O 34a_100016990907_200000725654 [0,0,0,1,0,0|1,0,0]=2 3067 B10R1.29 OCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000211926 [0,0,0,1,0,0|1,0,0]=2 3068 B10R1.29 OCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000211926 [0,0,0,1,0,0|2,0,0]=3 3069 B10R1.29 OCCSC1COCC1O 62a_100000211926_200000725654 [0,0,0,1,0,0|0,1,0]=2 3070 B10R1.29 OCCSC1COCC1O 62a_200000725654_100000211926 [0,0,0,1,0,0|0,1,0]=2 3071 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_100000211926_200016002552 [0,0,0,1,0,0|1,1,0]=3 3072 B10R1.29 OCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000211926 [0,0,0,1,0,0|1,1,0]=3 3073 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_100011217306_200016002552 [0,0,0,1,0,0|2,1,0]=4 3074 B10R1.29 O[C@@H]1CCC[C@H]1SCCF 62a_200016002552_100011217306 [0,0,0,1,0,0|2,1,0]=4 3075 B10R1.29 O[C@H]1COC[C@@H]1NCCF 2230a_100015191717_100011217306 [0,0,0,1,0,0|2,0,0]=3 3076 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [0,0,0,1,0,0|3,0,0]=4 3077 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [0,0,0,1,0,0|3,0,0]=4 3078 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,0,0,1,0,0|3,0,0]=4 3079 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,0,0,1,0,0|3,0,0]=4 3080 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,0,0,1,0,0|3,0,0]=4 3081 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,0,0,1,0,0|3,0,0]=4 3082 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,0,0,1,0,0|3,0,0]=4 3083 B10R1.57 OCCOCCC1COC1 34a_100009855314_100000211926 [0,0,0,1,0,0|3,0,0]=4 3084 B10R1.57 OCCOCCN1CCC1 269982a_100000754969_100011215305 [0,0,0,1,0,0|2,0,0]=3 3085 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 3086 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 3087 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [0,0,0,1,0,0|3,0,0]=4 3088 B10R1.85 FCCN1CCCOCC1 2230a_100000685342_100011217306 [0,0,0,1,0,0|3,0,0]=4 3089 B10R1.85 FCCN1CCCOCC1 269982a_100000685342_100011217306 [0,0,0,1,0,0|3,0,0]=4 3090 B10R1.85 FCCN1CCCOCC1 34a_100000685342_100011217306 [0,0,0,1,0,0|3,0,0]=4 3091 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [0,0,0,1,0,0|3,0,0]=4 3092 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [0,0,0,1,0,0|3,0,0]=4 3093 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [0,0,0,1,0,0|3,0,0]=4 3094 B10R1.85 OCCN1CCCOCC1 2230a_100000685342_100000211926 [0,0,0,1,0,0|2,0,0]=3 3095 B10R1.85 OCCN1CCCOCC1 269982a_100000685342_100000211926 [0,0,0,1,0,0|2,0,0]=3 3096 B10R1.85 OCCN1CCCOCC1 34a_100000685342_100000211926 [0,0,0,1,0,0|2,0,0]=3 3097 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [0,0,0,1,0,0|3,0,0]=4 3098 B10R1.177 BrCCOCCCC1CO1 34a_100000211926_100000733510 [0,0,0,1,0,0|2,0,0]=3 3099 B10R1.177 BrCCOCCOC1CC1 34a_100000692535_100000211595 [0,0,0,1,0,0|2,0,0]=3 3100 B10R1.177 C#CCOCCCC1CO1 34a_100000210247_100000733510 [0,0,0,1,0,0|2,0,1]=4 3101 B10R1.177 C#CCOCCOC1CC1 34a_100000054580_100000211595 [0,0,0,1,0,0|2,0,1]=4 3102 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [0,0,0,1,0,0|2,0,1]=4 3103 B10R1.177 C=CCOCCOC1CC1 34a_100000037705_100000211595 [0,0,0,1,0,0|2,0,1]=4 3104 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [0,0,0,1,0,0|3,0,0]=4 3105 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,0,0,1,0,0|2,0,0]=3 3106 B10R1.177 CCCOCCNC1CC1 34a_100000212008_100011215938 [0,0,0,1,0,0|3,0,0]=4 3107 B10R1.177 CCCOCCNC1CC1 34a_100000738766_100000210303 [0,0,0,1,0,0|3,0,0]=4 3108 B10R1.177 CCCOCCNC1CC1 34a_100161115042_100000211595 [0,0,0,1,0,0|3,0,0]=4 3109 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [0,0,0,1,0,0|2,0,0]=3 3110 B10R1.177 CCCOCCSC1CC1 62a_100011215938_100000211595 [0,0,0,1,0,0|2,1,0]=4 3111 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,0,0,1,0,0|2,1,0]=4 3112 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,0,0,1,0,0|2,1,0]=4 3113 B10R1.177 CCCSCCOC1CC1 34a_200000230433_100000211595 [0,0,0,1,0,0|2,1,0]=4 3114 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [0,0,0,1,0,0|3,0,0]=4 3115 B10R1.177 ClCCOCCOC1CC1 34a_100011215305_100000211595 [0,0,0,1,0,0|2,0,0]=3 3116 B10R1.177 FCCNCCCC1CO1 34a_100000724931_100000733510 [0,0,0,1,0,0|3,0,0]=4 3117 B10R1.177 FCCOCCNC1CC1 34a_100000738766_100011217306 [0,0,0,1,0,0|3,0,0]=4 3118 B10R1.177 FCCOCCOC1CC1 34a_200015357709_100000211595 [0,0,0,1,0,0|2,0,0]=3 3119 B10R1.177 FCCSCCCC1CO1 62a_100000733510_100011217306 [0,0,0,1,0,0|2,1,0]=4 3120 B10R1.177 FCCSCCCC1CO1 62a_100011217306_100000733510 [0,0,0,1,0,0|2,1,0]=4 3121 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [0,0,0,1,0,0|3,0,0]=4 3122 B10R1.177 ICCOCCOC1CC1 34a_100012149058_100000211595 [0,0,0,1,0,0|2,0,0]=3 3123 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|3,0,0]=4 3124 B10R1.177 NCCOCCCC1CO1 34a_100000210304_100000733510 [0,0,0,1,0,0|2,0,0]=3 3125 B10R1.177 NCCOCCOC1CC1 34a_100000211614_100000211595 [0,0,0,1,0,0|2,0,0]=3 3126 B10R1.177 OCCCCCNC1CC1 34a_100000212008_100000746330 [0,0,0,1,0,0|3,0,0]=4 3127 B10R1.177 OCCCCCNC1CC1 34a_100000762737_100000211595 [0,0,0,1,0,0|3,0,0]=4 3128 B10R1.177 OCCCCCSC1CC1 62a_100000746330_100000211595 [0,0,0,1,0,0|2,1,0]=4 3129 B10R1.177 OCCCCNCC1CO1 2230a_100000750430_100011216344 [0,0,0,1,0,0|3,0,0]=4 3130 B10R1.177 OCCCCNCC1CO1 34a_100000750430_102125554688 [0,0,0,1,0,0|3,0,0]=4 3131 B10R1.177 OCCCCOC[C@@H]1CO1 34a_100000757423_100011216708 [0,0,0,1,0,0|3,0,0]=4 3132 B10R1.177 OCCCCSCC1CO1 62a_100000210776_102125554688 [0,0,0,1,0,0|3,0,0]=4 3133 B10R1.177 OCCCCSCC1CO1 62a_102125554688_100000210776 [0,0,0,1,0,0|3,0,0]=4 3134 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000210776_100000745022 [0,0,0,1,0,0|3,0,0]=4 3135 B10R1.177 OCCCCSC[C@@H]1CO1 62a_100000745022_100000210776 [0,0,0,1,0,0|3,0,0]=4 3136 B10R1.177 OCCCOCC[C@@H]1CO1 34a_100009820653_100000230001 [0,0,0,1,0,0|3,0,0]=4 3137 B10R1.177 OCCCSCCC1CO1 62a_100000732470_100011215043 [0,0,0,1,0,0|3,0,0]=4 3138 B10R1.177 OCCCSCCC1CO1 62a_100011215043_100000732470 [0,0,0,1,0,0|3,0,0]=4 3139 B10R1.177 OCCNCCCC1CO1 2230a_100016997473_100000733510 [0,0,0,1,0,0|2,0,0]=3 3140 B10R1.177 OCCNCCCC1CO1 34a_100016990907_100000733510 [0,0,0,1,0,0|2,0,0]=3 3141 B10R1.177 OCCOCC#CC1CC1 34a_100000083941_100000211926 [0,0,0,1,0,0|2,0,1]=4 3142 B10R1.177 OCCOCC#CC1CC1 7a_100000083941_100000211926 [0,0,0,1,0,0|2,0,1]=4 3143 B10R1.177 OCCOCCNC1CC1 34a_100000211614_100000211595 [0,0,0,1,0,0|2,0,0]=3 3144 B10R1.177 OCCOCCNC1CC1 34a_100000212008_100000692535 [0,0,0,1,0,0|2,0,0]=3 3145 B10R1.177 OCCOCCNC1CC1 34a_100000738766_100000211926 [0,0,0,1,0,0|2,0,0]=3 3146 B10R1.177 OCCOCCSC1CC1 62a_100011215305_100000211595 [0,0,0,1,0,0|1,1,0]=3 3147 B10R1.177 OCCSCCCC1CO1 62a_100000211926_100000733510 [0,0,0,1,0,0|1,1,0]=3 3148 B10R1.177 OCCSCCCC1CO1 62a_100000733510_100000211926 [0,0,0,1,0,0|1,1,0]=3 3149 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [2,0,0,0,0,0|1,0,1]=4 3150 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [2,0,0,0,0,0|1,0,1]=4 3151 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [2,0,0,0,0,0|1,0,1]=4 3152 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [2,0,0,0,0,0|0,0,2]=4 3153 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [2,0,0,0,0,0|1,0,1]=4 3154 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [2,0,0,0,0,0|1,0,1]=4 3155 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [2,0,0,0,0,0|1,0,1]=4 3156 B7R0.1 C#CCOCCCO 34a_100000210247_100000230001 [2,0,0,0,0,0|1,0,1]=4 3157 B7R0.1 C#CCOCCOC 34a_100000054580_200000210301 [2,0,0,0,0,0|1,0,1]=4 3158 B7R0.1 C#CCOCCOC 34a_100000210237_100000184674 [2,0,0,0,0,0|1,0,1]=4 3159 B7R0.1 C#CCOCCOC 34a_100000210247_100011201679 [2,0,0,0,0,0|1,0,1]=4 3160 B7R0.1 C#CCOCCOC 34a_100138415774_100010402529 [2,0,0,0,0,0|1,0,1]=4 3161 B7R0.1 C#CCOCCOC 7a_100000054580_200000210301 [2,0,0,0,0,0|1,0,1]=4 3162 B7R0.1 C#CCOCCO[13CH3] 34a_100000054580_200025704644 [2,0,0,0,0,0|1,0,1]=4 3163 B7R0.1 C#CCOCCO[13CH3] 7a_100000054580_200025704644 [2,0,0,0,0,0|1,0,1]=4 3164 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|1,0,1]=4 3165 B7R0.1 C/C=C/COCCO 34a_100016270725_100000211926 [2,0,0,0,0,0|0,0,2]=4 3166 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 3167 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|1,0,1]=4 3168 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|1,0,1]=4 3169 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [2,0,0,0,0,0|0,0,2]=4 3170 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 3171 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [2,0,0,0,0,0|1,0,1]=4 3172 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [2,0,0,0,0,0|1,0,1]=4 3173 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [2,0,0,0,0,0|1,0,1]=4 3174 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [2,0,0,0,0,0|1,0,1]=4 3175 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [2,0,0,0,0,0|1,0,1]=4 3176 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [2,0,0,0,0,0|1,0,1]=4 3177 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [2,0,0,0,0,0|1,0,1]=4 3178 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [2,0,0,0,0,0|1,0,1]=4 3179 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [2,0,0,0,0,0|1,0,1]=4 3180 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [2,0,0,0,0,0|0,0,2]=4 3181 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [2,0,0,0,0,0|0,0,2]=4 3182 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [2,0,0,0,0,0|1,0,1]=4 3183 B7R0.1 CC#CCOCCO 34a_100000761923_100000211926 [2,0,0,0,0,0|0,0,2]=4 3184 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|1,0,1]=4 3185 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|1,0,1]=4 3186 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [2,0,0,0,0,0|1,0,1]=4 3187 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [2,0,0,0,0,0|1,0,1]=4 3188 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|2,0,0]=4 3189 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|2,0,0]=4 3190 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|2,0,0]=4 3191 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|2,0,0]=4 3192 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|2,0,0]=4 3193 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|2,0,0]=4 3194 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|2,0,0]=4 3195 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 3196 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|1,0,0]=3 3197 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|1,0,0]=3 3198 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 3199 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|2,0,0]=4 3200 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|1,1,0]=4 3201 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|1,1,0]=4 3202 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|2,0,0]=4 3203 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|2,0,0]=4 3204 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [2,0,0,0,0,0|2,0,0]=4 3205 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [2,0,0,0,0,0|2,0,0]=4 3206 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [2,0,0,0,0,0|2,0,0]=4 3207 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [2,0,0,0,0,0|1,0,0]=3 3208 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [2,0,0,0,0,0|1,0,0]=3 3209 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [2,0,0,0,0,0|1,0,0]=3 3210 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [2,0,0,0,0,0|1,0,0]=3 3211 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [2,0,0,0,0,0|1,0,1]=4 3212 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [2,0,0,0,0,0|0,0,2]=4 3213 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [2,0,0,0,0,0|0,0,2]=4 3214 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [2,0,0,0,0,0|1,0,0]=3 3215 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 3216 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,0]=3 3217 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,0]=3 3218 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [2,0,0,0,0,0|1,0,0]=3 3219 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [2,0,0,0,0,0|1,0,0]=3 3220 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [2,0,0,0,0,0|1,0,0]=3 3221 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [2,0,0,0,0,0|0,0,0]=2 3222 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [2,0,0,0,0,0|0,0,0]=2 3223 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [2,0,0,0,0,0|2,0,0]=4 3224 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [2,0,0,0,0,0|2,0,0]=4 3225 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|2,0,0]=4 3226 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [2,0,0,0,0,0|2,0,0]=4 3227 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [2,0,0,0,0,0|2,0,0]=4 3228 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [2,0,0,0,0,0|2,0,0]=4 3229 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [2,0,0,0,0,0|2,0,0]=4 3230 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [2,0,0,0,0,0|2,0,0]=4 3231 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,1,0]=4 3232 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,1,0]=4 3233 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [2,0,0,0,0,0|1,1,0]=4 3234 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [2,0,0,0,0,0|1,1,0]=4 3235 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [2,0,0,0,0,0|0,1,0]=3 3236 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [2,0,0,0,0,0|0,1,0]=3 3237 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|2,0,0]=4 3238 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [2,0,0,0,0,0|2,0,0]=4 3239 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [2,0,0,0,0,0|2,0,0]=4 3240 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [2,0,0,0,0,0|2,0,0]=4 3241 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [2,0,0,0,0,0|2,0,0]=4 3242 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [2,0,0,0,0,0|2,0,0]=4 3243 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [2,0,0,0,0,0|1,0,0]=3 3244 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 3245 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 3246 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [2,0,0,0,0,0|2,0,0]=4 3247 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [2,0,0,0,0,0|2,0,0]=4 3248 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [2,0,0,0,0,0|2,0,0]=4 3249 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 3250 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [2,0,0,0,0,0|2,0,0]=4 3251 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|1,0,0]=3 3252 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|1,0,0]=3 3253 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|1,0,0]=3 3254 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|1,0,0]=3 3255 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|1,0,0]=3 3256 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [2,0,0,0,0,0|2,0,0]=4 3257 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|1,0,0]=3 3258 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|1,0,0]=3 3259 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [2,0,0,0,0,0|1,1,0]=4 3260 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [2,0,0,0,0,0|1,1,0]=4 3261 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [2,0,0,0,0,0|1,1,0]=4 3262 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [2,0,0,0,0,0|1,1,0]=4 3263 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [2,0,0,0,0,0|1,1,0]=4 3264 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [2,0,0,0,0,0|1,1,0]=4 3265 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [2,0,0,0,0,0|1,1,0]=4 3266 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [2,0,0,0,0,0|1,1,0]=4 3267 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [2,0,0,0,0,0|1,1,0]=4 3268 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|1,1,0]=4 3269 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|1,1,0]=4 3270 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|1,1,0]=4 3271 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|1,1,0]=4 3272 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|1,1,0]=4 3273 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|1,1,0]=4 3274 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|1,1,0]=4 3275 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|1,1,0]=4 3276 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 3277 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 3278 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|1,0,0]=3 3279 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 3280 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|1,0,0]=3 3281 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|1,0,0]=3 3282 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|1,0,0]=3 3283 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|1,1,0]=4 3284 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|1,1,0]=4 3285 B7R0.1 CCOCC#CCO 34a_100121572206_200000047223 [2,0,0,0,0,0|0,0,2]=4 3286 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|1,0,0]=3 3287 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 3288 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 3289 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|1,0,0]=3 3290 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|1,0,0]=3 3291 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|1,0,0]=3 3292 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|1,0,0]=3 3293 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 3294 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|0,0,0]=2 3295 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 3296 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 3297 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|2,0,0]=4 3298 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|2,0,0]=4 3299 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|2,0,0]=4 3300 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|2,0,0]=4 3301 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 3302 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|2,0,0]=4 3303 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|2,0,0]=4 3304 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 3305 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|2,0,0]=4 3306 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|2,0,0]=4 3307 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|2,0,0]=4 3308 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 3309 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|2,0,0]=4 3310 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 3311 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|2,0,0]=4 3312 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|2,0,0]=4 3313 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|2,0,0]=4 3314 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|2,0,0]=4 3315 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|2,0,0]=4 3316 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [2,0,0,0,0,0|2,0,0]=4 3317 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|0,0,0]=2 3318 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|0,0,0]=2 3319 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|0,0,0]=2 3320 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [2,0,0,0,0,0|1,0,0]=3 3321 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [2,0,0,0,0,0|1,0,0]=3 3322 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|0,1,0]=3 3323 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|0,1,0]=3 3324 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|0,1,0]=3 3325 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|0,1,0]=3 3326 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|0,1,0]=3 3327 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [2,0,0,0,0,0|1,1,0]=4 3328 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [2,0,0,0,0,0|1,1,0]=4 3329 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [2,0,0,0,0,0|1,1,0]=4 3330 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [2,0,0,0,0,0|1,1,0]=4 3331 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|0,1,0]=3 3332 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|0,1,0]=3 3333 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|1,1,0]=4 3334 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|1,1,0]=4 3335 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|0,1,0]=3 3336 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|0,1,0]=3 3337 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [2,0,0,0,0,0|1,1,0]=4 3338 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [2,0,0,0,0,0|1,1,0]=4 3339 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|0,2,0]=4 3340 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|0,2,0]=4 3341 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 3342 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 3343 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 3344 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [2,0,0,0,0,0|2,0,0]=4 3345 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [2,0,0,0,0,0|2,0,0]=4 3346 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [2,0,0,0,0,0|1,0,0]=3 3347 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [2,0,0,0,0,0|1,0,0]=3 3348 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [2,0,0,0,0,0|1,0,0]=3 3349 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [2,0,0,0,0,0|1,0,0]=3 3350 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [2,0,0,0,0,0|1,0,0]=3 3351 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [2,0,0,0,0,0|1,1,0]=4 3352 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [2,0,0,0,0,0|2,0,0]=4 3353 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 3354 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|2,0,0]=4 3355 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 3356 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|2,0,0]=4 3357 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|2,0,0]=4 3358 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 3359 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|2,0,0]=4 3360 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|2,0,0]=4 3361 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,0]=3 3362 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [2,0,0,0,0,0|2,0,0]=4 3363 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [2,0,0,0,0,0|2,0,0]=4 3364 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [2,0,0,0,0,0|1,0,0]=3 3365 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [2,0,0,0,0,0|1,0,0]=3 3366 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [2,0,0,0,0,0|1,0,0]=3 3367 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [2,0,0,0,0,0|0,0,2]=4 3368 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [2,0,0,0,0,0|1,0,0]=3 3369 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [2,0,0,0,0,0|1,0,0]=3 3370 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [2,0,0,0,0,0|1,0,0]=3 3371 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [2,0,0,0,0,0|1,0,0]=3 3372 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [2,0,0,0,0,0|1,0,0]=3 3373 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [2,0,0,0,0,0|1,0,0]=3 3374 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [2,0,0,0,0,0|1,0,0]=3 3375 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [2,0,0,0,0,0|1,0,0]=3 3376 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [2,0,0,0,0,0|1,0,0]=3 3377 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [2,0,0,0,0,0|1,0,0]=3 3378 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [2,0,0,0,0,0|1,0,0]=3 3379 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [2,0,0,0,0,0|1,0,0]=3 3380 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [2,0,0,0,0,0|0,0,0]=2 3381 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [2,0,0,0,0,0|0,0,0]=2 3382 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [2,0,0,0,0,0|2,0,0]=4 3383 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [2,0,0,0,0,0|2,0,0]=4 3384 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [2,0,0,0,0,0|2,0,0]=4 3385 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [2,0,0,0,0,0|2,0,0]=4 3386 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [2,0,0,0,0,0|2,0,0]=4 3387 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [2,0,0,0,0,0|1,1,0]=4 3388 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [2,0,0,0,0,0|1,1,0]=4 3389 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [2,0,0,0,0,0|0,1,0]=3 3390 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [2,0,0,0,0,0|0,1,0]=3 3391 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [2,0,0,0,0,0|2,0,0]=4 3392 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [2,0,0,0,0,0|2,0,0]=4 3393 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [2,0,0,0,0,0|1,1,0]=4 3394 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [2,0,0,0,0,0|1,1,0]=4 3395 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [2,0,0,0,0,0|1,1,0]=4 3396 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [2,0,0,0,0,0|1,1,0]=4 3397 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [2,0,0,0,0,0|1,1,0]=4 3398 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [2,0,0,0,0,0|1,1,0]=4 3399 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [2,0,0,0,0,0|1,1,0]=4 3400 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [2,0,0,0,0,0|1,1,0]=4 3401 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [2,0,0,0,0,0|1,1,0]=4 3402 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [2,0,0,0,0,0|0,1,0]=3 3403 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [2,0,0,0,0,0|0,1,0]=3 3404 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [2,0,0,0,0,0|0,1,0]=3 3405 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [2,0,0,0,0,0|0,1,0]=3 3406 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [2,0,0,0,0,0|0,2,0]=4 3407 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [2,0,0,0,0,0|0,2,0]=4 3408 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [2,0,0,0,0,0|2,0,0]=4 3409 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [2,0,0,0,0,0|2,0,0]=4 3410 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [2,0,0,0,0,0|2,0,0]=4 3411 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [2,0,0,0,0,0|2,0,0]=4 3412 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [2,0,0,0,0,0|2,0,0]=4 3413 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [2,0,0,0,0,0|2,0,0]=4 3414 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [2,0,0,0,0,0|2,0,0]=4 3415 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 3416 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 3417 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [2,0,0,0,0,0|2,0,0]=4 3418 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 3419 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [2,0,0,0,0,0|2,0,0]=4 3420 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [2,0,0,0,0,0|1,0,0]=3 3421 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [2,0,0,0,0,0|2,0,0]=4 3422 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [2,0,0,0,0,0|1,0,0]=3 3423 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [2,0,0,0,0,0|2,0,0]=4 3424 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [2,0,0,0,0,0|1,0,0]=3 3425 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 3426 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [2,0,0,0,0,0|1,1,0]=4 3427 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [2,0,0,0,0,0|1,1,0]=4 3428 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [2,0,0,0,0,0|2,0,0]=4 3429 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [2,0,0,0,0,0|1,0,0]=3 3430 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [2,0,0,0,0,0|1,0,0]=3 3431 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [2,0,0,0,0,0|1,0,0]=3 3432 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [2,0,0,0,0,0|1,1,0]=4 3433 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [2,0,0,0,0,0|1,1,0]=4 3434 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [2,0,0,0,0,0|0,1,0]=3 3435 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [2,0,0,0,0,0|0,1,0]=3 3436 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 3437 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [2,0,0,0,0,0|2,0,0]=4 3438 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [2,0,0,0,0,0|2,0,0]=4 3439 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [2,0,0,0,0,0|2,0,0]=4 3440 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [2,0,0,0,0,0|1,0,0]=3 3441 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [2,0,0,0,0,0|1,0,0]=3 3442 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [2,0,0,0,0,0|1,0,0]=3 3443 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [2,0,0,0,0,0|1,1,0]=4 3444 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [2,0,0,0,0,0|1,1,0]=4 3445 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 3446 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 3447 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [2,0,0,0,0,0|1,0,0]=3 3448 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [2,0,0,0,0,0|1,0,0]=3 3449 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [2,0,0,0,0,0|1,1,0]=4 3450 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 3451 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|2,0,0]=4 3452 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 3453 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|2,0,0]=4 3454 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 3455 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|2,0,0]=4 3456 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|2,0,0]=4 3457 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [2,0,0,0,0,0|1,0,0]=3 3458 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [2,0,0,0,0,0|1,0,0]=3 3459 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [2,0,0,0,0,0|1,0,0]=3 3460 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [2,0,0,0,0,0|1,0,0]=3 3461 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [2,0,0,0,0,0|1,0,0]=3 3462 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [2,0,0,0,0,0|1,0,0]=3 3463 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [2,0,0,0,0,0|1,0,0]=3 3464 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [2,0,0,0,0,0|1,0,0]=3 3465 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [2,0,0,0,0,0|1,0,0]=3 3466 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [2,0,0,0,0,0|1,1,0]=4 3467 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [2,0,0,0,0,0|1,1,0]=4 3468 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [2,0,0,0,0,0|0,1,0]=3 3469 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [2,0,0,0,0,0|0,1,0]=3 3470 B9R0.2 C#CCCCOCC(C)O 34a_100000215630_100011218427 [1,1,0,0,0,0|1,0,1]=4 3471 B9R0.2 C#CCCCOCC(C)O 7a_100000215630_100011218427 [1,1,0,0,0,0|1,0,1]=4 3472 B9R0.2 C#CCCCOC[C@@H](C)O 34a_100000215630_100009817552 [1,1,0,0,0,0|1,0,1]=4 3473 B9R0.2 C#CCCCOC[C@@H](C)O 7a_100000215630_100009817552 [1,1,0,0,0,0|1,0,1]=4 3474 B9R0.2 C#CCOCCCC(C)O 34a_100000210247_200000718107 [1,1,0,0,0,0|1,0,1]=4 3475 B9R0.2 C#CCOCCOC(C)C 34a_100000054580_100000210206 [1,1,0,0,0,0|1,0,1]=4 3476 B9R0.2 C#CCOCCOC(C)C 34a_100000210247_100000211751 [1,1,0,0,0,0|1,0,1]=4 3477 B9R0.2 C#CCOCCOC(C)C 34a_100000211219_100000184674 [1,1,0,0,0,0|1,0,1]=4 3478 B9R0.2 C#CCOCCOC(C)C 34a_100000212225_100010402529 [1,1,0,0,0,0|1,0,1]=4 3479 B9R0.2 C#CCOCCOC(C)C 7a_100000054580_100000210206 [1,1,0,0,0,0|1,0,1]=4 3480 B9R0.2 C#CCOCCOC(C)C 7a_100000211219_100000038162 [1,1,0,0,0,0|1,0,1]=4 3481 B9R0.2 C/C=C/CCOCC(C)O 34a_100016278192_100011218427 [1,1,0,0,0,0|1,0,1]=4 3482 B9R0.2 C/C=C/CCOC[C@@H](C)O 34a_100016278192_100009817552 [1,1,0,0,0,0|1,0,1]=4 3483 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,1,0,0,0,0|1,0,1]=4 3484 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [1,1,0,0,0,0|1,0,1]=4 3485 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [1,1,0,0,0,0|1,0,1]=4 3486 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [1,1,0,0,0,0|1,0,1]=4 3487 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [1,1,0,0,0,0|1,0,1]=4 3488 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [1,1,0,0,0,0|1,0,1]=4 3489 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [1,1,0,0,0,0|1,0,1]=4 3490 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [1,1,0,0,0,0|1,0,1]=4 3491 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [1,1,0,0,0,0|1,0,1]=4 3492 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [1,1,0,0,0,0|1,0,1]=4 3493 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [1,1,0,0,0,0|1,0,1]=4 3494 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [1,1,0,0,0,0|1,0,1]=4 3495 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [1,1,0,0,0,0|1,0,1]=4 3496 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [1,1,0,0,0,0|1,0,1]=4 3497 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [1,1,0,0,0,0|1,0,1]=4 3498 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [1,1,0,0,0,0|1,0,1]=4 3499 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [1,1,0,0,0,0|1,0,1]=4 3500 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [1,1,0,0,0,0|1,0,1]=4 3501 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [1,1,0,0,0,0|0,0,2]=4 3502 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [1,1,0,0,0,0|0,0,2]=4 3503 B9R0.2 CC#CCCOCC(C)O 34a_100000750427_100011218427 [1,1,0,0,0,0|1,0,1]=4 3504 B9R0.2 CC#CCCOC[C@@H](C)O 34a_100000750427_100009817552 [1,1,0,0,0,0|1,0,1]=4 3505 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,1,0,0,0,0|0,0,2]=4 3506 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,1,0,0,0,0|0,0,2]=4 3507 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,1,0,0,0,0|0,0,2]=4 3508 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,1,0,0,0,0|1,0,1]=4 3509 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,1,0,0,0,0|1,0,1]=4 3510 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,1,0,0,0,0|1,0,1]=4 3511 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,1,0,0,0,0|1,0,1]=4 3512 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,1,0,0,0,0|1,0,1]=4 3513 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,1,0,0,0,0|0,1,1]=4 3514 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,1,0,0,0,0|0,1,1]=4 3515 B9R0.2 CC(Br)COCCCCF 34a_100012180447_100000729493 [1,1,0,0,0,0|2,0,0]=4 3516 B9R0.2 CC(Br)COCCCCO 34a_100012180447_100011216708 [1,1,0,0,0,0|1,0,0]=3 3517 B9R0.2 CC(C)CCCNCCO 2230a_100016997473_100011214892 [1,1,0,0,0,0|2,0,0]=4 3518 B9R0.2 CC(C)CCCNCCO 2230a_200000737386_100000211926 [1,1,0,0,0,0|2,0,0]=4 3519 B9R0.2 CC(C)CCCNCCO 34a_100016990907_100011214892 [1,1,0,0,0,0|2,0,0]=4 3520 B9R0.2 CC(C)CCCNCCO 34a_200000737386_100000211926 [1,1,0,0,0,0|2,0,0]=4 3521 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [1,1,0,0,0,0|2,0,0]=4 3522 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 3523 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [1,1,0,0,0,0|2,0,0]=4 3524 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,1,0,0,0,0|2,0,0]=4 3525 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 3526 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [1,1,0,0,0,0|1,0,0]=3 3527 B9R0.2 CC(C)CCCSCCO 62a_100000211926_100011214892 [1,1,0,0,0,0|1,1,0]=4 3528 B9R0.2 CC(C)CCCSCCO 62a_100011214892_100000211926 [1,1,0,0,0,0|1,1,0]=4 3529 B9R0.2 CC(C)CNCCCCO 2230a_100000210953_100000210776 [1,1,0,0,0,0|2,0,0]=4 3530 B9R0.2 CC(C)CNCCCCO 2230a_100000750430_100000210760 [1,1,0,0,0,0|2,0,0]=4 3531 B9R0.2 CC(C)CNCCCCO 270004a_100000750430_100000210432 [1,1,0,0,0,0|2,0,0]=4 3532 B9R0.2 CC(C)CNCCCCO 34a_100000210953_100011216708 [1,1,0,0,0,0|2,0,0]=4 3533 B9R0.2 CC(C)CNCCCCO 34a_100000750430_100000210624 [1,1,0,0,0,0|2,0,0]=4 3534 B9R0.2 CC(C)COCCCCBr 34a_100011216708_100000210624 [1,1,0,0,0,0|2,0,0]=4 3535 B9R0.2 CC(C)COCCCCCl 34a_100000210776_100000210624 [1,1,0,0,0,0|2,0,0]=4 3536 B9R0.2 CC(C)COCCCCCl 7a_100000210776_100000210760 [1,1,0,0,0,0|2,0,0]=4 3537 B9R0.2 CC(C)COCCCCF 34a_100000210257_100000729493 [1,1,0,0,0,0|2,0,0]=4 3538 B9R0.2 CC(C)COCCCCF 34a_100011995726_100000210624 [1,1,0,0,0,0|2,0,0]=4 3539 B9R0.2 CC(C)COCCCCF 7a_100011995726_100000210760 [1,1,0,0,0,0|2,0,0]=4 3540 B9R0.2 CC(C)COCCCCI 34a_200012148704_100000210624 [1,1,0,0,0,0|2,0,0]=4 3541 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,1,0,0,0,0|2,0,0]=4 3542 B9R0.2 CC(C)COCCCCO 34a_100000210257_100011216708 [1,1,0,0,0,0|1,0,0]=3 3543 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [1,1,0,0,0,0|2,0,0]=4 3544 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [1,1,0,0,0,0|2,0,0]=4 3545 B9R0.2 CC(C)CSCCCCO 62a_100000210624_100000210776 [1,1,0,0,0,0|1,1,0]=4 3546 B9R0.2 CC(C)CSCCCCO 62a_100000210776_100000210760 [1,1,0,0,0,0|1,1,0]=4 3547 B9R0.2 CC(C)NCCCCCO 2230a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 3548 B9R0.2 CC(C)NCCCCCO 2230a_100138425928_100000746330 [1,1,0,0,0,0|2,0,0]=4 3549 B9R0.2 CC(C)NCCCCCO 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 3550 B9R0.2 CC(C)NCCCCCO 34a_100138425928_100000746330 [1,1,0,0,0,0|2,0,0]=4 3551 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [1,1,0,0,0,0|2,0,0]=4 3552 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [1,1,0,0,0,0|1,0,0]=3 3553 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [1,1,0,0,0,0|1,0,0]=3 3554 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [1,1,0,0,0,0|1,0,0]=3 3555 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [1,1,0,0,0,0|1,0,0]=3 3556 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [1,1,0,0,0,0|1,0,0]=3 3557 B9R0.2 CC(C)NCCSCCO 2230a_100011219999_100000210206 [1,1,0,0,0,0|1,1,0]=4 3558 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 3559 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,1,0,0,0,0|2,0,0]=4 3560 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 3561 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,1,0,0,0,0|2,0,0]=4 3562 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,1,0,0,0,0|2,0,0]=4 3563 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 3564 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,1,0,0,0,0|2,0,0]=4 3565 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,1,0,0,0,0|2,0,0]=4 3566 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|1,0,0]=3 3567 B9R0.2 CC(C)OCCNCCF 2230a_100000701111_100011217306 [1,1,0,0,0,0|2,0,0]=4 3568 B9R0.2 CC(C)OCCNCCF 34a_100000701111_100011217306 [1,1,0,0,0,0|2,0,0]=4 3569 B9R0.2 CC(C)OCCNCCF 34a_100000724931_100000211751 [1,1,0,0,0,0|2,0,0]=4 3570 B9R0.2 CC(C)OCCNCCO 2230a_100000701111_100000211926 [1,1,0,0,0,0|1,0,0]=3 3571 B9R0.2 CC(C)OCCNCCO 2230a_100016997473_100000211751 [1,1,0,0,0,0|1,0,0]=3 3572 B9R0.2 CC(C)OCCNCCO 34a_100000701111_100000211926 [1,1,0,0,0,0|1,0,0]=3 3573 B9R0.2 CC(C)OCCNCCO 34a_100016990907_100000211751 [1,1,0,0,0,0|1,0,0]=3 3574 B9R0.2 CC(C)OCCOCC#N 7a_100000211219_100011215382 [1,1,0,0,0,0|1,0,1]=4 3575 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [1,1,0,0,0,0|0,0,2]=4 3576 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [1,1,0,0,0,0|0,0,2]=4 3577 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [1,1,0,0,0,0|1,0,0]=3 3578 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [1,1,0,0,0,0|1,0,0]=3 3579 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [1,1,0,0,0,0|1,0,0]=3 3580 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [1,1,0,0,0,0|1,0,0]=3 3581 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [1,1,0,0,0,0|1,0,0]=3 3582 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [1,1,0,0,0,0|1,0,0]=3 3583 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [1,1,0,0,0,0|1,0,0]=3 3584 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [1,1,0,0,0,0|1,0,0]=3 3585 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [1,1,0,0,0,0|1,0,0]=3 3586 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [1,1,0,0,0,0|1,0,0]=3 3587 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [1,1,0,0,0,0|1,0,0]=3 3588 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [1,1,0,0,0,0|1,0,0]=3 3589 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [1,1,0,0,0,0|1,0,0]=3 3590 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [1,1,0,0,0,0|0,0,0]=2 3591 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [1,1,0,0,0,0|0,0,0]=2 3592 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [1,1,0,0,0,0|0,0,0]=2 3593 B9R0.2 CC(C)OCCSCCF 62a_100000211751_100011217306 [1,1,0,0,0,0|1,1,0]=4 3594 B9R0.2 CC(C)OCCSCCF 62a_100011217306_100000211751 [1,1,0,0,0,0|1,1,0]=4 3595 B9R0.2 CC(C)OCCSCCO 62a_100000211751_100000211926 [1,1,0,0,0,0|0,1,0]=3 3596 B9R0.2 CC(C)OCCSCCO 62a_100000211926_100000211751 [1,1,0,0,0,0|0,1,0]=3 3597 B9R0.2 CC(C)OCSCCCO 62a_100000709892_100011215043 [1,1,0,0,0,0|2,0,0]=4 3598 B9R0.2 CC(C)OCSCCCO 62a_100011215043_100000709892 [1,1,0,0,0,0|2,0,0]=4 3599 B9R0.2 CC(C)SCCCCCO 62a_100000210206_100000746330 [1,1,0,0,0,0|1,1,0]=4 3600 B9R0.2 CC(C)SCCCCCO 62a_100000746330_100000210206 [1,1,0,0,0,0|1,1,0]=4 3601 B9R0.2 CC(C)SCCNCCO 2230a_100000731138_100000211926 [1,1,0,0,0,0|1,1,0]=4 3602 B9R0.2 CC(C)SCCNCCO 2230a_100016997473_100000730970 [1,1,0,0,0,0|1,1,0]=4 3603 B9R0.2 CC(C)SCCNCCO 34a_100000731138_100000211926 [1,1,0,0,0,0|1,1,0]=4 3604 B9R0.2 CC(C)SCCNCCO 34a_100016990907_100000730970 [1,1,0,0,0,0|1,1,0]=4 3605 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [1,1,0,0,0,0|1,1,0]=4 3606 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [1,1,0,0,0,0|1,1,0]=4 3607 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [1,1,0,0,0,0|1,1,0]=4 3608 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [1,1,0,0,0,0|1,1,0]=4 3609 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [1,1,0,0,0,0|0,1,0]=3 3610 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [1,1,0,0,0,0|0,1,0]=3 3611 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [1,1,0,0,0,0|0,1,0]=3 3612 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [1,1,0,0,0,0|0,1,0]=3 3613 B9R0.2 CC(C)SCCSCCO 62a_100000211926_100000730970 [1,1,0,0,0,0|0,2,0]=4 3614 B9R0.2 CC(C)SCCSCCO 62a_100000730970_100000211926 [1,1,0,0,0,0|0,2,0]=4 3615 B9R0.2 CC(F)COCCCCF 34a_100015925927_100000729493 [1,1,0,0,0,0|2,0,0]=4 3616 B9R0.2 CC(F)COCCCCO 34a_100015925927_100011216708 [1,1,0,0,0,0|1,0,0]=3 3617 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [1,1,0,0,0,0|2,0,0]=4 3618 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [1,1,0,0,0,0|1,0,0]=3 3619 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [1,1,0,0,0,0|1,0,0]=3 3620 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [1,1,0,0,0,0|1,0,0]=3 3621 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,1,0,0,0,0|1,0,0]=3 3622 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [1,1,0,0,0,0|1,1,0]=4 3623 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [1,1,0,0,0,0|1,1,0]=4 3624 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [1,1,0,0,0,0|0,1,0]=3 3625 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [1,1,0,0,0,0|0,1,0]=3 3626 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [1,1,0,0,0,0|2,0,0]=4 3627 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [1,1,0,0,0,0|2,0,0]=4 3628 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [1,1,0,0,0,0|2,0,0]=4 3629 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 3630 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 3631 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [1,1,0,0,0,0|1,0,0]=3 3632 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [1,1,0,0,0,0|1,0,0]=3 3633 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,0]=3 3634 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,0]=3 3635 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [1,1,0,0,0,0|1,0,0]=3 3636 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [1,1,0,0,0,0|1,0,0]=3 3637 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [1,1,0,0,0,0|1,0,0]=3 3638 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [1,1,0,0,0,0|1,0,0]=3 3639 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [1,1,0,0,0,0|1,0,0]=3 3640 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [1,1,0,0,0,0|1,0,0]=3 3641 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,1,0,0,0,0|1,0,0]=3 3642 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [1,1,0,0,0,0|1,1,0]=4 3643 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [1,1,0,0,0,0|1,1,0]=4 3644 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [1,1,0,0,0,0|0,1,0]=3 3645 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [1,1,0,0,0,0|0,1,0]=3 3646 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|1,0,1]=4 3647 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|1,0,1]=4 3648 B9R0.2 CCC#CCOCC(C)O 34a_100000032950_100011218427 [1,1,0,0,0,0|1,0,1]=4 3649 B9R0.2 CCC#CCOC[C@@H](C)O 34a_100000032950_100009817552 [1,1,0,0,0,0|1,0,1]=4 3650 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|2,0,0]=4 3651 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|2,0,0]=4 3652 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|2,0,0]=4 3653 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|2,0,0]=4 3654 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|2,0,0]=4 3655 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|2,0,0]=4 3656 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|2,0,0]=4 3657 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|2,0,0]=4 3658 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|2,0,0]=4 3659 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|2,0,0]=4 3660 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|2,0,0]=4 3661 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|2,0,0]=4 3662 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|1,0,0]=3 3663 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|1,0,0]=3 3664 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 3665 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [1,1,0,0,0,0|2,0,0]=4 3666 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [1,1,0,0,0,0|2,0,0]=4 3667 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|2,0,0]=4 3668 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|2,0,0]=4 3669 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|1,0,0]=3 3670 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|1,0,0]=3 3671 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|1,1,0]=4 3672 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|1,1,0]=4 3673 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|1,1,0]=4 3674 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|1,1,0]=4 3675 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 3676 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,1,0,0,0,0|2,0,0]=4 3677 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|2,0,0]=4 3678 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|2,0,0]=4 3679 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|2,0,0]=4 3680 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|1,0,0]=3 3681 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [1,1,0,0,0,0|2,0,0]=4 3682 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [1,1,0,0,0,0|2,0,0]=4 3683 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [1,1,0,0,0,0|2,0,0]=4 3684 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [1,1,0,0,0,0|2,0,0]=4 3685 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [1,1,0,0,0,0|2,0,0]=4 3686 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,1,0,0,0,0|1,0,1]=4 3687 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,1,0,0,0,0|1,0,0]=3 3688 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,1,0,0,0,0|1,0,0]=3 3689 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,1,0,0,0,0|1,0,0]=3 3690 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,1,0,0,0,0|1,0,0]=3 3691 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,1,0,0,0,0|1,0,0]=3 3692 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,1,0,0,0,0|1,0,0]=3 3693 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [1,1,0,0,0,0|1,1,0]=4 3694 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [1,1,0,0,0,0|1,1,0]=4 3695 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [1,1,0,0,0,0|1,1,0]=4 3696 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [1,1,0,0,0,0|1,1,0]=4 3697 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [1,1,0,0,0,0|1,1,0]=4 3698 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|1,1,0]=4 3699 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|1,1,0]=4 3700 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,1,0,0,0,0|1,1,0]=4 3701 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,1,0,0,0,0|1,1,0]=4 3702 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,1,0,0,0,0|1,1,0]=4 3703 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,1,0,0,0,0|1,1,0]=4 3704 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,1,0,0,0,0|1,0,1]=4 3705 B9R0.2 CCNCCOCC(F)F 2230a_100015525214_200012177212 [1,1,0,0,0,0|2,0,0]=4 3706 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,1,0,0,0,0|2,0,0]=4 3707 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|2,0,0]=4 3708 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|2,0,0]=4 3709 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|2,0,0]=4 3710 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,1,0,0,0,0|1,0,1]=4 3711 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,1,0,0,0,0|2,0,0]=4 3712 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,1,0,0,0,0|2,0,0]=4 3713 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,1,0,0,0,0|2,0,0]=4 3714 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,1,0,0,0,0|2,0,0]=4 3715 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,1,0,0,0,0|2,0,0]=4 3716 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,1,0,0,0,0|2,0,0]=4 3717 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|1,0,0]=3 3718 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|1,0,0]=3 3719 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|1,0,0]=3 3720 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|1,0,0]=3 3721 B9R0.2 CCOCCNCC(F)F 2230a_102516460346_100011934356 [1,1,0,0,0,0|2,0,0]=4 3722 B9R0.2 CCOCCNCC(F)F 34a_100000765723_100000210147 [1,1,0,0,0,0|2,0,0]=4 3723 B9R0.2 CCOCCNCC(F)F 34a_102516460346_100011934356 [1,1,0,0,0,0|2,0,0]=4 3724 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|1,0,0]=3 3725 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|1,0,0]=3 3726 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,1,0,0,0,0|0,0,2]=4 3727 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,1,0,0,0,0|0,0,2]=4 3728 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,1,0,0,0,0|0,0,2]=4 3729 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,1,0,0,0,0|0,0,2]=4 3730 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,1,0,0,0,0|0,0,2]=4 3731 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [1,1,0,0,0,0|1,0,0]=3 3732 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,1,0,0,0,0|1,0,0]=3 3733 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,1,0,0,0,0|1,0,0]=3 3734 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,1,0,0,0,0|1,0,0]=3 3735 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,1,0,0,0,0|1,0,0]=3 3736 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,1,0,0,0,0|1,0,0]=3 3737 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [1,1,0,0,0,0|1,0,0]=3 3738 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|0,0,0]=2 3739 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|0,0,0]=2 3740 B9R0.2 CCOCCOCC(F)F 34a_100000210136_100011934356 [1,1,0,0,0,0|1,0,0]=3 3741 B9R0.2 CCOCCOCC(F)F 34a_100000704375_100000210202 [1,1,0,0,0,0|1,0,0]=3 3742 B9R0.2 CCOCCOCC(F)F 34a_100000743014_100000210147 [1,1,0,0,0,0|1,0,0]=3 3743 B9R0.2 CCOCCOCC(F)F 34a_100121572206_200012177212 [1,1,0,0,0,0|1,0,0]=3 3744 B9R0.2 CCOCCOCC(F)F 7a_100000210136_100011934356 [1,1,0,0,0,0|1,0,0]=3 3745 B9R0.2 CCOCCOCC(F)F 7a_100000704375_100000210202 [1,1,0,0,0,0|1,0,0]=3 3746 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [1,1,0,0,0,0|1,0,0]=3 3747 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [1,1,0,0,0,0|1,0,0]=3 3748 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|0,0,0]=2 3749 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|0,0,0]=2 3750 B9R0.2 CCOCCOC[N+](=O)[O-] 34a_100000210136_100000761209 [1,1,0,0,0,0|1,0,1]=4 3751 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,1,0,0,0,0|1,1,0]=4 3752 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,1,0,0,0,0|1,1,0]=4 3753 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,1,0,0,0,0|1,1,0]=4 3754 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,1,0,0,0,0|1,1,0]=4 3755 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|0,1,0]=3 3756 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|0,1,0]=3 3757 B9R0.2 CCOCCSCC(F)F 62a_100000210147_100011934356 [1,1,0,0,0,0|1,1,0]=4 3758 B9R0.2 CCOCCSCC(F)F 62a_100011934356_100011215890 [1,1,0,0,0,0|1,1,0]=4 3759 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|0,1,0]=3 3760 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|0,1,0]=3 3761 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [1,1,0,0,0,0|1,0,1]=4 3762 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,1,0,0,0,0|2,0,0]=4 3763 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,1,0,0,0,0|2,0,0]=4 3764 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [1,1,0,0,0,0|1,1,0]=4 3765 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [1,1,0,0,0,0|1,1,0]=4 3766 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [1,1,0,0,0,0|1,1,0]=4 3767 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [1,1,0,0,0,0|1,1,0]=4 3768 B9R0.2 CCSCCOCC(C)Br 34a_100012180447_100000757381 [1,1,0,0,0,0|1,1,0]=4 3769 B9R0.2 CCSCCOCC(C)C 34a_100000210257_100000757381 [1,1,0,0,0,0|1,1,0]=4 3770 B9R0.2 CCSCCOCC(C)C 34a_100000212035_100000210624 [1,1,0,0,0,0|1,1,0]=4 3771 B9R0.2 CCSCCOCC(C)C 7a_100000212035_100000210760 [1,1,0,0,0,0|1,1,0]=4 3772 B9R0.2 CCSCCOCC(C)F 34a_100015925927_100000757381 [1,1,0,0,0,0|1,1,0]=4 3773 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [1,1,0,0,0,0|0,1,0]=3 3774 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [1,1,0,0,0,0|0,1,0]=3 3775 B9R0.2 CCSCCOCC(F)F 34a_100000212035_100011934356 [1,1,0,0,0,0|1,1,0]=4 3776 B9R0.2 CCSCCOCC(F)F 34a_100000743014_100000757381 [1,1,0,0,0,0|1,1,0]=4 3777 B9R0.2 CCSCCOCC(F)F 62a_100000210202_200012177212 [1,1,0,0,0,0|1,1,0]=4 3778 B9R0.2 CCSCCOCC(F)F 62a_200012177212_100000210202 [1,1,0,0,0,0|1,1,0]=4 3779 B9R0.2 CCSCCOCC(F)F 7a_100000212035_100011934356 [1,1,0,0,0,0|1,1,0]=4 3780 B9R0.2 CCSCCOC[C@@H](C)Cl 34a_100016084084_100000757381 [1,1,0,0,0,0|1,1,0]=4 3781 B9R0.2 CCSCCOC[C@@H](C)N 34a_100000737577_100000757381 [1,1,0,0,0,0|1,1,0]=4 3782 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [1,1,0,0,0,0|0,1,0]=3 3783 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [1,1,0,0,0,0|0,1,0]=3 3784 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [1,1,0,0,0,0|0,2,0]=4 3785 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [1,1,0,0,0,0|0,2,0]=4 3786 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [1,1,0,0,0,0|0,2,0]=4 3787 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [1,1,0,0,0,0|0,2,0]=4 3788 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [1,1,0,0,0,0|2,0,0]=4 3789 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [1,1,0,0,0,0|2,0,0]=4 3790 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [1,1,0,0,0,0|2,0,0]=4 3791 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [1,1,0,0,0,0|2,0,0]=4 3792 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [1,1,0,0,0,0|2,0,0]=4 3793 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [1,1,0,0,0,0|2,0,0]=4 3794 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [1,1,0,0,0,0|2,0,0]=4 3795 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [1,1,0,0,0,0|2,0,0]=4 3796 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [1,1,0,0,0,0|2,0,0]=4 3797 B9R0.2 C[C@@H](Cl)COCCCCF 34a_100016084084_100000729493 [1,1,0,0,0,0|2,0,0]=4 3798 B9R0.2 C[C@@H](Cl)COCCCCO 34a_100016084084_100011216708 [1,1,0,0,0,0|1,0,0]=3 3799 B9R0.2 C[C@@H](N)COCCCCF 34a_100000737577_100000729493 [1,1,0,0,0,0|2,0,0]=4 3800 B9R0.2 C[C@@H](N)COCCCCO 34a_100000737577_100011216708 [1,1,0,0,0,0|1,0,0]=3 3801 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [1,1,0,0,0,0|1,0,0]=3 3802 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,0]=3 3803 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [1,1,0,0,0,0|1,0,0]=3 3804 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [1,1,0,0,0,0|1,0,0]=3 3805 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [1,1,0,0,0,0|1,0,0]=3 3806 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [1,1,0,0,0,0|1,0,0]=3 3807 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [1,1,0,0,0,0|1,0,0]=3 3808 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [1,1,0,0,0,0|1,0,0]=3 3809 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,1,0,0,0,0|1,0,0]=3 3810 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [1,1,0,0,0,0|1,1,0]=4 3811 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [1,1,0,0,0,0|1,1,0]=4 3812 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [1,1,0,0,0,0|0,1,0]=3 3813 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [1,1,0,0,0,0|0,1,0]=3 3814 B9R0.2 FC(F)COCCCCBr 34a_100011216708_100011934356 [1,1,0,0,0,0|2,0,0]=4 3815 B9R0.2 FC(F)COCCCCCl 34a_100000210776_100011934356 [1,1,0,0,0,0|2,0,0]=4 3816 B9R0.2 FC(F)COCCCCCl 7a_100000210776_100011934356 [1,1,0,0,0,0|2,0,0]=4 3817 B9R0.2 FC(F)COCCCCI 34a_200012148704_100011934356 [1,1,0,0,0,0|2,0,0]=4 3818 B9R0.2 FCCCCOCC(F)F 34a_100000743014_100000729493 [1,1,0,0,0,0|2,0,0]=4 3819 B9R0.2 FCCCCOCC(F)F 34a_100011995726_100011934356 [1,1,0,0,0,0|2,0,0]=4 3820 B9R0.2 FCCCCOCC(F)F 7a_100011995726_100011934356 [1,1,0,0,0,0|2,0,0]=4 3821 B9R0.2 FCOCCOCC(F)F 34a_100000704375_100015361967 [1,1,0,0,0,0|2,0,0]=4 3822 B9R0.2 FCOCCOCC(F)F 7a_100000704375_100015361967 [1,1,0,0,0,0|2,0,0]=4 3823 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [1,1,0,0,0,0|0,0,2]=4 3824 B9R0.2 NCCCCOCC(F)F 34a_100000750430_100011934356 [1,1,0,0,0,0|2,0,0]=4 3825 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,1,0,0,0,0|1,0,1]=4 3826 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,1,0,0,0,0|1,0,1]=4 3827 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [1,1,0,0,0,0|1,0,1]=4 3828 B9R0.2 OCCCCNCC(F)F 2230a_100000750430_100011934356 [1,1,0,0,0,0|2,0,0]=4 3829 B9R0.2 OCCCCNCC(F)F 34a_100000750430_100011934356 [1,1,0,0,0,0|2,0,0]=4 3830 B9R0.2 OCCCCNCC(F)F 34a_100000765723_100011216708 [1,1,0,0,0,0|2,0,0]=4 3831 B9R0.2 OCCCCOCC(F)F 34a_100000743014_100011216708 [1,1,0,0,0,0|1,0,0]=3 3832 B9R0.2 OCCCCSCC(F)F 62a_100000210776_100011934356 [1,1,0,0,0,0|1,1,0]=4 3833 B9R0.2 OCCCCSCC(F)F 62a_100011934356_100000210776 [1,1,0,0,0,0|1,1,0]=4 3834 B9R0.5 C#CCOCC(C)OCC 34a_100011025554_100000210202 [1,1,0,0,0,0|1,0,1]=4 3835 B9R0.5 C#CCOCC(C)OCC 7a_100011025554_100000210202 [1,1,0,0,0,0|1,0,1]=4 3836 B9R0.5 C=CCC(C)COCCO 34a_100009832082_100000211926 [1,1,0,0,0,0|1,0,1]=4 3837 B9R0.5 C=CCC(C)COCCO 7a_100009832082_100000211926 [1,1,0,0,0,0|1,0,1]=4 3838 B9R0.5 C=CC[C@@H](N)COCCO 34a_100020615467_100000211926 [1,1,0,0,0,0|1,0,1]=4 3839 B9R0.5 CC(CCN)COCCF 34a_106354213184_100011217306 [1,1,0,0,0,0|2,0,0]=4 3840 B9R0.5 CC(CCN)COCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|1,0,0]=3 3841 B9R0.5 CC(CCO)SCCCO 62a_100009893172_100011215043 [1,1,0,0,0,0|2,0,0]=4 3842 B9R0.5 CC(CCO)SCCCO 62a_100011215043_100009893172 [1,1,0,0,0,0|2,0,0]=4 3843 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,1,0,0,0,0|2,0,0]=4 3844 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,1,0,0,0,0|2,0,0]=4 3845 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,1,0,0,0,0|2,0,0]=4 3846 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,1,0,0,0,0|2,0,0]=4 3847 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,1,0,0,0,0|1,0,1]=4 3848 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,1,0,0,0,0|2,0,0]=4 3849 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,1,0,0,0,0|2,0,0]=4 3850 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [1,1,0,0,0,0|2,0,0]=4 3851 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [1,1,0,0,0,0|2,0,0]=4 3852 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [1,1,0,0,0,0|2,0,0]=4 3853 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [1,1,0,0,0,0|2,0,0]=4 3854 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 3855 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [1,1,0,0,0,0|2,0,0]=4 3856 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [1,1,0,0,0,0|2,0,0]=4 3857 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 3858 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [1,1,0,0,0,0|1,0,0]=3 3859 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [1,1,0,0,0,0|1,1,0]=4 3860 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [1,1,0,0,0,0|1,1,0]=4 3861 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,1,0,0,0,0|2,0,0]=4 3862 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,1,0,0,0,0|2,0,0]=4 3863 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,1,0,0,0,0|2,0,0]=4 3864 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,1,0,0,0,0|2,0,0]=4 3865 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,1,0,0,0,0|2,0,0]=4 3866 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,1,0,0,0,0|2,0,0]=4 3867 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,1,0,0,0,0|2,0,0]=4 3868 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,1,0,0,0,0|2,0,0]=4 3869 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,1,0,0,0,0|2,0,0]=4 3870 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,1,0,0,0,0|2,0,0]=4 3871 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,1,0,0,0,0|2,0,0]=4 3872 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,1,0,0,0,0|2,0,0]=4 3873 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,1,0,0,0,0|2,0,0]=4 3874 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,1,0,0,0,0|2,0,0]=4 3875 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,1,0,0,0,0|2,0,0]=4 3876 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,1,0,0,0,0|2,0,0]=4 3877 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,1,0,0,0,0|2,0,0]=4 3878 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 3879 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,1,0,0,0,0|2,0,0]=4 3880 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,1,0,0,0,0|1,0,1]=4 3881 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,1,0,0,0,0|1,0,1]=4 3882 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,1,0,0,0,0|2,0,0]=4 3883 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,1,0,0,0,0|2,0,0]=4 3884 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,1,0,0,0,0|2,0,0]=4 3885 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 3886 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|2,0,0]=4 3887 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,1,0,0,0,0|2,0,0]=4 3888 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|2,0,0]=4 3889 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,0]=3 3890 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,1,0,0,0,0|1,0,1]=4 3891 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,1,0,0,0,0|1,0,1]=4 3892 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,1,0,0,0,0|1,0,1]=4 3893 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,1,0,0,0,0|1,0,1]=4 3894 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,1,0,0,0,0|1,0,1]=4 3895 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,1,0,0,0,0|0,1,1]=4 3896 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,1,0,0,0,0|0,1,1]=4 3897 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,1,0,0,0,0|2,0,0]=4 3898 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,1,0,0,0,0|1,0,0]=3 3899 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,1,0,0,0,0|1,0,0]=3 3900 B9R0.5 CCOCCN(C)CCO 2230a_100000210263_100011215890 [1,1,0,0,0,0|1,0,0]=3 3901 B9R0.5 CCOCCN(C)CCO 269982a_100000210263_100011215890 [1,1,0,0,0,0|1,0,0]=3 3902 B9R0.5 CCOCSC(C)CCO 62a_100000739092_100009893172 [1,1,0,0,0,0|2,0,0]=4 3903 B9R0.5 CCOCSC(C)CCO 62a_100009893172_100000739092 [1,1,0,0,0,0|2,0,0]=4 3904 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,1,0,0,0,0|1,1,0]=4 3905 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,1,0,0,0,0|1,1,0]=4 3906 B9R0.5 CCSCCN(C)CCO 2230a_100000210263_100000757381 [1,1,0,0,0,0|1,1,0]=4 3907 B9R0.5 CCSCCN(C)CCO 269982a_100000210263_100000757381 [1,1,0,0,0,0|1,1,0]=4 3908 B9R0.5 CN(CCF)CCCCO 2230a_100000717598_100011217306 [1,1,0,0,0,0|2,0,0]=4 3909 B9R0.5 CN(CCF)CCCCO 269982a_100000717598_100011217306 [1,1,0,0,0,0|2,0,0]=4 3910 B9R0.5 CN(CCO)CCCCF 2230a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 3911 B9R0.5 CN(CCO)CCCCF 269982a_100000210263_100000729493 [1,1,0,0,0,0|2,0,0]=4 3912 B9R0.5 CN(CCO)CCCCO 2230a_100000210263_100000210776 [1,1,0,0,0,0|1,0,0]=3 3913 B9R0.5 CN(CCO)CCCCO 2230a_100000717598_100000211926 [1,1,0,0,0,0|1,0,0]=3 3914 B9R0.5 CN(CCO)CCCCO 269982a_100000210263_100000210776 [1,1,0,0,0,0|1,0,0]=3 3915 B9R0.5 CN(CCO)CCCCO 269982a_100000717598_100000211926 [1,1,0,0,0,0|1,0,0]=3 3916 B9R0.5 COCC(N)COCCO 34a_100000724102_100000211926 [1,1,0,0,0,0|2,0,0]=4 3917 B9R0.5 C[C@H](CCO)NCCCO 2230a_100000706166_100000230001 [1,1,0,0,0,0|2,0,0]=4 3918 B9R0.5 C[C@H](CCO)NCCCO 34a_100000706166_100000230001 [1,1,0,0,0,0|2,0,0]=4 3919 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,1,0,0,0,0|2,0,0]=4 3920 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [1,1,0,0,0,0|1,0,1]=4 3921 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,1,0,0,0,0|2,0,0]=4 3922 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,1,0,0,0,0|1,0,0]=3 3923 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,1,0,0,0,0|1,0,0]=3 3924 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [1,1,0,0,0,0|0,0,1]=3 3925 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,1,0,0,0,0|2,0,0]=4 3926 B9R0.18 C#CCOC(C)COCC 34a_100000718985_100000184674 [1,1,0,0,0,0|1,0,1]=4 3927 B9R0.18 C#CCOC(C)COCC 34a_200000093152_100000210202 [1,1,0,0,0,0|1,0,1]=4 3928 B9R0.18 C#CCOC(C)COCC 7a_100000718985_100000038162 [1,1,0,0,0,0|1,0,1]=4 3929 B9R0.18 C#CCOC(C)COCC 7a_200000093152_100000210202 [1,1,0,0,0,0|1,0,1]=4 3930 B9R0.18 C=CCCC(C)OCCO 34a_100000765329_100000211926 [1,1,0,0,0,0|1,0,1]=4 3931 B9R0.18 C=CCCC(C)OCCO 7a_100000765329_100000211926 [1,1,0,0,0,0|1,0,1]=4 3932 B9R0.18 C=CCOC(C)COCC 34a_100000718985_100015514636 [1,1,0,0,0,0|1,0,1]=4 3933 B9R0.18 C=CCOC(C)COCC 7a_100000718985_100015514636 [1,1,0,0,0,0|1,0,1]=4 3934 B9R0.18 CC(CCCCl)OCCF 34a_200000718107_100011217306 [1,1,0,0,0,0|2,0,0]=4 3935 B9R0.18 CC(CCCCl)OCCF 7a_200000718107_100011217306 [1,1,0,0,0,0|2,0,0]=4 3936 B9R0.18 CC(CCCCl)OCCO 34a_200000718107_100000211926 [1,1,0,0,0,0|1,0,0]=3 3937 B9R0.18 CC(CCCCl)OCCO 7a_200000718107_100000211926 [1,1,0,0,0,0|1,0,0]=3 3938 B9R0.18 CCC#CC(C)OCCO 34a_100000033903_100000211926 [1,1,0,0,0,0|1,0,1]=4 3939 B9R0.18 CCC#CC(C)OCCO 7a_100000033903_100000211926 [1,1,0,0,0,0|1,0,1]=4 3940 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|2,0,0]=4 3941 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|2,0,0]=4 3942 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [1,1,0,0,0,0|2,0,0]=4 3943 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [1,1,0,0,0,0|2,0,0]=4 3944 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [1,1,0,0,0,0|2,0,0]=4 3945 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [1,1,0,0,0,0|2,0,0]=4 3946 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|2,0,0]=4 3947 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|2,0,0]=4 3948 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|2,0,0]=4 3949 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|2,0,0]=4 3950 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 3951 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|2,0,0]=4 3952 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|2,0,0]=4 3953 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 3954 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,0]=3 3955 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [1,1,0,0,0,0|1,1,0]=4 3956 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [1,1,0,0,0,0|1,1,0]=4 3957 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|2,0,0]=4 3958 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,1]=4 3959 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 3960 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 3961 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 3962 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [1,1,0,0,0,0|2,0,0]=4 3963 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [1,1,0,0,0,0|1,0,0]=3 3964 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [1,1,0,0,0,0|1,0,0]=3 3965 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 3966 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 3967 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,1]=4 3968 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|1,0,1]=4 3969 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|1,0,1]=4 3970 B9R0.18 CCOCC(C)OCC#N 7a_100000718985_100011215382 [1,1,0,0,0,0|1,0,1]=4 3971 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [1,1,0,0,0,0|0,0,2]=4 3972 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [1,1,0,0,0,0|0,0,2]=4 3973 B9R0.18 CCOCC(C)OCCF 34a_100000718985_100011217306 [1,1,0,0,0,0|1,0,0]=3 3974 B9R0.18 CCOCC(C)OCCF 7a_100000718985_100011217306 [1,1,0,0,0,0|1,0,0]=3 3975 B9R0.18 CCOCC(C)OCCO 34a_100000718985_100000211926 [1,1,0,0,0,0|0,0,0]=2 3976 B9R0.18 CCOCC(C)OCCO 7a_100000718985_100000211926 [1,1,0,0,0,0|0,0,0]=2 3977 B9R0.18 CCOCC(C)OCSC 34a_100000718985_100011218213 [1,1,0,0,0,0|2,0,0]=4 3978 B9R0.18 CCOCN(C)CCCO 269982a_100000213112_100000739092 [1,1,0,0,0,0|2,0,0]=4 3979 B9R0.18 CCOC[C@@H](C)OCOC 34a_100016172286_100000210202 [1,1,0,0,0,0|2,0,0]=4 3980 B9R0.18 CCOC[C@@H](C)OCOC 7a_100016172286_100000210202 [1,1,0,0,0,0|2,0,0]=4 3981 B9R0.18 CCSCC(C)NCCO 270004a_100000210304_200011216171 [1,1,0,0,0,0|1,1,0]=4 3982 B9R0.18 CN(CCCO)CCCO 2230a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3983 B9R0.18 CN(CCCO)CCCO 2230a_100000213112_100000230001 [1,1,0,0,0,0|2,0,0]=4 3984 B9R0.18 CN(CCCO)CCCO 269982a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3985 B9R0.18 CN(CCCO)CCCO 269982a_100000213112_100011215043 [1,1,0,0,0,0|2,0,0]=4 3986 B9R0.18 CN(CCCO)CCCO 34a_100000212923_200000210301 [1,1,0,0,0,0|2,0,0]=4 3987 B9R0.18 [13CH3]N(CCCO)CCCO 2230a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3988 B9R0.18 [13CH3]N(CCCO)CCCO 269982a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3989 B9R0.18 [13CH3]N(CCCO)CCCO 34a_100000212923_200025704644 [1,1,0,0,0,0|2,0,0]=4 3990 B9R0.46 C#CC(C)OCCOCC 34a_100000210136_200000035995 [1,1,0,0,0,0|1,0,1]=4 3991 B9R0.46 C#CCCCOC(C)CO 34a_100000215630_100012180447 [1,1,0,0,0,0|1,0,1]=4 3992 B9R0.46 C#CCCCOC(C)CO 7a_100000215630_100012180447 [1,1,0,0,0,0|1,0,1]=4 3993 B9R0.46 C#C[C@@H](C)OCCCCO 34a_100009815206_100011216708 [1,1,0,0,0,0|1,0,1]=4 3994 B9R0.46 C#C[C@@H](C)OCCCCO 7a_100009815206_100000210776 [1,1,0,0,0,0|1,0,1]=4 3995 B9R0.46 C#C[C@@H](C)OCCOCC 34a_100009815206_100000210147 [1,1,0,0,0,0|1,0,1]=4 3996 B9R0.46 C#C[C@@H](C)OCCOCC 7a_100009815206_100011215890 [1,1,0,0,0,0|1,0,1]=4 3997 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [1,1,0,0,0,0|1,0,1]=4 3998 B9R0.46 C=CC(C)OCCCCO 34a_100000695699_100011216708 [1,1,0,0,0,0|1,0,1]=4 3999 B9R0.46 C=CC(C)OCCOCC 34a_100000695699_100000210147 [1,1,0,0,0,0|1,0,1]=4 4000 B9R0.46 C=CCCCOC(C)CO 34a_100000758997_100012180447 [1,1,0,0,0,0|1,0,1]=4 4001 B9R0.46 C=CCCCOC(C)CO 7a_100000758997_100012180447 [1,1,0,0,0,0|1,0,1]=4 4002 B9R0.46 C=COCCOC(C)CO 34a_100000033082_100012180447 [1,1,0,0,0,0|0,0,2]=4 4003 B9R0.46 CC#CCCOC(C)CO 34a_100000750427_100012180447 [1,1,0,0,0,0|1,0,1]=4 4004 B9R0.46 CC(C#N)OCCCCO 34a_100011218135_100011216708 [1,1,0,0,0,0|1,0,1]=4 4005 B9R0.46 CC(CF)OCCCCF 34a_100016041109_100000729493 [1,1,0,0,0,0|2,0,0]=4 4006 B9R0.46 CC(CF)OCCCCF 7a_100016041109_100000729493 [1,1,0,0,0,0|2,0,0]=4 4007 B9R0.46 CC(CF)OCCCCO 34a_100016041109_100011216708 [1,1,0,0,0,0|1,0,0]=3 4008 B9R0.46 CC(CF)OCCCCO 7a_100016041109_100000210776 [1,1,0,0,0,0|1,0,0]=3 4009 B9R0.46 CC(CN)OCCCCF 34a_100000210904_100000729493 [1,1,0,0,0,0|2,0,0]=4 4010 B9R0.46 CC(CN)OCCCCO 34a_100000210904_100011216708 [1,1,0,0,0,0|1,0,0]=3 4011 B9R0.46 CC(CO)CCNCCF 2230a_106354213184_100011217306 [1,1,0,0,0,0|2,0,0]=4 4012 B9R0.46 CC(CO)CCNCCF 34a_106354213184_100011217306 [1,1,0,0,0,0|2,0,0]=4 4013 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [1,1,0,0,0,0|1,0,0]=3 4014 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [1,1,0,0,0,0|1,0,0]=3 4015 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [1,1,0,0,0,0|2,0,0]=4 4016 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [1,1,0,0,0,0|1,0,0]=3 4017 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [1,1,0,0,0,0|1,0,0]=3 4018 B9R0.46 CC(CO)OCCCCBr 34a_100011216708_100012180447 [1,1,0,0,0,0|1,0,0]=3 4019 B9R0.46 CC(CO)OCCCCCl 34a_100000210776_100012180447 [1,1,0,0,0,0|1,0,0]=3 4020 B9R0.46 CC(CO)OCCCCCl 7a_100000210776_100012180447 [1,1,0,0,0,0|1,0,0]=3 4021 B9R0.46 CC(CO)OCCCCF 34a_100011995726_100012180447 [1,1,0,0,0,0|1,0,0]=3 4022 B9R0.46 CC(CO)OCCCCF 7a_100011995726_100012180447 [1,1,0,0,0,0|1,0,0]=3 4023 B9R0.46 CC(CO)OCCCCI 34a_200012148704_100012180447 [1,1,0,0,0,0|1,0,0]=3 4024 B9R0.46 CC(CO)OCCCCN 34a_100000750430_100012180447 [1,1,0,0,0,0|1,0,0]=3 4025 B9R0.46 CC(CO)SCCCCF 62a_100012180447_100000729493 [1,1,0,0,0,0|1,1,0]=4 4026 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [1,1,0,0,0,0|0,1,0]=3 4027 B9R0.46 CC/C=C\COC(C)CO 34a_100016268518_100012180447 [1,1,0,0,0,0|1,0,1]=4 4028 B9R0.46 CCC#CCOC(C)CO 34a_100000032950_100012180447 [1,1,0,0,0,0|1,0,1]=4 4029 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,1,0,0,0,0|2,0,0]=4 4030 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,1,0,0,0,0|2,0,0]=4 4031 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,1,0,0,0,0|1,0,0]=3 4032 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,1,0,0,0,0|1,0,0]=3 4033 B9R0.46 CCC(C)CCNCCO 2230a_100020591266_100000211926 [1,1,0,0,0,0|2,0,0]=4 4034 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [1,1,0,0,0,0|2,0,0]=4 4035 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [1,1,0,0,0,0|1,0,0]=3 4036 B9R0.46 CCC(C)NCCCCO 2230a_100000209981_100000210776 [1,1,0,0,0,0|2,0,0]=4 4037 B9R0.46 CCC(C)NCCCCO 2230a_100000750430_100000758301 [1,1,0,0,0,0|2,0,0]=4 4038 B9R0.46 CCC(C)NCCCCO 34a_100000750430_100011215416 [1,1,0,0,0,0|2,0,0]=4 4039 B9R0.46 CCC(C)OCCCCBr 34a_100011216708_100011215416 [1,1,0,0,0,0|2,0,0]=4 4040 B9R0.46 CCC(C)OCCCCCl 34a_100000210776_100011215416 [1,1,0,0,0,0|2,0,0]=4 4041 B9R0.46 CCC(C)OCCCCCl 7a_100000210776_100000758301 [1,1,0,0,0,0|2,0,0]=4 4042 B9R0.46 CCC(C)OCCCCF 34a_100011995726_100011215416 [1,1,0,0,0,0|2,0,0]=4 4043 B9R0.46 CCC(C)OCCCCF 7a_100000210228_100000729493 [1,1,0,0,0,0|2,0,0]=4 4044 B9R0.46 CCC(C)OCCCCF 7a_100011995726_100000758301 [1,1,0,0,0,0|2,0,0]=4 4045 B9R0.46 CCC(C)OCCCCI 34a_200012148704_100011215416 [1,1,0,0,0,0|2,0,0]=4 4046 B9R0.46 CCC(C)OCCCCN 34a_100000750430_100011215416 [1,1,0,0,0,0|2,0,0]=4 4047 B9R0.46 CCC(C)OCCCCO 7a_100000210228_100000210776 [1,1,0,0,0,0|1,0,0]=3 4048 B9R0.46 CCC(C)SCCCCO 62a_100000210776_100000758301 [1,1,0,0,0,0|1,1,0]=4 4049 B9R0.46 CCC(C)SCCCCO 62a_100000758301_100000210776 [1,1,0,0,0,0|1,1,0]=4 4050 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [1,1,0,0,0,0|2,0,0]=4 4051 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [1,1,0,0,0,0|2,0,0]=4 4052 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|2,0,0]=4 4053 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|2,0,0]=4 4054 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|2,0,0]=4 4055 B9R0.46 CCCCCOC(C)CF 34a_100016041109_100000718602 [1,1,0,0,0,0|2,0,0]=4 4056 B9R0.46 CCCCCOC(C)CF 7a_100016041109_100000210326 [1,1,0,0,0,0|2,0,0]=4 4057 B9R0.46 CCCCCOC(C)CN 34a_100000210904_100000718602 [1,1,0,0,0,0|2,0,0]=4 4058 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 4059 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [1,1,0,0,0,0|1,0,0]=3 4060 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [1,1,0,0,0,0|1,1,0]=4 4061 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [1,1,0,0,0,0|1,1,0]=4 4062 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [1,1,0,0,0,0|1,1,0]=4 4063 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 4064 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [1,1,0,0,0,0|2,0,0]=4 4065 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,1,0,0,0,0|2,0,0]=4 4066 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,1,0,0,0,0|1,0,1]=4 4067 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|2,0,0]=4 4068 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,1,0,0,0,0|2,0,0]=4 4069 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,1,0,0,0,0|2,0,0]=4 4070 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,1,0,0,0,0|2,0,0]=4 4071 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,1,0,0,0,0|2,0,0]=4 4072 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,1,0,0,0,0|2,0,0]=4 4073 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,1,0,0,0,0|2,0,0]=4 4074 B9R0.46 CCN(C)CCOCCO 2230a_100000225621_100011215305 [1,1,0,0,0,0|1,0,0]=3 4075 B9R0.46 CCN(C)CCOCCO 2230a_100000228057_100000210202 [1,1,0,0,0,0|1,0,0]=3 4076 B9R0.46 CCN(C)CCOCCO 269982a_100000225621_100011215305 [1,1,0,0,0,0|1,0,0]=3 4077 B9R0.46 CCN(C)CCOCCO 269982a_100000228057_100000204670 [1,1,0,0,0,0|1,0,0]=3 4078 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,1,0,0,0,0|1,0,1]=4 4079 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|2,0,0]=4 4080 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|2,0,0]=4 4081 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,1,0,0,0,0|1,0,1]=4 4082 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,1,0,0,0,0|1,0,1]=4 4083 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [1,1,0,0,0,0|2,0,0]=4 4084 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [1,1,0,0,0,0|2,0,0]=4 4085 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [1,1,0,0,0,0|2,0,0]=4 4086 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [1,1,0,0,0,0|1,0,0]=3 4087 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [1,1,0,0,0,0|1,0,0]=3 4088 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [1,1,0,0,0,0|1,0,0]=3 4089 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,1,0,0,0,0|1,0,1]=4 4090 B9R0.46 CCOCCOC(C)C#N 34a_100011218135_100000210147 [1,1,0,0,0,0|1,0,1]=4 4091 B9R0.46 CCOCCOC(C)C#N 7a_100000210136_100000703298 [1,1,0,0,0,0|1,0,1]=4 4092 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|1,0,0]=3 4093 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|1,0,0]=3 4094 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|1,0,0]=3 4095 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [1,1,0,0,0,0|1,0,0]=3 4096 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [1,1,0,0,0,0|1,0,0]=3 4097 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [1,1,0,0,0,0|1,0,0]=3 4098 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [1,1,0,0,0,0|0,0,0]=2 4099 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [1,1,0,0,0,0|0,0,0]=2 4100 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [1,1,0,0,0,0|1,1,0]=4 4101 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [1,1,0,0,0,0|1,1,0]=4 4102 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [1,1,0,0,0,0|0,1,0]=3 4103 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [1,1,0,0,0,0|0,1,0]=3 4104 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [1,1,0,0,0,0|0,1,0]=3 4105 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [1,1,0,0,0,0|2,0,0]=4 4106 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [1,1,0,0,0,0|2,0,0]=4 4107 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [1,1,0,0,0,0|2,0,0]=4 4108 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [1,1,0,0,0,0|2,0,0]=4 4109 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [1,1,0,0,0,0|2,0,0]=4 4110 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [1,1,0,0,0,0|2,0,0]=4 4111 B9R0.46 CCSCCNC(C)CO 2230a_100000106463_100012180447 [1,1,0,0,0,0|1,1,0]=4 4112 B9R0.46 CCSCCN[C@H](C)CO 2230a_100000737577_100000757381 [1,1,0,0,0,0|1,1,0]=4 4113 B9R0.46 CCSCCOC(C)CC 34a_100000212035_100011215416 [1,1,0,0,0,0|1,1,0]=4 4114 B9R0.46 CCSCCOC(C)CC 7a_100000210228_100000757381 [1,1,0,0,0,0|1,1,0]=4 4115 B9R0.46 CCSCCOC(C)CC 7a_100000212035_100000758301 [1,1,0,0,0,0|1,1,0]=4 4116 B9R0.46 CCSCCOC(C)CF 34a_100016041109_100000757381 [1,1,0,0,0,0|1,1,0]=4 4117 B9R0.46 CCSCCOC(C)CF 7a_100016041109_100000757381 [1,1,0,0,0,0|1,1,0]=4 4118 B9R0.46 CCSCCOC(C)CN 34a_100000210904_100000757381 [1,1,0,0,0,0|1,1,0]=4 4119 B9R0.46 CCSCCOC(C)CO 34a_100000212035_100012180447 [1,1,0,0,0,0|0,1,0]=3 4120 B9R0.46 CCSCCOC(C)CO 7a_100000212035_100012180447 [1,1,0,0,0,0|0,1,0]=3 4121 B9R0.46 CCSCCSC(C)CO 62a_100012180447_100000757381 [1,1,0,0,0,0|0,2,0]=4 4122 B9R0.46 CCSCCS[C@H](C)CO 62a_100000757381_100016084084 [1,1,0,0,0,0|0,2,0]=4 4123 B9R0.46 CCSCCS[C@H](C)CO 62a_100016084084_100000757381 [1,1,0,0,0,0|0,2,0]=4 4124 B9R0.46 CN(CF)CCOCCO 269982a_100000228057_100015361967 [1,1,0,0,0,0|2,0,0]=4 4125 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [1,1,0,0,0,0|2,0,0]=4 4126 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [1,1,0,0,0,0|2,0,0]=4 4127 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [1,1,0,0,0,0|2,0,0]=4 4128 B9R0.46 CNCCCOC(C)CO 34a_100000213112_100012180447 [1,1,0,0,0,0|2,0,0]=4 4129 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [1,1,0,0,0,0|2,0,0]=4 4130 B9R0.46 COCCCOC(C)CO 34a_100000740835_100012180447 [1,1,0,0,0,0|2,0,0]=4 4131 B9R0.46 CSCCCOC(C)CO 34a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 4132 B9R0.46 CSCCCOC(C)CO 7a_100000690336_100012180447 [1,1,0,0,0,0|2,0,0]=4 4133 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [1,1,0,0,0,0|2,0,0]=4 4134 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [1,1,0,0,0,0|2,0,0]=4 4135 B9R0.46 C[C@H](CO)NCCCCF 2230a_100000737577_100000729493 [1,1,0,0,0,0|2,0,0]=4 4136 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [1,1,0,0,0,0|1,0,0]=3 4137 B9R0.46 C[C@H](CO)SCCCCF 62a_100000729493_100016084084 [1,1,0,0,0,0|1,1,0]=4 4138 B9R0.46 C[C@H](CO)SCCCCF 62a_100016084084_100000729493 [1,1,0,0,0,0|1,1,0]=4 4139 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [1,1,0,0,0,0|0,1,0]=3 4140 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [1,1,0,0,0,0|0,1,0]=3 4141 B9R0.46 NC(=NO)CCOCCO 34a_100000749954_100000211926 [1,1,0,0,0,0|1,0,1]=4 4142 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [1,1,0,0,0,0|1,0,1]=4 4143 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,1,0,0,0,0|1,0,1]=4 4144 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,1,0,0,0,0|0,0,1]=3 4145 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,1,0,0,0,0|1,0,1]=4 4146 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,1,0,0,0,0|1,0,1]=4 4147 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [1,1,0,0,0,0|2,0,0]=4 4148 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [1,1,0,0,0,0|2,0,0]=4 4149 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [1,1,0,0,0,0|2,0,0]=4 4150 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [1,1,0,0,0,0|2,0,0]=4 4151 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [1,1,0,0,0,0|2,0,0]=4 4152 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [1,1,0,0,0,0|2,0,0]=4 4153 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100000210554_100011215305 [0,2,0,0,0,0|2,0,0]=4 4154 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100011229844_100000210624 [0,2,0,0,0,0|2,0,0]=4 4155 B11R0.2 CC(C)CN(C)CCOCCO 2230a_100000228057_100000210760 [0,2,0,0,0,0|2,0,0]=4 4156 B11R0.2 CC(C)CN(C)CCOCCO 2230a_100000747067_100011215305 [0,2,0,0,0,0|2,0,0]=4 4157 B11R0.2 CC(C)CN(C)CCOCCO 269982a_100000228057_100000210624 [0,2,0,0,0,0|2,0,0]=4 4158 B11R0.2 CC(C)CN(C)CCOCCO 269982a_100000747067_100011215305 [0,2,0,0,0,0|2,0,0]=4 4159 B11R0.2 CC(C)CN(C)CCOCCO 270004a_100000228057_100000210432 [0,2,0,0,0,0|2,0,0]=4 4160 B11R0.2 CC(C)C[C@H](N)CCOCCO 34a_100161151251_100000211926 [0,2,0,0,0,0|2,0,0]=4 4161 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,2,0,0,0,0|2,0,0]=4 4162 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,2,0,0,0,0|1,0,0]=3 4163 B11R0.2 CC(O)CN(C)CCCCCO 2230a_100000227577_100000746330 [0,2,0,0,0,0|2,0,0]=4 4164 B11R0.2 CC(O)CN(C)CCCCCO 2230a_100000722520_100011218427 [0,2,0,0,0,0|2,0,0]=4 4165 B11R0.2 CC(O)CN(C)CCCCCO 269982a_100000227577_100000746330 [0,2,0,0,0,0|2,0,0]=4 4166 B11R0.2 CC(O)CN(C)CCCCCO 269982a_100000722520_100011218427 [0,2,0,0,0,0|2,0,0]=4 4167 B11R0.2 CC(O)CN(C)CCOCCO 2230a_100000227577_100011215305 [0,2,0,0,0,0|1,0,0]=3 4168 B11R0.2 CC(O)CN(C)CCOCCO 2230a_100000228057_100011218427 [0,2,0,0,0,0|1,0,0]=3 4169 B11R0.2 CC(O)CN(C)CCOCCO 269982a_100000227577_100011215305 [0,2,0,0,0,0|1,0,0]=3 4170 B11R0.2 CC(O)CN(C)CCOCCO 269982a_100000228057_100011218427 [0,2,0,0,0,0|1,0,0]=3 4171 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,2,0,0,0,0|2,0,0]=4 4172 B11R0.2 CCCOCCN(C)CC(C)O 2230a_100000227577_100011215938 [0,2,0,0,0,0|2,0,0]=4 4173 B11R0.2 CCCOCCN(C)CC(C)O 269982a_100000227577_100011215938 [0,2,0,0,0,0|2,0,0]=4 4174 B11R0.2 CN(CCOCCO)CC(=O)O 269956a_100000746989_100011215305 [0,2,0,0,0,0|1,0,1]=4 4175 B11R0.2 CN(CCOCCO)CC(F)F 2230a_100000228057_100011934356 [0,2,0,0,0,0|2,0,0]=4 4176 B11R0.2 CN(CCOCCO)CC(F)F 269982a_100000228057_100011934356 [0,2,0,0,0,0|2,0,0]=4 4177 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,2,0,0,0,0|2,0,0]=4 4178 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,2,0,0,0,0|1,0,0]=3 4179 B11R0.2 C[C@@H](O)CN(C)CCCCCO 2230a_100000722520_100009817552 [0,2,0,0,0,0|2,0,0]=4 4180 B11R0.2 C[C@@H](O)CN(C)CCCCCO 269982a_100000722520_100009817552 [0,2,0,0,0,0|2,0,0]=4 4181 B11R0.2 C[C@@H](O)CN(C)CCOCCO 2230a_100000228057_100009817552 [0,2,0,0,0,0|1,0,0]=3 4182 B11R0.2 C[C@@H](O)CN(C)CCOCCO 269982a_100000228057_100009817552 [0,2,0,0,0,0|1,0,0]=3 4183 B11R0.2 O=C(CCOCCO)CC(F)F 1458a_100011229844_100011934356 [0,2,0,0,0,0|2,0,0]=4 4184 B11R0.4 C#CCC(C)OCCCCCO 34a_100000685586_100000746330 [0,2,0,0,0,0|2,0,0]=4 4185 B11R0.4 C#CCC(C)OCCCCCO 7a_100000685586_100000746330 [0,2,0,0,0,0|2,0,0]=4 4186 B11R0.4 C#CCC(C)OCCOCCC 34a_100000685586_100011215938 [0,2,0,0,0,0|2,0,0]=4 4187 B11R0.4 C#CCC(C)OCCOCCC 7a_100000685586_100011215938 [0,2,0,0,0,0|2,0,0]=4 4188 B11R0.4 C#CCC(C)OCCOCCO 34a_100000685586_100000692535 [0,2,0,0,0,0|1,0,0]=3 4189 B11R0.4 C#CCC(C)OCCOCCO 7a_100000685586_100011215305 [0,2,0,0,0,0|1,0,0]=3 4190 B11R0.4 C#CCOCCOC(C)CCO 34a_100000054580_100009893172 [0,2,0,0,0,0|1,0,1]=4 4191 B11R0.4 C#CCOCCOC(C)CCO 7a_100000054580_100009893172 [0,2,0,0,0,0|1,0,1]=4 4192 B11R0.4 C#CCOCCOC(C)COC 34a_100000054580_100000765312 [0,2,0,0,0,0|1,0,1]=4 4193 B11R0.4 C#CCOCCOC(C)COC 7a_100000054580_100000765312 [0,2,0,0,0,0|1,0,1]=4 4194 B11R0.4 C#CCOCCO[C@H](C)COC 34a_100011934205_100010402529 [0,2,0,0,0,0|1,0,1]=4 4195 B11R0.4 C/C=C/C(C)OCCOCCO 34a_200102604097_100000692535 [0,2,0,0,0,0|1,0,1]=4 4196 B11R0.4 C=CCOCCOC(C)CCO 34a_100000037705_100009893172 [0,2,0,0,0,0|1,0,1]=4 4197 B11R0.4 C=CCOCCOC(C)CCO 7a_100000037705_100009893172 [0,2,0,0,0,0|1,0,1]=4 4198 B11R0.4 C=CCOCCOC(C)COC 34a_100000037705_100000765312 [0,2,0,0,0,0|1,0,1]=4 4199 B11R0.4 C=CCOCCOC(C)COC 7a_100000037705_100000765312 [0,2,0,0,0,0|1,0,1]=4 4200 B11R0.4 C=CC[C@@H](C)OCCCCCO 34a_100000731007_100000746330 [0,2,0,0,0,0|2,0,0]=4 4201 B11R0.4 C=CC[C@@H](C)OCCCCCO 7a_100000731007_100000746330 [0,2,0,0,0,0|2,0,0]=4 4202 B11R0.4 C=CC[C@@H](C)OCCOCCC 34a_100000731007_100011215938 [0,2,0,0,0,0|2,0,0]=4 4203 B11R0.4 C=CC[C@@H](C)OCCOCCC 7a_100000731007_100011215938 [0,2,0,0,0,0|2,0,0]=4 4204 B11R0.4 C=CC[C@@H](C)OCCOCCO 34a_100000731007_100000692535 [0,2,0,0,0,0|1,0,0]=3 4205 B11R0.4 C=CC[C@@H](C)OCCOCCO 7a_100000731007_100011215305 [0,2,0,0,0,0|1,0,0]=3 4206 B11R0.4 CC#CC(C)OCCOCCO 34a_100011216543_100000692535 [0,2,0,0,0,0|1,0,1]=4 4207 B11R0.4 CC(CC#N)NCCOCCO 2230a_100000211614_100009813641 [0,2,0,0,0,0|2,0,0]=4 4208 B11R0.4 CC(CC#N)OCCOCCBr 7a_100000692535_100009813641 [0,2,0,0,0,0|2,0,0]=4 4209 B11R0.4 CC(CC#N)OCCOCCCl 7a_100011215305_100009813641 [0,2,0,0,0,0|2,0,0]=4 4210 B11R0.4 CC(CC#N)OCCOCCF 7a_200015357709_100009813641 [0,2,0,0,0,0|2,0,0]=4 4211 B11R0.4 CC(CC#N)OCCOCCI 7a_100012149058_100009813641 [0,2,0,0,0,0|2,0,0]=4 4212 B11R0.4 CC(CC#N)SCCOCCO 62a_100009813641_100011215305 [0,2,0,0,0,0|1,1,0]=4 4213 B11R0.4 CC(CC#N)SCCOCCO 62a_100011215305_100009813641 [0,2,0,0,0,0|1,1,0]=4 4214 B11R0.4 CC(CCBr)OCCCCCO 34a_100012276601_100000746330 [0,2,0,0,0,0|2,0,0]=4 4215 B11R0.4 CC(CCBr)OCCOCCO 34a_100012276601_100000692535 [0,2,0,0,0,0|1,0,0]=3 4216 B11R0.4 CC(CCO)NCCCCCO 2230a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 4217 B11R0.4 CC(CCO)NCCCCCO 34a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 4218 B11R0.4 CC(CCO)NCCOCCO 2230a_100000211614_100009893172 [0,2,0,0,0,0|1,0,0]=3 4219 B11R0.4 CC(CCO)NCCOCCO 34a_100000211614_100009893172 [0,2,0,0,0,0|1,0,0]=3 4220 B11R0.4 CC(CCO)NCCSCCO 2230a_100011219999_100009893172 [0,2,0,0,0,0|1,1,0]=4 4221 B11R0.4 CC(CCO)OCCCCCBr 34a_100000746331_100009893172 [0,2,0,0,0,0|2,0,0]=4 4222 B11R0.4 CC(CCO)OCCCCCBr 7a_100000746331_100009893172 [0,2,0,0,0,0|2,0,0]=4 4223 B11R0.4 CC(CCO)OCCCCCCl 34a_100000746330_100009893172 [0,2,0,0,0,0|2,0,0]=4 4224 B11R0.4 CC(CCO)OCCCCCCl 7a_100000746330_100009893172 [0,2,0,0,0,0|2,0,0]=4 4225 B11R0.4 CC(CCO)OCCCCCI 34a_200012148887_100009893172 [0,2,0,0,0,0|2,0,0]=4 4226 B11R0.4 CC(CCO)OCCCCCI 7a_200012148887_100009893172 [0,2,0,0,0,0|2,0,0]=4 4227 B11R0.4 CC(CCO)OCCCCCN 34a_100000762737_100009893172 [0,2,0,0,0,0|2,0,0]=4 4228 B11R0.4 CC(CCO)OCCOCCBr 34a_100000692535_100009893172 [0,2,0,0,0,0|1,0,0]=3 4229 B11R0.4 CC(CCO)OCCOCCBr 7a_100000692535_100009893172 [0,2,0,0,0,0|1,0,0]=3 4230 B11R0.4 CC(CCO)OCCOCCCl 34a_100011215305_100009893172 [0,2,0,0,0,0|1,0,0]=3 4231 B11R0.4 CC(CCO)OCCOCCCl 7a_100011215305_100009893172 [0,2,0,0,0,0|1,0,0]=3 4232 B11R0.4 CC(CCO)OCCOCCF 34a_200015357709_100009893172 [0,2,0,0,0,0|1,0,0]=3 4233 B11R0.4 CC(CCO)OCCOCCF 7a_200015357709_100009893172 [0,2,0,0,0,0|1,0,0]=3 4234 B11R0.4 CC(CCO)OCCOCCI 34a_100012149058_100009893172 [0,2,0,0,0,0|1,0,0]=3 4235 B11R0.4 CC(CCO)OCCOCCI 7a_100012149058_100009893172 [0,2,0,0,0,0|1,0,0]=3 4236 B11R0.4 CC(CCO)OCCOCCN 34a_100000211614_100009893172 [0,2,0,0,0,0|1,0,0]=3 4237 B11R0.4 CC(CCO)SCCCCCO 62a_100000746330_100009893172 [0,2,0,0,0,0|1,1,0]=4 4238 B11R0.4 CC(CCO)SCCCCCO 62a_100009893172_100000746330 [0,2,0,0,0,0|1,1,0]=4 4239 B11R0.4 CC(CCO)SCCOCCO 62a_100009893172_100011215305 [0,2,0,0,0,0|0,1,0]=3 4240 B11R0.4 CC(CCO)SCCOCCO 62a_100011215305_100009893172 [0,2,0,0,0,0|0,1,0]=3 4241 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,2,0,0,0,0|2,0,0]=4 4242 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,2,0,0,0,0|2,0,0]=4 4243 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,2,0,0,0,0|2,0,0]=4 4244 B11R0.4 CCCC(C)CCCOCCO 34a_100011713154_100000211926 [0,2,0,0,0,0|2,0,0]=4 4245 B11R0.4 CCCC(C)CCCOCCO 7a_100011713154_100000211926 [0,2,0,0,0,0|2,0,0]=4 4246 B11R0.4 CCCC(C)CCOCCCO 34a_100011217855_100000230001 [0,2,0,0,0,0|2,0,0]=4 4247 B11R0.4 CCCC(C)CCOCCCO 7a_100011217855_100011215043 [0,2,0,0,0,0|2,0,0]=4 4248 B11R0.4 CCCC(C)CCOCCOC 34a_100011217855_100011201679 [0,2,0,0,0,0|2,0,0]=4 4249 B11R0.4 CCCC(C)CCOCCOC 7a_100011217855_100000233755 [0,2,0,0,0,0|2,0,0]=4 4250 B11R0.4 CCCC(C)NCCOCCO 2230a_100000211614_100000766640 [0,2,0,0,0,0|2,0,0]=4 4251 B11R0.4 CCCC(C)NCCOCCO 2230a_100000741246_100011215305 [0,2,0,0,0,0|2,0,0]=4 4252 B11R0.4 CCCC(C)NCCOCCO 270004a_100000211614_100000211909 [0,2,0,0,0,0|2,0,0]=4 4253 B11R0.4 CCCC(C)NCCOCCO 34a_100000211614_100000766640 [0,2,0,0,0,0|2,0,0]=4 4254 B11R0.4 CCCC(C)OCCCCCO 34a_100000764384_100000746330 [0,2,0,0,0,0|2,0,0]=4 4255 B11R0.4 CCCC(C)OCCCCCO 7a_100000764384_100000746330 [0,2,0,0,0,0|2,0,0]=4 4256 B11R0.4 CCCC(C)OCCOCCBr 34a_100000692535_100000766640 [0,2,0,0,0,0|2,0,0]=4 4257 B11R0.4 CCCC(C)OCCOCCBr 7a_100000692535_100000766640 [0,2,0,0,0,0|2,0,0]=4 4258 B11R0.4 CCCC(C)OCCOCCCl 34a_100011215305_100000766640 [0,2,0,0,0,0|2,0,0]=4 4259 B11R0.4 CCCC(C)OCCOCCCl 7a_100011215305_100000766640 [0,2,0,0,0,0|2,0,0]=4 4260 B11R0.4 CCCC(C)OCCOCCF 34a_200015357709_100000766640 [0,2,0,0,0,0|2,0,0]=4 4261 B11R0.4 CCCC(C)OCCOCCF 7a_200015357709_100000766640 [0,2,0,0,0,0|2,0,0]=4 4262 B11R0.4 CCCC(C)OCCOCCI 34a_100012149058_100000766640 [0,2,0,0,0,0|2,0,0]=4 4263 B11R0.4 CCCC(C)OCCOCCI 7a_100012149058_100000766640 [0,2,0,0,0,0|2,0,0]=4 4264 B11R0.4 CCCC(C)OCCOCCN 34a_100000211614_100000766640 [0,2,0,0,0,0|2,0,0]=4 4265 B11R0.4 CCCC(C)OCCOCCO 34a_100000764384_100000692535 [0,2,0,0,0,0|1,0,0]=3 4266 B11R0.4 CCCC(C)OCCOCCO 7a_100000764384_100011215305 [0,2,0,0,0,0|1,0,0]=3 4267 B11R0.4 CCCC(C)SCCOCCO 62a_100000766640_100011215305 [0,2,0,0,0,0|1,1,0]=4 4268 B11R0.4 CCCC(C)SCCOCCO 62a_100011215305_100000766640 [0,2,0,0,0,0|1,1,0]=4 4269 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,2,0,0,0,0|2,0,0]=4 4270 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,2,0,0,0,0|2,0,0]=4 4271 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,2,0,0,0,0|2,0,0]=4 4272 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,2,0,0,0,0|2,0,0]=4 4273 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,2,0,0,0,0|2,0,0]=4 4274 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,2,0,0,0,0|2,0,0]=4 4275 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,2,0,0,0,0|2,0,0]=4 4276 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,2,0,0,0,0|2,0,0]=4 4277 B11R0.4 CCCN(C)CCOCCOC 2230a_100000747261_100000695917 [0,2,0,0,0,0|2,0,0]=4 4278 B11R0.4 CCCN(C)CCOCCOC 269982a_100000747261_100000695917 [0,2,0,0,0,0|2,0,0]=4 4279 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,2,0,0,0,0|2,0,0]=4 4280 B11R0.4 CCCOCCNC(C)CCO 2230a_100161115042_100009893172 [0,2,0,0,0,0|2,0,0]=4 4281 B11R0.4 CCCOCCNC(C)CCO 34a_100161115042_100009893172 [0,2,0,0,0,0|2,0,0]=4 4282 B11R0.4 CCCOCCNC(C)COC 2230a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 4283 B11R0.4 CCCOCCNC(C)COC 270004a_100161115042_100000749346 [0,2,0,0,0,0|2,0,0]=4 4284 B11R0.4 CCCOCCNC(C)COC 34a_100161115042_100000765312 [0,2,0,0,0,0|2,0,0]=4 4285 B11R0.4 CCCOCCN[C@H](C)CCO 2230a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 4286 B11R0.4 CCCOCCN[C@H](C)CCO 34a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 4287 B11R0.4 CCCOCCN[C@H](C)COC 2230a_100000764878_100011215938 [0,2,0,0,0,0|2,0,0]=4 4288 B11R0.4 CCCOCCOC(C)CC#N 7a_100000752267_100009813641 [0,2,0,0,0,0|2,0,0]=4 4289 B11R0.4 CCCOCCOC(C)CCBr 34a_100012276601_100011215938 [0,2,0,0,0,0|2,0,0]=4 4290 B11R0.4 CCCOCCOC(C)CCC 34a_100000752267_100000766640 [0,2,0,0,0,0|2,0,0]=4 4291 B11R0.4 CCCOCCOC(C)CCC 34a_100000764384_100011215938 [0,2,0,0,0,0|2,0,0]=4 4292 B11R0.4 CCCOCCOC(C)CCC 7a_100000752267_100000766640 [0,2,0,0,0,0|2,0,0]=4 4293 B11R0.4 CCCOCCOC(C)CCC 7a_100000764384_100011215938 [0,2,0,0,0,0|2,0,0]=4 4294 B11R0.4 CCCOCCOC(C)CCO 34a_100000752267_100009893172 [0,2,0,0,0,0|1,0,0]=3 4295 B11R0.4 CCCOCCOC(C)CCO 7a_100000752267_100009893172 [0,2,0,0,0,0|1,0,0]=3 4296 B11R0.4 CCCOCCOC(C)COC 34a_100000752267_100000765312 [0,2,0,0,0,0|1,0,0]=3 4297 B11R0.4 CCCOCCOC(C)COC 7a_100000752267_100000765312 [0,2,0,0,0,0|1,0,0]=3 4298 B11R0.4 CCCOCCO[C@H](C)COC 34a_100011934205_100011215938 [0,2,0,0,0,0|1,0,0]=3 4299 B11R0.4 CCCOCCSC(C)CCO 62a_100009893172_100011215938 [0,2,0,0,0,0|1,1,0]=4 4300 B11R0.4 CCCOCCSC(C)CCO 62a_100011215938_100009893172 [0,2,0,0,0,0|1,1,0]=4 4301 B11R0.4 CCCOCCSC(C)COC 62a_100000765312_100011215938 [0,2,0,0,0,0|1,1,0]=4 4302 B11R0.4 CCCOCCSC(C)COC 62a_100011215938_100000765312 [0,2,0,0,0,0|1,1,0]=4 4303 B11R0.4 CCCSCCOC(C)CCO 34a_200000230433_100009893172 [0,2,0,0,0,0|1,1,0]=4 4304 B11R0.4 CCCSCCOC(C)CCO 7a_200000230433_100009893172 [0,2,0,0,0,0|1,1,0]=4 4305 B11R0.4 CCCSCCOC(C)COC 34a_200000230433_100000765312 [0,2,0,0,0,0|1,1,0]=4 4306 B11R0.4 CCCSCCOC(C)COC 7a_200000230433_100000765312 [0,2,0,0,0,0|1,1,0]=4 4307 B11R0.4 CCC[C@H](N)CCOCCCO 34a_100015193777_100000230001 [0,2,0,0,0,0|2,0,0]=4 4308 B11R0.4 CCC[C@H](N)CCOCCOC 34a_100015193777_100011201679 [0,2,0,0,0,0|2,0,0]=4 4309 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,2,0,0,0,0|2,0,0]=4 4310 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,2,0,0,0,0|2,0,0]=4 4311 B11R0.4 COCC(=O)NCCOCCO 240690a_100000211614_100000210968 [0,2,0,0,0,0|1,0,1]=4 4312 B11R0.4 COCC(C)NCCCCCO 2230a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 4313 B11R0.4 COCC(C)NCCCCCO 270004a_100000762737_100000749346 [0,2,0,0,0,0|2,0,0]=4 4314 B11R0.4 COCC(C)NCCCCCO 34a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 4315 B11R0.4 COCC(C)NCCOCCO 2230a_100000211614_100000765312 [0,2,0,0,0,0|1,0,0]=3 4316 B11R0.4 COCC(C)NCCOCCO 270004a_100000211614_100000749346 [0,2,0,0,0,0|1,0,0]=3 4317 B11R0.4 COCC(C)NCCOCCO 34a_100000211614_100000765312 [0,2,0,0,0,0|1,0,0]=3 4318 B11R0.4 COCC(C)NCCSCCO 2230a_100011219999_100000765312 [0,2,0,0,0,0|1,1,0]=4 4319 B11R0.4 COCC(C)NCCSCCO 270004a_100011219999_100000749346 [0,2,0,0,0,0|1,1,0]=4 4320 B11R0.4 COCC(C)OCCCCCBr 34a_100000746331_100000765312 [0,2,0,0,0,0|2,0,0]=4 4321 B11R0.4 COCC(C)OCCCCCBr 7a_100000746331_100000765312 [0,2,0,0,0,0|2,0,0]=4 4322 B11R0.4 COCC(C)OCCCCCCl 34a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 4323 B11R0.4 COCC(C)OCCCCCCl 7a_100000746330_100000765312 [0,2,0,0,0,0|2,0,0]=4 4324 B11R0.4 COCC(C)OCCCCCI 34a_200012148887_100000765312 [0,2,0,0,0,0|2,0,0]=4 4325 B11R0.4 COCC(C)OCCCCCI 7a_200012148887_100000765312 [0,2,0,0,0,0|2,0,0]=4 4326 B11R0.4 COCC(C)OCCCCCN 34a_100000762737_100000765312 [0,2,0,0,0,0|2,0,0]=4 4327 B11R0.4 COCC(C)OCCOCCBr 34a_100000692535_100000765312 [0,2,0,0,0,0|1,0,0]=3 4328 B11R0.4 COCC(C)OCCOCCBr 7a_100000692535_100000765312 [0,2,0,0,0,0|1,0,0]=3 4329 B11R0.4 COCC(C)OCCOCCCl 34a_100011215305_100000765312 [0,2,0,0,0,0|1,0,0]=3 4330 B11R0.4 COCC(C)OCCOCCCl 7a_100011215305_100000765312 [0,2,0,0,0,0|1,0,0]=3 4331 B11R0.4 COCC(C)OCCOCCF 34a_200015357709_100000765312 [0,2,0,0,0,0|1,0,0]=3 4332 B11R0.4 COCC(C)OCCOCCF 7a_200015357709_100000765312 [0,2,0,0,0,0|1,0,0]=3 4333 B11R0.4 COCC(C)OCCOCCI 34a_100012149058_100000765312 [0,2,0,0,0,0|1,0,0]=3 4334 B11R0.4 COCC(C)OCCOCCI 7a_100012149058_100000765312 [0,2,0,0,0,0|1,0,0]=3 4335 B11R0.4 COCC(C)OCCOCCN 34a_100000211614_100000765312 [0,2,0,0,0,0|1,0,0]=3 4336 B11R0.4 COCC(C)SCCCCCO 62a_100000746330_100000765312 [0,2,0,0,0,0|1,1,0]=4 4337 B11R0.4 COCC(C)SCCCCCO 62a_100000765312_100000746330 [0,2,0,0,0,0|1,1,0]=4 4338 B11R0.4 COCC(C)SCCOCCO 62a_100000765312_100011215305 [0,2,0,0,0,0|0,1,0]=3 4339 B11R0.4 COCC(C)SCCOCCO 62a_100011215305_100000765312 [0,2,0,0,0,0|0,1,0]=3 4340 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|2,0,0]=4 4341 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,2,0,0,0,0|2,0,0]=4 4342 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,2,0,0,0,0|1,0,0]=3 4343 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,2,0,0,0,0|1,0,0]=3 4344 B11R0.4 COCCOCCN(C)CCO 2230a_100000210263_100000695917 [0,2,0,0,0,0|1,0,0]=3 4345 B11R0.4 COCCOCCN(C)CCO 269982a_100000210263_100000695917 [0,2,0,0,0,0|1,0,0]=3 4346 B11R0.4 COCCOCN[C@H](C)CCO 2230a_100000706166_100000231047 [0,2,0,0,0,0|2,0,0]=4 4347 B11R0.4 COCCOCSC(C)CCO 62a_100000231047_100009893172 [0,2,0,0,0,0|2,0,0]=4 4348 B11R0.4 COCCOCSC(C)CCO 62a_100009893172_100000231047 [0,2,0,0,0,0|2,0,0]=4 4349 B11R0.4 COC[C@@H](C)NCCCCCO 2230a_100000764878_100000746330 [0,2,0,0,0,0|2,0,0]=4 4350 B11R0.4 COC[C@@H](C)NCCOCCO 2230a_100000764878_100011215305 [0,2,0,0,0,0|1,0,0]=3 4351 B11R0.4 COC[C@@H](C)OCCCCCF 34a_100011934205_100000729378 [0,2,0,0,0,0|2,0,0]=4 4352 B11R0.4 COC[C@@H](C)OCCCCCO 34a_100011934205_100000746330 [0,2,0,0,0,0|1,0,0]=3 4353 B11R0.4 COC[C@@H](C)OCCOCCO 34a_100011934205_100000692535 [0,2,0,0,0,0|0,0,0]=2 4354 B11R0.4 CSCC(C)NCCOCCO 270004a_100000211614_100011216314 [0,2,0,0,0,0|1,1,0]=4 4355 B11R0.4 C[C@@H](CC#N)NCCOCCO 2230a_100016994482_100011215305 [0,2,0,0,0,0|2,0,0]=4 4356 B11R0.4 C[C@H](CCO)NCCCCCO 2230a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 4357 B11R0.4 C[C@H](CCO)NCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 4358 B11R0.4 C[C@H](CCO)NCCOCCO 2230a_100000706166_100011215305 [0,2,0,0,0,0|1,0,0]=3 4359 B11R0.4 C[C@H](CCO)NCCOCCO 34a_100000706166_100000692535 [0,2,0,0,0,0|1,0,0]=3 4360 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|2,0,0]=4 4361 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|2,0,0]=4 4362 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,2,0,0,0,0|2,0,0]=4 4363 B11R0.4 O=C(CCO)NCCOCCO 240690a_100000211614_100011216618 [0,2,0,0,0,0|1,0,0]=3 4364 B11R0.4 O=C(CCO)NCCSCCO 240690a_100011219999_100011216618 [0,2,0,0,0,0|1,1,0]=4 4365 B11R0.81 C#CCCC(=O)CCOCCO 1458a_100000692101_100011215305 [0,2,0,0,0,0|2,0,0]=4 4366 B11R0.81 C#CCCC(=O)CCOCCO 1458a_100011229844_100000753159 [0,2,0,0,0,0|2,0,0]=4 4367 B11R0.81 C#CCCC(=O)CCOCCO 34a_100011064465_100000211926 [0,2,0,0,0,0|2,0,0]=4 4368 B11R0.81 C#CCCC(=O)CCOCCO 7a_100011064465_100000211926 [0,2,0,0,0,0|2,0,0]=4 4369 B11R0.81 C#CCCN(C)CCOCCO 2230a_100000228057_100000688953 [0,2,0,0,0,0|2,0,0]=4 4370 B11R0.81 C#CCCN(C)CCOCCO 269982a_100000228057_100000730999 [0,2,0,0,0,0|2,0,0]=4 4371 B11R0.81 C#CCOC(C)COCCCO 34a_200000093152_100000230001 [0,2,0,0,0,0|1,0,1]=4 4372 B11R0.81 C#CCOC(C)COCCCO 7a_200000093152_100011215043 [0,2,0,0,0,0|1,0,1]=4 4373 B11R0.81 C#CCOC(C)COCCOC 34a_200000093152_100011201679 [0,2,0,0,0,0|1,0,1]=4 4374 B11R0.81 C#CCOC(C)COCCOC 7a_200000093152_100000233755 [0,2,0,0,0,0|1,0,1]=4 4375 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100000749702_100011215305 [0,2,0,0,0,0|2,0,0]=4 4376 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100011229844_100000754431 [0,2,0,0,0,0|2,0,0]=4 4377 B11R0.81 C=CCCN(C)CCOCCO 2230a_100000228057_100000754431 [0,2,0,0,0,0|2,0,0]=4 4378 B11R0.81 C=CCCN(C)CCOCCO 2230a_100020639649_100011215305 [0,2,0,0,0,0|2,0,0]=4 4379 B11R0.81 C=CCCN(C)CCOCCO 269982a_100000228057_100000754431 [0,2,0,0,0,0|2,0,0]=4 4380 B11R0.81 C=CCCN(C)CCOCCO 269982a_100020639649_100011215305 [0,2,0,0,0,0|2,0,0]=4 4381 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,2,0,0,0,0|2,0,0]=4 4382 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,2,0,0,0,0|2,0,0]=4 4383 B11R0.81 CCCCC(C)COCCCO 34a_100011995851_100000230001 [0,2,0,0,0,0|2,0,0]=4 4384 B11R0.81 CCCCC(C)COCCCO 7a_100011995851_100011215043 [0,2,0,0,0,0|2,0,0]=4 4385 B11R0.81 CCCCC(C)COCCOC 34a_100011995851_100011201679 [0,2,0,0,0,0|2,0,0]=4 4386 B11R0.81 CCCCC(C)COCCOC 7a_100011995851_100000233755 [0,2,0,0,0,0|2,0,0]=4 4387 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|2,0,0]=4 4388 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|2,0,0]=4 4389 B11R0.81 CCCCN(C)CCOCCO 2230a_100000207549_100011215305 [0,2,0,0,0,0|2,0,0]=4 4390 B11R0.81 CCCCN(C)CCOCCO 2230a_100000228057_100000210211 [0,2,0,0,0,0|2,0,0]=4 4391 B11R0.81 CCCCN(C)CCOCCO 269982a_100000207549_100011215305 [0,2,0,0,0,0|2,0,0]=4 4392 B11R0.81 CCCCN(C)CCOCCO 269982a_100000228057_100000210211 [0,2,0,0,0,0|2,0,0]=4 4393 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [0,2,0,0,0,0|2,0,0]=4 4394 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [0,2,0,0,0,0|2,0,0]=4 4395 B11R0.81 CCCCOCC(C)OCCF 34a_100011217071_100011217306 [0,2,0,0,0,0|2,0,0]=4 4396 B11R0.81 CCCCOCC(C)OCCF 7a_100011217071_100011217306 [0,2,0,0,0,0|2,0,0]=4 4397 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,2,0,0,0,0|1,0,0]=3 4398 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,2,0,0,0,0|1,0,0]=3 4399 B11R0.81 CCCC[C@H](N)COCCCO 34a_100011934283_100000230001 [0,2,0,0,0,0|2,0,0]=4 4400 B11R0.81 CCCC[C@H](N)COCCOC 34a_100011934283_100011201679 [0,2,0,0,0,0|2,0,0]=4 4401 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,2,0,0,0,0|2,0,0]=4 4402 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,2,0,0,0,0|2,0,0]=4 4403 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,2,0,0,0,0|1,0,1]=4 4404 B11R0.81 CCCOC(=O)COCCON 34a_100000700252_200011215008 [0,2,0,0,0,0|1,0,1]=4 4405 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [0,2,0,0,0,0|2,0,0]=4 4406 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [0,2,0,0,0,0|2,0,0]=4 4407 B11R0.81 CCCOC(C)CNCCOC 2230a_100015185124_100011201679 [0,2,0,0,0,0|2,0,0]=4 4408 B11R0.81 CCCOC(C)CNCCOC 34a_100015185124_100011201679 [0,2,0,0,0,0|2,0,0]=4 4409 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,2,0,0,0,0|2,0,0]=4 4410 B11R0.81 CCCOCCN(C)CCCO 2230a_100000213112_100011215938 [0,2,0,0,0,0|2,0,0]=4 4411 B11R0.81 CCCOCCN(C)CCCO 269982a_100000213112_100011215938 [0,2,0,0,0,0|2,0,0]=4 4412 B11R0.81 CCCOCCN(C)CCOC 2230a_100000743101_100011215938 [0,2,0,0,0,0|2,0,0]=4 4413 B11R0.81 CCCOCCN(C)CCOC 269982a_100000743101_100011215938 [0,2,0,0,0,0|2,0,0]=4 4414 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,2,0,0,0,0|2,0,0]=4 4415 B11R0.81 CCOCN(C)CCOCCO 269982a_100000228057_100000739092 [0,2,0,0,0,0|2,0,0]=4 4416 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,2,0,0,0,0|2,0,0]=4 4417 B11R0.81 CN(CCC#N)CCOCCO 2230a_100000184479_100011215305 [0,2,0,0,0,0|2,0,0]=4 4418 B11R0.81 CN(CCC#N)CCOCCO 2230a_100000228057_100011215226 [0,2,0,0,0,0|2,0,0]=4 4419 B11R0.81 CN(CCC#N)CCOCCO 269982a_100000228057_100011215226 [0,2,0,0,0,0|2,0,0]=4 4420 B11R0.81 CN(CCCF)CCOCCO 2230a_100000228057_100011934791 [0,2,0,0,0,0|2,0,0]=4 4421 B11R0.81 CN(CCCF)CCOCCO 269982a_100000228057_100011934791 [0,2,0,0,0,0|2,0,0]=4 4422 B11R0.81 CN(CCCO)CCCCCO 2230a_100000213112_100000746330 [0,2,0,0,0,0|2,0,0]=4 4423 B11R0.81 CN(CCCO)CCCCCO 2230a_100000722520_100000230001 [0,2,0,0,0,0|2,0,0]=4 4424 B11R0.81 CN(CCCO)CCCCCO 269982a_100000213112_100000746330 [0,2,0,0,0,0|2,0,0]=4 4425 B11R0.81 CN(CCCO)CCCCCO 269982a_100000722520_100011215043 [0,2,0,0,0,0|2,0,0]=4 4426 B11R0.81 CN(CCCO)CCOCCO 2230a_100000213112_100011215305 [0,2,0,0,0,0|1,0,0]=3 4427 B11R0.81 CN(CCCO)CCOCCO 2230a_100000228057_100000230001 [0,2,0,0,0,0|1,0,0]=3 4428 B11R0.81 CN(CCCO)CCOCCO 269982a_100000213112_100011215305 [0,2,0,0,0,0|1,0,0]=3 4429 B11R0.81 CN(CCCO)CCOCCO 269982a_100000228057_100011215043 [0,2,0,0,0,0|1,0,0]=3 4430 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,2,0,0,0,0|2,0,0]=4 4431 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,2,0,0,0,0|2,0,0]=4 4432 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,2,0,0,0,0|1,0,0]=3 4433 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,2,0,0,0,0|1,0,0]=3 4434 B11R0.81 COCCN(C)CCCCCO 2230a_100000722520_100011201679 [0,2,0,0,0,0|2,0,0]=4 4435 B11R0.81 COCCN(C)CCCCCO 2230a_100000743101_100000746330 [0,2,0,0,0,0|2,0,0]=4 4436 B11R0.81 COCCN(C)CCCCCO 269982a_100000722520_100000233755 [0,2,0,0,0,0|2,0,0]=4 4437 B11R0.81 COCCN(C)CCCCCO 269982a_100000743101_100000746330 [0,2,0,0,0,0|2,0,0]=4 4438 B11R0.81 COCCN(C)CCOCCO 2230a_100000228057_100011201679 [0,2,0,0,0,0|1,0,0]=3 4439 B11R0.81 COCCN(C)CCOCCO 2230a_100000743101_100011215305 [0,2,0,0,0,0|1,0,0]=3 4440 B11R0.81 COCCN(C)CCOCCO 269982a_100000228057_100000233755 [0,2,0,0,0,0|1,0,0]=3 4441 B11R0.81 COCCN(C)CCOCCO 269982a_100000743101_100011215305 [0,2,0,0,0,0|1,0,0]=3 4442 B11R0.81 COCCNC[C@H](C)CCCO 2230a_100160569302_100011201679 [0,2,0,0,0,0|2,0,0]=4 4443 B11R0.81 COCCNC[C@H](C)CCCO 34a_100160569302_100011201679 [0,2,0,0,0,0|2,0,0]=4 4444 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,2,0,0,0,0|1,0,1]=4 4445 B11R0.81 COCCOCC(=O)NCCO 240690a_100000210304_100000211095 [0,2,0,0,0,0|1,0,1]=4 4446 B11R0.81 COCCOCC(=O)NCCO 527a_100000210304_100000211095 [0,2,0,0,0,0|1,0,1]=4 4447 B11R0.81 COCCOCN(C)CCCO 2230a_100000213112_100000231047 [0,2,0,0,0,0|2,0,0]=4 4448 B11R0.81 COCCOCN(C)CCCO 269982a_100000213112_100000231047 [0,2,0,0,0,0|2,0,0]=4 4449 B11R0.81 COCCOC[C@@H](C)OCOC 34a_100016172286_100011201679 [0,2,0,0,0,0|2,0,0]=4 4450 B11R0.81 COCCOC[C@@H](C)OCOC 7a_100016172286_100000233755 [0,2,0,0,0,0|2,0,0]=4 4451 B11R0.81 COCO[C@H](C)COCCCO 34a_100016172286_100000230001 [0,2,0,0,0,0|2,0,0]=4 4452 B11R0.81 COCO[C@H](C)COCCCO 7a_100016172286_100011215043 [0,2,0,0,0,0|2,0,0]=4 4453 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,2,0,0,0,0|1,1,0]=4 4454 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,2,0,0,0,0|1,1,0]=4 4455 B11R0.81 CSCCN(C)CCOCCO 2230a_100000228057_100000751147 [0,2,0,0,0,0|1,1,0]=4 4456 B11R0.81 CSCCN(C)CCOCCO 2230a_100000686725_100011215305 [0,2,0,0,0,0|1,1,0]=4 4457 B11R0.81 CSCCN(C)CCOCCO 269982a_100000228057_100000212216 [0,2,0,0,0,0|1,1,0]=4 4458 B11R0.81 CSCCN(C)CCOCCO 269982a_100000686725_100011215305 [0,2,0,0,0,0|1,1,0]=4 4459 B11R0.81 C[C@H](CCCO)CNCCCO 2230a_100160569302_100000230001 [0,2,0,0,0,0|2,0,0]=4 4460 B11R0.81 C[C@H](CCCO)CNCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|2,0,0]=4 4461 B11R0.81 N#CCCC(=O)CCOCCO 1458a_100011229844_100011215226 [0,2,0,0,0,0|2,0,0]=4 4462 B11R0.81 N#CCCC(=O)CCOCCO 1458a_100011934036_100011215305 [0,2,0,0,0,0|2,0,0]=4 4463 B11R0.81 O=C(C#CCO)CCOCCO 1458a_100000049017_100011215305 [0,2,0,0,0,0|1,0,1]=4 4464 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,2,0,0,0,0|2,0,0]=4 4465 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,2,0,0,0,0|2,0,0]=4 4466 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,2,0,0,0,0|2,0,0]=4 4467 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,2,0,0,0,0|1,0,0]=3 4468 B11R0.81 O=C(CCOCCO)NCCF 1626a_100000724931_100011229844 [0,2,0,0,0,0|2,0,0]=4 4469 B11R0.81 O=C(CCOCCO)NCCF 240690a_100000724931_100011229844 [0,2,0,0,0,0|2,0,0]=4 4470 B11R0.81 O=C(CCOCCO)NCCO 240690a_100000210304_100011229844 [0,2,0,0,0,0|1,0,0]=3 4471 B11R0.142 CC(CO)N(C)CCCCCO 2230a_100000693034_100000746330 [0,2,0,0,0,0|2,0,0]=4 4472 B11R0.142 CC(CO)N(C)CCCCCO 2230a_100000722520_100012180447 [0,2,0,0,0,0|2,0,0]=4 4473 B11R0.142 CC(CO)N(C)CCCCCO 269982a_100000693034_100000746330 [0,2,0,0,0,0|2,0,0]=4 4474 B11R0.142 CC(CO)N(C)CCOCCO 2230a_100000228057_100012180447 [0,2,0,0,0,0|1,0,0]=3 4475 B11R0.142 CC(CO)N(C)CCOCCO 2230a_100000693034_100011215305 [0,2,0,0,0,0|1,0,0]=3 4476 B11R0.142 CC(CO)N(C)CCOCCO 269982a_100000693034_100011215305 [0,2,0,0,0,0|1,0,0]=3 4477 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011192722_100011215305 [0,2,0,0,0,0|2,0,0]=4 4478 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011229844_100000758301 [0,2,0,0,0,0|2,0,0]=4 4479 B11R0.142 CCC(C)N(C)CCOCCO 2230a_100000228057_100000758301 [0,2,0,0,0,0|2,0,0]=4 4480 B11R0.142 CCC(C)N(C)CCOCCO 2230a_100000741768_100011215305 [0,2,0,0,0,0|2,0,0]=4 4481 B11R0.142 CCC(C)N(C)CCOCCO 269982a_100000228057_100000758301 [0,2,0,0,0,0|2,0,0]=4 4482 B11R0.142 CCC(C)N(C)CCOCCO 269982a_100000741768_100011215305 [0,2,0,0,0,0|2,0,0]=4 4483 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,2,0,0,0,0|2,0,0]=4 4484 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,2,0,0,0,0|2,0,0]=4 4485 B11R0.142 CCCOCCN(C)C(C)CO 2230a_100000693034_100011215938 [0,2,0,0,0,0|2,0,0]=4 4486 B11R0.142 CCCOCCN(C)C(C)CO 269982a_100000693034_100011215938 [0,2,0,0,0,0|2,0,0]=4 4487 B11R0.142 CN(CCOCCO)C(=O)CO 240690a_100000228057_100000210174 [0,2,0,0,0,0|1,0,1]=4 4488 B11R0.142 C[C@H](CO)N(C)CCCCCO 269982a_100000722520_100016084084 [0,2,0,0,0,0|2,0,0]=4 4489 B11R0.142 C[C@H](CO)N(C)CCOCCO 269982a_100000228057_100016084084 [0,2,0,0,0,0|1,0,0]=3 4490 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|2,0,0]=4 4491 B11R0.142 O=C(CCOCCO)C(O)CO 1458a_100011215603_100011215305 [0,2,0,0,0,0|1,0,0]=3 4492 B11R0.155 CC(CCO)C(=O)COCCO 1458a_100000708028_100009893172 [0,2,0,0,0,0|1,0,1]=4 4493 B11R0.155 CN(CCO)C(=O)COCCO 240690a_100000210263_100000708028 [0,2,0,0,0,0|1,0,1]=4 4494 B11R0.161 CCCC(CCOCCO)SC 34a_100000032865_100000211926 [0,2,0,0,0,0|2,0,0]=4 4495 B11R0.161 CCCC(CCOCCO)SC 7a_100000032865_100000211926 [0,2,0,0,0,0|2,0,0]=4 4496 B11R0.161 CCCN(CC)CCOCCO 2230a_100000226822_100011215305 [0,2,0,0,0,0|2,0,0]=4 4497 B11R0.161 CCCN(CC)CCOCCO 269982a_100000226822_100011215305 [0,2,0,0,0,0|2,0,0]=4 4498 B11R0.161 CCCOCCN(CC)CCO 2230a_100000210973_100011215938 [0,2,0,0,0,0|2,0,0]=4 4499 B11R0.161 CCCOCCN(CC)CCO 269982a_100000210973_100011215938 [0,2,0,0,0,0|2,0,0]=4 4500 B11R0.161 CCN(CCO)CCCCCO 2230a_100000210973_100000746330 [0,2,0,0,0,0|2,0,0]=4 4501 B11R0.161 CCN(CCO)CCCCCO 269982a_100000210973_100000746330 [0,2,0,0,0,0|2,0,0]=4 4502 B11R0.161 CCN(CCO)CCOCCO 2230a_100000210973_100011215305 [0,2,0,0,0,0|1,0,0]=3 4503 B11R0.161 CCN(CCO)CCOCCO 269982a_100000210973_100011215305 [0,2,0,0,0,0|1,0,0]=3 4504 B11R0.174 CCCC(C)CCOC(C)CO 34a_100011217855_100012180447 [0,2,0,0,0,0|2,0,0]=4 4505 B11R0.174 CCCC(C)CCOC(C)CO 7a_100011217855_100012180447 [0,2,0,0,0,0|2,0,0]=4 4506 B11R0.174 CCC[C@H](N)CCOC(C)CO 34a_100015193777_100012180447 [0,2,0,0,0,0|2,0,0]=4 4507 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,2,0,0,0,0|2,0,0]=4 4508 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,2,0,0,0,0|2,0,0]=4 4509 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,2,0,0,0,0|2,0,0]=4 4510 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,2,0,0,0,0|2,0,0]=4 4511 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,2,0,0,0,0|2,0,0]=4 4512 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,2,0,0,0,0|2,0,0]=4 4513 B11R0.176 CN(CCO)CCOCC(F)F 2230a_100000210263_200012177212 [0,2,0,0,0,0|2,0,0]=4 4514 B11R0.176 O=C(CCO)CCOCC(F)F 1458a_100011216618_200012177212 [0,2,0,0,0,0|2,0,0]=4 4515 B11R0.30 CC(Br)COCCOCC(F)F 34a_100012180447_200012177212 [0,2,0,0,0,0|2,0,0]=4 4516 B11R0.30 CC(C)CCCCOCC(C)O 34a_100011214890_100011218427 [0,2,0,0,0,0|2,0,0]=4 4517 B11R0.30 CC(C)CCCCOCC(C)O 7a_100011214890_100011218427 [0,2,0,0,0,0|2,0,0]=4 4518 B11R0.30 CC(C)CCCCOC[C@@H](C)O 34a_100011214890_100009817552 [0,2,0,0,0,0|2,0,0]=4 4519 B11R0.30 CC(C)CCCCOC[C@@H](C)O 7a_100011214890_100009817552 [0,2,0,0,0,0|2,0,0]=4 4520 B11R0.30 CC(C)CNCCOCC(C)O 34a_100015185251_100011218427 [0,2,0,0,0,0|2,0,0]=4 4521 B11R0.30 CC(C)CNCCOC[C@@H](C)O 34a_100015185251_100009817552 [0,2,0,0,0,0|2,0,0]=4 4522 B11R0.30 CC(C)COCCOCC(C)C 34a_100000703358_100000210624 [0,2,0,0,0,0|2,0,0]=4 4523 B11R0.30 CC(C)COCCOCC(C)C 7a_100000703358_100000210760 [0,2,0,0,0,0|2,0,0]=4 4524 B11R0.30 CC(C)COCCOCC(C)O 34a_100000703358_100011218427 [0,2,0,0,0,0|1,0,0]=3 4525 B11R0.30 CC(C)COCCOCC(C)O 7a_100000703358_100011218427 [0,2,0,0,0,0|1,0,0]=3 4526 B11R0.30 CC(C)COCCOCC(F)F 34a_100000210257_200012177212 [0,2,0,0,0,0|2,0,0]=4 4527 B11R0.30 CC(C)COCCOCC(F)F 34a_100000703358_100011934356 [0,2,0,0,0,0|2,0,0]=4 4528 B11R0.30 CC(C)COCCOCC(F)F 34a_100000704375_100000210624 [0,2,0,0,0,0|2,0,0]=4 4529 B11R0.30 CC(C)COCCOCC(F)F 7a_100000703358_100011934356 [0,2,0,0,0,0|2,0,0]=4 4530 B11R0.30 CC(C)COCCOCC(F)F 7a_100000704375_100000210760 [0,2,0,0,0,0|2,0,0]=4 4531 B11R0.30 CC(C)COCCOC[C@@H](C)O 34a_100000703358_100009817552 [0,2,0,0,0,0|1,0,0]=3 4532 B11R0.30 CC(C)COCCOC[C@@H](C)O 7a_100000703358_100009817552 [0,2,0,0,0,0|1,0,0]=3 4533 B11R0.30 CC(C)CSCCOCC(C)O 34a_200000230437_100011218427 [0,2,0,0,0,0|1,1,0]=4 4534 B11R0.30 CC(C)CSCCOCC(C)O 7a_200000230437_100011218427 [0,2,0,0,0,0|1,1,0]=4 4535 B11R0.30 CC(C)CSCCOC[C@@H](C)O 34a_200000230437_100009817552 [0,2,0,0,0,0|1,1,0]=4 4536 B11R0.30 CC(C)CSCCOC[C@@H](C)O 7a_200000230437_100009817552 [0,2,0,0,0,0|1,1,0]=4 4537 B11R0.30 CC(F)COCCOCC(F)F 34a_100015925927_200012177212 [0,2,0,0,0,0|2,0,0]=4 4538 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [0,2,0,0,0,0|1,0,1]=4 4539 B11R0.30 CC(O)CNCCOCC(F)F 2230a_100000210904_200012177212 [0,2,0,0,0,0|2,0,0]=4 4540 B11R0.30 CC(O)CNCCOCC(F)F 34a_100000210904_200012177212 [0,2,0,0,0,0|2,0,0]=4 4541 B11R0.30 CC(O)COCCOCC(F)F 34a_100000704375_100011218427 [0,2,0,0,0,0|1,0,0]=3 4542 B11R0.30 CC(O)COCCOCC(F)F 7a_100000704375_100011218427 [0,2,0,0,0,0|1,0,0]=3 4543 B11R0.30 CC(O)CSCCOCC(F)F 62a_100011218427_200012177212 [0,2,0,0,0,0|1,1,0]=4 4544 B11R0.30 CC(O)CSCCOCC(F)F 62a_200012177212_100011218427 [0,2,0,0,0,0|1,1,0]=4 4545 B11R0.30 C[C@@H](Cl)COCCOCC(F)F 34a_100016084084_200012177212 [0,2,0,0,0,0|2,0,0]=4 4546 B11R0.30 C[C@@H](N)COCCOCC(F)F 34a_100000737577_200012177212 [0,2,0,0,0,0|2,0,0]=4 4547 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [0,2,0,0,0,0|1,0,1]=4 4548 B11R0.30 C[C@@H](O)COCCOCC(F)F 34a_100000704375_100009817552 [0,2,0,0,0,0|1,0,0]=3 4549 B11R0.30 C[C@@H](O)COCCOCC(F)F 7a_100000704375_100009817552 [0,2,0,0,0,0|1,0,0]=3 4550 B11R0.30 C[C@@H](O)CSCCOCC(F)F 62a_100009817552_200012177212 [0,2,0,0,0,0|1,1,0]=4 4551 B11R0.30 C[C@@H](O)CSCCOCC(F)F 62a_200012177212_100009817552 [0,2,0,0,0,0|1,1,0]=4 4552 B11R0.30 FC(F)COCCOCC(F)F 34a_100000704375_100011934356 [0,2,0,0,0,0|2,0,0]=4 4553 B11R0.30 FC(F)COCCOCC(F)F 34a_100000743014_200012177212 [0,2,0,0,0,0|2,0,0]=4 4554 B11R0.30 FC(F)COCCOCC(F)F 7a_100000704375_100011934356 [0,2,0,0,0,0|2,0,0]=4 4555 B11R0.40 C#CC(C)OCCOCCOC 34a_100011215163_200000035995 [0,2,0,0,0,0|1,0,1]=4 4556 B11R0.40 C#CCCCCCOC(C)CO 34a_100000766912_100012180447 [0,2,0,0,0,0|2,0,0]=4 4557 B11R0.40 C#CCCCCCOC(C)CO 7a_100000766912_100012180447 [0,2,0,0,0,0|2,0,0]=4 4558 B11R0.40 C#CCOCCOCC(C)OC 34a_100000690652_100010402529 [0,2,0,0,0,0|1,0,1]=4 4559 B11R0.40 C#CCOCCOCC(O)C=C 34a_100000054580_100000730141 [0,2,0,0,0,0|1,0,1]=4 4560 B11R0.40 C#CCOCCOCC(O)C=C 7a_100000054580_100000730141 [0,2,0,0,0,0|1,0,1]=4 4561 B11R0.40 C#CCOCCOCC(O)CC 34a_100000054580_100011218378 [0,2,0,0,0,0|1,0,1]=4 4562 B11R0.40 C#CCOCCOCC(O)CC 7a_100000054580_100011218378 [0,2,0,0,0,0|1,0,1]=4 4563 B11R0.40 C#CCOCCOCC(O)CO 34a_100000054580_100011219619 [0,2,0,0,0,0|1,0,1]=4 4564 B11R0.40 C#CCOCCOCC(O)CO 7a_100000054580_100011219619 [0,2,0,0,0,0|1,0,1]=4 4565 B11R0.40 C#CCOCCOC[C@@H](C)CO 34a_100000054580_100000059175 [0,2,0,0,0,0|1,0,1]=4 4566 B11R0.40 C#CCOCCOC[C@@H](C)CO 7a_100000054580_100000059175 [0,2,0,0,0,0|1,0,1]=4 4567 B11R0.40 C#CCOCCOC[C@@H](O)CF 34a_100000054580_100015614560 [0,2,0,0,0,0|1,0,1]=4 4568 B11R0.40 C#CCOCCOC[C@@H](O)CF 7a_100000054580_100015614560 [0,2,0,0,0,0|1,0,1]=4 4569 B11R0.40 C#CCOCCOC[C@@H](O)CO 34a_100000054580_100009815848 [0,2,0,0,0,0|1,0,1]=4 4570 B11R0.40 C#CCOCCOC[C@@H](O)CO 7a_100000054580_100009815848 [0,2,0,0,0,0|1,0,1]=4 4571 B11R0.40 C#C[C@@H](C)OCCOCCOC 34a_100009815206_100000695917 [0,2,0,0,0,0|1,0,1]=4 4572 B11R0.40 C#C[C@@H](C)OCCOCCOC 7a_100009815206_100000695917 [0,2,0,0,0,0|1,0,1]=4 4573 B11R0.40 C=CC(C)COCCCCCO 34a_100011215527_100000746330 [0,2,0,0,0,0|2,0,0]=4 4574 B11R0.40 C=CC(C)COCCCCCO 7a_100011215527_100000746330 [0,2,0,0,0,0|2,0,0]=4 4575 B11R0.40 C=CC(C)COCCOCCC 34a_100011215527_100011215938 [0,2,0,0,0,0|2,0,0]=4 4576 B11R0.40 C=CC(C)COCCOCCC 7a_100011215527_100011215938 [0,2,0,0,0,0|2,0,0]=4 4577 B11R0.40 C=CC(C)COCCOCCO 34a_100011215527_100000692535 [0,2,0,0,0,0|1,0,0]=3 4578 B11R0.40 C=CC(C)COCCOCCO 7a_100011215527_100011215305 [0,2,0,0,0,0|1,0,0]=3 4579 B11R0.40 C=CC(C)OCCOCCOC 34a_100000695699_100000695917 [0,2,0,0,0,0|1,0,1]=4 4580 B11R0.40 C=CC(O)CNCCCCCO 2230a_100000762737_100000730141 [0,2,0,0,0,0|2,0,0]=4 4581 B11R0.40 C=CC(O)CNCCCCCO 34a_100000762737_100000730141 [0,2,0,0,0,0|2,0,0]=4 4582 B11R0.40 C=CC(O)CNCCOCCC 2230a_100161115042_100000730141 [0,2,0,0,0,0|2,0,0]=4 4583 B11R0.40 C=CC(O)CNCCOCCC 34a_100161115042_100000730141 [0,2,0,0,0,0|2,0,0]=4 4584 B11R0.40 C=CC(O)CNCCOCCO 2230a_100000211614_100000730141 [0,2,0,0,0,0|1,0,0]=3 4585 B11R0.40 C=CC(O)CNCCOCCO 34a_100000211614_100000730141 [0,2,0,0,0,0|1,0,0]=3 4586 B11R0.40 C=CC(O)CNCCSCCO 2230a_100011219999_100000730141 [0,2,0,0,0,0|1,1,0]=4 4587 B11R0.40 C=CC(O)COCCCCCBr 34a_100000746331_100000730141 [0,2,0,0,0,0|2,0,0]=4 4588 B11R0.40 C=CC(O)COCCCCCBr 7a_100000746331_100000730141 [0,2,0,0,0,0|2,0,0]=4 4589 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,2,0,0,0,0|2,0,0]=4 4590 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,2,0,0,0,0|2,0,0]=4 4591 B11R0.40 C=CC(O)COCCCCCCl 34a_100000746330_100000730141 [0,2,0,0,0,0|2,0,0]=4 4592 B11R0.40 C=CC(O)COCCCCCCl 7a_100000746330_100000730141 [0,2,0,0,0,0|2,0,0]=4 4593 B11R0.40 C=CC(O)COCCCCCI 34a_200012148887_100000730141 [0,2,0,0,0,0|2,0,0]=4 4594 B11R0.40 C=CC(O)COCCCCCI 7a_200012148887_100000730141 [0,2,0,0,0,0|2,0,0]=4 4595 B11R0.40 C=CC(O)COCCCCCN 34a_100000762737_100000730141 [0,2,0,0,0,0|2,0,0]=4 4596 B11R0.40 C=CC(O)COCCOCCBr 34a_100000692535_100000730141 [0,2,0,0,0,0|1,0,0]=3 4597 B11R0.40 C=CC(O)COCCOCCBr 7a_100000692535_100000730141 [0,2,0,0,0,0|1,0,0]=3 4598 B11R0.40 C=CC(O)COCCOCCC 34a_100000752267_100000730141 [0,2,0,0,0,0|1,0,0]=3 4599 B11R0.40 C=CC(O)COCCOCCC 7a_100000752267_100000730141 [0,2,0,0,0,0|1,0,0]=3 4600 B11R0.40 C=CC(O)COCCOCCCl 34a_100011215305_100000730141 [0,2,0,0,0,0|1,0,0]=3 4601 B11R0.40 C=CC(O)COCCOCCCl 7a_100011215305_100000730141 [0,2,0,0,0,0|1,0,0]=3 4602 B11R0.40 C=CC(O)COCCOCCF 34a_200015357709_100000730141 [0,2,0,0,0,0|1,0,0]=3 4603 B11R0.40 C=CC(O)COCCOCCF 7a_200015357709_100000730141 [0,2,0,0,0,0|1,0,0]=3 4604 B11R0.40 C=CC(O)COCCOCCI 34a_100012149058_100000730141 [0,2,0,0,0,0|1,0,0]=3 4605 B11R0.40 C=CC(O)COCCOCCI 7a_100012149058_100000730141 [0,2,0,0,0,0|1,0,0]=3 4606 B11R0.40 C=CC(O)COCCOCCN 34a_100000211614_100000730141 [0,2,0,0,0,0|1,0,0]=3 4607 B11R0.40 C=CC(O)COCCSCCC 34a_200000230433_100000730141 [0,2,0,0,0,0|1,1,0]=4 4608 B11R0.40 C=CC(O)COCCSCCC 7a_200000230433_100000730141 [0,2,0,0,0,0|1,1,0]=4 4609 B11R0.40 C=CC(O)CSCCCCCO 62a_100000730141_100000746330 [0,2,0,0,0,0|1,1,0]=4 4610 B11R0.40 C=CC(O)CSCCCCCO 62a_100000746330_100000730141 [0,2,0,0,0,0|1,1,0]=4 4611 B11R0.40 C=CC(O)CSCCOCCC 62a_100000730141_100011215938 [0,2,0,0,0,0|1,1,0]=4 4612 B11R0.40 C=CC(O)CSCCOCCC 62a_100011215938_100000730141 [0,2,0,0,0,0|1,1,0]=4 4613 B11R0.40 C=CC(O)CSCCOCCO 62a_100000730141_100011215305 [0,2,0,0,0,0|0,1,0]=3 4614 B11R0.40 C=CC(O)CSCCOCCO 62a_100011215305_100000730141 [0,2,0,0,0,0|0,1,0]=3 4615 B11R0.40 C=CCCCCCOC(C)CO 34a_100011216702_100012180447 [0,2,0,0,0,0|2,0,0]=4 4616 B11R0.40 C=CCCCCCOC(C)CO 7a_100011216702_100012180447 [0,2,0,0,0,0|2,0,0]=4 4617 B11R0.40 C=CCOCCOCC(O)C=C 34a_100000037705_100000730141 [0,2,0,0,0,0|1,0,1]=4 4618 B11R0.40 C=CCOCCOCC(O)C=C 7a_100000037705_100000730141 [0,2,0,0,0,0|1,0,1]=4 4619 B11R0.40 C=CCOCCOCC(O)CC 34a_100000037705_100011218378 [0,2,0,0,0,0|1,0,1]=4 4620 B11R0.40 C=CCOCCOCC(O)CC 7a_100000037705_100011218378 [0,2,0,0,0,0|1,0,1]=4 4621 B11R0.40 C=CCOCCOCC(O)CO 34a_100000037705_100011219619 [0,2,0,0,0,0|1,0,1]=4 4622 B11R0.40 C=CCOCCOCC(O)CO 7a_100000037705_100011219619 [0,2,0,0,0,0|1,0,1]=4 4623 B11R0.40 C=CCOCCOC[C@@H](C)CO 34a_100000037705_100000059175 [0,2,0,0,0,0|1,0,1]=4 4624 B11R0.40 C=CCOCCOC[C@@H](C)CO 7a_100000037705_100000059175 [0,2,0,0,0,0|1,0,1]=4 4625 B11R0.40 C=CCOCCOC[C@@H](O)CF 34a_100000037705_100015614560 [0,2,0,0,0,0|1,0,1]=4 4626 B11R0.40 C=CCOCCOC[C@@H](O)CF 7a_100000037705_100015614560 [0,2,0,0,0,0|1,0,1]=4 4627 B11R0.40 C=CCOCCOC[C@@H](O)CO 34a_100000037705_100009815848 [0,2,0,0,0,0|1,0,1]=4 4628 B11R0.40 C=CCOCCOC[C@@H](O)CO 7a_100000037705_100009815848 [0,2,0,0,0,0|1,0,1]=4 4629 B11R0.40 C=C[C@H](N)COCCCCCO 34a_100016989147_100000746330 [0,2,0,0,0,0|2,0,0]=4 4630 B11R0.40 C=C[C@H](N)COCCOCCC 34a_100016989147_100011215938 [0,2,0,0,0,0|2,0,0]=4 4631 B11R0.40 C=C[C@H](N)COCCOCCO 34a_100016989147_100000692535 [0,2,0,0,0,0|1,0,0]=3 4632 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [0,2,0,0,0,0|2,0,0]=4 4633 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [0,2,0,0,0,0|2,0,0]=4 4634 B11R0.40 CC(CN)COCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|2,0,0]=4 4635 B11R0.40 CC(CN)COCCOCCO 34a_100000744482_100000692535 [0,2,0,0,0,0|1,0,0]=3 4636 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|2,0,0]=4 4637 B11R0.40 CC(CO)CCNCCCCO 2230a_106354213184_100000210776 [0,2,0,0,0,0|2,0,0]=4 4638 B11R0.40 CC(CO)CCNCCCCO 34a_106354213184_100011216708 [0,2,0,0,0,0|2,0,0]=4 4639 B11R0.40 CC(CO)CNCCCCCO 34a_100000744482_100000746330 [0,2,0,0,0,0|2,0,0]=4 4640 B11R0.40 CC(CO)CNCCOCCO 34a_100000744482_100000692535 [0,2,0,0,0,0|1,0,0]=3 4641 B11R0.40 CC(CO)NCCCCCCO 2230a_100000686447_100012180447 [0,2,0,0,0,0|2,0,0]=4 4642 B11R0.40 CC(CO)NCCCCCCO 34a_100000686447_100012180447 [0,2,0,0,0,0|2,0,0]=4 4643 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [0,2,0,0,0,0|2,0,0]=4 4644 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [0,2,0,0,0,0|2,0,0]=4 4645 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [0,2,0,0,0,0|2,0,0]=4 4646 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [0,2,0,0,0,0|2,0,0]=4 4647 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [0,2,0,0,0,0|2,0,0]=4 4648 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [0,2,0,0,0,0|2,0,0]=4 4649 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,2,0,0,0,0|2,0,0]=4 4650 B11R0.40 CC(CO)SCCCCCCO 62a_100012180447_100000766143 [0,2,0,0,0,0|1,1,0]=4 4651 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,2,0,0,0,0|2,0,0]=4 4652 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [0,2,0,0,0,0|2,0,0]=4 4653 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [0,2,0,0,0,0|2,0,0]=4 4654 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [0,2,0,0,0,0|2,0,0]=4 4655 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [0,2,0,0,0,0|2,0,0]=4 4656 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,2,0,0,0,0|1,0,0]=3 4657 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,2,0,0,0,0|1,0,0]=3 4658 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,2,0,0,0,0|1,1,0]=4 4659 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,2,0,0,0,0|1,1,0]=4 4660 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,2,0,0,0,0|1,0,1]=4 4661 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,2,0,0,0,0|1,0,1]=4 4662 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,2,0,0,0,0|2,0,0]=4 4663 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,2,0,0,0,0|2,0,0]=4 4664 B11R0.40 CCC(C)CNCCOCCO 2230a_100000211614_100000748023 [0,2,0,0,0,0|2,0,0]=4 4665 B11R0.40 CCC(C)CNCCOCCO 2230a_100020588543_100011215305 [0,2,0,0,0,0|2,0,0]=4 4666 B11R0.40 CCC(C)CNCCOCCO 270004a_100000211614_100000243153 [0,2,0,0,0,0|2,0,0]=4 4667 B11R0.40 CCC(C)CNCCOCCO 34a_100000211614_100000748023 [0,2,0,0,0,0|2,0,0]=4 4668 B11R0.40 CCC(C)COCCOCCBr 34a_100000692535_100000748023 [0,2,0,0,0,0|2,0,0]=4 4669 B11R0.40 CCC(C)COCCOCCBr 7a_100000692535_100000748023 [0,2,0,0,0,0|2,0,0]=4 4670 B11R0.40 CCC(C)COCCOCCCl 34a_100011215305_100000748023 [0,2,0,0,0,0|2,0,0]=4 4671 B11R0.40 CCC(C)COCCOCCCl 7a_100011215305_100000748023 [0,2,0,0,0,0|2,0,0]=4 4672 B11R0.40 CCC(C)COCCOCCF 34a_200015357709_100000748023 [0,2,0,0,0,0|2,0,0]=4 4673 B11R0.40 CCC(C)COCCOCCF 7a_200015357709_100000748023 [0,2,0,0,0,0|2,0,0]=4 4674 B11R0.40 CCC(C)COCCOCCI 34a_100012149058_100000748023 [0,2,0,0,0,0|2,0,0]=4 4675 B11R0.40 CCC(C)COCCOCCI 7a_100012149058_100000748023 [0,2,0,0,0,0|2,0,0]=4 4676 B11R0.40 CCC(C)COCCOCCN 34a_100000211614_100000748023 [0,2,0,0,0,0|2,0,0]=4 4677 B11R0.40 CCC(C)CSCCOCCO 62a_100000748023_100011215305 [0,2,0,0,0,0|1,1,0]=4 4678 B11R0.40 CCC(C)CSCCOCCO 62a_100011215305_100000748023 [0,2,0,0,0,0|1,1,0]=4 4679 B11R0.40 CCC(C)NCCOCCOC 2230a_100000209981_100000695917 [0,2,0,0,0,0|2,0,0]=4 4680 B11R0.40 CCC(C)NCCOCCOC 2230a_100000745349_100000758301 [0,2,0,0,0,0|2,0,0]=4 4681 B11R0.40 CCC(C)NCCOCCOC 34a_100000745349_100011215416 [0,2,0,0,0,0|2,0,0]=4 4682 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,2,0,0,0,0|2,0,0]=4 4683 B11R0.40 CCC(C)OCCOCCNC 34a_100000228057_100011215416 [0,2,0,0,0,0|2,0,0]=4 4684 B11R0.40 CCC(C)OCCOCCOC 34a_100011215163_100011215416 [0,2,0,0,0,0|1,0,0]=3 4685 B11R0.40 CCC(C)OCCOCCOC 7a_100000210228_100000695917 [0,2,0,0,0,0|1,0,0]=3 4686 B11R0.40 CCC(C)OCCOCCOC 7a_100011215163_100000758301 [0,2,0,0,0,0|1,0,0]=3 4687 B11R0.40 CCC(C)SCCOCCOC 62a_100000695917_100000758301 [0,2,0,0,0,0|1,1,0]=4 4688 B11R0.40 CCC(C)SCCOCCOC 62a_100000758301_100000695917 [0,2,0,0,0,0|1,1,0]=4 4689 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,2,0,0,0,0|2,0,0]=4 4690 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,2,0,0,0,0|2,0,0]=4 4691 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,2,0,0,0,0|2,0,0]=4 4692 B11R0.40 CCC(O)CNCCOCCO 2230a_100000211614_100011218378 [0,2,0,0,0,0|1,0,0]=3 4693 B11R0.40 CCC(O)CNCCOCCO 2230a_100011218483_100011215305 [0,2,0,0,0,0|1,0,0]=3 4694 B11R0.40 CCC(O)CNCCOCCO 34a_100000211614_100011218378 [0,2,0,0,0,0|1,0,0]=3 4695 B11R0.40 CCC(O)CNCCSCCO 2230a_100011219999_100011218378 [0,2,0,0,0,0|1,1,0]=4 4696 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,2,0,0,0,0|2,0,0]=4 4697 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,2,0,0,0,0|2,0,0]=4 4698 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,2,0,0,0,0|2,0,0]=4 4699 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,2,0,0,0,0|2,0,0]=4 4700 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,2,0,0,0,0|2,0,0]=4 4701 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,2,0,0,0,0|2,0,0]=4 4702 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,2,0,0,0,0|2,0,0]=4 4703 B11R0.40 CCC(O)COCCOCCBr 34a_100000692535_100011218378 [0,2,0,0,0,0|1,0,0]=3 4704 B11R0.40 CCC(O)COCCOCCBr 7a_100000692535_100011218378 [0,2,0,0,0,0|1,0,0]=3 4705 B11R0.40 CCC(O)COCCOCCCl 34a_100011215305_100011218378 [0,2,0,0,0,0|1,0,0]=3 4706 B11R0.40 CCC(O)COCCOCCCl 7a_100011215305_100011218378 [0,2,0,0,0,0|1,0,0]=3 4707 B11R0.40 CCC(O)COCCOCCF 34a_200015357709_100011218378 [0,2,0,0,0,0|1,0,0]=3 4708 B11R0.40 CCC(O)COCCOCCF 7a_200015357709_100011218378 [0,2,0,0,0,0|1,0,0]=3 4709 B11R0.40 CCC(O)COCCOCCI 34a_100012149058_100011218378 [0,2,0,0,0,0|1,0,0]=3 4710 B11R0.40 CCC(O)COCCOCCI 7a_100012149058_100011218378 [0,2,0,0,0,0|1,0,0]=3 4711 B11R0.40 CCC(O)COCCOCCN 34a_100000211614_100011218378 [0,2,0,0,0,0|1,0,0]=3 4712 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,2,0,0,0,0|1,1,0]=4 4713 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,2,0,0,0,0|1,1,0]=4 4714 B11R0.40 CCC(O)CSCCOCCO 62a_100011215305_100011218378 [0,2,0,0,0,0|0,1,0]=3 4715 B11R0.40 CCC(O)CSCCOCCO 62a_100011218378_100011215305 [0,2,0,0,0,0|0,1,0]=3 4716 B11R0.40 CCCC#CCCOC(C)CO 34a_100000042726_100012180447 [0,2,0,0,0,0|2,0,0]=4 4717 B11R0.40 CCCC#CCCOC(C)CO 7a_100000042726_100012180447 [0,2,0,0,0,0|2,0,0]=4 4718 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,2,0,0,0,0|2,0,0]=4 4719 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,2,0,0,0,0|2,0,0]=4 4720 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,2,0,0,0,0|2,0,0]=4 4721 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,2,0,0,0,0|2,0,0]=4 4722 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,2,0,0,0,0|2,0,0]=4 4723 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,2,0,0,0,0|2,0,0]=4 4724 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,2,0,0,0,0|2,0,0]=4 4725 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,2,0,0,0,0|2,0,0]=4 4726 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,2,0,0,0,0|2,0,0]=4 4727 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,2,0,0,0,0|2,0,0]=4 4728 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,2,0,0,0,0|2,0,0]=4 4729 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,2,0,0,0,0|2,0,0]=4 4730 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,2,0,0,0,0|2,0,0]=4 4731 B11R0.40 CCCCOCCN[C@H](C)CO 2230a_100000737577_100000743108 [0,2,0,0,0,0|2,0,0]=4 4732 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,2,0,0,0,0|2,0,0]=4 4733 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,2,0,0,0,0|2,0,0]=4 4734 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,2,0,0,0,0|2,0,0]=4 4735 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [0,2,0,0,0,0|2,0,0]=4 4736 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [0,2,0,0,0,0|2,0,0]=4 4737 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [0,2,0,0,0,0|2,0,0]=4 4738 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 4739 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,2,0,0,0,0|1,0,0]=3 4740 B11R0.40 CCCCOCCSC(C)CO 62a_100012180447_100000743108 [0,2,0,0,0,0|1,1,0]=4 4741 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100000743108_100016084084 [0,2,0,0,0,0|1,1,0]=4 4742 B11R0.40 CCCCOCCS[C@H](C)CO 62a_100016084084_100000743108 [0,2,0,0,0,0|1,1,0]=4 4743 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,2,0,0,0,0|1,1,0]=4 4744 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,2,0,0,0,0|1,1,0]=4 4745 B11R0.40 CCCOCCCNC(C)CO 2230a_100011217757_100012180447 [0,2,0,0,0,0|2,0,0]=4 4746 B11R0.40 CCCOCCCNC(C)CO 34a_100011217757_100012180447 [0,2,0,0,0,0|2,0,0]=4 4747 B11R0.40 CCCOCCNCC(C)CO 34a_100000744482_100011215938 [0,2,0,0,0,0|2,0,0]=4 4748 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,2,0,0,0,0|2,0,0]=4 4749 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,2,0,0,0,0|2,0,0]=4 4750 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,2,0,0,0,0|2,0,0]=4 4751 B11R0.40 CCCOCCNCC(O)CO 2230a_100161115042_100011219619 [0,2,0,0,0,0|2,0,0]=4 4752 B11R0.40 CCCOCCNCC(O)CO 34a_100161115042_100011219619 [0,2,0,0,0,0|2,0,0]=4 4753 B11R0.40 CCCOCCNC[C@@H](C)CO 2230a_100161115042_100000059175 [0,2,0,0,0,0|2,0,0]=4 4754 B11R0.40 CCCOCCNC[C@@H](C)CO 34a_100161115042_100000059175 [0,2,0,0,0,0|2,0,0]=4 4755 B11R0.40 CCCOCCNC[C@@H](C)OC 2230a_100020591295_100011215938 [0,2,0,0,0,0|2,0,0]=4 4756 B11R0.40 CCCOCCNC[C@@H](F)CO 34a_100015665980_100011215938 [0,2,0,0,0,0|2,0,0]=4 4757 B11R0.40 CCCOCCNC[C@@H](O)CF 2230a_100161115042_100015614560 [0,2,0,0,0,0|2,0,0]=4 4758 B11R0.40 CCCOCCNC[C@@H](O)CF 34a_100161115042_100015614560 [0,2,0,0,0,0|2,0,0]=4 4759 B11R0.40 CCCOCCNC[C@@H](O)CO 2230a_100161115042_100009815848 [0,2,0,0,0,0|2,0,0]=4 4760 B11R0.40 CCCOCCNC[C@@H](O)CO 34a_100161115042_100009815848 [0,2,0,0,0,0|2,0,0]=4 4761 B11R0.40 CCCOCCNC[C@H](O)CO 2230a_100020644852_100011215938 [0,2,0,0,0,0|2,0,0]=4 4762 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,2,0,0,0,0|2,0,0]=4 4763 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,2,0,0,0,0|2,0,0]=4 4764 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,2,0,0,0,0|1,0,1]=4 4765 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 4766 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,2,0,0,0,0|1,0,1]=4 4767 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,2,0,0,0,0|2,0,0]=4 4768 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,2,0,0,0,0|2,0,0]=4 4769 B11R0.40 CCCOCCOCC(C)CN 34a_100000744482_100011215938 [0,2,0,0,0,0|2,0,0]=4 4770 B11R0.40 CCCOCCOCC(C)OC 34a_100000690652_100011215938 [0,2,0,0,0,0|1,0,0]=3 4771 B11R0.40 CCCOCCOCC(Cl)CCl 34a_100000033668_100011215938 [0,2,0,0,0,0|2,0,0]=4 4772 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,2,0,0,0,0|1,0,0]=3 4773 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,2,0,0,0,0|1,0,0]=3 4774 B11R0.40 CCCOCCOCC(O)CO 34a_100000752267_100011219619 [0,2,0,0,0,0|1,0,0]=3 4775 B11R0.40 CCCOCCOCC(O)CO 7a_100000752267_100011219619 [0,2,0,0,0,0|1,0,0]=3 4776 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,2,0,0,0,0|2,0,0]=4 4777 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,2,0,0,0,0|2,0,0]=4 4778 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,2,0,0,0,0|2,0,0]=4 4779 B11R0.40 CCCOCCOC[C@@H](C)CO 34a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 4780 B11R0.40 CCCOCCOC[C@@H](C)CO 7a_100000752267_100000059175 [0,2,0,0,0,0|1,0,0]=3 4781 B11R0.40 CCCOCCOC[C@@H](O)CF 34a_100000752267_100015614560 [0,2,0,0,0,0|1,0,0]=3 4782 B11R0.40 CCCOCCOC[C@@H](O)CF 7a_100000752267_100015614560 [0,2,0,0,0,0|1,0,0]=3 4783 B11R0.40 CCCOCCOC[C@@H](O)CO 34a_100000752267_100009815848 [0,2,0,0,0,0|1,0,0]=3 4784 B11R0.40 CCCOCCOC[C@@H](O)CO 7a_100000752267_100009815848 [0,2,0,0,0,0|1,0,0]=3 4785 B11R0.40 CCCOCCOC[C@H](F)CN 34a_100015665980_100011215938 [0,2,0,0,0,0|2,0,0]=4 4786 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,2,0,0,0,0|1,1,0]=4 4787 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,2,0,0,0,0|1,1,0]=4 4788 B11R0.40 CCCOCCSCC(O)CO 62a_100011215938_100011219619 [0,2,0,0,0,0|1,1,0]=4 4789 B11R0.40 CCCOCCSCC(O)CO 62a_100011219619_100011215938 [0,2,0,0,0,0|1,1,0]=4 4790 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100000059175_100011215938 [0,2,0,0,0,0|1,1,0]=4 4791 B11R0.40 CCCOCCSC[C@@H](C)CO 62a_100011215938_100000059175 [0,2,0,0,0,0|1,1,0]=4 4792 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100011215938_100015614560 [0,2,0,0,0,0|1,1,0]=4 4793 B11R0.40 CCCOCCSC[C@@H](O)CF 62a_100015614560_100011215938 [0,2,0,0,0,0|1,1,0]=4 4794 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100009815848_100011215938 [0,2,0,0,0,0|1,1,0]=4 4795 B11R0.40 CCCOCCSC[C@@H](O)CO 62a_100011215938_100009815848 [0,2,0,0,0,0|1,1,0]=4 4796 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,2,0,0,0,0|1,1,0]=4 4797 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,2,0,0,0,0|1,1,0]=4 4798 B11R0.40 CCCSCCOCC(O)CO 34a_200000230433_100011219619 [0,2,0,0,0,0|1,1,0]=4 4799 B11R0.40 CCCSCCOCC(O)CO 7a_200000230433_100011219619 [0,2,0,0,0,0|1,1,0]=4 4800 B11R0.40 CCCSCCOC[C@@H](C)CO 34a_200000230433_100000059175 [0,2,0,0,0,0|1,1,0]=4 4801 B11R0.40 CCCSCCOC[C@@H](C)CO 7a_200000230433_100000059175 [0,2,0,0,0,0|1,1,0]=4 4802 B11R0.40 CCCSCCOC[C@@H](O)CF 34a_200000230433_100015614560 [0,2,0,0,0,0|1,1,0]=4 4803 B11R0.40 CCCSCCOC[C@@H](O)CF 7a_200000230433_100015614560 [0,2,0,0,0,0|1,1,0]=4 4804 B11R0.40 CCCSCCOC[C@@H](O)CO 34a_200000230433_100009815848 [0,2,0,0,0,0|1,1,0]=4 4805 B11R0.40 CCCSCCOC[C@@H](O)CO 7a_200000230433_100009815848 [0,2,0,0,0,0|1,1,0]=4 4806 B11R0.40 CC[C@H](C)CNCCOCCO 2230a_100000211614_100009816398 [0,2,0,0,0,0|2,0,0]=4 4807 B11R0.40 CC[C@H](C)CNCCOCCO 34a_100000211614_100009816398 [0,2,0,0,0,0|2,0,0]=4 4808 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,2,0,0,0,0|2,0,0]=4 4809 B11R0.40 CC[C@H](C)COCCOCCBr 34a_100000692535_100009816398 [0,2,0,0,0,0|2,0,0]=4 4810 B11R0.40 CC[C@H](C)COCCOCCBr 7a_100000692535_100009816398 [0,2,0,0,0,0|2,0,0]=4 4811 B11R0.40 CC[C@H](C)COCCOCCCl 34a_100011215305_100009816398 [0,2,0,0,0,0|2,0,0]=4 4812 B11R0.40 CC[C@H](C)COCCOCCCl 7a_100011215305_100009816398 [0,2,0,0,0,0|2,0,0]=4 4813 B11R0.40 CC[C@H](C)COCCOCCF 34a_200015357709_100009816398 [0,2,0,0,0,0|2,0,0]=4 4814 B11R0.40 CC[C@H](C)COCCOCCF 7a_200015357709_100009816398 [0,2,0,0,0,0|2,0,0]=4 4815 B11R0.40 CC[C@H](C)COCCOCCI 34a_100012149058_100009816398 [0,2,0,0,0,0|2,0,0]=4 4816 B11R0.40 CC[C@H](C)COCCOCCI 7a_100012149058_100009816398 [0,2,0,0,0,0|2,0,0]=4 4817 B11R0.40 CC[C@H](C)COCCOCCN 34a_100000211614_100009816398 [0,2,0,0,0,0|2,0,0]=4 4818 B11R0.40 CC[C@H](C)COCCOCCO 7a_100009816381_100011215305 [0,2,0,0,0,0|1,0,0]=3 4819 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100009816398_100011215305 [0,2,0,0,0,0|1,1,0]=4 4820 B11R0.40 CC[C@H](C)CSCCOCCO 62a_100011215305_100009816398 [0,2,0,0,0,0|1,1,0]=4 4821 B11R0.40 CNC(=O)COCCOCCO 1626a_100102657272_106645077154 [0,2,0,0,0,0|0,0,2]=4 4822 B11R0.40 CNC(=O)COCCOCCO 240690a_100102657272_106645077154 [0,2,0,0,0,0|0,0,2]=4 4823 B11R0.40 CNC(=O)COCCOCCO 34a_100000750040_100000692535 [0,2,0,0,0,0|0,0,2]=4 4824 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [0,2,0,0,0,0|2,0,0]=4 4825 B11R0.40 CNCCOCCOC(C)CO 34a_100000228057_100012180447 [0,2,0,0,0,0|1,0,0]=3 4826 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,2,0,0,0,0|1,0,1]=4 4827 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,2,0,0,0,0|1,0,1]=4 4828 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,2,0,0,0,0|1,0,1]=4 4829 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,2,0,0,0,0|1,0,1]=4 4830 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,2,0,0,0,0|1,0,1]=4 4831 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,2,0,0,0,0|1,0,1]=4 4832 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,2,0,0,0,0|1,0,1]=4 4833 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,2,0,0,0,0|1,0,1]=4 4834 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,2,0,0,0,0|1,0,1]=4 4835 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,2,0,0,0,0|1,0,1]=4 4836 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,2,0,0,0,0|1,0,1]=4 4837 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,2,0,0,0,0|1,0,1]=4 4838 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,2,0,0,0,0|1,0,1]=4 4839 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,2,0,0,0,0|1,0,1]=4 4840 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,2,0,0,0,0|1,0,1]=4 4841 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,2,0,0,0,0|1,0,1]=4 4842 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,2,0,0,0,0|1,0,1]=4 4843 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,2,0,0,0,0|0,1,1]=4 4844 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,2,0,0,0,0|0,1,1]=4 4845 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,2,0,0,0,0|0,1,1]=4 4846 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,2,0,0,0,0|0,1,1]=4 4847 B11R0.40 COC(C)COCCCCCF 34a_100000690652_100000729378 [0,2,0,0,0,0|2,0,0]=4 4848 B11R0.40 COC(C)COCCCCCO 34a_100000690652_100000746330 [0,2,0,0,0,0|1,0,0]=3 4849 B11R0.40 COC(C)COCCOCCO 34a_100000690652_100000692535 [0,2,0,0,0,0|0,0,0]=2 4850 B11R0.40 COCCCCCNC(C)CO 2230a_100000747528_100012180447 [0,2,0,0,0,0|2,0,0]=4 4851 B11R0.40 COCCCCCNC(C)CO 34a_100000747528_100012180447 [0,2,0,0,0,0|2,0,0]=4 4852 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,2,0,0,0,0|1,0,1]=4 4853 B11R0.40 COCCOCCC[C@@H](C)CN 34a_100160569302_100011201679 [0,2,0,0,0,0|2,0,0]=4 4854 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,2,0,0,0,0|1,0,1]=4 4855 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,2,0,0,0,0|1,0,1]=4 4856 B11R0.40 COCCOCCNC(C)CO 2230a_100000745349_100012180447 [0,2,0,0,0,0|1,0,0]=3 4857 B11R0.40 COCCOCCNC(C)CO 34a_100000745349_100012180447 [0,2,0,0,0,0|1,0,0]=3 4858 B11R0.40 COCCOCCN[C@H](C)CO 2230a_100000737577_100000695917 [0,2,0,0,0,0|1,0,0]=3 4859 B11R0.40 COCCOCCOC(C)C#N 34a_100011218135_100000695917 [0,2,0,0,0,0|1,0,1]=4 4860 B11R0.40 COCCOCCOC(C)C#N 7a_100011215163_100000703298 [0,2,0,0,0,0|1,0,1]=4 4861 B11R0.40 COCCOCCOC(C)CF 34a_100016041109_100000695917 [0,2,0,0,0,0|1,0,0]=3 4862 B11R0.40 COCCOCCOC(C)CF 7a_100016041109_100000695917 [0,2,0,0,0,0|1,0,0]=3 4863 B11R0.40 COCCOCCOC(C)CN 34a_100000210904_100000695917 [0,2,0,0,0,0|1,0,0]=3 4864 B11R0.40 COCCOCCOC(C)CO 34a_100011215163_100012180447 [0,2,0,0,0,0|0,0,0]=2 4865 B11R0.40 COCCOCCOC(C)CO 7a_100011215163_100012180447 [0,2,0,0,0,0|0,0,0]=2 4866 B11R0.40 COCCOCCSC(C)CO 62a_100012180447_100000695917 [0,2,0,0,0,0|0,1,0]=3 4867 B11R0.40 COCCOCCS[C@H](C)CO 62a_100000695917_100016084084 [0,2,0,0,0,0|0,1,0]=3 4868 B11R0.40 COCCOCCS[C@H](C)CO 62a_100016084084_100000695917 [0,2,0,0,0,0|0,1,0]=3 4869 B11R0.40 COCCOCNC[C@H](O)CO 2230a_100020644852_100000231047 [0,2,0,0,0,0|2,0,0]=4 4870 B11R0.40 COCCOCSCC(O)CO 62a_100000231047_100011219619 [0,2,0,0,0,0|2,0,0]=4 4871 B11R0.40 COCCOCSCC(O)CO 62a_100011219619_100000231047 [0,2,0,0,0,0|2,0,0]=4 4872 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000059175_100000231047 [0,2,0,0,0,0|2,0,0]=4 4873 B11R0.40 COCCOCSC[C@@H](C)CO 62a_100000231047_100000059175 [0,2,0,0,0,0|2,0,0]=4 4874 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100000231047_100009815848 [0,2,0,0,0,0|2,0,0]=4 4875 B11R0.40 COCCOCSC[C@@H](O)CO 62a_100009815848_100000231047 [0,2,0,0,0,0|2,0,0]=4 4876 B11R0.40 CO[C@H](C)CNCCCCCO 2230a_100020591295_100000746330 [0,2,0,0,0,0|2,0,0]=4 4877 B11R0.40 CO[C@H](C)CNCCOCCO 2230a_100020591295_100011215305 [0,2,0,0,0,0|1,0,0]=3 4878 B11R0.40 C[C@@H](CN)CCCOCCCO 34a_100160569302_100000230001 [0,2,0,0,0,0|2,0,0]=4 4879 B11R0.40 C[C@@H](CO)CNCCCCCO 2230a_100000762737_100000059175 [0,2,0,0,0,0|2,0,0]=4 4880 B11R0.40 C[C@@H](CO)CNCCCCCO 34a_100000762737_100000059175 [0,2,0,0,0,0|2,0,0]=4 4881 B11R0.40 C[C@@H](CO)CNCCOCCO 2230a_100000211614_100000059175 [0,2,0,0,0,0|1,0,0]=3 4882 B11R0.40 C[C@@H](CO)CNCCOCCO 34a_100000211614_100000059175 [0,2,0,0,0,0|1,0,0]=3 4883 B11R0.40 C[C@@H](CO)CNCCSCCO 2230a_100011219999_100000059175 [0,2,0,0,0,0|1,1,0]=4 4884 B11R0.40 C[C@@H](CO)COCCCCCBr 34a_100000746331_100000059175 [0,2,0,0,0,0|2,0,0]=4 4885 B11R0.40 C[C@@H](CO)COCCCCCBr 7a_100000746331_100000059175 [0,2,0,0,0,0|2,0,0]=4 4886 B11R0.40 C[C@@H](CO)COCCCCCCl 34a_100000746330_100000059175 [0,2,0,0,0,0|2,0,0]=4 4887 B11R0.40 C[C@@H](CO)COCCCCCCl 7a_100000746330_100000059175 [0,2,0,0,0,0|2,0,0]=4 4888 B11R0.40 C[C@@H](CO)COCCCCCI 34a_200012148887_100000059175 [0,2,0,0,0,0|2,0,0]=4 4889 B11R0.40 C[C@@H](CO)COCCCCCI 7a_200012148887_100000059175 [0,2,0,0,0,0|2,0,0]=4 4890 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,2,0,0,0,0|2,0,0]=4 4891 B11R0.40 C[C@@H](CO)COCCOCCBr 34a_100000692535_100000059175 [0,2,0,0,0,0|1,0,0]=3 4892 B11R0.40 C[C@@H](CO)COCCOCCBr 7a_100000692535_100000059175 [0,2,0,0,0,0|1,0,0]=3 4893 B11R0.40 C[C@@H](CO)COCCOCCCl 34a_100011215305_100000059175 [0,2,0,0,0,0|1,0,0]=3 4894 B11R0.40 C[C@@H](CO)COCCOCCCl 7a_100011215305_100000059175 [0,2,0,0,0,0|1,0,0]=3 4895 B11R0.40 C[C@@H](CO)COCCOCCF 34a_200015357709_100000059175 [0,2,0,0,0,0|1,0,0]=3 4896 B11R0.40 C[C@@H](CO)COCCOCCF 7a_200015357709_100000059175 [0,2,0,0,0,0|1,0,0]=3 4897 B11R0.40 C[C@@H](CO)COCCOCCI 34a_100012149058_100000059175 [0,2,0,0,0,0|1,0,0]=3 4898 B11R0.40 C[C@@H](CO)COCCOCCI 7a_100012149058_100000059175 [0,2,0,0,0,0|1,0,0]=3 4899 B11R0.40 C[C@@H](CO)COCCOCCN 34a_100000211614_100000059175 [0,2,0,0,0,0|1,0,0]=3 4900 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000059175_100000746330 [0,2,0,0,0,0|1,1,0]=4 4901 B11R0.40 C[C@@H](CO)CSCCCCCO 62a_100000746330_100000059175 [0,2,0,0,0,0|1,1,0]=4 4902 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100000059175_100011215305 [0,2,0,0,0,0|0,1,0]=3 4903 B11R0.40 C[C@@H](CO)CSCCOCCO 62a_100011215305_100000059175 [0,2,0,0,0,0|0,1,0]=3 4904 B11R0.40 C[C@H](CO)NCCCCCCO 2230a_100000737577_100000766143 [0,2,0,0,0,0|2,0,0]=4 4905 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100000766143_100016084084 [0,2,0,0,0,0|1,1,0]=4 4906 B11R0.40 C[C@H](CO)SCCCCCCO 62a_100016084084_100000766143 [0,2,0,0,0,0|1,1,0]=4 4907 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|2,0,0]=4 4908 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|2,0,0]=4 4909 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|2,0,0]=4 4910 B11R0.40 NCCOCCOCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|1,0,0]=3 4911 B11R0.40 NCCOCCOC[C@@H](O)CF 34a_100000211614_100015614560 [0,2,0,0,0,0|1,0,0]=3 4912 B11R0.40 NCCOCCOC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|1,0,0]=3 4913 B11R0.40 NC[C@@H](F)COCCCCCO 34a_100015665980_100000746330 [0,2,0,0,0,0|2,0,0]=4 4914 B11R0.40 NC[C@@H](F)COCCOCCO 34a_100015665980_100000692535 [0,2,0,0,0,0|1,0,0]=3 4915 B11R0.40 O=C(CF)COCCOCCO 1458a_106645077154_100015361967 [0,2,0,0,0,0|1,0,0]=3 4916 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,2,0,0,0,0|2,0,0]=4 4917 B11R0.40 OCC(O)COCCCCCBr 34a_100000746331_100011219619 [0,2,0,0,0,0|2,0,0]=4 4918 B11R0.40 OCC(O)COCCCCCBr 7a_100000746331_100011219619 [0,2,0,0,0,0|2,0,0]=4 4919 B11R0.40 OCC(O)COCCCCCCl 34a_100000746330_100011219619 [0,2,0,0,0,0|2,0,0]=4 4920 B11R0.40 OCC(O)COCCCCCCl 7a_100000746330_100011219619 [0,2,0,0,0,0|2,0,0]=4 4921 B11R0.40 OCC(O)COCCCCCI 34a_200012148887_100011219619 [0,2,0,0,0,0|2,0,0]=4 4922 B11R0.40 OCC(O)COCCCCCI 7a_200012148887_100011219619 [0,2,0,0,0,0|2,0,0]=4 4923 B11R0.40 OCC(O)COCCOCCBr 34a_100000692535_100011219619 [0,2,0,0,0,0|1,0,0]=3 4924 B11R0.40 OCC(O)COCCOCCBr 7a_100000692535_100011219619 [0,2,0,0,0,0|1,0,0]=3 4925 B11R0.40 OCC(O)COCCOCCCl 34a_100011215305_100011219619 [0,2,0,0,0,0|1,0,0]=3 4926 B11R0.40 OCC(O)COCCOCCCl 7a_100011215305_100011219619 [0,2,0,0,0,0|1,0,0]=3 4927 B11R0.40 OCC(O)COCCOCCF 34a_200015357709_100011219619 [0,2,0,0,0,0|1,0,0]=3 4928 B11R0.40 OCC(O)COCCOCCF 7a_200015357709_100011219619 [0,2,0,0,0,0|1,0,0]=3 4929 B11R0.40 OCC(O)COCCOCCI 34a_100012149058_100011219619 [0,2,0,0,0,0|1,0,0]=3 4930 B11R0.40 OCC(O)COCCOCCI 7a_100012149058_100011219619 [0,2,0,0,0,0|1,0,0]=3 4931 B11R0.40 OCCCCCNCC(O)CO 2230a_100000762737_100011219619 [0,2,0,0,0,0|2,0,0]=4 4932 B11R0.40 OCCCCCNCC(O)CO 34a_100000762737_100011219619 [0,2,0,0,0,0|2,0,0]=4 4933 B11R0.40 OCCCCCNC[C@@H](F)CO 34a_100015665980_100000746330 [0,2,0,0,0,0|2,0,0]=4 4934 B11R0.40 OCCCCCNC[C@@H](O)CF 2230a_100000762737_100015614560 [0,2,0,0,0,0|2,0,0]=4 4935 B11R0.40 OCCCCCNC[C@@H](O)CF 34a_100000762737_100015614560 [0,2,0,0,0,0|2,0,0]=4 4936 B11R0.40 OCCCCCNC[C@@H](O)CO 2230a_100000762737_100009815848 [0,2,0,0,0,0|2,0,0]=4 4937 B11R0.40 OCCCCCNC[C@@H](O)CO 34a_100000762737_100009815848 [0,2,0,0,0,0|2,0,0]=4 4938 B11R0.40 OCCCCCNC[C@H](O)CO 2230a_100020644852_100000746330 [0,2,0,0,0,0|2,0,0]=4 4939 B11R0.40 OCCCCCOCC(Cl)CCl 34a_100000033668_100000746330 [0,2,0,0,0,0|2,0,0]=4 4940 B11R0.40 OCCCCCSCC(O)CO 62a_100000746330_100011219619 [0,2,0,0,0,0|1,1,0]=4 4941 B11R0.40 OCCCCCSCC(O)CO 62a_100011219619_100000746330 [0,2,0,0,0,0|1,1,0]=4 4942 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100000746330_100015614560 [0,2,0,0,0,0|1,1,0]=4 4943 B11R0.40 OCCCCCSC[C@@H](O)CF 62a_100015614560_100000746330 [0,2,0,0,0,0|1,1,0]=4 4944 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100000746330_100009815848 [0,2,0,0,0,0|1,1,0]=4 4945 B11R0.40 OCCCCCSC[C@@H](O)CO 62a_100009815848_100000746330 [0,2,0,0,0,0|1,1,0]=4 4946 B11R0.40 OCCOCCNCC(O)CO 2230a_100000211614_100011219619 [0,2,0,0,0,0|1,0,0]=3 4947 B11R0.40 OCCOCCNCC(O)CO 34a_100000211614_100011219619 [0,2,0,0,0,0|1,0,0]=3 4948 B11R0.40 OCCOCCNC[C@@H](F)CO 34a_100015665980_100000692535 [0,2,0,0,0,0|1,0,0]=3 4949 B11R0.40 OCCOCCNC[C@@H](O)CF 2230a_100000211614_100015614560 [0,2,0,0,0,0|1,0,0]=3 4950 B11R0.40 OCCOCCNC[C@@H](O)CF 34a_100000211614_100015614560 [0,2,0,0,0,0|1,0,0]=3 4951 B11R0.40 OCCOCCNC[C@@H](O)CO 2230a_100000211614_100009815848 [0,2,0,0,0,0|1,0,0]=3 4952 B11R0.40 OCCOCCNC[C@@H](O)CO 34a_100000211614_100009815848 [0,2,0,0,0,0|1,0,0]=3 4953 B11R0.40 OCCOCCNC[C@H](O)CO 2230a_100020644852_100011215305 [0,2,0,0,0,0|1,0,0]=3 4954 B11R0.40 OCCOCCOCC(Cl)CCl 34a_100000033668_100000692535 [0,2,0,0,0,0|1,0,0]=3 4955 B11R0.40 OCCOCCSCC(O)CO 62a_100011215305_100011219619 [0,2,0,0,0,0|0,1,0]=3 4956 B11R0.40 OCCOCCSCC(O)CO 62a_100011219619_100011215305 [0,2,0,0,0,0|0,1,0]=3 4957 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100011215305_100015614560 [0,2,0,0,0,0|0,1,0]=3 4958 B11R0.40 OCCOCCSC[C@@H](O)CF 62a_100015614560_100011215305 [0,2,0,0,0,0|0,1,0]=3 4959 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100009815848_100011215305 [0,2,0,0,0,0|0,1,0]=3 4960 B11R0.40 OCCOCCSC[C@@H](O)CO 62a_100011215305_100009815848 [0,2,0,0,0,0|0,1,0]=3 4961 B11R0.40 OCCSCCNCC(O)CO 2230a_100011219999_100011219619 [0,2,0,0,0,0|1,1,0]=4 4962 B11R0.40 OCCSCCNC[C@@H](O)CF 2230a_100011219999_100015614560 [0,2,0,0,0,0|1,1,0]=4 4963 B11R0.40 OCCSCCNC[C@@H](O)CO 2230a_100011219999_100009815848 [0,2,0,0,0,0|1,1,0]=4 4964 B11R0.40 OC[C@H](O)COCCCCCBr 34a_100000746331_100009815848 [0,2,0,0,0,0|2,0,0]=4 4965 B11R0.40 OC[C@H](O)COCCCCCBr 7a_100000746331_100009815848 [0,2,0,0,0,0|2,0,0]=4 4966 B11R0.40 OC[C@H](O)COCCCCCCl 34a_100000746330_100009815848 [0,2,0,0,0,0|2,0,0]=4 4967 B11R0.40 OC[C@H](O)COCCCCCCl 7a_100000746330_100009815848 [0,2,0,0,0,0|2,0,0]=4 4968 B11R0.40 OC[C@H](O)COCCCCCI 34a_200012148887_100009815848 [0,2,0,0,0,0|2,0,0]=4 4969 B11R0.40 OC[C@H](O)COCCCCCI 7a_200012148887_100009815848 [0,2,0,0,0,0|2,0,0]=4 4970 B11R0.40 OC[C@H](O)COCCOCCBr 34a_100000692535_100009815848 [0,2,0,0,0,0|1,0,0]=3 4971 B11R0.40 OC[C@H](O)COCCOCCBr 7a_100000692535_100009815848 [0,2,0,0,0,0|1,0,0]=3 4972 B11R0.40 OC[C@H](O)COCCOCCCl 34a_100011215305_100009815848 [0,2,0,0,0,0|1,0,0]=3 4973 B11R0.40 OC[C@H](O)COCCOCCCl 7a_100011215305_100009815848 [0,2,0,0,0,0|1,0,0]=3 4974 B11R0.40 OC[C@H](O)COCCOCCF 34a_200015357709_100009815848 [0,2,0,0,0,0|1,0,0]=3 4975 B11R0.40 OC[C@H](O)COCCOCCF 7a_200015357709_100009815848 [0,2,0,0,0,0|1,0,0]=3 4976 B11R0.40 OC[C@H](O)COCCOCCI 34a_100012149058_100009815848 [0,2,0,0,0,0|1,0,0]=3 4977 B11R0.40 OC[C@H](O)COCCOCCI 7a_100012149058_100009815848 [0,2,0,0,0,0|1,0,0]=3 4978 B11R0.40 O[C@@H](CF)COCCCCCBr 34a_100000746331_100015614560 [0,2,0,0,0,0|2,0,0]=4 4979 B11R0.40 O[C@@H](CF)COCCCCCBr 7a_100000746331_100015614560 [0,2,0,0,0,0|2,0,0]=4 4980 B11R0.40 O[C@@H](CF)COCCCCCCl 34a_100000746330_100015614560 [0,2,0,0,0,0|2,0,0]=4 4981 B11R0.40 O[C@@H](CF)COCCCCCCl 7a_100000746330_100015614560 [0,2,0,0,0,0|2,0,0]=4 4982 B11R0.40 O[C@@H](CF)COCCCCCI 34a_200012148887_100015614560 [0,2,0,0,0,0|2,0,0]=4 4983 B11R0.40 O[C@@H](CF)COCCCCCI 7a_200012148887_100015614560 [0,2,0,0,0,0|2,0,0]=4 4984 B11R0.40 O[C@@H](CF)COCCOCCBr 34a_100000692535_100015614560 [0,2,0,0,0,0|1,0,0]=3 4985 B11R0.40 O[C@@H](CF)COCCOCCBr 7a_100000692535_100015614560 [0,2,0,0,0,0|1,0,0]=3 4986 B11R0.40 O[C@@H](CF)COCCOCCCl 34a_100011215305_100015614560 [0,2,0,0,0,0|1,0,0]=3 4987 B11R0.40 O[C@@H](CF)COCCOCCCl 7a_100011215305_100015614560 [0,2,0,0,0,0|1,0,0]=3 4988 B11R0.40 O[C@@H](CF)COCCOCCF 34a_200015357709_100015614560 [0,2,0,0,0,0|1,0,0]=3 4989 B11R0.40 O[C@@H](CF)COCCOCCF 7a_200015357709_100015614560 [0,2,0,0,0,0|1,0,0]=3 4990 B11R0.40 O[C@@H](CF)COCCOCCI 34a_100012149058_100015614560 [0,2,0,0,0,0|1,0,0]=3 4991 B11R0.40 O[C@@H](CF)COCCOCCI 7a_100012149058_100015614560 [0,2,0,0,0,0|1,0,0]=3 4992 B11R0.42 CC(=O)C(C)OCCOCCO 34a_100000212229_100000692535 [0,2,0,0,0,0|0,0,2]=4 4993 B11R0.42 CC(C)C(C)NCCOCCO 2230a_100000211541_100011215305 [0,2,0,0,0,0|2,0,0]=4 4994 B11R0.42 CC(C)C(C)OCCCCCO 7a_100000748068_100000746330 [0,2,0,0,0,0|2,0,0]=4 4995 B11R0.42 CC(C)C(C)OCCOCCO 7a_100000748068_100011215305 [0,2,0,0,0,0|1,0,0]=3 4996 B11R0.42 CCCOCCOC(C)C(C)C 7a_100000748068_100011215938 [0,2,0,0,0,0|2,0,0]=4 4997 B11R0.42 C[C@@H](O)C(=O)NCCOCCO 240690a_100000211614_100000717761 [0,2,0,0,0,0|1,0,1]=4 4998 B11R0.42 C[C@@H](OCCOCCO)C(=O)N 34a_100000731257_100000692535 [0,2,0,0,0,0|0,0,2]=4 4999 B11R0.42 C[C@@H](OCCOCCO)C(=O)N 7a_100000731257_100011215305 [0,2,0,0,0,0|0,0,2]=4 5000 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,2,0,0,0,0|1,0,1]=4 5001 B11R0.42 C[C@H](O)C(=O)NCCOCCO 240690a_100000211614_217856618621 [0,2,0,0,0,0|1,0,1]=4 5002 B11R0.42 C[C@H](OCCOCCO)C(=O)[O-] 7a_217856618621_100011215305 [0,2,0,0,0,0|0,0,2]=4 5003 B11R0.42 O=C(NCCOCCO)C(O)O 240690a_100000211614_100000233687 [0,2,0,0,0,0|1,0,1]=4 5004 B11R0.46 C#CCOCC(C)OCC(C)O 34a_100011025554_100011218427 [0,2,0,0,0,0|1,0,1]=4 5005 B11R0.46 C#CCOCC(C)OCC(C)O 7a_100011025554_100011218427 [0,2,0,0,0,0|1,0,1]=4 5006 B11R0.46 C#CCOCC(C)OC[C@@H](C)O 34a_100011025554_100009817552 [0,2,0,0,0,0|1,0,1]=4 5007 B11R0.46 C#CCOCC(C)OC[C@@H](C)O 7a_100011025554_100009817552 [0,2,0,0,0,0|1,0,1]=4 5008 B11R0.46 CC(O)CCC(=O)COCCO 1458a_100000708028_100012276601 [0,2,0,0,0,0|1,0,1]=4 5009 B11R0.46 CC(O)CNC(=O)COCCO 240690a_100000210904_100000708028 [0,2,0,0,0,0|1,0,1]=4 5010 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,2,0,0,0,0|2,0,0]=4 5011 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,2,0,0,0,0|2,0,0]=4 5012 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,2,0,0,0,0|2,0,0]=4 5013 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,2,0,0,0,0|2,0,0]=4 5014 B11R0.111 CC(C)CCCCOC(C)CO 34a_100011214890_100012180447 [0,2,0,0,0,0|2,0,0]=4 5015 B11R0.111 CC(C)CCCCOC(C)CO 7a_100011214890_100012180447 [0,2,0,0,0,0|2,0,0]=4 5016 B11R0.111 CC(C)CNCCOC(C)CO 34a_100015185251_100012180447 [0,2,0,0,0,0|2,0,0]=4 5017 B11R0.111 CC(C)COCCOC(C)CO 34a_100000703358_100012180447 [0,2,0,0,0,0|1,0,0]=3 5018 B11R0.111 CC(C)COCCOC(C)CO 7a_100000703358_100012180447 [0,2,0,0,0,0|1,0,0]=3 5019 B11R0.111 CC(C)CSCCOC(C)CO 34a_200000230437_100012180447 [0,2,0,0,0,0|1,1,0]=4 5020 B11R0.111 CC(C)CSCCOC(C)CO 7a_200000230437_100012180447 [0,2,0,0,0,0|1,1,0]=4 5021 B11R0.111 CC(CF)OCCOCC(F)F 34a_100016041109_200012177212 [0,2,0,0,0,0|2,0,0]=4 5022 B11R0.111 CC(CF)OCCOCC(F)F 7a_100016041109_200012177212 [0,2,0,0,0,0|2,0,0]=4 5023 B11R0.111 CC(CN)OCCOCC(F)F 34a_100000210904_200012177212 [0,2,0,0,0,0|2,0,0]=4 5024 B11R0.111 CC(CO)OCCOCC(F)F 34a_100000704375_100012180447 [0,2,0,0,0,0|1,0,0]=3 5025 B11R0.111 CC(CO)OCCOCC(F)F 7a_100000704375_100012180447 [0,2,0,0,0,0|1,0,0]=3 5026 B11R0.111 CC(CO)SCCOCC(F)F 62a_100012180447_200012177212 [0,2,0,0,0,0|1,1,0]=4 5027 B11R0.111 CC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218427 [0,2,0,0,0,0|2,0,0]=4 5028 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,2,0,0,0,0|1,0,1]=4 5029 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,2,0,0,0,0|1,0,1]=4 5030 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,2,0,0,0,0|2,0,0]=4 5031 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,2,0,0,0,0|2,0,0]=4 5032 B11R0.111 CCC(C)OCCOCC(C)C 34a_100000703358_100011215416 [0,2,0,0,0,0|2,0,0]=4 5033 B11R0.111 CCC(C)OCCOCC(C)C 7a_100000703358_100000758301 [0,2,0,0,0,0|2,0,0]=4 5034 B11R0.111 CCC(C)OCCOCC(F)F 34a_100000704375_100011215416 [0,2,0,0,0,0|2,0,0]=4 5035 B11R0.111 CCC(C)OCCOCC(F)F 7a_100000210228_200012177212 [0,2,0,0,0,0|2,0,0]=4 5036 B11R0.111 CCC(C)OCCOCC(F)F 7a_100000704375_100000758301 [0,2,0,0,0,0|2,0,0]=4 5037 B11R0.111 C[C@@H](CN)CCCOC[C@@H](C)O 34a_100160569302_100009817552 [0,2,0,0,0,0|2,0,0]=4 5038 B11R0.111 C[C@H](CO)NCCOCC(=O)O 269956a_100000700818_100016084084 [0,2,0,0,0,0|1,0,1]=4 5039 B11R0.111 C[C@H](CO)NCCOCC(F)F 2230a_100000737577_200012177212 [0,2,0,0,0,0|2,0,0]=4 5040 B11R0.111 C[C@H](CO)SCCOCC(F)F 62a_100016084084_200012177212 [0,2,0,0,0,0|1,1,0]=4 5041 B11R0.111 C[C@H](CO)SCCOCC(F)F 62a_200012177212_100016084084 [0,2,0,0,0,0|1,1,0]=4 5042 B11R0.147 C#CCOC(C)COCC(C)O 34a_200000093152_100011218427 [0,2,0,0,0,0|1,0,1]=4 5043 B11R0.147 C#CCOC(C)COCC(C)O 7a_200000093152_100011218427 [0,2,0,0,0,0|1,0,1]=4 5044 B11R0.147 C#CCOC(C)COC[C@@H](C)O 34a_200000093152_100009817552 [0,2,0,0,0,0|1,0,1]=4 5045 B11R0.147 C#CCOC(C)COC[C@@H](C)O 7a_200000093152_100009817552 [0,2,0,0,0,0|1,0,1]=4 5046 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,2,0,0,0,0|2,0,0]=4 5047 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,2,0,0,0,0|2,0,0]=4 5048 B11R0.147 CC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218427 [0,2,0,0,0,0|2,0,0]=4 5049 B11R0.147 CC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218427 [0,2,0,0,0,0|2,0,0]=4 5050 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [0,2,0,0,0,0|2,0,0]=4 5051 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [0,2,0,0,0,0|2,0,0]=4 5052 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [0,2,0,0,0,0|2,0,0]=4 5053 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [0,2,0,0,0,0|2,0,0]=4 5054 B11R0.147 CCCC[C@H](N)COCC(C)O 34a_100011934283_100011218427 [0,2,0,0,0,0|2,0,0]=4 5055 B11R0.147 CCCC[C@H](N)COC[C@@H](C)O 34a_100011934283_100009817552 [0,2,0,0,0,0|2,0,0]=4 5056 B11R0.147 CCCOC(C)CNCC(C)O 2230a_100015185124_100011218427 [0,2,0,0,0,0|2,0,0]=4 5057 B11R0.147 CCCOC(C)CNCC(C)O 34a_100015185124_100011218427 [0,2,0,0,0,0|2,0,0]=4 5058 B11R0.147 CCCOC(C)CNC[C@@H](C)O 2230a_100015185124_100009817552 [0,2,0,0,0,0|2,0,0]=4 5059 B11R0.147 CCCOC(C)CNC[C@@H](C)O 34a_100015185124_100009817552 [0,2,0,0,0,0|2,0,0]=4 5060 B11R0.147 COCO[C@H](C)COCC(C)O 34a_100016172286_100011218427 [0,2,0,0,0,0|2,0,0]=4 5061 B11R0.147 COCO[C@H](C)COCC(C)O 7a_100016172286_100011218427 [0,2,0,0,0,0|2,0,0]=4 5062 B11R0.147 COCO[C@H](C)COC[C@@H](C)O 34a_100016172286_100009817552 [0,2,0,0,0,0|2,0,0]=4 5063 B11R0.147 COCO[C@H](C)COC[C@@H](C)O 7a_100016172286_100009817552 [0,2,0,0,0,0|2,0,0]=4 5064 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 2230a_100160569302_100009817552 [0,2,0,0,0,0|2,0,0]=4 5065 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 34a_100160569302_100009817552 [0,2,0,0,0,0|2,0,0]=4 5066 B11R0.148 C#CCCCCCOCC(C)O 34a_100000766912_100011218427 [0,2,0,0,0,0|2,0,0]=4 5067 B11R0.148 C#CCCCCCOCC(C)O 7a_100000766912_100011218427 [0,2,0,0,0,0|2,0,0]=4 5068 B11R0.148 C#CCCCCCOC[C@@H](C)O 34a_100000766912_100009817552 [0,2,0,0,0,0|2,0,0]=4 5069 B11R0.148 C#CCCCCCOC[C@@H](C)O 7a_100000766912_100009817552 [0,2,0,0,0,0|2,0,0]=4 5070 B11R0.148 C#CCCOCCOCC(C)C 34a_100000703358_100000688953 [0,2,0,0,0,0|2,0,0]=4 5071 B11R0.148 C#CCCOCCOCC(C)C 7a_100000703358_100000688953 [0,2,0,0,0,0|2,0,0]=4 5072 B11R0.148 C#CCCOCCOCC(F)F 34a_100000704375_100000688953 [0,2,0,0,0,0|2,0,0]=4 5073 B11R0.148 C#CCCOCCOCC(F)F 34a_100011215631_200012177212 [0,2,0,0,0,0|2,0,0]=4 5074 B11R0.148 C#CCCOCCOCC(F)F 7a_100000704375_100000688953 [0,2,0,0,0,0|2,0,0]=4 5075 B11R0.148 C#CCOCCOCCC(C)O 34a_100000054580_100012276601 [0,2,0,0,0,0|1,0,1]=4 5076 B11R0.148 C#CCOCCOCCC(C)O 7a_100000054580_100012276601 [0,2,0,0,0,0|1,0,1]=4 5077 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,2,0,0,0,0|2,0,0]=4 5078 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [0,2,0,0,0,0|2,0,0]=4 5079 B11R0.148 C=C(Br)CCOCCOCCO 34a_100009813270_100000692535 [0,2,0,0,0,0|1,0,0]=3 5080 B11R0.148 C=C(C)CCNCCOCCO 2230a_100000211614_100000730704 [0,2,0,0,0,0|2,0,0]=4 5081 B11R0.148 C=C(C)CCNCCOCCO 34a_100000211614_100000730704 [0,2,0,0,0,0|2,0,0]=4 5082 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,2,0,0,0,0|2,0,0]=4 5083 B11R0.148 C=C(C)CCOCCOCCBr 34a_100000692535_100000730704 [0,2,0,0,0,0|2,0,0]=4 5084 B11R0.148 C=C(C)CCOCCOCCBr 7a_100000692535_100000730704 [0,2,0,0,0,0|2,0,0]=4 5085 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,2,0,0,0,0|2,0,0]=4 5086 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,2,0,0,0,0|2,0,0]=4 5087 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,2,0,0,0,0|2,0,0]=4 5088 B11R0.148 C=C(C)CCOCCOCCCl 34a_100011215305_100000730704 [0,2,0,0,0,0|2,0,0]=4 5089 B11R0.148 C=C(C)CCOCCOCCCl 7a_100011215305_100000730704 [0,2,0,0,0,0|2,0,0]=4 5090 B11R0.148 C=C(C)CCOCCOCCF 34a_200015357709_100000730704 [0,2,0,0,0,0|2,0,0]=4 5091 B11R0.148 C=C(C)CCOCCOCCF 7a_200015357709_100000730704 [0,2,0,0,0,0|2,0,0]=4 5092 B11R0.148 C=C(C)CCOCCOCCI 34a_100012149058_100000730704 [0,2,0,0,0,0|2,0,0]=4 5093 B11R0.148 C=C(C)CCOCCOCCI 7a_100012149058_100000730704 [0,2,0,0,0,0|2,0,0]=4 5094 B11R0.148 C=C(C)CCOCCOCCN 34a_100000211614_100000730704 [0,2,0,0,0,0|2,0,0]=4 5095 B11R0.148 C=C(C)CCOCCOCCO 34a_100000764851_100000692535 [0,2,0,0,0,0|1,0,0]=3 5096 B11R0.148 C=C(C)CCSCCOCCO 62a_100000730704_100011215305 [0,2,0,0,0,0|1,1,0]=4 5097 B11R0.148 C=C(C)CCSCCOCCO 62a_100011215305_100000730704 [0,2,0,0,0,0|1,1,0]=4 5098 B11R0.148 C=C(C)COCCOCCOC 34a_100000210245_100000695917 [0,2,0,0,0,0|1,0,1]=4 5099 B11R0.148 C=C(C)COCCOCCOC 34a_100011215163_100000748629 [0,2,0,0,0,0|1,0,1]=4 5100 B11R0.148 C=C(C)COCCOCCOC 7a_100011215163_100000748629 [0,2,0,0,0,0|1,0,1]=4 5101 B11R0.148 C=C(F)COCCOCCOC 34a_100011215163_100009893438 [0,2,0,0,0,0|1,0,1]=4 5102 B11R0.148 C=C(F)COCCOCCOC 34a_200010262243_100000695917 [0,2,0,0,0,0|1,0,1]=4 5103 B11R0.148 C=C(F)COCCOCCOC 7a_100011215163_100000042424 [0,2,0,0,0,0|1,0,1]=4 5104 B11R0.148 C=CCCCCCOCC(C)O 34a_100011216702_100011218427 [0,2,0,0,0,0|2,0,0]=4 5105 B11R0.148 C=CCCCCCOCC(C)O 7a_100011216702_100011218427 [0,2,0,0,0,0|2,0,0]=4 5106 B11R0.148 C=CCCCCCOC[C@@H](C)O 34a_100011216702_100009817552 [0,2,0,0,0,0|2,0,0]=4 5107 B11R0.148 C=CCCCCCOC[C@@H](C)O 7a_100011216702_100009817552 [0,2,0,0,0,0|2,0,0]=4 5108 B11R0.148 C=CCCOCCOCC(C)C 34a_100000703358_100000754431 [0,2,0,0,0,0|2,0,0]=4 5109 B11R0.148 C=CCCOCCOCC(C)C 7a_100000703358_100000754431 [0,2,0,0,0,0|2,0,0]=4 5110 B11R0.148 C=CCCOCCOCC(F)F 34a_100000704375_100000754431 [0,2,0,0,0,0|2,0,0]=4 5111 B11R0.148 C=CCCOCCOCC(F)F 34a_100011205117_200012177212 [0,2,0,0,0,0|2,0,0]=4 5112 B11R0.148 C=CCCOCCOCC(F)F 7a_100000704375_100000754431 [0,2,0,0,0,0|2,0,0]=4 5113 B11R0.148 C=CCOCCOCCC(C)O 34a_100000037705_100012276601 [0,2,0,0,0,0|1,0,1]=4 5114 B11R0.148 C=CCOCCOCCC(C)O 7a_100000037705_100012276601 [0,2,0,0,0,0|1,0,1]=4 5115 B11R0.148 CC(=CCOCCOCCO)C 34a_100000753907_100000692535 [0,2,0,0,0,0|1,0,1]=4 5116 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,2,0,0,0,0|1,0,1]=4 5117 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,2,0,0,0,0|1,0,1]=4 5118 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,2,0,0,0,0|1,0,1]=4 5119 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,2,0,0,0,0|1,0,1]=4 5120 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,2,0,0,0,0|1,0,1]=4 5121 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,2,0,0,0,0|1,0,1]=4 5122 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,2,0,0,0,0|0,0,1]=3 5123 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,2,0,0,0,0|0,0,1]=3 5124 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,2,0,0,0,0|0,0,1]=3 5125 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,2,0,0,0,0|0,0,1]=3 5126 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,2,0,0,0,0|0,1,1]=4 5127 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,2,0,0,0,0|0,1,1]=4 5128 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,2,0,0,0,0|2,0,0]=4 5129 B11R0.148 CC(Br)CCOCCOCCO 34a_100009893172_100000692535 [0,2,0,0,0,0|1,0,0]=3 5130 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,2,0,0,0,0|2,0,0]=4 5131 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,2,0,0,0,0|2,0,0]=4 5132 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,2,0,0,0,0|2,0,0]=4 5133 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,2,0,0,0,0|2,0,0]=4 5134 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,2,0,0,0,0|2,0,0]=4 5135 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,2,0,0,0,0|2,0,0]=4 5136 B11R0.148 CC(C)CCNCCOCCO 2230a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 5137 B11R0.148 CC(C)CCNCCOCCO 269862a_100000211614_100000185833 [0,2,0,0,0,0|2,0,0]=4 5138 B11R0.148 CC(C)CCNCCOCCO 34a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 5139 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,2,0,0,0,0|2,0,0]=4 5140 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,2,0,0,0,0|2,0,0]=4 5141 B11R0.148 CC(C)CCOCCOCCBr 34a_100000692535_100000210312 [0,2,0,0,0,0|2,0,0]=4 5142 B11R0.148 CC(C)CCOCCOCCBr 7a_100000692535_100000210626 [0,2,0,0,0,0|2,0,0]=4 5143 B11R0.148 CC(C)CCOCCOCCCl 34a_100011215305_100000210312 [0,2,0,0,0,0|2,0,0]=4 5144 B11R0.148 CC(C)CCOCCOCCCl 7a_100011215305_100000210626 [0,2,0,0,0,0|2,0,0]=4 5145 B11R0.148 CC(C)CCOCCOCCF 34a_200015357709_100000210312 [0,2,0,0,0,0|2,0,0]=4 5146 B11R0.148 CC(C)CCOCCOCCF 7a_200015357709_100000210626 [0,2,0,0,0,0|2,0,0]=4 5147 B11R0.148 CC(C)CCOCCOCCI 34a_100012149058_100000210312 [0,2,0,0,0,0|2,0,0]=4 5148 B11R0.148 CC(C)CCOCCOCCI 7a_100012149058_100000210626 [0,2,0,0,0,0|2,0,0]=4 5149 B11R0.148 CC(C)CCOCCOCCN 34a_100000211614_100000210312 [0,2,0,0,0,0|2,0,0]=4 5150 B11R0.148 CC(C)CCOCCOCCO 34a_100000210254_100000692535 [0,2,0,0,0,0|1,0,0]=3 5151 B11R0.148 CC(C)CCOCCOCCO 7a_100000210254_100011215305 [0,2,0,0,0,0|1,0,0]=3 5152 B11R0.148 CC(C)CCSCCOCCO 62a_100000210312_100011215305 [0,2,0,0,0,0|1,1,0]=4 5153 B11R0.148 CC(C)CCSCCOCCO 62a_100011215305_100000210312 [0,2,0,0,0,0|1,1,0]=4 5154 B11R0.148 CC(C)CNCCOCCCO 34a_100015185251_100000230001 [0,2,0,0,0,0|2,0,0]=4 5155 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,2,0,0,0,0|2,0,0]=4 5156 B11R0.148 CC(C)COCCCNCCO 2230a_100000205972_100000211926 [0,2,0,0,0,0|2,0,0]=4 5157 B11R0.148 CC(C)COCCCNCCO 34a_100000205972_100000211926 [0,2,0,0,0,0|2,0,0]=4 5158 B11R0.148 CC(C)COCCOCCC#N 7a_100000703358_100000184422 [0,2,0,0,0,0|2,0,0]=4 5159 B11R0.148 CC(C)COCCOCCCF 34a_100000703358_100011934791 [0,2,0,0,0,0|2,0,0]=4 5160 B11R0.148 CC(C)COCCOCCCF 7a_100000703358_100011934791 [0,2,0,0,0,0|2,0,0]=4 5161 B11R0.148 CC(C)COCCOCCCO 34a_100000703358_100000230001 [0,2,0,0,0,0|1,0,0]=3 5162 B11R0.148 CC(C)COCCOCCCO 7a_100000703358_100011215043 [0,2,0,0,0,0|1,0,0]=3 5163 B11R0.148 CC(C)CSCCOCCCO 34a_200000230437_100000230001 [0,2,0,0,0,0|1,1,0]=4 5164 B11R0.148 CC(C)CSCCOCCCO 7a_200000230437_100011215043 [0,2,0,0,0,0|1,1,0]=4 5165 B11R0.148 CC(C)NCCCCOCCO 34a_100011521146_100000211926 [0,2,0,0,0,0|2,0,0]=4 5166 B11R0.148 CC(C)OCNCCOCCO 2230a_100000211614_100000709892 [0,2,0,0,0,0|2,0,0]=4 5167 B11R0.148 CC(C)OCNCCOCCO 34a_100000211614_100000709892 [0,2,0,0,0,0|2,0,0]=4 5168 B11R0.148 CC(C)OCOCCOCCBr 34a_100000692535_100000709892 [0,2,0,0,0,0|2,0,0]=4 5169 B11R0.148 CC(C)OCOCCOCCCl 34a_100011215305_100000709892 [0,2,0,0,0,0|2,0,0]=4 5170 B11R0.148 CC(C)OCOCCOCCF 34a_200015357709_100000709892 [0,2,0,0,0,0|2,0,0]=4 5171 B11R0.148 CC(C)OCOCCOCCI 34a_100012149058_100000709892 [0,2,0,0,0,0|2,0,0]=4 5172 B11R0.148 CC(C)OCOCCOCCN 34a_100000211614_100000709892 [0,2,0,0,0,0|2,0,0]=4 5173 B11R0.148 CC(C)OCSCCOCCO 62a_100000709892_100011215305 [0,2,0,0,0,0|1,1,0]=4 5174 B11R0.148 CC(C)OCSCCOCCO 62a_100011215305_100000709892 [0,2,0,0,0,0|1,1,0]=4 5175 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,2,0,0,0,0|2,0,0]=4 5176 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,2,0,0,0,0|2,0,0]=4 5177 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,2,0,0,0,0|2,0,0]=4 5178 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,2,0,0,0,0|2,0,0]=4 5179 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,2,0,0,0,0|2,0,0]=4 5180 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,2,0,0,0,0|2,0,0]=4 5181 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,2,0,0,0,0|2,0,0]=4 5182 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,2,0,0,0,0|2,0,0]=4 5183 B11R0.148 CC(O)CCNCCOCCO 2230a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 5184 B11R0.148 CC(O)CCNCCOCCO 2230a_200000755665_100011215305 [0,2,0,0,0,0|1,0,0]=3 5185 B11R0.148 CC(O)CCNCCOCCO 34a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 5186 B11R0.148 CC(O)CCNCCSCCO 2230a_100011219999_100012276601 [0,2,0,0,0,0|1,1,0]=4 5187 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,2,0,0,0,0|2,0,0]=4 5188 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,2,0,0,0,0|2,0,0]=4 5189 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,2,0,0,0,0|2,0,0]=4 5190 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,2,0,0,0,0|2,0,0]=4 5191 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,2,0,0,0,0|2,0,0]=4 5192 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,2,0,0,0,0|2,0,0]=4 5193 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,2,0,0,0,0|2,0,0]=4 5194 B11R0.148 CC(O)CCOCCOCCBr 34a_100000692535_100012276601 [0,2,0,0,0,0|1,0,0]=3 5195 B11R0.148 CC(O)CCOCCOCCBr 7a_100000692535_100012276601 [0,2,0,0,0,0|1,0,0]=3 5196 B11R0.148 CC(O)CCOCCOCCCl 34a_100011215305_100012276601 [0,2,0,0,0,0|1,0,0]=3 5197 B11R0.148 CC(O)CCOCCOCCCl 7a_100011215305_100012276601 [0,2,0,0,0,0|1,0,0]=3 5198 B11R0.148 CC(O)CCOCCOCCF 34a_200015357709_100012276601 [0,2,0,0,0,0|1,0,0]=3 5199 B11R0.148 CC(O)CCOCCOCCF 7a_200015357709_100012276601 [0,2,0,0,0,0|1,0,0]=3 5200 B11R0.148 CC(O)CCOCCOCCI 34a_100012149058_100012276601 [0,2,0,0,0,0|1,0,0]=3 5201 B11R0.148 CC(O)CCOCCOCCI 7a_100012149058_100012276601 [0,2,0,0,0,0|1,0,0]=3 5202 B11R0.148 CC(O)CCOCCOCCN 34a_100000211614_100012276601 [0,2,0,0,0,0|1,0,0]=3 5203 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,2,0,0,0,0|1,1,0]=4 5204 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,2,0,0,0,0|1,1,0]=4 5205 B11R0.148 CC(O)CCSCCOCCO 62a_100011215305_100012276601 [0,2,0,0,0,0|0,1,0]=3 5206 B11R0.148 CC(O)CCSCCOCCO 62a_100012276601_100011215305 [0,2,0,0,0,0|0,1,0]=3 5207 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,2,0,0,0,0|2,0,0]=4 5208 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,2,0,0,0,0|2,0,0]=4 5209 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,2,0,0,0,0|2,0,0]=4 5210 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,2,0,0,0,0|2,0,0]=4 5211 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,2,0,0,0,0|2,0,0]=4 5212 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,2,0,0,0,0|2,0,0]=4 5213 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,2,0,0,0,0|2,0,0]=4 5214 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,2,0,0,0,0|2,0,0]=4 5215 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,2,0,0,0,0|2,0,0]=4 5216 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,2,0,0,0,0|2,0,0]=4 5217 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,2,0,0,0,0|2,0,0]=4 5218 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,2,0,0,0,0|1,1,0]=4 5219 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,2,0,0,0,0|1,1,0]=4 5220 B11R0.148 CCCC#CCCOCC(C)O 34a_100000042726_100011218427 [0,2,0,0,0,0|2,0,0]=4 5221 B11R0.148 CCCC#CCCOCC(C)O 7a_100000042726_100011218427 [0,2,0,0,0,0|2,0,0]=4 5222 B11R0.148 CCCC#CCCOC[C@@H](C)O 34a_100000042726_100009817552 [0,2,0,0,0,0|2,0,0]=4 5223 B11R0.148 CCCC#CCCOC[C@@H](C)O 7a_100000042726_100009817552 [0,2,0,0,0,0|2,0,0]=4 5224 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,2,0,0,0,0|2,0,0]=4 5225 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,2,0,0,0,0|2,0,0]=4 5226 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,2,0,0,0,0|2,0,0]=4 5227 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,2,0,0,0,0|2,0,0]=4 5228 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,2,0,0,0,0|2,0,0]=4 5229 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,2,0,0,0,0|2,0,0]=4 5230 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,2,0,0,0,0|2,0,0]=4 5231 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,2,0,0,0,0|2,0,0]=4 5232 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [0,2,0,0,0,0|2,0,0]=4 5233 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [0,2,0,0,0,0|2,0,0]=4 5234 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [0,2,0,0,0,0|2,0,0]=4 5235 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [0,2,0,0,0,0|2,0,0]=4 5236 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [0,2,0,0,0,0|2,0,0]=4 5237 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [0,2,0,0,0,0|2,0,0]=4 5238 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [0,2,0,0,0,0|2,0,0]=4 5239 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,2,0,0,0,0|1,0,0]=3 5240 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,2,0,0,0,0|1,0,0]=3 5241 B11R0.148 CCCCOCCOCC(F)F 34a_100000210227_200012177212 [0,2,0,0,0,0|2,0,0]=4 5242 B11R0.148 CCCCOCCOCC(F)F 34a_100000210238_100011934356 [0,2,0,0,0,0|2,0,0]=4 5243 B11R0.148 CCCCOCCOCC(F)F 34a_100000704375_100000210210 [0,2,0,0,0,0|2,0,0]=4 5244 B11R0.148 CCCCOCCOCC(F)F 34a_100000743014_100000743108 [0,2,0,0,0,0|2,0,0]=4 5245 B11R0.148 CCCCOCCOCC(F)F 7a_100000210227_200012177212 [0,2,0,0,0,0|2,0,0]=4 5246 B11R0.148 CCCCOCCOCC(F)F 7a_100000210238_100011934356 [0,2,0,0,0,0|2,0,0]=4 5247 B11R0.148 CCCCOCCOCC(F)F 7a_100000704375_100000210211 [0,2,0,0,0,0|2,0,0]=4 5248 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [0,2,0,0,0,0|2,0,0]=4 5249 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [0,2,0,0,0,0|2,0,0]=4 5250 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,2,0,0,0,0|1,0,0]=3 5251 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,2,0,0,0,0|1,0,0]=3 5252 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,2,0,0,0,0|1,1,0]=4 5253 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,2,0,0,0,0|1,1,0]=4 5254 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,2,0,0,0,0|1,1,0]=4 5255 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,2,0,0,0,0|1,1,0]=4 5256 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,2,0,0,0,0|1,1,0]=4 5257 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,2,0,0,0,0|1,1,0]=4 5258 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,2,0,0,0,0|1,1,0]=4 5259 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,2,0,0,0,0|1,1,0]=4 5260 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,2,0,0,0,0|2,0,0]=4 5261 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,2,0,0,0,0|2,0,0]=4 5262 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,2,0,0,0,0|2,0,0]=4 5263 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,2,0,0,0,0|2,0,0]=4 5264 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,2,0,0,0,0|2,0,0]=4 5265 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,2,0,0,0,0|2,0,0]=4 5266 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,2,0,0,0,0|2,0,0]=4 5267 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,2,0,0,0,0|2,0,0]=4 5268 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,2,0,0,0,0|1,0,1]=4 5269 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,2,0,0,0,0|1,0,1]=4 5270 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,2,0,0,0,0|1,0,1]=4 5271 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,2,0,0,0,0|1,0,1]=4 5272 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,2,0,0,0,0|1,0,1]=4 5273 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,2,0,0,0,0|1,0,1]=4 5274 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,2,0,0,0,0|1,0,1]=4 5275 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,2,0,0,0,0|1,0,1]=4 5276 B11R0.148 CCCOCCOCCC(C)Br 34a_100009893172_100011215938 [0,2,0,0,0,0|2,0,0]=4 5277 B11R0.148 CCCOCCOCCC(C)C 34a_100000210254_100011215938 [0,2,0,0,0,0|2,0,0]=4 5278 B11R0.148 CCCOCCOCCC(C)C 34a_100000752267_100000210312 [0,2,0,0,0,0|2,0,0]=4 5279 B11R0.148 CCCOCCOCCC(C)C 7a_100000210254_100011215938 [0,2,0,0,0,0|2,0,0]=4 5280 B11R0.148 CCCOCCOCCC(C)C 7a_100000752267_100000210626 [0,2,0,0,0,0|2,0,0]=4 5281 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,2,0,0,0,0|1,0,0]=3 5282 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,2,0,0,0,0|1,0,0]=3 5283 B11R0.148 CCCOCCOCCC(F)F 34a_100103093639_100011215938 [0,2,0,0,0,0|2,0,0]=4 5284 B11R0.148 CCCOCCOCCN(C)C 7a_100000752267_100000755713 [0,2,0,0,0,0|2,0,0]=4 5285 B11R0.148 CCCOCCOCC[C@@H](C)N 34a_100000706166_100011215938 [0,2,0,0,0,0|2,0,0]=4 5286 B11R0.148 CCCOCCOCOC(C)C 34a_100000752267_100000709892 [0,2,0,0,0,0|2,0,0]=4 5287 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,2,0,0,0,0|1,1,0]=4 5288 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,2,0,0,0,0|1,1,0]=4 5289 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,2,0,0,0,0|1,1,0]=4 5290 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,2,0,0,0,0|1,1,0]=4 5291 B11R0.148 CN(C)CCOCCOCCBr 7a_100000692535_100000755713 [0,2,0,0,0,0|2,0,0]=4 5292 B11R0.148 CN(C)CCOCCOCCCl 7a_100011215305_100000755713 [0,2,0,0,0,0|2,0,0]=4 5293 B11R0.148 CN(C)CCOCCOCCF 7a_200015357709_100000755713 [0,2,0,0,0,0|2,0,0]=4 5294 B11R0.148 CN(C)CCOCCOCCI 7a_100012149058_100000755713 [0,2,0,0,0,0|2,0,0]=4 5295 B11R0.148 CN(C)CCOCCOCCO 2230a_100102631434_100000032323 [0,2,0,0,0,0|1,0,0]=3 5296 B11R0.148 CN(C)CCOCCOCCO 2230a_200014138305_200000210301 [0,2,0,0,0,0|1,0,0]=3 5297 B11R0.148 CN(C)CCOCCOCCO 269982a_100102631434_100000032323 [0,2,0,0,0,0|1,0,0]=3 5298 B11R0.148 CN(C)CCOCCOCCO 269982a_200014138305_200000210301 [0,2,0,0,0,0|1,0,0]=3 5299 B11R0.148 CN(C)CCOCCOCCO 34a_200014138305_200000210301 [0,2,0,0,0,0|1,0,0]=3 5300 B11R0.148 CN(C)CCSCCOCCO 62a_100011215305_100000755713 [0,2,0,0,0,0|1,1,0]=4 5301 B11R0.148 CN([13CH3])CCOCCOCCO 2230a_200014138305_200025704644 [0,2,0,0,0,0|1,0,0]=3 5302 B11R0.148 CN([13CH3])CCOCCOCCO 269982a_200014138305_200025704644 [0,2,0,0,0,0|1,0,0]=3 5303 B11R0.148 CN([13CH3])CCOCCOCCO 34a_200014138305_200025704644 [0,2,0,0,0,0|1,0,0]=3 5304 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,2,0,0,0,0|2,0,0]=4 5305 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,2,0,0,0,0|2,0,0]=4 5306 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,2,0,0,0,0|1,0,1]=4 5307 B11R0.148 CNCCOCCOCC(C)C 34a_100000228057_100000210624 [0,2,0,0,0,0|2,0,0]=4 5308 B11R0.148 CNCCOCCOCC(C)O 34a_100000228057_100011218427 [0,2,0,0,0,0|1,0,0]=3 5309 B11R0.148 CNCCOCCOCC(F)F 34a_100000228057_100011934356 [0,2,0,0,0,0|2,0,0]=4 5310 B11R0.148 CNCCOCCOC[C@@H](C)O 34a_100000228057_100009817552 [0,2,0,0,0,0|1,0,0]=3 5311 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,2,0,0,0,0|2,0,0]=4 5312 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,2,0,0,0,0|2,0,0]=4 5313 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,2,0,0,0,0|2,0,0]=4 5314 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,2,0,0,0,0|2,0,0]=4 5315 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,2,0,0,0,0|1,0,1]=4 5316 B11R0.148 COCCNCCOCC(F)F 2230a_100000209980_200012177212 [0,2,0,0,0,0|2,0,0]=4 5317 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [0,2,0,0,0,0|2,0,0]=4 5318 B11R0.148 COCCOCCCCC(C)C 34a_100000210237_100011216152 [0,2,0,0,0,0|2,0,0]=4 5319 B11R0.148 COCCOCCCCC(C)C 34a_100011214890_100011201679 [0,2,0,0,0,0|2,0,0]=4 5320 B11R0.148 COCCOCCCCC(C)C 7a_100011214890_100000233755 [0,2,0,0,0,0|2,0,0]=4 5321 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,2,0,0,0,0|1,0,1]=4 5322 B11R0.148 COCCOCCNCC(C)C 2230a_100000210953_100000695917 [0,2,0,0,0,0|2,0,0]=4 5323 B11R0.148 COCCOCCNCC(C)C 2230a_100000745349_100000210760 [0,2,0,0,0,0|2,0,0]=4 5324 B11R0.148 COCCOCCNCC(C)C 270004a_100000745349_100000210432 [0,2,0,0,0,0|2,0,0]=4 5325 B11R0.148 COCCOCCNCC(C)C 34a_100000210953_100000695917 [0,2,0,0,0,0|2,0,0]=4 5326 B11R0.148 COCCOCCNCC(C)C 34a_100000745349_100000210624 [0,2,0,0,0,0|2,0,0]=4 5327 B11R0.148 COCCOCCNCC(C)C 34a_100015185251_100011201679 [0,2,0,0,0,0|2,0,0]=4 5328 B11R0.148 COCCOCCNCC(C)O 2230a_100000210904_100000695917 [0,2,0,0,0,0|1,0,0]=3 5329 B11R0.148 COCCOCCNCC(C)O 2230a_100000745349_100011218427 [0,2,0,0,0,0|1,0,0]=3 5330 B11R0.148 COCCOCCNCC(C)O 34a_100000210904_100000695917 [0,2,0,0,0,0|1,0,0]=3 5331 B11R0.148 COCCOCCNCC(C)O 34a_100000745349_100011218427 [0,2,0,0,0,0|1,0,0]=3 5332 B11R0.148 COCCOCCNCC(F)F 2230a_100000745349_100011934356 [0,2,0,0,0,0|2,0,0]=4 5333 B11R0.148 COCCOCCNCC(F)F 34a_100000745349_100011934356 [0,2,0,0,0,0|2,0,0]=4 5334 B11R0.148 COCCOCCNCC(F)F 34a_100000765723_100000695917 [0,2,0,0,0,0|2,0,0]=4 5335 B11R0.148 COCCOCCNC[C@@H](C)O 2230a_100000745349_100009817552 [0,2,0,0,0,0|1,0,0]=3 5336 B11R0.148 COCCOCCNC[C@@H](C)O 34a_100000745349_100009817552 [0,2,0,0,0,0|1,0,0]=3 5337 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,2,0,0,0,0|0,0,2]=4 5338 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,2,0,0,0,0|0,0,2]=4 5339 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [0,2,0,0,0,0|0,0,2]=4 5340 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [0,2,0,0,0,0|0,0,2]=4 5341 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [0,2,0,0,0,0|0,0,2]=4 5342 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,2,0,0,0,0|0,0,2]=4 5343 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [0,2,0,0,0,0|0,0,2]=4 5344 B11R0.148 COCCOCCOCC(C)Br 34a_100012180447_100000695917 [0,2,0,0,0,0|1,0,0]=3 5345 B11R0.148 COCCOCCOCC(C)C 34a_100000210257_100000695917 [0,2,0,0,0,0|1,0,0]=3 5346 B11R0.148 COCCOCCOCC(C)C 34a_100000703358_100011201679 [0,2,0,0,0,0|1,0,0]=3 5347 B11R0.148 COCCOCCOCC(C)C 34a_100011215163_100000210624 [0,2,0,0,0,0|1,0,0]=3 5348 B11R0.148 COCCOCCOCC(C)C 7a_100000703358_100000233755 [0,2,0,0,0,0|1,0,0]=3 5349 B11R0.148 COCCOCCOCC(C)C 7a_100011215163_100000210760 [0,2,0,0,0,0|1,0,0]=3 5350 B11R0.148 COCCOCCOCC(C)F 34a_100015925927_100000695917 [0,2,0,0,0,0|1,0,0]=3 5351 B11R0.148 COCCOCCOCC(C)O 34a_100011215163_100011218427 [0,2,0,0,0,0|0,0,0]=2 5352 B11R0.148 COCCOCCOCC(C)O 7a_100011215163_100011218427 [0,2,0,0,0,0|0,0,0]=2 5353 B11R0.148 COCCOCCOCC(F)F 34a_100000210237_200012177212 [0,2,0,0,0,0|1,0,0]=3 5354 B11R0.148 COCCOCCOCC(F)F 34a_100000704375_100011201679 [0,2,0,0,0,0|1,0,0]=3 5355 B11R0.148 COCCOCCOCC(F)F 34a_100000743014_100000695917 [0,2,0,0,0,0|1,0,0]=3 5356 B11R0.148 COCCOCCOCC(F)F 34a_100010782186_200000210301 [0,2,0,0,0,0|1,0,0]=3 5357 B11R0.148 COCCOCCOCC(F)F 34a_100011215163_100011934356 [0,2,0,0,0,0|1,0,0]=3 5358 B11R0.148 COCCOCCOCC(F)F 7a_100000704375_100000233755 [0,2,0,0,0,0|1,0,0]=3 5359 B11R0.148 COCCOCCOCC(F)F 7a_100010782186_200000210301 [0,2,0,0,0,0|1,0,0]=3 5360 B11R0.148 COCCOCCOCC(F)F 7a_100011215163_100011934356 [0,2,0,0,0,0|1,0,0]=3 5361 B11R0.148 COCCOCCOC[C@@H](C)Cl 34a_100016084084_100000695917 [0,2,0,0,0,0|1,0,0]=3 5362 B11R0.148 COCCOCCOC[C@@H](C)N 34a_100000737577_100000695917 [0,2,0,0,0,0|1,0,0]=3 5363 B11R0.148 COCCOCCOC[C@@H](C)O 34a_100011215163_100009817552 [0,2,0,0,0,0|0,0,0]=2 5364 B11R0.148 COCCOCCOC[C@@H](C)O 7a_100011215163_100009817552 [0,2,0,0,0,0|0,0,0]=2 5365 B11R0.148 COCCOCCOC[N+](=O)[O-] 34a_100011215163_100000761209 [0,2,0,0,0,0|1,0,1]=4 5366 B11R0.148 COCCOCCSCC(C)C 34a_200000230437_100011201679 [0,2,0,0,0,0|1,1,0]=4 5367 B11R0.148 COCCOCCSCC(C)C 62a_100000210624_100000695917 [0,2,0,0,0,0|1,1,0]=4 5368 B11R0.148 COCCOCCSCC(C)C 62a_100000695917_100000210760 [0,2,0,0,0,0|1,1,0]=4 5369 B11R0.148 COCCOCCSCC(C)C 7a_200000230437_100000233755 [0,2,0,0,0,0|1,1,0]=4 5370 B11R0.148 COCCOCCSCC(C)O 62a_100000695917_100011218427 [0,2,0,0,0,0|0,1,0]=3 5371 B11R0.148 COCCOCCSCC(C)O 62a_100011218427_100000695917 [0,2,0,0,0,0|0,1,0]=3 5372 B11R0.148 COCCOCCSCC(F)F 62a_100000695917_100011934356 [0,2,0,0,0,0|1,1,0]=4 5373 B11R0.148 COCCOCCSCC(F)F 62a_100011934356_100000695917 [0,2,0,0,0,0|1,1,0]=4 5374 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100000695917_100009817552 [0,2,0,0,0,0|0,1,0]=3 5375 B11R0.148 COCCOCCSC[C@@H](C)O 62a_100009817552_100000695917 [0,2,0,0,0,0|0,1,0]=3 5376 B11R0.148 COCCOCNCCC(C)O 2230a_200000755665_100000231047 [0,2,0,0,0,0|2,0,0]=4 5377 B11R0.148 COCCOCNOCC(=O)O 269956a_100000106656_100000231047 [0,2,0,0,0,0|1,0,1]=4 5378 B11R0.148 COCCOCSCCC(C)O 62a_100000231047_100012276601 [0,2,0,0,0,0|2,0,0]=4 5379 B11R0.148 COCCOCSCCC(C)O 62a_100012276601_100000231047 [0,2,0,0,0,0|2,0,0]=4 5380 B11R0.148 COCCSCCOCC(F)F 62a_100000233755_200012177212 [0,2,0,0,0,0|1,1,0]=4 5381 B11R0.148 COCCSCCOCC(F)F 62a_200012177212_100000233755 [0,2,0,0,0,0|1,1,0]=4 5382 B11R0.148 CSCCOCCOCC(C)C 34a_100000703358_100000212216 [0,2,0,0,0,0|1,1,0]=4 5383 B11R0.148 CSCCOCCOCC(C)C 7a_100000703358_100000212216 [0,2,0,0,0,0|1,1,0]=4 5384 B11R0.148 CSCCOCCOCC(F)F 34a_100000230434_200012177212 [0,2,0,0,0,0|1,1,0]=4 5385 B11R0.148 CSCCOCCOCC(F)F 34a_100000704375_100000212216 [0,2,0,0,0,0|1,1,0]=4 5386 B11R0.148 CSCCOCCOCC(F)F 7a_100000230434_200012177212 [0,2,0,0,0,0|1,1,0]=4 5387 B11R0.148 CSCCOCCOCC(F)F 7a_100000704375_100000212216 [0,2,0,0,0,0|1,1,0]=4 5388 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,2,0,0,0,0|2,0,0]=4 5389 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,2,0,0,0,0|2,0,0]=4 5390 B11R0.148 C[C@@H](N)CCOCCOCCO 34a_100000706166_100000692535 [0,2,0,0,0,0|1,0,0]=3 5391 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,2,0,0,0,0|2,0,0]=4 5392 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,2,0,0,0,0|2,0,0]=4 5393 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,2,0,0,0,0|2,0,0]=4 5394 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,2,0,0,0,0|2,0,0]=4 5395 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,2,0,0,0,0|2,0,0]=4 5396 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,2,0,0,0,0|2,0,0]=4 5397 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,2,0,0,0,0|2,0,0]=4 5398 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,2,0,0,0,0|2,0,0]=4 5399 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,2,0,0,0,0|2,0,0]=4 5400 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,2,0,0,0,0|2,0,0]=4 5401 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,2,0,0,0,0|1,1,0]=4 5402 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,2,0,0,0,0|1,1,0]=4 5403 B11R0.148 FC(F)COCCOCCCBr 34a_100011217188_200012177212 [0,2,0,0,0,0|2,0,0]=4 5404 B11R0.148 FC(F)COCCOCCCCl 34a_100000230001_200012177212 [0,2,0,0,0,0|2,0,0]=4 5405 B11R0.148 FCCCOCCOCC(F)F 34a_100000704375_100011934791 [0,2,0,0,0,0|2,0,0]=4 5406 B11R0.148 FCCCOCCOCC(F)F 34a_100000759539_200012177212 [0,2,0,0,0,0|2,0,0]=4 5407 B11R0.148 FCCCOCCOCC(F)F 7a_100000704375_100011934791 [0,2,0,0,0,0|2,0,0]=4 5408 B11R0.148 N#CCCOCCOCC(F)F 7a_100000704375_100000184422 [0,2,0,0,0,0|2,0,0]=4 5409 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,2,0,0,0,0|1,0,1]=4 5410 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,2,0,0,0,0|1,0,1]=4 5411 B11R0.148 NC(=O)CCNCCOCCO 2230a_100000211614_100000744528 [0,2,0,0,0,0|1,0,1]=4 5412 B11R0.148 NC(=O)CCNCCOCCO 34a_100000211614_100000731001 [0,2,0,0,0,0|1,0,1]=4 5413 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,2,0,0,0,0|1,0,1]=4 5414 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,2,0,0,0,0|1,0,1]=4 5415 B11R0.148 NC(=O)CCOCCOCCBr 34a_100000692535_100000731001 [0,2,0,0,0,0|1,0,1]=4 5416 B11R0.148 NC(=O)CCOCCOCCBr 7a_100000692535_100000744528 [0,2,0,0,0,0|1,0,1]=4 5417 B11R0.148 NC(=O)CCOCCOCCCl 34a_100011215305_100000731001 [0,2,0,0,0,0|1,0,1]=4 5418 B11R0.148 NC(=O)CCOCCOCCCl 7a_100011215305_100000744528 [0,2,0,0,0,0|1,0,1]=4 5419 B11R0.148 NC(=O)CCOCCOCCF 34a_200015357709_100000731001 [0,2,0,0,0,0|1,0,1]=4 5420 B11R0.148 NC(=O)CCOCCOCCF 7a_200015357709_100000744528 [0,2,0,0,0,0|1,0,1]=4 5421 B11R0.148 NC(=O)CCOCCOCCI 34a_100012149058_100000731001 [0,2,0,0,0,0|1,0,1]=4 5422 B11R0.148 NC(=O)CCOCCOCCI 7a_100012149058_100000744528 [0,2,0,0,0,0|1,0,1]=4 5423 B11R0.148 NC(=O)CCOCCOCCO 34a_100000757172_100000692535 [0,2,0,0,0,0|0,0,1]=3 5424 B11R0.148 NC(=O)CCOCCOCCO 7a_100000757172_100011215305 [0,2,0,0,0,0|0,0,1]=3 5425 B11R0.148 NC(=O)CCSCCOCCO 62a_100000744528_100011215305 [0,2,0,0,0,0|0,1,1]=4 5426 B11R0.148 NC(=O)CCSCCOCCO 62a_100011215305_100000744528 [0,2,0,0,0,0|0,1,1]=4 5427 B11R0.148 NCCCOCCOCC(F)F 34a_100000182051_200012177212 [0,2,0,0,0,0|2,0,0]=4 5428 B11R0.148 NCCOCCCCCB(O)O 34a_100000210304_200009817188 [0,2,0,0,0,0|2,0,0]=4 5429 B11R0.148 NCCOCCOCCC(=O)N 34a_100000211614_100000731001 [0,2,0,0,0,0|1,0,1]=4 5430 B11R0.148 NOCCOCCCCB(O)O 34a_100000700252_200009817182 [0,2,0,0,0,0|2,0,0]=4 5431 B11R0.148 NOCCOCCOCC(=O)N 34a_100000700252_100000076697 [0,2,0,0,0,0|0,0,2]=4 5432 B11R0.148 NOCCOCCOCC(F)F 34a_100000700252_200012177212 [0,2,0,0,0,0|1,0,0]=3 5433 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,2,0,0,0,0|1,0,1]=4 5434 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,2,0,0,0,0|1,0,1]=4 5435 B11R0.148 O=C(O)CONCCOCCO 269956a_100000106656_100011215305 [0,2,0,0,0,0|0,0,1]=3 5436 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,2,0,0,0,0|1,0,1]=4 5437 B11R0.148 OB(O)CCCCCOCCBr 34a_100000211926_200009817188 [0,2,0,0,0,0|2,0,0]=4 5438 B11R0.148 OCCCCCCOCC(F)F 34a_100000743014_100000766143 [0,2,0,0,0,0|2,0,0]=4 5439 B11R0.148 OCCCCCOCCC(F)F 34a_100103093639_100000746330 [0,2,0,0,0,0|2,0,0]=4 5440 B11R0.148 OCCCOCCOCC(F)F 34a_100000704375_100000230001 [0,2,0,0,0,0|1,0,0]=3 5441 B11R0.148 OCCCOCCOCC(F)F 7a_100000704375_100011215043 [0,2,0,0,0,0|1,0,0]=3 5442 B11R0.148 OCCCSCCOCC(F)F 62a_100011215043_200012177212 [0,2,0,0,0,0|1,1,0]=4 5443 B11R0.148 OCCCSCCOCC(F)F 62a_200012177212_100011215043 [0,2,0,0,0,0|1,1,0]=4 5444 B11R0.148 OCCNCCCCCB(O)O 2230a_100016997473_200009817188 [0,2,0,0,0,0|2,0,0]=4 5445 B11R0.148 OCCNCCCCCB(O)O 34a_100016990907_200009817188 [0,2,0,0,0,0|2,0,0]=4 5446 B11R0.148 OCCOCCOCCC(F)F 34a_100103093639_100000692535 [0,2,0,0,0,0|1,0,0]=3 5447 B11R0.148 OCCSCCCCCB(O)O 62a_100000211926_200009817188 [0,2,0,0,0,0|1,1,0]=4 5448 B11R0.148 OCCSCCCCCB(O)O 62a_200009817188_100000211926 [0,2,0,0,0,0|1,1,0]=4 5449 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,2,0,0,0,0|0,0,1]=3 5450 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,2,0,0,0,0|1,0,1]=4 5451 B11R0.148 [13CH3]OCCOCCOCC(F)F 34a_100010782186_200025704644 [0,2,0,0,0,0|1,0,0]=3 5452 B11R0.148 [13CH3]OCCOCCOCC(F)F 7a_100010782186_200025704644 [0,2,0,0,0,0|1,0,0]=3 5453 B11R0.159 C#CCOCCOCC(C)(C)O 34a_100000054580_100000764493 [0,2,0,0,0,0|1,0,1]=4 5454 B11R0.159 C#CCOCCOCC(C)(C)O 7a_100000054580_100000764493 [0,2,0,0,0,0|1,0,1]=4 5455 B11R0.159 C=CCOCCOCC(C)(C)O 34a_100000037705_100000764493 [0,2,0,0,0,0|1,0,1]=4 5456 B11R0.159 C=CCOCCOCC(C)(C)O 7a_100000037705_100000764493 [0,2,0,0,0,0|1,0,1]=4 5457 B11R0.159 CC(C)(C)CNCCOCCO 2230a_100000743828_100011215305 [0,2,0,0,0,0|2,0,0]=4 5458 B11R0.159 CC(C)(C)CNCCOCCO 270004a_100000211614_100011204126 [0,2,0,0,0,0|2,0,0]=4 5459 B11R0.159 CC(C)(C)CNCCOCCO 34a_100000211614_100011219605 [0,2,0,0,0,0|2,0,0]=4 5460 B11R0.159 CC(C)(C)COCCOCCBr 34a_100000692535_100011219605 [0,2,0,0,0,0|2,0,0]=4 5461 B11R0.159 CC(C)(C)COCCOCCCl 34a_100011215305_100011219605 [0,2,0,0,0,0|2,0,0]=4 5462 B11R0.159 CC(C)(C)COCCOCCF 34a_200015357709_100011219605 [0,2,0,0,0,0|2,0,0]=4 5463 B11R0.159 CC(C)(C)COCCOCCI 34a_100012149058_100011219605 [0,2,0,0,0,0|2,0,0]=4 5464 B11R0.159 CC(C)(C)COCCOCCN 34a_100000211614_100011219605 [0,2,0,0,0,0|2,0,0]=4 5465 B11R0.159 CC(C)(C)CSCCOCCO 62a_100011215305_100011219605 [0,2,0,0,0,0|1,1,0]=4 5466 B11R0.159 CC(C)(C)CSCCOCCO 62a_100011219605_100011215305 [0,2,0,0,0,0|1,1,0]=4 5467 B11R0.159 CC(C)(F)CNCCOCCO 2230a_100020643315_100011215305 [0,2,0,0,0,0|2,0,0]=4 5468 B11R0.159 CC(C)(F)CNCCOCCO 34a_100000211614_100011997219 [0,2,0,0,0,0|2,0,0]=4 5469 B11R0.159 CC(C)(F)COCCCCCO 34a_100000716592_100000746330 [0,2,0,0,0,0|2,0,0]=4 5470 B11R0.159 CC(C)(F)COCCOCCBr 34a_100000692535_100011997219 [0,2,0,0,0,0|2,0,0]=4 5471 B11R0.159 CC(C)(F)COCCOCCCl 34a_100011215305_100011997219 [0,2,0,0,0,0|2,0,0]=4 5472 B11R0.159 CC(C)(F)COCCOCCF 34a_200015357709_100011997219 [0,2,0,0,0,0|2,0,0]=4 5473 B11R0.159 CC(C)(F)COCCOCCI 34a_100012149058_100011997219 [0,2,0,0,0,0|2,0,0]=4 5474 B11R0.159 CC(C)(F)COCCOCCN 34a_100000211614_100011997219 [0,2,0,0,0,0|2,0,0]=4 5475 B11R0.159 CC(C)(F)COCCOCCO 34a_100000716592_100000692535 [0,2,0,0,0,0|1,0,0]=3 5476 B11R0.159 CC(C)(F)CSCCOCCO 62a_100011215305_100011997219 [0,2,0,0,0,0|1,1,0]=4 5477 B11R0.159 CC(C)(F)CSCCOCCO 62a_100011997219_100011215305 [0,2,0,0,0,0|1,1,0]=4 5478 B11R0.159 CC(C)(O)CNCCCCCO 2230a_100000751335_100000746330 [0,2,0,0,0,0|2,0,0]=4 5479 B11R0.159 CC(C)(O)CNCCCCCO 34a_100000762737_100000764493 [0,2,0,0,0,0|2,0,0]=4 5480 B11R0.159 CC(C)(O)CNCCOCCO 2230a_100000751335_100011215305 [0,2,0,0,0,0|1,0,0]=3 5481 B11R0.159 CC(C)(O)CNCCOCCO 34a_100000211614_100000764493 [0,2,0,0,0,0|1,0,0]=3 5482 B11R0.159 CC(C)(O)COCCCCCBr 34a_100000746331_100000764493 [0,2,0,0,0,0|2,0,0]=4 5483 B11R0.159 CC(C)(O)COCCCCCBr 7a_100000746331_100000764493 [0,2,0,0,0,0|2,0,0]=4 5484 B11R0.159 CC(C)(O)COCCCCCCl 34a_100000746330_100000764493 [0,2,0,0,0,0|2,0,0]=4 5485 B11R0.159 CC(C)(O)COCCCCCCl 7a_100000746330_100000764493 [0,2,0,0,0,0|2,0,0]=4 5486 B11R0.159 CC(C)(O)COCCCCCI 34a_200012148887_100000764493 [0,2,0,0,0,0|2,0,0]=4 5487 B11R0.159 CC(C)(O)COCCCCCI 7a_200012148887_100000764493 [0,2,0,0,0,0|2,0,0]=4 5488 B11R0.159 CC(C)(O)COCCCCCN 34a_100000762737_100000764493 [0,2,0,0,0,0|2,0,0]=4 5489 B11R0.159 CC(C)(O)COCCOCCBr 34a_100000692535_100000764493 [0,2,0,0,0,0|1,0,0]=3 5490 B11R0.159 CC(C)(O)COCCOCCBr 7a_100000692535_100000764493 [0,2,0,0,0,0|1,0,0]=3 5491 B11R0.159 CC(C)(O)COCCOCCCl 34a_100011215305_100000764493 [0,2,0,0,0,0|1,0,0]=3 5492 B11R0.159 CC(C)(O)COCCOCCCl 7a_100011215305_100000764493 [0,2,0,0,0,0|1,0,0]=3 5493 B11R0.159 CC(C)(O)COCCOCCF 34a_200015357709_100000764493 [0,2,0,0,0,0|1,0,0]=3 5494 B11R0.159 CC(C)(O)COCCOCCF 7a_200015357709_100000764493 [0,2,0,0,0,0|1,0,0]=3 5495 B11R0.159 CC(C)(O)COCCOCCI 34a_100012149058_100000764493 [0,2,0,0,0,0|1,0,0]=3 5496 B11R0.159 CC(C)(O)COCCOCCI 7a_100012149058_100000764493 [0,2,0,0,0,0|1,0,0]=3 5497 B11R0.159 CC(C)(O)COCCOCCN 34a_100000211614_100000764493 [0,2,0,0,0,0|1,0,0]=3 5498 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000746330_100000764493 [0,2,0,0,0,0|1,1,0]=4 5499 B11R0.159 CC(C)(O)CSCCCCCO 62a_100000764493_100000746330 [0,2,0,0,0,0|1,1,0]=4 5500 B11R0.159 CC(C)(O)CSCCOCCO 62a_100000764493_100011215305 [0,2,0,0,0,0|0,1,0]=3 5501 B11R0.159 CC(C)(O)CSCCOCCO 62a_100011215305_100000764493 [0,2,0,0,0,0|0,1,0]=3 5502 B11R0.159 CC(F)(F)COCCCCCO 34a_100000068830_100000746330 [0,2,0,0,0,0|2,0,0]=4 5503 B11R0.159 CC(F)(F)COCCOCCO 34a_100000068830_100000692535 [0,2,0,0,0,0|1,0,0]=3 5504 B11R0.159 CCCCCCOCC(C)(C)O 34a_100000210259_100000764493 [0,2,0,0,0,0|2,0,0]=4 5505 B11R0.159 CCCCCCOCC(C)(C)O 7a_100000210259_100000764493 [0,2,0,0,0,0|2,0,0]=4 5506 B11R0.159 CCCOCCNCC(C)(C)O 2230a_100000751335_100011215938 [0,2,0,0,0,0|2,0,0]=4 5507 B11R0.159 CCCOCCNCC(C)(C)O 34a_100161115042_100000764493 [0,2,0,0,0,0|2,0,0]=4 5508 B11R0.159 CCCOCCOCC(C)(C)C 34a_100000752267_100011219605 [0,2,0,0,0,0|2,0,0]=4 5509 B11R0.159 CCCOCCOCC(C)(C)F 34a_100000716592_100011215938 [0,2,0,0,0,0|2,0,0]=4 5510 B11R0.159 CCCOCCOCC(C)(C)F 34a_100000752267_100011997219 [0,2,0,0,0,0|2,0,0]=4 5511 B11R0.159 CCCOCCOCC(C)(C)O 34a_100000752267_100000764493 [0,2,0,0,0,0|1,0,0]=3 5512 B11R0.159 CCCOCCOCC(C)(C)O 7a_100000752267_100000764493 [0,2,0,0,0,0|1,0,0]=3 5513 B11R0.159 CCCOCCOCC(C)(F)F 34a_100000068830_100011215938 [0,2,0,0,0,0|2,0,0]=4 5514 B11R0.159 CCCOCCOCC(F)(F)Br 34a_100011217949_100011215938 [0,2,0,0,0,0|2,0,0]=4 5515 B11R0.159 CCCOCCOCC(F)(F)Cl 34a_100000734434_100011215938 [0,2,0,0,0,0|2,0,0]=4 5516 B11R0.159 CCCOCCOCC(F)(F)F 34a_100000210258_200011259466 [0,2,0,0,0,0|2,0,0]=4 5517 B11R0.159 CCCOCCOCC(F)(F)F 34a_100000210435_100011215938 [0,2,0,0,0,0|2,0,0]=4 5518 B11R0.159 CCCOCCOCC(F)(F)F 34a_100000754170_100000210303 [0,2,0,0,0,0|2,0,0]=4 5519 B11R0.159 CCCOCCSCC(C)(C)O 62a_100000764493_100011215938 [0,2,0,0,0,0|1,1,0]=4 5520 B11R0.159 CCCOCCSCC(C)(C)O 62a_100011215938_100000764493 [0,2,0,0,0,0|1,1,0]=4 5521 B11R0.159 CCCSCCOCC(C)(C)O 34a_200000230433_100000764493 [0,2,0,0,0,0|1,1,0]=4 5522 B11R0.159 CCCSCCOCC(C)(C)O 7a_200000230433_100000764493 [0,2,0,0,0,0|1,1,0]=4 5523 B11R0.159 FC(F)(F)COCCOCCBr 34a_100000211926_200011259466 [0,2,0,0,0,0|2,0,0]=4 5524 B11R0.159 FCCOCCOCC(F)(F)F 34a_100000754170_100011217306 [0,2,0,0,0,0|2,0,0]=4 5525 B11R0.159 NCCOCCOCC(F)(F)F 34a_100000210304_200011259466 [0,2,0,0,0,0|2,0,0]=4 5526 B11R0.159 OCCCCCOCC(F)(F)Br 34a_100011217949_100000746330 [0,2,0,0,0,0|2,0,0]=4 5527 B11R0.159 OCCCCCOCC(F)(F)Cl 34a_100000734434_100000746330 [0,2,0,0,0,0|2,0,0]=4 5528 B11R0.159 OCCCCCOCC(F)(F)F 34a_100000210435_100000746330 [0,2,0,0,0,0|2,0,0]=4 5529 B11R0.159 OCCNCCOCC(F)(F)F 2230a_100016997473_200011259466 [0,2,0,0,0,0|2,0,0]=4 5530 B11R0.159 OCCNCCOCC(F)(F)F 34a_100016990907_200011259466 [0,2,0,0,0,0|2,0,0]=4 5531 B11R0.159 OCCOCCCCC(F)(F)F 34a_100000749236_100000211926 [0,2,0,0,0,0|2,0,0]=4 5532 B11R0.159 OCCOCCCCC(F)(F)F 7a_100000749236_100000211926 [0,2,0,0,0,0|2,0,0]=4 5533 B11R0.159 OCCOCCNCC(F)(F)F 2230a_100000211614_100000763148 [0,2,0,0,0,0|2,0,0]=4 5534 B11R0.159 OCCOCCNCC(F)(F)F 34a_100000717047_100000692535 [0,2,0,0,0,0|2,0,0]=4 5535 B11R0.159 OCCOCCNCC(F)(F)F 34a_200000739120_100000211926 [0,2,0,0,0,0|2,0,0]=4 5536 B11R0.159 OCCOCCOCC(F)(F)Br 34a_100011217949_100000692535 [0,2,0,0,0,0|1,0,0]=3 5537 B11R0.159 OCCOCCOCC(F)(F)Cl 34a_100000734434_100000692535 [0,2,0,0,0,0|1,0,0]=3 5538 B11R0.159 OCCOCCOCC(F)(F)F 34a_100000210435_100000692535 [0,2,0,0,0,0|1,0,0]=3 5539 B11R0.159 OCCOCCOCC(F)(F)F 34a_100000754170_100000211926 [0,2,0,0,0,0|1,0,0]=3 5540 B11R0.159 OCCOCCSCC(F)(F)F 62a_100000763148_100011215305 [0,2,0,0,0,0|1,1,0]=4 5541 B11R0.159 OCCOCCSCC(F)(F)F 62a_100011215305_100000763148 [0,2,0,0,0,0|1,1,0]=4 5542 B11R0.159 OCCSCCOCC(F)(F)F 62a_100000211926_200011259466 [0,2,0,0,0,0|1,1,0]=4 5543 B11R0.159 OCCSCCOCC(F)(F)F 62a_200011259466_100000211926 [0,2,0,0,0,0|1,1,0]=4 5544 B11R0.3 C#CCCCCCCOCCO 34a_100011217361_100000211926 [0,2,0,0,0,0|2,0,0]=4 5545 B11R0.3 C#CCCCCCCOCCO 7a_100011217361_100000211926 [0,2,0,0,0,0|2,0,0]=4 5546 B11R0.3 C#CCCCCCOCCCO 34a_100000766912_100000230001 [0,2,0,0,0,0|2,0,0]=4 5547 B11R0.3 C#CCCCCCOCCCO 7a_100000766912_100011215043 [0,2,0,0,0,0|2,0,0]=4 5548 B11R0.3 C#CCCCCCOCCOC 34a_100000210237_100012094781 [0,2,0,0,0,0|2,0,0]=4 5549 B11R0.3 C#CCCCCCOCCOC 34a_100000766912_100011201679 [0,2,0,0,0,0|2,0,0]=4 5550 B11R0.3 C#CCCCCCOCCOC 7a_100000766912_100000233755 [0,2,0,0,0,0|2,0,0]=4 5551 B11R0.3 C#CCCCCCOCCON 34a_100000700252_100012094781 [0,2,0,0,0,0|2,0,0]=4 5552 B11R0.3 C#CCCCNCCOCCO 2230a_100000211614_100000731252 [0,2,0,0,0,0|2,0,0]=4 5553 B11R0.3 C#CCCCNCCOCCO 34a_100000211614_100000695029 [0,2,0,0,0,0|2,0,0]=4 5554 B11R0.3 C#CCCCNCCOCCO 34a_100000718082_100000692535 [0,2,0,0,0,0|2,0,0]=4 5555 B11R0.3 C#CCCCOCCCCCO 34a_100000215630_100000746330 [0,2,0,0,0,0|2,0,0]=4 5556 B11R0.3 C#CCCCOCCCCCO 7a_100000215630_100000746330 [0,2,0,0,0,0|2,0,0]=4 5557 B11R0.3 C#CCCCOCCOCCBr 34a_100000692535_100000695029 [0,2,0,0,0,0|2,0,0]=4 5558 B11R0.3 C#CCCCOCCOCCBr 7a_100000692535_100011215417 [0,2,0,0,0,0|2,0,0]=4 5559 B11R0.3 C#CCCCOCCOCCC 34a_100000215630_100011215938 [0,2,0,0,0,0|2,0,0]=4 5560 B11R0.3 C#CCCCOCCOCCC 34a_100000752267_100000695029 [0,2,0,0,0,0|2,0,0]=4 5561 B11R0.3 C#CCCCOCCOCCC 7a_100000215630_100011215938 [0,2,0,0,0,0|2,0,0]=4 5562 B11R0.3 C#CCCCOCCOCCC 7a_100000752267_100011215417 [0,2,0,0,0,0|2,0,0]=4 5563 B11R0.3 C#CCCCOCCOCCCl 34a_100011215305_100000695029 [0,2,0,0,0,0|2,0,0]=4 5564 B11R0.3 C#CCCCOCCOCCCl 7a_100011215305_100011215417 [0,2,0,0,0,0|2,0,0]=4 5565 B11R0.3 C#CCCCOCCOCCF 34a_200015357709_100000695029 [0,2,0,0,0,0|2,0,0]=4 5566 B11R0.3 C#CCCCOCCOCCF 7a_200015357709_100011215417 [0,2,0,0,0,0|2,0,0]=4 5567 B11R0.3 C#CCCCOCCOCCI 34a_100012149058_100000695029 [0,2,0,0,0,0|2,0,0]=4 5568 B11R0.3 C#CCCCOCCOCCI 7a_100012149058_100011215417 [0,2,0,0,0,0|2,0,0]=4 5569 B11R0.3 C#CCCCOCCOCCN 34a_100000211614_100000695029 [0,2,0,0,0,0|2,0,0]=4 5570 B11R0.3 C#CCCCOCCOCCO 34a_100000215630_100000692535 [0,2,0,0,0,0|1,0,0]=3 5571 B11R0.3 C#CCCCOCCOCCO 7a_100000215630_100011215305 [0,2,0,0,0,0|1,0,0]=3 5572 B11R0.3 C#CCCCSCCOCCO 62a_100011215305_100011215417 [0,2,0,0,0,0|1,1,0]=4 5573 B11R0.3 C#CCCCSCCOCCO 62a_100011215417_100011215305 [0,2,0,0,0,0|1,1,0]=4 5574 B11R0.3 C#CCCNCCOCCOC 2230a_100000745349_100000688953 [0,2,0,0,0,0|2,0,0]=4 5575 B11R0.3 C#CCCNCCOCCOC 34a_100000745349_100000688953 [0,2,0,0,0,0|2,0,0]=4 5576 B11R0.3 C#CCCNCCOCCOC 34a_100000755551_100000695917 [0,2,0,0,0,0|2,0,0]=4 5577 B11R0.3 C#CCCOCCCCCCO 34a_100011215631_100000766143 [0,2,0,0,0,0|2,0,0]=4 5578 B11R0.3 C#CCCOCCOCCCC 34a_100000210238_100000688953 [0,2,0,0,0,0|2,0,0]=4 5579 B11R0.3 C#CCCOCCOCCCC 34a_100011215631_100000743108 [0,2,0,0,0,0|2,0,0]=4 5580 B11R0.3 C#CCCOCCOCCCC 7a_100000210238_100000688953 [0,2,0,0,0,0|2,0,0]=4 5581 B11R0.3 C#CCCOCCOCCNC 34a_100000228057_100000688953 [0,2,0,0,0,0|2,0,0]=4 5582 B11R0.3 C#CCCOCCOCCOC 34a_100011215163_100000688953 [0,2,0,0,0,0|1,0,0]=3 5583 B11R0.3 C#CCCOCCOCCOC 34a_100011215631_100000695917 [0,2,0,0,0,0|1,0,0]=3 5584 B11R0.3 C#CCCOCCOCCOC 7a_100011215163_100000688953 [0,2,0,0,0,0|1,0,0]=3 5585 B11R0.3 C#CCCSCCOCCOC 62a_100000688953_100000695917 [0,2,0,0,0,0|1,1,0]=4 5586 B11R0.3 C#CCCSCCOCCOC 62a_100000695917_100000688953 [0,2,0,0,0,0|1,1,0]=4 5587 B11R0.3 C#CCOCCCOCCOC 34a_100000210247_100011216529 [0,2,0,0,0,0|1,0,1]=4 5588 B11R0.3 C#CCOCCOCC#CCO 34a_100000054580_200000047223 [0,2,0,0,0,0|1,0,1]=4 5589 B11R0.3 C#CCOCCOCC#CCO 7a_100000054580_200000047223 [0,2,0,0,0,0|1,0,1]=4 5590 B11R0.3 C#CCOCCOCCCCO 34a_100000054580_100011216708 [0,2,0,0,0,0|1,0,1]=4 5591 B11R0.3 C#CCOCCOCCCCO 7a_100000054580_100000210776 [0,2,0,0,0,0|1,0,1]=4 5592 B11R0.3 C#CCOCCOCCCOC 34a_100000054580_100000740836 [0,2,0,0,0,0|1,0,1]=4 5593 B11R0.3 C#CCOCCOCCCOC 34a_100000740835_100010402529 [0,2,0,0,0,0|1,0,1]=4 5594 B11R0.3 C#CCOCCOCCCOC 7a_100000054580_100000740836 [0,2,0,0,0,0|1,0,1]=4 5595 B11R0.3 C#CCOCCOCCOC=C 34a_100000033082_100010402529 [0,2,0,0,0,0|1,0,1]=4 5596 B11R0.3 C#CCOCCOCCOC=C 34a_100000039918_100000184674 [0,2,0,0,0,0|1,0,1]=4 5597 B11R0.3 C#CCOCCOCCOC=C 34a_100000054580_100000039644 [0,2,0,0,0,0|1,0,1]=4 5598 B11R0.3 C#CCOCCOCCOC=C 7a_100000039918_100000038162 [0,2,0,0,0,0|1,0,1]=4 5599 B11R0.3 C#CCOCCOCCOC=C 7a_100000054580_100000039644 [0,2,0,0,0,0|1,0,1]=4 5600 B11R0.3 C#CCOCCOCCOCC 34a_100000041007_100000210202 [0,2,0,0,0,0|1,0,1]=4 5601 B11R0.3 C#CCOCCOCCOCC 34a_100000054580_100000210147 [0,2,0,0,0,0|1,0,1]=4 5602 B11R0.3 C#CCOCCOCCOCC 34a_100000210136_100010402529 [0,2,0,0,0,0|1,0,1]=4 5603 B11R0.3 C#CCOCCOCCOCC 34a_100000210240_100000184674 [0,2,0,0,0,0|1,0,1]=4 5604 B11R0.3 C#CCOCCOCCOCC 34a_100000210247_100011211534 [0,2,0,0,0,0|1,0,1]=4 5605 B11R0.3 C#CCOCCOCCOCC 34a_100121572206_100010408581 [0,2,0,0,0,0|1,0,1]=4 5606 B11R0.3 C#CCOCCOCCOCC 7a_100000041007_100000210202 [0,2,0,0,0,0|1,0,1]=4 5607 B11R0.3 C#CCOCCOCCOCC 7a_100000054580_100011215890 [0,2,0,0,0,0|1,0,1]=4 5608 B11R0.3 C#CCOCCOCCOCC 7a_100000210136_100010402529 [0,2,0,0,0,0|1,0,1]=4 5609 B11R0.3 C#CCOCCOCCOCC 7a_100000210240_100000038162 [0,2,0,0,0,0|1,0,1]=4 5610 B11R0.3 C#CCOCCOCCOCF 34a_100000041007_100015361967 [0,2,0,0,0,0|1,0,1]=4 5611 B11R0.3 C#CCOCCOCCOCF 7a_100000041007_100015361967 [0,2,0,0,0,0|1,0,1]=4 5612 B11R0.3 C/C=C/CCOCCCCCO 34a_100016278192_100000746330 [0,2,0,0,0,0|2,0,0]=4 5613 B11R0.3 C/C=C/CCOCCOCCC 34a_100016278192_100011215938 [0,2,0,0,0,0|2,0,0]=4 5614 B11R0.3 C/C=C/CCOCCOCCO 34a_100016278192_100000692535 [0,2,0,0,0,0|1,0,0]=3 5615 B11R0.3 C/C=C/COCCOCCOC 34a_100011215163_100102629194 [0,2,0,0,0,0|1,0,1]=4 5616 B11R0.3 C/C=C/COCCOCCOC 34a_100016270725_100000695917 [0,2,0,0,0,0|1,0,1]=4 5617 B11R0.3 C/C=C/COCCOCCOC 7a_100011215163_100102629194 [0,2,0,0,0,0|1,0,1]=4 5618 B11R0.3 C=CCCCCCCOCCO 34a_200011216477_100000211926 [0,2,0,0,0,0|2,0,0]=4 5619 B11R0.3 C=CCCCCCCOCCO 7a_200011216477_100000211926 [0,2,0,0,0,0|2,0,0]=4 5620 B11R0.3 C=CCCCCCOCCCO 34a_100011216702_100000230001 [0,2,0,0,0,0|2,0,0]=4 5621 B11R0.3 C=CCCCCCOCCCO 7a_100011216702_100011215043 [0,2,0,0,0,0|2,0,0]=4 5622 B11R0.3 C=CCCCCCOCCOC 34a_100000210237_100000700193 [0,2,0,0,0,0|2,0,0]=4 5623 B11R0.3 C=CCCCCCOCCOC 34a_100011216702_100011201679 [0,2,0,0,0,0|2,0,0]=4 5624 B11R0.3 C=CCCCCCOCCOC 7a_100011216702_100000233755 [0,2,0,0,0,0|2,0,0]=4 5625 B11R0.3 C=CCCCCCOCCON 34a_100000700252_100000700193 [0,2,0,0,0,0|2,0,0]=4 5626 B11R0.3 C=CCCCNCCOCCO 2230a_100000211614_100011713584 [0,2,0,0,0,0|2,0,0]=4 5627 B11R0.3 C=CCCCNCCOCCO 2230a_100000700776_100011215305 [0,2,0,0,0,0|2,0,0]=4 5628 B11R0.3 C=CCCCNCCOCCO 34a_100000211614_100000757094 [0,2,0,0,0,0|2,0,0]=4 5629 B11R0.3 C=CCCCNCCOCCO 34a_100000700776_100000692535 [0,2,0,0,0,0|2,0,0]=4 5630 B11R0.3 C=CCCCOCCCCCO 34a_100000758997_100000746330 [0,2,0,0,0,0|2,0,0]=4 5631 B11R0.3 C=CCCCOCCCCCO 7a_100000758997_100000746330 [0,2,0,0,0,0|2,0,0]=4 5632 B11R0.3 C=CCCCOCCOCCBr 34a_100000692535_100000757094 [0,2,0,0,0,0|2,0,0]=4 5633 B11R0.3 C=CCCCOCCOCCBr 7a_100000692535_100000757094 [0,2,0,0,0,0|2,0,0]=4 5634 B11R0.3 C=CCCCOCCOCCC 34a_100000752267_100000757094 [0,2,0,0,0,0|2,0,0]=4 5635 B11R0.3 C=CCCCOCCOCCC 34a_100000758997_100011215938 [0,2,0,0,0,0|2,0,0]=4 5636 B11R0.3 C=CCCCOCCOCCC 7a_100000752267_100000757094 [0,2,0,0,0,0|2,0,0]=4 5637 B11R0.3 C=CCCCOCCOCCC 7a_100000758997_100011215938 [0,2,0,0,0,0|2,0,0]=4 5638 B11R0.3 C=CCCCOCCOCCCl 34a_100011215305_100000757094 [0,2,0,0,0,0|2,0,0]=4 5639 B11R0.3 C=CCCCOCCOCCCl 7a_100011215305_100000757094 [0,2,0,0,0,0|2,0,0]=4 5640 B11R0.3 C=CCCCOCCOCCF 34a_200015357709_100000757094 [0,2,0,0,0,0|2,0,0]=4 5641 B11R0.3 C=CCCCOCCOCCF 7a_200015357709_100000757094 [0,2,0,0,0,0|2,0,0]=4 5642 B11R0.3 C=CCCCOCCOCCI 34a_100012149058_100000757094 [0,2,0,0,0,0|2,0,0]=4 5643 B11R0.3 C=CCCCOCCOCCI 7a_100012149058_100000757094 [0,2,0,0,0,0|2,0,0]=4 5644 B11R0.3 C=CCCCOCCOCCN 34a_100000211614_100000757094 [0,2,0,0,0,0|2,0,0]=4 5645 B11R0.3 C=CCCCOCCOCCO 34a_100000758997_100000692535 [0,2,0,0,0,0|1,0,0]=3 5646 B11R0.3 C=CCCCOCCOCCO 7a_100000758997_100011215305 [0,2,0,0,0,0|1,0,0]=3 5647 B11R0.3 C=CCCCSCCOCCO 62a_100011215305_100000757094 [0,2,0,0,0,0|1,1,0]=4 5648 B11R0.3 C=CCCCSCCOCCO 62a_100011713584_100011215305 [0,2,0,0,0,0|1,1,0]=4 5649 B11R0.3 C=CCCNCCOCCOC 2230a_100000745349_100000754431 [0,2,0,0,0,0|2,0,0]=4 5650 B11R0.3 C=CCCNCCOCCOC 2230a_100015191253_100000695917 [0,2,0,0,0,0|2,0,0]=4 5651 B11R0.3 C=CCCNCCOCCOC 34a_100000745349_100000754431 [0,2,0,0,0,0|2,0,0]=4 5652 B11R0.3 C=CCCOCCCCCCO 34a_100011205117_100000766143 [0,2,0,0,0,0|2,0,0]=4 5653 B11R0.3 C=CCCOCCOCCCC 34a_100000210238_100000754431 [0,2,0,0,0,0|2,0,0]=4 5654 B11R0.3 C=CCCOCCOCCCC 34a_100011205117_100000743108 [0,2,0,0,0,0|2,0,0]=4 5655 B11R0.3 C=CCCOCCOCCCC 7a_100000210238_100000754431 [0,2,0,0,0,0|2,0,0]=4 5656 B11R0.3 C=CCCOCCOCCNC 34a_100000228057_100000754431 [0,2,0,0,0,0|2,0,0]=4 5657 B11R0.3 C=CCCOCCOCCOC 34a_100011205117_100000695917 [0,2,0,0,0,0|1,0,0]=3 5658 B11R0.3 C=CCCOCCOCCOC 34a_100011215163_100000754431 [0,2,0,0,0,0|1,0,0]=3 5659 B11R0.3 C=CCCOCCOCCOC 7a_100011215163_100000754431 [0,2,0,0,0,0|1,0,0]=3 5660 B11R0.3 C=CCCSCCOCCOC 62a_100000695917_100000754431 [0,2,0,0,0,0|1,1,0]=4 5661 B11R0.3 C=CCCSCCOCCOC 62a_100000754431_100000695917 [0,2,0,0,0,0|1,1,0]=4 5662 B11R0.3 C=CCOCCCOCCOC 34a_200000210373_100011216529 [0,2,0,0,0,0|1,0,1]=4 5663 B11R0.3 C=CCOCCOCC#CCO 34a_100000037705_200000047223 [0,2,0,0,0,0|1,0,1]=4 5664 B11R0.3 C=CCOCCOCC#CCO 7a_100000037705_200000047223 [0,2,0,0,0,0|1,0,1]=4 5665 B11R0.3 C=CCOCCOCCCCO 34a_100000037705_100011216708 [0,2,0,0,0,0|1,0,1]=4 5666 B11R0.3 C=CCOCCOCCCCO 7a_100000037705_100000210776 [0,2,0,0,0,0|1,0,1]=4 5667 B11R0.3 C=CCOCCOCCCOC 34a_100000037705_100000740836 [0,2,0,0,0,0|1,0,1]=4 5668 B11R0.3 C=CCOCCOCCCOC 7a_100000037705_100000740836 [0,2,0,0,0,0|1,0,1]=4 5669 B11R0.3 C=CCOCCOCCOC=C 34a_100000037705_100000039644 [0,2,0,0,0,0|1,0,1]=4 5670 B11R0.3 C=CCOCCOCCOC=C 34a_100000039918_100015514636 [0,2,0,0,0,0|1,0,1]=4 5671 B11R0.3 C=CCOCCOCCOC=C 7a_100000037705_100000039644 [0,2,0,0,0,0|1,0,1]=4 5672 B11R0.3 C=CCOCCOCCOC=C 7a_100000039918_100015514636 [0,2,0,0,0,0|1,0,1]=4 5673 B11R0.3 C=CCOCCOCCOCC 34a_100000037705_100000210147 [0,2,0,0,0,0|1,0,1]=4 5674 B11R0.3 C=CCOCCOCCOCC 34a_100000065479_100000210202 [0,2,0,0,0,0|1,0,1]=4 5675 B11R0.3 C=CCOCCOCCOCC 34a_100000210240_100015514636 [0,2,0,0,0,0|1,0,1]=4 5676 B11R0.3 C=CCOCCOCCOCC 34a_200000210373_100011211534 [0,2,0,0,0,0|1,0,1]=4 5677 B11R0.3 C=CCOCCOCCOCC 7a_100000037705_100011215890 [0,2,0,0,0,0|1,0,1]=4 5678 B11R0.3 C=CCOCCOCCOCC 7a_100000065479_100000210202 [0,2,0,0,0,0|1,0,1]=4 5679 B11R0.3 C=CCOCCOCCOCC 7a_100000210240_100015514636 [0,2,0,0,0,0|1,0,1]=4 5680 B11R0.3 C=CCOCCOCCOCF 34a_100000065479_100015361967 [0,2,0,0,0,0|1,0,1]=4 5681 B11R0.3 C=CCOCCOCCOCF 7a_100000065479_100015361967 [0,2,0,0,0,0|1,0,1]=4 5682 B11R0.3 C=COCCNCCCCCO 2230a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 5683 B11R0.3 C=COCCNCCCCCO 34a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 5684 B11R0.3 C=COCCNCCOCCC 2230a_100161115042_100000039644 [0,2,0,0,0,0|2,0,0]=4 5685 B11R0.3 C=COCCNCCOCCC 34a_100161115042_100000039644 [0,2,0,0,0,0|2,0,0]=4 5686 B11R0.3 C=COCCNCCOCCO 2230a_100000211614_100000039644 [0,2,0,0,0,0|1,0,0]=3 5687 B11R0.3 C=COCCNCCOCCO 34a_100000211614_100000039644 [0,2,0,0,0,0|1,0,0]=3 5688 B11R0.3 C=COCCNCCSCCO 2230a_100011219999_100000039644 [0,2,0,0,0,0|1,1,0]=4 5689 B11R0.3 C=COCCOCCCCCBr 34a_100000746331_100000039644 [0,2,0,0,0,0|2,0,0]=4 5690 B11R0.3 C=COCCOCCCCCBr 7a_100000746331_100000039644 [0,2,0,0,0,0|2,0,0]=4 5691 B11R0.3 C=COCCOCCCCCC 34a_100000033082_100000210314 [0,2,0,0,0,0|2,0,0]=4 5692 B11R0.3 C=COCCOCCCCCC 34a_100000210259_100000039644 [0,2,0,0,0,0|2,0,0]=4 5693 B11R0.3 C=COCCOCCCCCC 7a_100000210259_100000039644 [0,2,0,0,0,0|2,0,0]=4 5694 B11R0.3 C=COCCOCCCCCCl 34a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 5695 B11R0.3 C=COCCOCCCCCCl 7a_100000746330_100000039644 [0,2,0,0,0,0|2,0,0]=4 5696 B11R0.3 C=COCCOCCCCCF 34a_100000033082_100000729378 [0,2,0,0,0,0|2,0,0]=4 5697 B11R0.3 C=COCCOCCCCCI 34a_200012148887_100000039644 [0,2,0,0,0,0|2,0,0]=4 5698 B11R0.3 C=COCCOCCCCCI 7a_200012148887_100000039644 [0,2,0,0,0,0|2,0,0]=4 5699 B11R0.3 C=COCCOCCCCCN 34a_100000762737_100000039644 [0,2,0,0,0,0|2,0,0]=4 5700 B11R0.3 C=COCCOCCCCCO 34a_100000033082_100000746330 [0,2,0,0,0,0|1,0,0]=3 5701 B11R0.3 C=COCCOCCOCC#N 7a_100000039918_100011215382 [0,2,0,0,0,0|1,0,1]=4 5702 B11R0.3 C=COCCOCCOCC=O 34a_100000039918_200009817547 [0,2,0,0,0,0|0,0,2]=4 5703 B11R0.3 C=COCCOCCOCC=O 7a_100000039918_200015260668 [0,2,0,0,0,0|0,0,2]=4 5704 B11R0.3 C=COCCOCCOCCBr 34a_100000692535_100000039644 [0,2,0,0,0,0|1,0,0]=3 5705 B11R0.3 C=COCCOCCOCCBr 7a_100000692535_100000039644 [0,2,0,0,0,0|1,0,0]=3 5706 B11R0.3 C=COCCOCCOCCC 34a_100000033082_100011215938 [0,2,0,0,0,0|1,0,0]=3 5707 B11R0.3 C=COCCOCCOCCC 34a_100000039918_100000210303 [0,2,0,0,0,0|1,0,0]=3 5708 B11R0.3 C=COCCOCCOCCC 34a_100000752267_100000039644 [0,2,0,0,0,0|1,0,0]=3 5709 B11R0.3 C=COCCOCCOCCC 7a_100000039918_100000210303 [0,2,0,0,0,0|1,0,0]=3 5710 B11R0.3 C=COCCOCCOCCC 7a_100000752267_100000039644 [0,2,0,0,0,0|1,0,0]=3 5711 B11R0.3 C=COCCOCCOCCCl 34a_100011215305_100000039644 [0,2,0,0,0,0|1,0,0]=3 5712 B11R0.3 C=COCCOCCOCCCl 7a_100011215305_100000039644 [0,2,0,0,0,0|1,0,0]=3 5713 B11R0.3 C=COCCOCCOCCF 34a_100000039918_100011217306 [0,2,0,0,0,0|1,0,0]=3 5714 B11R0.3 C=COCCOCCOCCF 34a_200015357709_100000039644 [0,2,0,0,0,0|1,0,0]=3 5715 B11R0.3 C=COCCOCCOCCF 7a_100000039918_100011217306 [0,2,0,0,0,0|1,0,0]=3 5716 B11R0.3 C=COCCOCCOCCF 7a_200015357709_100000039644 [0,2,0,0,0,0|1,0,0]=3 5717 B11R0.3 C=COCCOCCOCCI 34a_100012149058_100000039644 [0,2,0,0,0,0|1,0,0]=3 5718 B11R0.3 C=COCCOCCOCCI 7a_100012149058_100000039644 [0,2,0,0,0,0|1,0,0]=3 5719 B11R0.3 C=COCCOCCOCCN 34a_100000211614_100000039644 [0,2,0,0,0,0|1,0,0]=3 5720 B11R0.3 C=COCCOCCOCCO 34a_100000033082_100000692535 [0,2,0,0,0,0|0,0,0]=2 5721 B11R0.3 C=COCCOCCOCCO 34a_100000039918_100000211926 [0,2,0,0,0,0|0,0,0]=2 5722 B11R0.3 C=COCCOCCOCCO 7a_100000039918_100000211926 [0,2,0,0,0,0|0,0,0]=2 5723 B11R0.3 C=COCCOCCOCSC 34a_100000039918_100011218213 [0,2,0,0,0,0|2,0,0]=4 5724 B11R0.3 C=COCCOCCSCCC 34a_200000230433_100000039644 [0,2,0,0,0,0|1,1,0]=4 5725 B11R0.3 C=COCCOCCSCCC 7a_200000230433_100000039644 [0,2,0,0,0,0|1,1,0]=4 5726 B11R0.3 C=COCCSCCCCCO 62a_100000039644_100000746330 [0,2,0,0,0,0|1,1,0]=4 5727 B11R0.3 C=COCCSCCCCCO 62a_100000746330_100000039644 [0,2,0,0,0,0|1,1,0]=4 5728 B11R0.3 C=COCCSCCOCCC 62a_100000039644_100011215938 [0,2,0,0,0,0|1,1,0]=4 5729 B11R0.3 C=COCCSCCOCCC 62a_100011215938_100000039644 [0,2,0,0,0,0|1,1,0]=4 5730 B11R0.3 C=COCCSCCOCCO 62a_100000039644_100011215305 [0,2,0,0,0,0|0,1,0]=3 5731 B11R0.3 C=COCCSCCOCCO 62a_100011215305_100000039644 [0,2,0,0,0,0|0,1,0]=3 5732 B11R0.3 CC#CCCOCCCCCO 34a_100000750427_100000746330 [0,2,0,0,0,0|2,0,0]=4 5733 B11R0.3 CC#CCCOCCOCCC 34a_100000750427_100011215938 [0,2,0,0,0,0|2,0,0]=4 5734 B11R0.3 CC#CCCOCCOCCO 34a_100000750427_100000692535 [0,2,0,0,0,0|1,0,0]=3 5735 B11R0.3 CC#CCOCCOCCOC 34a_100000761923_100000695917 [0,2,0,0,0,0|1,0,1]=4 5736 B11R0.3 CC#CCOCCOCCOC 34a_100011215163_100000748600 [0,2,0,0,0,0|1,0,1]=4 5737 B11R0.3 CC#CCOCCOCCOC 7a_100011215163_100000748600 [0,2,0,0,0,0|1,0,1]=4 5738 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [0,2,0,0,0,0|2,0,0]=4 5739 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [0,2,0,0,0,0|2,0,0]=4 5740 B11R0.3 CC/C=C\CNCCOCCO 2230a_100000211614_100103147603 [0,2,0,0,0,0|2,0,0]=4 5741 B11R0.3 CC/C=C\CNCCOCCO 34a_100000211614_100103147603 [0,2,0,0,0,0|2,0,0]=4 5742 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [0,2,0,0,0,0|2,0,0]=4 5743 B11R0.3 CC/C=C\COCCOCCBr 34a_100000692535_100103147603 [0,2,0,0,0,0|2,0,0]=4 5744 B11R0.3 CC/C=C\COCCOCCBr 7a_100000692535_100103147603 [0,2,0,0,0,0|2,0,0]=4 5745 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [0,2,0,0,0,0|2,0,0]=4 5746 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [0,2,0,0,0,0|2,0,0]=4 5747 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [0,2,0,0,0,0|2,0,0]=4 5748 B11R0.3 CC/C=C\COCCOCCCl 34a_100011215305_100103147603 [0,2,0,0,0,0|2,0,0]=4 5749 B11R0.3 CC/C=C\COCCOCCCl 7a_100011215305_100103147603 [0,2,0,0,0,0|2,0,0]=4 5750 B11R0.3 CC/C=C\COCCOCCF 34a_200015357709_100103147603 [0,2,0,0,0,0|2,0,0]=4 5751 B11R0.3 CC/C=C\COCCOCCF 7a_200015357709_100103147603 [0,2,0,0,0,0|2,0,0]=4 5752 B11R0.3 CC/C=C\COCCOCCI 34a_100012149058_100103147603 [0,2,0,0,0,0|2,0,0]=4 5753 B11R0.3 CC/C=C\COCCOCCI 7a_100012149058_100103147603 [0,2,0,0,0,0|2,0,0]=4 5754 B11R0.3 CC/C=C\COCCOCCN 34a_100000211614_100103147603 [0,2,0,0,0,0|2,0,0]=4 5755 B11R0.3 CC/C=C\COCCOCCO 34a_100016268518_100000692535 [0,2,0,0,0,0|1,0,0]=3 5756 B11R0.3 CC/C=C\CSCCOCCO 62a_100011215305_100103147603 [0,2,0,0,0,0|1,1,0]=4 5757 B11R0.3 CC/C=C\CSCCOCCO 62a_100103147603_100011215305 [0,2,0,0,0,0|1,1,0]=4 5758 B11R0.3 CC=CCOCCOCCOC 34a_100011215163_100000070051 [0,2,0,0,0,0|1,0,1]=4 5759 B11R0.3 CC=CCOCCOCCOC 7a_100011215163_100000070051 [0,2,0,0,0,0|1,0,1]=4 5760 B11R0.3 CCC#CCNCCOCCO 2230a_100000211614_100009813939 [0,2,0,0,0,0|2,0,0]=4 5761 B11R0.3 CCC#CCNCCOCCO 34a_100000211614_100009813939 [0,2,0,0,0,0|2,0,0]=4 5762 B11R0.3 CCC#CCOCCCCCO 34a_100000032950_100000746330 [0,2,0,0,0,0|2,0,0]=4 5763 B11R0.3 CCC#CCOCCOCCBr 34a_100000692535_100009813939 [0,2,0,0,0,0|2,0,0]=4 5764 B11R0.3 CCC#CCOCCOCCBr 7a_100000692535_100009813939 [0,2,0,0,0,0|2,0,0]=4 5765 B11R0.3 CCC#CCOCCOCCC 34a_100000032950_100011215938 [0,2,0,0,0,0|2,0,0]=4 5766 B11R0.3 CCC#CCOCCOCCC 34a_100000752267_100009813939 [0,2,0,0,0,0|2,0,0]=4 5767 B11R0.3 CCC#CCOCCOCCC 7a_100000752267_100009813939 [0,2,0,0,0,0|2,0,0]=4 5768 B11R0.3 CCC#CCOCCOCCCl 34a_100011215305_100009813939 [0,2,0,0,0,0|2,0,0]=4 5769 B11R0.3 CCC#CCOCCOCCCl 7a_100011215305_100009813939 [0,2,0,0,0,0|2,0,0]=4 5770 B11R0.3 CCC#CCOCCOCCF 34a_200015357709_100009813939 [0,2,0,0,0,0|2,0,0]=4 5771 B11R0.3 CCC#CCOCCOCCF 7a_200015357709_100009813939 [0,2,0,0,0,0|2,0,0]=4 5772 B11R0.3 CCC#CCOCCOCCI 34a_100012149058_100009813939 [0,2,0,0,0,0|2,0,0]=4 5773 B11R0.3 CCC#CCOCCOCCI 7a_100012149058_100009813939 [0,2,0,0,0,0|2,0,0]=4 5774 B11R0.3 CCC#CCOCCOCCN 34a_100000211614_100009813939 [0,2,0,0,0,0|2,0,0]=4 5775 B11R0.3 CCC#CCOCCOCCO 34a_100000032950_100000692535 [0,2,0,0,0,0|1,0,0]=3 5776 B11R0.3 CCC#CCSCCOCCO 62a_100009813939_100011215305 [0,2,0,0,0,0|1,1,0]=4 5777 B11R0.3 CCC#CCSCCOCCO 62a_100011215305_100009813939 [0,2,0,0,0,0|1,1,0]=4 5778 B11R0.3 CCCC#CCCOCCCO 34a_100000042726_100000230001 [0,2,0,0,0,0|2,0,0]=4 5779 B11R0.3 CCCC#CCCOCCCO 7a_100000042726_100011215043 [0,2,0,0,0,0|2,0,0]=4 5780 B11R0.3 CCCC#CCCOCCOC 34a_100000042726_100011201679 [0,2,0,0,0,0|2,0,0]=4 5781 B11R0.3 CCCC#CCCOCCOC 7a_100000042726_100000233755 [0,2,0,0,0,0|2,0,0]=4 5782 B11R0.3 CCCC/C=C\CCOCCO 34a_200016286491_100000211926 [0,2,0,0,0,0|2,0,0]=4 5783 B11R0.3 CCCC/C=C\CCOCCO 7a_200016286491_100000211926 [0,2,0,0,0,0|2,0,0]=4 5784 B11R0.3 CCCCC#CCCOCCO 34a_100000037610_100000211926 [0,2,0,0,0,0|2,0,0]=4 5785 B11R0.3 CCCCC#CCCOCCO 7a_100000037610_100000211926 [0,2,0,0,0,0|2,0,0]=4 5786 B11R0.3 CCCCC/C=C/COCCO 34a_100016258190_100000211926 [0,2,0,0,0,0|2,0,0]=4 5787 B11R0.3 CCCCC/C=C/COCCO 7a_100016258190_100000211926 [0,2,0,0,0,0|2,0,0]=4 5788 B11R0.3 CCCCCC#CCOCCO 34a_200000033628_100000211926 [0,2,0,0,0,0|2,0,0]=4 5789 B11R0.3 CCCCCC#CCOCCO 7a_200000033628_100000211926 [0,2,0,0,0,0|2,0,0]=4 5790 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [0,2,0,0,0,0|2,0,0]=4 5791 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [0,2,0,0,0,0|2,0,0]=4 5792 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [0,2,0,0,0,0|2,0,0]=4 5793 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [0,2,0,0,0,0|2,0,0]=4 5794 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [0,2,0,0,0,0|2,0,0]=4 5795 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [0,2,0,0,0,0|2,0,0]=4 5796 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [0,2,0,0,0,0|2,0,0]=4 5797 B11R0.3 CCCCCCCOCCON 34a_100000700252_100000210614 [0,2,0,0,0,0|2,0,0]=4 5798 B11R0.3 CCCCCCOCC#CCO 34a_100000210259_200000047223 [0,2,0,0,0,0|2,0,0]=4 5799 B11R0.3 CCCCCCOCC#CCO 7a_100000210259_200000047223 [0,2,0,0,0,0|2,0,0]=4 5800 B11R0.3 CCCCCCOCCCCO 34a_100000210259_100011216708 [0,2,0,0,0,0|2,0,0]=4 5801 B11R0.3 CCCCCCOCCCCO 7a_100000210259_100000210776 [0,2,0,0,0,0|2,0,0]=4 5802 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [0,2,0,0,0,0|2,0,0]=4 5803 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [0,2,0,0,0,0|2,0,0]=4 5804 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [0,2,0,0,0,0|2,0,0]=4 5805 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [0,2,0,0,0,0|2,0,0]=4 5806 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [0,2,0,0,0,0|2,0,0]=4 5807 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [0,2,0,0,0,0|2,0,0]=4 5808 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [0,2,0,0,0,0|2,0,0]=4 5809 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [0,2,0,0,0,0|2,0,0]=4 5810 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [0,2,0,0,0,0|2,0,0]=4 5811 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [0,2,0,0,0,0|2,0,0]=4 5812 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [0,2,0,0,0,0|2,0,0]=4 5813 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [0,2,0,0,0,0|2,0,0]=4 5814 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [0,2,0,0,0,0|2,0,0]=4 5815 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [0,2,0,0,0,0|2,0,0]=4 5816 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [0,2,0,0,0,0|2,0,0]=4 5817 B11R0.3 CCCCCNCOCCOC 2230a_100000209983_100000231047 [0,2,0,0,0,0|2,0,0]=4 5818 B11R0.3 CCCCCOCCCCCO 34a_100000210253_100000746330 [0,2,0,0,0,0|2,0,0]=4 5819 B11R0.3 CCCCCOCCCCCO 7a_100000210253_100000746330 [0,2,0,0,0,0|2,0,0]=4 5820 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [0,2,0,0,0,0|2,0,0]=4 5821 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [0,2,0,0,0,0|2,0,0]=4 5822 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [0,2,0,0,0,0|2,0,0]=4 5823 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [0,2,0,0,0,0|2,0,0]=4 5824 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [0,2,0,0,0,0|2,0,0]=4 5825 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [0,2,0,0,0,0|2,0,0]=4 5826 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [0,2,0,0,0,0|2,0,0]=4 5827 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [0,2,0,0,0,0|2,0,0]=4 5828 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [0,2,0,0,0,0|2,0,0]=4 5829 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [0,2,0,0,0,0|2,0,0]=4 5830 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [0,2,0,0,0,0|2,0,0]=4 5831 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [0,2,0,0,0,0|2,0,0]=4 5832 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [0,2,0,0,0,0|2,0,0]=4 5833 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [0,2,0,0,0,0|2,0,0]=4 5834 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [0,2,0,0,0,0|2,0,0]=4 5835 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [0,2,0,0,0,0|2,0,0]=4 5836 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [0,2,0,0,0,0|2,0,0]=4 5837 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [0,2,0,0,0,0|1,0,0]=3 5838 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [0,2,0,0,0,0|1,0,0]=3 5839 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [0,2,0,0,0,0|1,0,0]=3 5840 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [0,2,0,0,0,0|1,0,0]=3 5841 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [0,2,0,0,0,0|1,1,0]=4 5842 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [0,2,0,0,0,0|1,1,0]=4 5843 B11R0.3 CCCCCSCOCCOC 62a_100000210326_100000231047 [0,2,0,0,0,0|2,0,0]=4 5844 B11R0.3 CCCCCSCOCCOC 62a_100000231047_100000210326 [0,2,0,0,0,0|2,0,0]=4 5845 B11R0.3 CCCCNCCOCCOC 2230a_100000102301_100000695917 [0,2,0,0,0,0|2,0,0]=4 5846 B11R0.3 CCCCNCCOCCOC 2230a_100000745349_100000210211 [0,2,0,0,0,0|2,0,0]=4 5847 B11R0.3 CCCCNCCOCCOC 34a_100000745349_100000210210 [0,2,0,0,0,0|2,0,0]=4 5848 B11R0.3 CCCCNCCOCCOC 7a_106832991798_100000695917 [0,2,0,0,0,0|2,0,0]=4 5849 B11R0.3 CCCCOCCCCCCO 34a_100000210227_100000766143 [0,2,0,0,0,0|2,0,0]=4 5850 B11R0.3 CCCCOCCCCCCO 7a_100000210227_100000766143 [0,2,0,0,0,0|2,0,0]=4 5851 B11R0.3 CCCCOCCCNCCO 2230a_200000211371_100000211926 [0,2,0,0,0,0|2,0,0]=4 5852 B11R0.3 CCCCOCCCNCCO 34a_200000211371_100000211926 [0,2,0,0,0,0|2,0,0]=4 5853 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [0,2,0,0,0,0|2,0,0]=4 5854 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [0,2,0,0,0,0|2,0,0]=4 5855 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [0,2,0,0,0,0|2,0,0]=4 5856 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [0,2,0,0,0,0|2,0,0]=4 5857 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [0,2,0,0,0,0|1,0,0]=3 5858 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [0,2,0,0,0,0|1,0,0]=3 5859 B11R0.3 CCCCOCCNCCOC 2230a_100000209980_100000743108 [0,2,0,0,0,0|2,0,0]=4 5860 B11R0.3 CCCCOCCOCCC#N 7a_100000210238_100000184422 [0,2,0,0,0,0|2,0,0]=4 5861 B11R0.3 CCCCOCCOCCCBr 34a_100011217188_100000743108 [0,2,0,0,0,0|2,0,0]=4 5862 B11R0.3 CCCCOCCOCCCC 34a_100000210227_100000743108 [0,2,0,0,0,0|2,0,0]=4 5863 B11R0.3 CCCCOCCOCCCC 34a_100000210238_100000210210 [0,2,0,0,0,0|2,0,0]=4 5864 B11R0.3 CCCCOCCOCCCC 7a_100000210227_100000743108 [0,2,0,0,0,0|2,0,0]=4 5865 B11R0.3 CCCCOCCOCCCC 7a_100000210238_100000210211 [0,2,0,0,0,0|2,0,0]=4 5866 B11R0.3 CCCCOCCOCCCCl 34a_100000230001_100000743108 [0,2,0,0,0,0|2,0,0]=4 5867 B11R0.3 CCCCOCCOCCCF 34a_100000210238_100011934791 [0,2,0,0,0,0|2,0,0]=4 5868 B11R0.3 CCCCOCCOCCCF 34a_100000759539_100000743108 [0,2,0,0,0,0|2,0,0]=4 5869 B11R0.3 CCCCOCCOCCCF 7a_100000210238_100011934791 [0,2,0,0,0,0|2,0,0]=4 5870 B11R0.3 CCCCOCCOCCCN 34a_100000182051_100000743108 [0,2,0,0,0,0|2,0,0]=4 5871 B11R0.3 CCCCOCCOCCCO 34a_100000210238_100000230001 [0,2,0,0,0,0|1,0,0]=3 5872 B11R0.3 CCCCOCCOCCCO 7a_100000210238_100011215043 [0,2,0,0,0,0|1,0,0]=3 5873 B11R0.3 CCCCOCCOCCNC 34a_100000228057_100000210210 [0,2,0,0,0,0|2,0,0]=4 5874 B11R0.3 CCCCOCCOCCOC 34a_100000210227_100000695917 [0,2,0,0,0,0|1,0,0]=3 5875 B11R0.3 CCCCOCCOCCOC 34a_100000210237_100000743108 [0,2,0,0,0,0|1,0,0]=3 5876 B11R0.3 CCCCOCCOCCOC 34a_100000210238_100011201679 [0,2,0,0,0,0|1,0,0]=3 5877 B11R0.3 CCCCOCCOCCOC 34a_100011215163_100000210210 [0,2,0,0,0,0|1,0,0]=3 5878 B11R0.3 CCCCOCCOCCOC 34a_100011215186_200000210301 [0,2,0,0,0,0|1,0,0]=3 5879 B11R0.3 CCCCOCCOCCOC 7a_100000210227_100000695917 [0,2,0,0,0,0|1,0,0]=3 5880 B11R0.3 CCCCOCCOCCOC 7a_100000210238_100000233755 [0,2,0,0,0,0|1,0,0]=3 5881 B11R0.3 CCCCOCCOCCOC 7a_100011215163_100000210211 [0,2,0,0,0,0|1,0,0]=3 5882 B11R0.3 CCCCOCCOCCOC 7a_100011215186_200000210301 [0,2,0,0,0,0|1,0,0]=3 5883 B11R0.3 CCCCOCCOCCON 34a_100000700252_100000743108 [0,2,0,0,0,0|1,0,0]=3 5884 B11R0.3 CCCCOCCOCCO[13CH3] 34a_100011215186_200025704644 [0,2,0,0,0,0|1,0,0]=3 5885 B11R0.3 CCCCOCCOCCO[13CH3] 7a_100011215186_200025704644 [0,2,0,0,0,0|1,0,0]=3 5886 B11R0.3 CCCCOCCOCCSC 34a_100000210238_100000212216 [0,2,0,0,0,0|1,1,0]=4 5887 B11R0.3 CCCCOCCOCCSC 34a_100000230434_100000743108 [0,2,0,0,0,0|1,1,0]=4 5888 B11R0.3 CCCCOCCOCCSC 7a_100000210238_100000212216 [0,2,0,0,0,0|1,1,0]=4 5889 B11R0.3 CCCCOCCOCCSC 7a_100000230434_100000743108 [0,2,0,0,0,0|1,1,0]=4 5890 B11R0.3 CCCCOCCSCCCO 62a_100000743108_100011215043 [0,2,0,0,0,0|1,1,0]=4 5891 B11R0.3 CCCCOCCSCCCO 62a_100011215043_100000743108 [0,2,0,0,0,0|1,1,0]=4 5892 B11R0.3 CCCCOCCSCCOC 62a_100000233755_100000743108 [0,2,0,0,0,0|1,1,0]=4 5893 B11R0.3 CCCCOCCSCCOC 62a_100000743108_100000233755 [0,2,0,0,0,0|1,1,0]=4 5894 B11R0.3 CCCCOCNCCCCO 2230a_100000750430_100011995733 [0,2,0,0,0,0|2,0,0]=4 5895 B11R0.3 CCCCOCNCCCCO 34a_100000750430_100011995733 [0,2,0,0,0,0|2,0,0]=4 5896 B11R0.3 CCCCOCSCCCCO 62a_100000210776_100011995733 [0,2,0,0,0,0|2,0,0]=4 5897 B11R0.3 CCCCOCSCCCCO 62a_100011995733_100000210776 [0,2,0,0,0,0|2,0,0]=4 5898 B11R0.3 CCCCSCCOCCCO 34a_200000230436_100000230001 [0,2,0,0,0,0|1,1,0]=4 5899 B11R0.3 CCCCSCCOCCCO 7a_200000230436_100011215043 [0,2,0,0,0,0|1,1,0]=4 5900 B11R0.3 CCCCSCCOCCOC 34a_200000230436_100011201679 [0,2,0,0,0,0|1,1,0]=4 5901 B11R0.3 CCCCSCCOCCOC 62a_100000210211_100000695917 [0,2,0,0,0,0|1,1,0]=4 5902 B11R0.3 CCCCSCCOCCOC 62a_100000695917_100000210210 [0,2,0,0,0,0|1,1,0]=4 5903 B11R0.3 CCCCSCCOCCOC 7a_200000230436_100000233755 [0,2,0,0,0,0|1,1,0]=4 5904 B11R0.3 CCCNCCCOCCCO 2230a_100011310245_100000210303 [0,2,0,0,0,0|2,0,0]=4 5905 B11R0.3 CCCNCCCOCCCO 34a_100011310245_100000210303 [0,2,0,0,0,0|2,0,0]=4 5906 B11R0.3 CCCNCCCOCCOC 2230a_100000206027_100000210303 [0,2,0,0,0,0|2,0,0]=4 5907 B11R0.3 CCCNCCCOCCOC 34a_100000206027_100000210303 [0,2,0,0,0,0|2,0,0]=4 5908 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [0,2,0,0,0,0|2,0,0]=4 5909 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [0,2,0,0,0,0|2,0,0]=4 5910 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [0,2,0,0,0,0|2,0,0]=4 5911 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [0,2,0,0,0,0|2,0,0]=4 5912 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [0,2,0,0,0,0|2,0,0]=4 5913 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [0,2,0,0,0,0|2,0,0]=4 5914 B11R0.3 CCCOCCCNCCCO 2230a_100011217757_100000230001 [0,2,0,0,0,0|2,0,0]=4 5915 B11R0.3 CCCOCCCNCCCO 34a_100011217757_100000230001 [0,2,0,0,0,0|2,0,0]=4 5916 B11R0.3 CCCOCCCNCCOC 2230a_100011217757_100011201679 [0,2,0,0,0,0|2,0,0]=4 5917 B11R0.3 CCCOCCCNCCOC 34a_100011217757_100011201679 [0,2,0,0,0,0|2,0,0]=4 5918 B11R0.3 CCCOCCCOCCCN 34a_100011310245_100000210303 [0,2,0,0,0,0|2,0,0]=4 5919 B11R0.3 CCCOCCCOCCOC 34a_100000210258_100011216529 [0,2,0,0,0,0|1,0,0]=3 5920 B11R0.3 CCCOCCNCC#CCO 2230a_100161115042_200000047223 [0,2,0,0,0,0|2,0,0]=4 5921 B11R0.3 CCCOCCNCC#CCO 34a_100161115042_200000047223 [0,2,0,0,0,0|2,0,0]=4 5922 B11R0.3 CCCOCCNCCCCO 2230a_100000750430_100011215938 [0,2,0,0,0,0|2,0,0]=4 5923 B11R0.3 CCCOCCNCCCCO 2230a_100161115042_100000210776 [0,2,0,0,0,0|2,0,0]=4 5924 B11R0.3 CCCOCCNCCCCO 34a_100000750430_100011215938 [0,2,0,0,0,0|2,0,0]=4 5925 B11R0.3 CCCOCCNCCCCO 34a_100161115042_100011216708 [0,2,0,0,0,0|2,0,0]=4 5926 B11R0.3 CCCOCCNCCCOC 2230a_100161115042_100000740836 [0,2,0,0,0,0|2,0,0]=4 5927 B11R0.3 CCCOCCNCCCOC 34a_100150723488_100011215938 [0,2,0,0,0,0|2,0,0]=4 5928 B11R0.3 CCCOCCNCCCOC 34a_100161115042_100000740836 [0,2,0,0,0,0|2,0,0]=4 5929 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [0,2,0,0,0,0|2,0,0]=4 5930 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [0,2,0,0,0,0|2,0,0]=4 5931 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [0,2,0,0,0,0|2,0,0]=4 5932 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [0,2,0,0,0,0|2,0,0]=4 5933 B11R0.3 CCCOCCOCC#CCCl 34a_200000047223_100011215938 [0,2,0,0,0,0|2,0,0]=4 5934 B11R0.3 CCCOCCOCC#CCO 34a_100000752267_200000047223 [0,2,0,0,0,0|1,0,0]=3 5935 B11R0.3 CCCOCCOCC#CCO 7a_100000752267_200000047223 [0,2,0,0,0,0|1,0,0]=3 5936 B11R0.3 CCCOCCOCCCC#N 7a_100000752267_100000687738 [0,2,0,0,0,0|2,0,0]=4 5937 B11R0.3 CCCOCCOCCCC=O 7a_100000752267_200011292268 [0,2,0,0,0,0|1,0,1]=4 5938 B11R0.3 CCCOCCOCCCCBr 34a_100011216708_100011215938 [0,2,0,0,0,0|2,0,0]=4 5939 B11R0.3 CCCOCCOCCCCCl 34a_100000210776_100011215938 [0,2,0,0,0,0|2,0,0]=4 5940 B11R0.3 CCCOCCOCCCCCl 7a_100000210776_100011215938 [0,2,0,0,0,0|2,0,0]=4 5941 B11R0.3 CCCOCCOCCCCF 34a_100000752267_100000729493 [0,2,0,0,0,0|2,0,0]=4 5942 B11R0.3 CCCOCCOCCCCF 34a_100011995726_100011215938 [0,2,0,0,0,0|2,0,0]=4 5943 B11R0.3 CCCOCCOCCCCF 7a_100000752267_100000729493 [0,2,0,0,0,0|2,0,0]=4 5944 B11R0.3 CCCOCCOCCCCF 7a_100011995726_100011215938 [0,2,0,0,0,0|2,0,0]=4 5945 B11R0.3 CCCOCCOCCCCI 34a_200012148704_100011215938 [0,2,0,0,0,0|2,0,0]=4 5946 B11R0.3 CCCOCCOCCCCN 34a_100000750430_100011215938 [0,2,0,0,0,0|2,0,0]=4 5947 B11R0.3 CCCOCCOCCCCO 34a_100000752267_100011216708 [0,2,0,0,0,0|1,0,0]=3 5948 B11R0.3 CCCOCCOCCCCO 7a_100000752267_100000210776 [0,2,0,0,0,0|1,0,0]=3 5949 B11R0.3 CCCOCCOCCCNC 34a_100000213112_100011215938 [0,2,0,0,0,0|2,0,0]=4 5950 B11R0.3 CCCOCCOCCCOC 34a_100000740835_100011215938 [0,2,0,0,0,0|1,0,0]=3 5951 B11R0.3 CCCOCCOCCCOC 34a_100000752267_100000740836 [0,2,0,0,0,0|1,0,0]=3 5952 B11R0.3 CCCOCCOCCCOC 7a_100000752267_100000740836 [0,2,0,0,0,0|1,0,0]=3 5953 B11R0.3 CCCOCCOCCCSC 34a_100000690336_100011215938 [0,2,0,0,0,0|1,1,0]=4 5954 B11R0.3 CCCOCCOCCCSC 7a_100000690336_100011215938 [0,2,0,0,0,0|1,1,0]=4 5955 B11R0.3 CCCOCCOCCNCC 2230a_200011904461_100000210202 [0,2,0,0,0,0|2,0,0]=4 5956 B11R0.3 CCCOCCOCCNCC 34a_200011904461_100000210202 [0,2,0,0,0,0|2,0,0]=4 5957 B11R0.3 CCCOCCOCCNCF 34a_200011904461_100015361967 [0,2,0,0,0,0|2,0,0]=4 5958 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [0,2,0,0,0,0|1,0,0]=3 5959 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [0,2,0,0,0,0|1,0,0]=3 5960 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [0,2,0,0,0,0|1,0,0]=3 5961 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [0,2,0,0,0,0|1,0,0]=3 5962 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [0,2,0,0,0,0|1,0,0]=3 5963 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [0,2,0,0,0,0|1,0,0]=3 5964 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [0,2,0,0,0,0|1,0,0]=3 5965 B11R0.3 CCCOCCOCCSCC 34a_100000212035_100011215938 [0,2,0,0,0,0|1,1,0]=4 5966 B11R0.3 CCCOCCOCCSCC 34a_100000752267_100000757381 [0,2,0,0,0,0|1,1,0]=4 5967 B11R0.3 CCCOCCOCCSCC 7a_100000212035_100011215938 [0,2,0,0,0,0|1,1,0]=4 5968 B11R0.3 CCCOCCOCCSCC 7a_100000752267_100000757381 [0,2,0,0,0,0|1,1,0]=4 5969 B11R0.3 CCCOCCSCC#CCO 62a_100011215938_200000047223 [0,2,0,0,0,0|1,1,0]=4 5970 B11R0.3 CCCOCCSCC#CCO 62a_200000047223_100011215938 [0,2,0,0,0,0|1,1,0]=4 5971 B11R0.3 CCCOCCSCCCCO 62a_100000210776_100011215938 [0,2,0,0,0,0|1,1,0]=4 5972 B11R0.3 CCCOCCSCCCCO 62a_100011215938_100000210776 [0,2,0,0,0,0|1,1,0]=4 5973 B11R0.3 CCCOCCSCCCOC 62a_100000709357_100011215938 [0,2,0,0,0,0|1,1,0]=4 5974 B11R0.3 CCCOCCSCCCOC 62a_100011215938_100000709357 [0,2,0,0,0,0|1,1,0]=4 5975 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [0,2,0,0,0,0|1,1,0]=4 5976 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [0,2,0,0,0,0|1,1,0]=4 5977 B11R0.3 CCCSCCCOCCOC 62a_100000210303_100011216529 [0,2,0,0,0,0|1,1,0]=4 5978 B11R0.3 CCCSCCCOCCOC 62a_100011216529_100000210303 [0,2,0,0,0,0|1,1,0]=4 5979 B11R0.3 CCCSCCOCC#CCO 34a_200000230433_200000047223 [0,2,0,0,0,0|1,1,0]=4 5980 B11R0.3 CCCSCCOCC#CCO 7a_200000230433_200000047223 [0,2,0,0,0,0|1,1,0]=4 5981 B11R0.3 CCCSCCOCCCCO 34a_200000230433_100011216708 [0,2,0,0,0,0|1,1,0]=4 5982 B11R0.3 CCCSCCOCCCCO 7a_200000230433_100000210776 [0,2,0,0,0,0|1,1,0]=4 5983 B11R0.3 CCCSCCOCCCOC 34a_200000230433_100000740836 [0,2,0,0,0,0|1,1,0]=4 5984 B11R0.3 CCCSCCOCCCOC 7a_200000230433_100000740836 [0,2,0,0,0,0|1,1,0]=4 5985 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [0,2,0,0,0,0|1,1,0]=4 5986 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [0,2,0,0,0,0|1,1,0]=4 5987 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [0,2,0,0,0,0|1,1,0]=4 5988 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [0,2,0,0,0,0|1,1,0]=4 5989 B11R0.3 CCNCCOCCOCCO 2230a_100011998139_100000210202 [0,2,0,0,0,0|1,0,0]=3 5990 B11R0.3 CCNCCOCCOCCO 2230a_100015525214_100000032323 [0,2,0,0,0,0|1,0,0]=3 5991 B11R0.3 CCNCCOCCOCCO 34a_100011998139_100000210202 [0,2,0,0,0,0|1,0,0]=3 5992 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [0,2,0,0,0,0|2,0,0]=4 5993 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [0,2,0,0,0,0|2,0,0]=4 5994 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [0,2,0,0,0,0|2,0,0]=4 5995 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [0,2,0,0,0,0|2,0,0]=4 5996 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [0,2,0,0,0,0|2,0,0]=4 5997 B11R0.3 CCOCCNCCOCCO 2230a_100000211614_100011215890 [0,2,0,0,0,0|1,0,0]=3 5998 B11R0.3 CCOCCNCCOCCO 2230a_102516460346_100011215305 [0,2,0,0,0,0|1,0,0]=3 5999 B11R0.3 CCOCCNCCOCCO 34a_100000211614_100000210147 [0,2,0,0,0,0|1,0,0]=3 6000 B11R0.3 CCOCCNCCOCCO 34a_102516460346_100000692535 [0,2,0,0,0,0|1,0,0]=3 6001 B11R0.3 CCOCCNCCSCCO 2230a_100011219999_100011215890 [0,2,0,0,0,0|1,1,0]=4 6002 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [0,2,0,0,0,0|2,0,0]=4 6003 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [0,2,0,0,0,0|2,0,0]=4 6004 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [0,2,0,0,0,0|2,0,0]=4 6005 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [0,2,0,0,0,0|2,0,0]=4 6006 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [0,2,0,0,0,0|2,0,0]=4 6007 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [0,2,0,0,0,0|2,0,0]=4 6008 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [0,2,0,0,0,0|2,0,0]=4 6009 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [0,2,0,0,0,0|2,0,0]=4 6010 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [0,2,0,0,0,0|2,0,0]=4 6011 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [0,2,0,0,0,0|1,0,0]=3 6012 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [0,2,0,0,0,0|1,0,0]=3 6013 B11R0.3 CCOCCOCCNCCF 2230a_100102712874_100011217306 [0,2,0,0,0,0|2,0,0]=4 6014 B11R0.3 CCOCCOCCNCCF 34a_100000724931_100011211534 [0,2,0,0,0,0|2,0,0]=4 6015 B11R0.3 CCOCCOCCNCCF 34a_100102712874_100011217306 [0,2,0,0,0,0|2,0,0]=4 6016 B11R0.3 CCOCCOCCNCCO 2230a_100016997473_100011211534 [0,2,0,0,0,0|1,0,0]=3 6017 B11R0.3 CCOCCOCCNCCO 2230a_100102712874_100000211926 [0,2,0,0,0,0|1,0,0]=3 6018 B11R0.3 CCOCCOCCNCCO 34a_100016990907_100011211534 [0,2,0,0,0,0|1,0,0]=3 6019 B11R0.3 CCOCCOCCNCCO 34a_100102712874_100000211926 [0,2,0,0,0,0|1,0,0]=3 6020 B11R0.3 CCOCCOCCOCC#N 7a_100000210136_200000047693 [0,2,0,0,0,0|1,0,1]=4 6021 B11R0.3 CCOCCOCCOCC#N 7a_100000210240_100011215382 [0,2,0,0,0,0|1,0,1]=4 6022 B11R0.3 CCOCCOCCOCC=O 34a_100000210240_200009817547 [0,2,0,0,0,0|0,0,2]=4 6023 B11R0.3 CCOCCOCCOCC=O 7a_100000210240_200015260668 [0,2,0,0,0,0|0,0,2]=4 6024 B11R0.3 CCOCCOCCOCCBr 34a_100000211926_100011211534 [0,2,0,0,0,0|1,0,0]=3 6025 B11R0.3 CCOCCOCCOCCBr 34a_100000692535_100000210147 [0,2,0,0,0,0|1,0,0]=3 6026 B11R0.3 CCOCCOCCOCCBr 34a_100010132937_100000210202 [0,2,0,0,0,0|1,0,0]=3 6027 B11R0.3 CCOCCOCCOCCBr 7a_100000692535_100011215890 [0,2,0,0,0,0|1,0,0]=3 6028 B11R0.3 CCOCCOCCOCCBr 7a_100010132937_100000210202 [0,2,0,0,0,0|1,0,0]=3 6029 B11R0.3 CCOCCOCCOCCCl 34a_100000032323_100000210202 [0,2,0,0,0,0|1,0,0]=3 6030 B11R0.3 CCOCCOCCOCCCl 34a_100011215305_100000210147 [0,2,0,0,0,0|1,0,0]=3 6031 B11R0.3 CCOCCOCCOCCCl 7a_100000032323_100000210202 [0,2,0,0,0,0|1,0,0]=3 6032 B11R0.3 CCOCCOCCOCCCl 7a_100011215305_100011215890 [0,2,0,0,0,0|1,0,0]=3 6033 B11R0.3 CCOCCOCCOCCF 34a_100000210240_100011217306 [0,2,0,0,0,0|1,0,0]=3 6034 B11R0.3 CCOCCOCCOCCF 34a_200015357709_100000210147 [0,2,0,0,0,0|1,0,0]=3 6035 B11R0.3 CCOCCOCCOCCF 7a_100000210240_100011217306 [0,2,0,0,0,0|1,0,0]=3 6036 B11R0.3 CCOCCOCCOCCF 7a_200015357709_100011215890 [0,2,0,0,0,0|1,0,0]=3 6037 B11R0.3 CCOCCOCCOCCI 34a_100012149058_100000210147 [0,2,0,0,0,0|1,0,0]=3 6038 B11R0.3 CCOCCOCCOCCI 7a_100012149058_100011215890 [0,2,0,0,0,0|1,0,0]=3 6039 B11R0.3 CCOCCOCCOCCN 34a_100000210304_100011211534 [0,2,0,0,0,0|1,0,0]=3 6040 B11R0.3 CCOCCOCCOCCN 34a_100000211614_100000210147 [0,2,0,0,0,0|1,0,0]=3 6041 B11R0.3 CCOCCOCCOCCN 34a_100011998139_100000210202 [0,2,0,0,0,0|1,0,0]=3 6042 B11R0.3 CCOCCOCCOCCO 34a_100000210136_100000692535 [0,2,0,0,0,0|0,0,0]=2 6043 B11R0.3 CCOCCOCCOCCO 34a_100000210240_100000211926 [0,2,0,0,0,0|0,0,0]=2 6044 B11R0.3 CCOCCOCCOCCO 34a_100121572206_100000032323 [0,2,0,0,0,0|0,0,0]=2 6045 B11R0.3 CCOCCOCCOCCO 7a_100000210136_100011215305 [0,2,0,0,0,0|0,0,0]=2 6046 B11R0.3 CCOCCOCCOCCO 7a_100000210240_100000211926 [0,2,0,0,0,0|0,0,0]=2 6047 B11R0.3 CCOCCOCCOCSC 34a_100000210240_100011218213 [0,2,0,0,0,0|2,0,0]=4 6048 B11R0.3 CCOCCOCCSCCF 62a_100011211534_100011217306 [0,2,0,0,0,0|1,1,0]=4 6049 B11R0.3 CCOCCOCCSCCF 62a_100011217306_100011211534 [0,2,0,0,0,0|1,1,0]=4 6050 B11R0.3 CCOCCOCCSCCO 62a_100000211926_100011211534 [0,2,0,0,0,0|0,1,0]=3 6051 B11R0.3 CCOCCOCCSCCO 62a_100011211534_100000211926 [0,2,0,0,0,0|0,1,0]=3 6052 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [0,2,0,0,0,0|1,1,0]=4 6053 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [0,2,0,0,0,0|1,1,0]=4 6054 B11R0.3 CCOCCSCCOCCO 62a_100000210147_100011215305 [0,2,0,0,0,0|0,1,0]=3 6055 B11R0.3 CCOCCSCCOCCO 62a_100011215305_100011215890 [0,2,0,0,0,0|0,1,0]=3 6056 B11R0.3 CCOCSCCOCCOC 62a_100000695917_100000739092 [0,2,0,0,0,0|1,1,0]=4 6057 B11R0.3 CCOCSCCOCCOC 62a_100000739092_100000695917 [0,2,0,0,0,0|1,1,0]=4 6058 B11R0.3 CCSCCNCCOCCO 2230a_100000106463_100011215305 [0,2,0,0,0,0|1,1,0]=4 6059 B11R0.3 CCSCCNCCOCCO 2230a_100000211614_100000757381 [0,2,0,0,0,0|1,1,0]=4 6060 B11R0.3 CCSCCNCCOCCO 34a_100000211614_100000757381 [0,2,0,0,0,0|1,1,0]=4 6061 B11R0.3 CCSCCOCCCCCO 34a_100000212035_100000746330 [0,2,0,0,0,0|1,1,0]=4 6062 B11R0.3 CCSCCOCCCCCO 7a_100000212035_100000746330 [0,2,0,0,0,0|1,1,0]=4 6063 B11R0.3 CCSCCOCCOCCBr 34a_100000692535_100000757381 [0,2,0,0,0,0|1,1,0]=4 6064 B11R0.3 CCSCCOCCOCCBr 7a_100000692535_100000757381 [0,2,0,0,0,0|1,1,0]=4 6065 B11R0.3 CCSCCOCCOCCCl 34a_100011215305_100000757381 [0,2,0,0,0,0|1,1,0]=4 6066 B11R0.3 CCSCCOCCOCCCl 7a_100011215305_100000757381 [0,2,0,0,0,0|1,1,0]=4 6067 B11R0.3 CCSCCOCCOCCF 34a_200015357709_100000757381 [0,2,0,0,0,0|1,1,0]=4 6068 B11R0.3 CCSCCOCCOCCF 7a_200015357709_100000757381 [0,2,0,0,0,0|1,1,0]=4 6069 B11R0.3 CCSCCOCCOCCI 34a_100012149058_100000757381 [0,2,0,0,0,0|1,1,0]=4 6070 B11R0.3 CCSCCOCCOCCI 7a_100012149058_100000757381 [0,2,0,0,0,0|1,1,0]=4 6071 B11R0.3 CCSCCOCCOCCN 34a_100000211614_100000757381 [0,2,0,0,0,0|1,1,0]=4 6072 B11R0.3 CCSCCOCCOCCO 34a_100000212035_100000692535 [0,2,0,0,0,0|0,1,0]=3 6073 B11R0.3 CCSCCOCCOCCO 62a_100000032323_100000210202 [0,2,0,0,0,0|0,1,0]=3 6074 B11R0.3 CCSCCOCCOCCO 62a_100000210202_100000032323 [0,2,0,0,0,0|0,1,0]=3 6075 B11R0.3 CCSCCOCCOCCO 7a_100000212035_100011215305 [0,2,0,0,0,0|0,1,0]=3 6076 B11R0.3 CCSCCSCCOCCO 62a_100000757381_100011215305 [0,2,0,0,0,0|0,2,0]=4 6077 B11R0.3 CCSCCSCCOCCO 62a_100011215305_100000757381 [0,2,0,0,0,0|0,2,0]=4 6078 B11R0.3 CNCCCCCOCCCO 34a_100000722520_100000230001 [0,2,0,0,0,0|2,0,0]=4 6079 B11R0.3 CNCCCCCOCCOC 34a_100000722520_100011201679 [0,2,0,0,0,0|2,0,0]=4 6080 B11R0.3 CNCCCOCCCCCO 34a_100000213112_100000746330 [0,2,0,0,0,0|2,0,0]=4 6081 B11R0.3 CNCCCOCCOCCO 2230a_100011996194_200000210301 [0,2,0,0,0,0|1,0,0]=3 6082 B11R0.3 CNCCCOCCOCCO 34a_100000213112_100000692535 [0,2,0,0,0,0|1,0,0]=3 6083 B11R0.3 CNCCCOCCOCCO 34a_100011996194_200000210301 [0,2,0,0,0,0|1,0,0]=3 6084 B11R0.3 CNCCOCCOCCCF 34a_100000228057_100011934791 [0,2,0,0,0,0|2,0,0]=4 6085 B11R0.3 CNCCOCCOCCCO 34a_100000228057_100000230001 [0,2,0,0,0,0|1,0,0]=3 6086 B11R0.3 CNCCOCCOCCOC 2230a_100012028300_200000210301 [0,2,0,0,0,0|1,0,0]=3 6087 B11R0.3 CNCCOCCOCCOC 2230a_106832991635_100013367474 [0,2,0,0,0,0|1,0,0]=3 6088 B11R0.3 CNCCOCCOCCOC 34a_100000228057_100011201679 [0,2,0,0,0,0|1,0,0]=3 6089 B11R0.3 CNCCOCCOCCOC 34a_100012028300_200000210301 [0,2,0,0,0,0|1,0,0]=3 6090 B11R0.3 CNCCOCCOCCOC 34a_100102657272_100013367474 [0,2,0,0,0,0|1,0,0]=3 6091 B11R0.3 CNCCOCCOCCOC 34a_200014138305_200000210301 [0,2,0,0,0,0|1,0,0]=3 6092 B11R0.3 CNCCOCCOCCOC 7a_106832991635_100013367474 [0,2,0,0,0,0|1,0,0]=3 6093 B11R0.3 CNCCOCCOCCO[13CH3] 34a_200014138305_200025704644 [0,2,0,0,0,0|1,0,0]=3 6094 B11R0.3 CNCCOCCOCCSC 34a_100000228057_100000212216 [0,2,0,0,0,0|1,1,0]=4 6095 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [0,2,0,0,0,0|2,0,0]=4 6096 B11R0.3 COCCCCCCNCCO 2230a_100016997473_100011998445 [0,2,0,0,0,0|2,0,0]=4 6097 B11R0.3 COCCCCCCNCCO 34a_100016990907_100011998445 [0,2,0,0,0,0|2,0,0]=4 6098 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [0,2,0,0,0,0|2,0,0]=4 6099 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [0,2,0,0,0,0|2,0,0]=4 6100 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [0,2,0,0,0,0|2,0,0]=4 6101 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [0,2,0,0,0,0|2,0,0]=4 6102 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [0,2,0,0,0,0|1,0,0]=3 6103 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [0,2,0,0,0,0|1,0,0]=3 6104 B11R0.3 COCCCCCCSCCO 62a_100000211926_100011998445 [0,2,0,0,0,0|1,1,0]=4 6105 B11R0.3 COCCCCCCSCCO 62a_100011998445_100000211926 [0,2,0,0,0,0|1,1,0]=4 6106 B11R0.3 COCCCCCNCCCO 2230a_100000747528_100000230001 [0,2,0,0,0,0|2,0,0]=4 6107 B11R0.3 COCCCCCNCCCO 34a_100000747528_100000230001 [0,2,0,0,0,0|2,0,0]=4 6108 B11R0.3 COCCCCCNCCOC 2230a_100000747528_100011201679 [0,2,0,0,0,0|2,0,0]=4 6109 B11R0.3 COCCCCCNCCOC 34a_100000747528_100011201679 [0,2,0,0,0,0|2,0,0]=4 6110 B11R0.3 COCCCCNCCCCO 2230a_100000750430_100000730899 [0,2,0,0,0,0|2,0,0]=4 6111 B11R0.3 COCCCCNCCCCO 34a_100000750430_100000755781 [0,2,0,0,0,0|2,0,0]=4 6112 B11R0.3 COCCCCOCCCCO 34a_100000740925_100011216708 [0,2,0,0,0,0|2,0,0]=4 6113 B11R0.3 COCCCCSCCCCO 62a_100000210776_100000730899 [0,2,0,0,0,0|2,0,0]=4 6114 B11R0.3 COCCCCSCCCCO 62a_100000730899_100000210776 [0,2,0,0,0,0|2,0,0]=4 6115 B11R0.3 COCCCNCCCCCO 2230a_100000762737_100000740836 [0,2,0,0,0,0|2,0,0]=4 6116 B11R0.3 COCCCNCCCCCO 34a_100000762737_100000740836 [0,2,0,0,0,0|2,0,0]=4 6117 B11R0.3 COCCCNCCCCCO 34a_100150723488_100000746330 [0,2,0,0,0,0|2,0,0]=4 6118 B11R0.3 COCCCNCCOCCO 2230a_100000211614_100000740836 [0,2,0,0,0,0|1,0,0]=3 6119 B11R0.3 COCCCNCCOCCO 34a_100000211614_100000740836 [0,2,0,0,0,0|1,0,0]=3 6120 B11R0.3 COCCCNCCOCCO 34a_100150723488_100000692535 [0,2,0,0,0,0|1,0,0]=3 6121 B11R0.3 COCCCNCCSCCO 2230a_100011219999_100000740836 [0,2,0,0,0,0|1,1,0]=4 6122 B11R0.3 COCCCOCCCCCBr 34a_100000746331_100000740836 [0,2,0,0,0,0|2,0,0]=4 6123 B11R0.3 COCCCOCCCCCBr 7a_100000746331_100000740836 [0,2,0,0,0,0|2,0,0]=4 6124 B11R0.3 COCCCOCCCCCCl 34a_100000746330_100000740836 [0,2,0,0,0,0|2,0,0]=4 6125 B11R0.3 COCCCOCCCCCCl 7a_100000746330_100000740836 [0,2,0,0,0,0|2,0,0]=4 6126 B11R0.3 COCCCOCCCCCF 34a_100000740835_100000729378 [0,2,0,0,0,0|2,0,0]=4 6127 B11R0.3 COCCCOCCCCCI 34a_200012148887_100000740836 [0,2,0,0,0,0|2,0,0]=4 6128 B11R0.3 COCCCOCCCCCI 7a_200012148887_100000740836 [0,2,0,0,0,0|2,0,0]=4 6129 B11R0.3 COCCCOCCCCCN 34a_100000762737_100000740836 [0,2,0,0,0,0|2,0,0]=4 6130 B11R0.3 COCCCOCCCCCO 34a_100000740835_100000746330 [0,2,0,0,0,0|1,0,0]=3 6131 B11R0.3 COCCCOCCOCCBr 34a_100000692535_100000740836 [0,2,0,0,0,0|1,0,0]=3 6132 B11R0.3 COCCCOCCOCCBr 7a_100000692535_100000740836 [0,2,0,0,0,0|1,0,0]=3 6133 B11R0.3 COCCCOCCOCCCl 34a_100011215305_100000740836 [0,2,0,0,0,0|1,0,0]=3 6134 B11R0.3 COCCCOCCOCCCl 7a_100011215305_100000740836 [0,2,0,0,0,0|1,0,0]=3 6135 B11R0.3 COCCCOCCOCCF 34a_200015357709_100000740836 [0,2,0,0,0,0|1,0,0]=3 6136 B11R0.3 COCCCOCCOCCF 7a_200015357709_100000740836 [0,2,0,0,0,0|1,0,0]=3 6137 B11R0.3 COCCCOCCOCCI 34a_100012149058_100000740836 [0,2,0,0,0,0|1,0,0]=3 6138 B11R0.3 COCCCOCCOCCI 7a_100012149058_100000740836 [0,2,0,0,0,0|1,0,0]=3 6139 B11R0.3 COCCCOCCOCCN 34a_100000211614_100000740836 [0,2,0,0,0,0|1,0,0]=3 6140 B11R0.3 COCCCOCCOCCO 34a_100000740835_100000692535 [0,2,0,0,0,0|0,0,0]=2 6141 B11R0.3 COCCCSCCCCCO 62a_100000709357_100000746330 [0,2,0,0,0,0|1,1,0]=4 6142 B11R0.3 COCCCSCCCCCO 62a_100000746330_100000709357 [0,2,0,0,0,0|1,1,0]=4 6143 B11R0.3 COCCCSCCOCCO 62a_100000709357_100011215305 [0,2,0,0,0,0|0,1,0]=3 6144 B11R0.3 COCCCSCCOCCO 62a_100011215305_100000709357 [0,2,0,0,0,0|0,1,0]=3 6145 B11R0.3 COCCCSCOCCOC 62a_100000231047_100000709357 [0,2,0,0,0,0|2,0,0]=4 6146 B11R0.3 COCCCSCOCCOC 62a_100000709357_100000231047 [0,2,0,0,0,0|2,0,0]=4 6147 B11R0.3 COCCNCCCCCCO 2230a_100000209980_100000766143 [0,2,0,0,0,0|2,0,0]=4 6148 B11R0.3 COCCNCCCCCCO 2230a_100000686447_100011201679 [0,2,0,0,0,0|2,0,0]=4 6149 B11R0.3 COCCNCCCCCCO 34a_100000686447_100011201679 [0,2,0,0,0,0|2,0,0]=4 6150 B11R0.3 COCCNCCOCCOC 2230a_100000209980_100000695917 [0,2,0,0,0,0|1,0,0]=3 6151 B11R0.3 COCCNCCOCCOC 2230a_100000745349_100011201679 [0,2,0,0,0,0|1,0,0]=3 6152 B11R0.3 COCCNCCOCCOC 34a_100000745349_100011201679 [0,2,0,0,0,0|1,0,0]=3 6153 B11R0.3 COCCOCCCCCCBr 34a_100011215345_100011201679 [0,2,0,0,0,0|2,0,0]=4 6154 B11R0.3 COCCOCCCCCCBr 7a_100011215345_100000233755 [0,2,0,0,0,0|2,0,0]=4 6155 B11R0.3 COCCOCCCCCCCl 34a_100000766143_100011201679 [0,2,0,0,0,0|2,0,0]=4 6156 B11R0.3 COCCOCCCCCCCl 7a_100000766143_100000233755 [0,2,0,0,0,0|2,0,0]=4 6157 B11R0.3 COCCOCCCCCCF 34a_100000210237_100015922095 [0,2,0,0,0,0|2,0,0]=4 6158 B11R0.3 COCCOCCCCCCF 34a_100000732779_100011201679 [0,2,0,0,0,0|2,0,0]=4 6159 B11R0.3 COCCOCCCCCCF 7a_100000732779_100000233755 [0,2,0,0,0,0|2,0,0]=4 6160 B11R0.3 COCCOCCCCCCN 34a_100000686447_100011201679 [0,2,0,0,0,0|2,0,0]=4 6161 B11R0.3 COCCOCCCCCCO 34a_100000210237_100000766143 [0,2,0,0,0,0|1,0,0]=3 6162 B11R0.3 COCCOCCCNCCF 2230a_100000206027_100011217306 [0,2,0,0,0,0|2,0,0]=4 6163 B11R0.3 COCCOCCCNCCF 34a_100000206027_100011217306 [0,2,0,0,0,0|2,0,0]=4 6164 B11R0.3 COCCOCCCNCCF 34a_100000724931_100011216529 [0,2,0,0,0,0|2,0,0]=4 6165 B11R0.3 COCCOCCCNCCO 2230a_100000206027_100000211926 [0,2,0,0,0,0|1,0,0]=3 6166 B11R0.3 COCCOCCCNCCO 2230a_100016997473_100011216529 [0,2,0,0,0,0|1,0,0]=3 6167 B11R0.3 COCCOCCCNCCO 34a_100000206027_100000211926 [0,2,0,0,0,0|1,0,0]=3 6168 B11R0.3 COCCOCCCNCCO 34a_100016990907_100011216529 [0,2,0,0,0,0|1,0,0]=3 6169 B11R0.3 COCCOCCCNCOC 2230a_100000206027_100000766300 [0,2,0,0,0,0|2,0,0]=4 6170 B11R0.3 COCCOCCCOCCBr 34a_100000211926_100011216529 [0,2,0,0,0,0|1,0,0]=3 6171 B11R0.3 COCCOCCCOCCN 34a_100000210304_100011216529 [0,2,0,0,0,0|1,0,0]=3 6172 B11R0.3 COCCOCCCSCCF 62a_100011216529_100011217306 [0,2,0,0,0,0|1,1,0]=4 6173 B11R0.3 COCCOCCCSCCF 62a_100011217306_100011216529 [0,2,0,0,0,0|1,1,0]=4 6174 B11R0.3 COCCOCCCSCCO 62a_100000211926_100011216529 [0,2,0,0,0,0|0,1,0]=3 6175 B11R0.3 COCCOCCCSCCO 62a_100011216529_100000211926 [0,2,0,0,0,0|0,1,0]=3 6176 B11R0.3 COCCOCCCSCOC 62a_100000766300_100011216529 [0,2,0,0,0,0|2,0,0]=4 6177 B11R0.3 COCCOCCCSCOC 62a_100011216529_100000766300 [0,2,0,0,0,0|2,0,0]=4 6178 B11R0.3 COCCOCCNCCC#N 2230a_100000745349_100011215226 [0,2,0,0,0,0|2,0,0]=4 6179 B11R0.3 COCCOCCNCCCF 2230a_100000745349_100011934791 [0,2,0,0,0,0|2,0,0]=4 6180 B11R0.3 COCCOCCNCCCF 2230a_100015189416_100000695917 [0,2,0,0,0,0|2,0,0]=4 6181 B11R0.3 COCCOCCNCCCF 34a_100000745349_100011934791 [0,2,0,0,0,0|2,0,0]=4 6182 B11R0.3 COCCOCCNCCCF 34a_100015189416_100000695917 [0,2,0,0,0,0|2,0,0]=4 6183 B11R0.3 COCCOCCNCCCO 2230a_100000745349_100000230001 [0,2,0,0,0,0|1,0,0]=3 6184 B11R0.3 COCCOCCNCCCO 34a_100000745349_100000230001 [0,2,0,0,0,0|1,0,0]=3 6185 B11R0.3 COCCOCCNCCSC 2230a_100000745349_100000751147 [0,2,0,0,0,0|1,1,0]=4 6186 B11R0.3 COCCOCCNCCSC 2230a_100020590264_100000695917 [0,2,0,0,0,0|1,1,0]=4 6187 B11R0.3 COCCOCCNCCSC 34a_100000745349_100000212216 [0,2,0,0,0,0|1,1,0]=4 6188 B11R0.3 COCCOCCOCCC#N 7a_100011215163_100000184422 [0,2,0,0,0,0|1,0,0]=3 6189 B11R0.3 COCCOCCOCCCBr 34a_100011217188_100000695917 [0,2,0,0,0,0|1,0,0]=3 6190 B11R0.3 COCCOCCOCCCCl 34a_100000230001_100000695917 [0,2,0,0,0,0|1,0,0]=3 6191 B11R0.3 COCCOCCOCCCF 34a_100000759539_100000695917 [0,2,0,0,0,0|1,0,0]=3 6192 B11R0.3 COCCOCCOCCCF 34a_100011215163_100011934791 [0,2,0,0,0,0|1,0,0]=3 6193 B11R0.3 COCCOCCOCCCF 7a_100011215163_100011934791 [0,2,0,0,0,0|1,0,0]=3 6194 B11R0.3 COCCOCCOCCCN 34a_100000182051_100000695917 [0,2,0,0,0,0|1,0,0]=3 6195 B11R0.3 COCCOCCOCCCN 34a_100011996194_200000210301 [0,2,0,0,0,0|1,0,0]=3 6196 B11R0.3 COCCOCCOCCCO 34a_100011215163_100000230001 [0,2,0,0,0,0|0,0,0]=2 6197 B11R0.3 COCCOCCOCCCO 7a_100011215163_100011215043 [0,2,0,0,0,0|0,0,0]=2 6198 B11R0.3 COCCOCCOCCN[13CH3] 2230a_100012028300_200025704644 [0,2,0,0,0,0|1,0,0]=3 6199 B11R0.3 COCCOCCOCCN[13CH3] 34a_100012028300_200025704644 [0,2,0,0,0,0|1,0,0]=3 6200 B11R0.3 COCCOCCOCCOC 34a_100000210237_100000695917 [0,2,0,0,0,0|0,0,0]=2 6201 B11R0.3 COCCOCCOCCOC 34a_100000688194_200000210301 [0,2,0,0,0,0|0,0,0]=2 6202 B11R0.3 COCCOCCOCCOC 34a_100011215163_100011201679 [0,2,0,0,0,0|0,0,0]=2 6203 B11R0.3 COCCOCCOCCOC 34a_100138415774_100013367474 [0,2,0,0,0,0|0,0,0]=2 6204 B11R0.3 COCCOCCOCCOC 7a_100000688194_200000210301 [0,2,0,0,0,0|0,0,0]=2 6205 B11R0.3 COCCOCCOCCOC 7a_100011215163_100000233755 [0,2,0,0,0,0|0,0,0]=2 6206 B11R0.3 COCCOCCOCCON 34a_100000700252_100000695917 [0,2,0,0,0,0|0,0,0]=2 6207 B11R0.3 COCCOCCOCCO[13CH3] 34a_100000688194_200025704644 [0,2,0,0,0,0|0,0,0]=2 6208 B11R0.3 COCCOCCOCCO[13CH3] 7a_100000688194_200025704644 [0,2,0,0,0,0|0,0,0]=2 6209 B11R0.3 COCCOCCOCCSC 34a_100000230434_100000695917 [0,2,0,0,0,0|0,1,0]=3 6210 B11R0.3 COCCOCCOCCSC 34a_100011215163_100000212216 [0,2,0,0,0,0|0,1,0]=3 6211 B11R0.3 COCCOCCOCCSC 62a_100013367474_200000210301 [0,2,0,0,0,0|0,1,0]=3 6212 B11R0.3 COCCOCCOCCSC 62a_200000210301_100013367474 [0,2,0,0,0,0|0,1,0]=3 6213 B11R0.3 COCCOCCOCCSC 7a_100000230434_100000695917 [0,2,0,0,0,0|0,1,0]=3 6214 B11R0.3 COCCOCCOCCSC 7a_100011215163_100000212216 [0,2,0,0,0,0|0,1,0]=3 6215 B11R0.3 COCCOCCOCCS[13CH3] 62a_100013367474_200025704644 [0,2,0,0,0,0|0,1,0]=3 6216 B11R0.3 COCCOCCOCCS[13CH3] 62a_200025704644_100013367474 [0,2,0,0,0,0|0,1,0]=3 6217 B11R0.3 COCCOCCSCCC#N 62a_100000695917_100011215226 [0,2,0,0,0,0|1,1,0]=4 6218 B11R0.3 COCCOCCSCCC#N 62a_100011215226_100000695917 [0,2,0,0,0,0|1,1,0]=4 6219 B11R0.3 COCCOCCSCCCF 62a_100000695917_100011934791 [0,2,0,0,0,0|1,1,0]=4 6220 B11R0.3 COCCOCCSCCCF 62a_100011934791_100000695917 [0,2,0,0,0,0|1,1,0]=4 6221 B11R0.3 COCCOCCSCCCO 62a_100000695917_100011215043 [0,2,0,0,0,0|0,1,0]=3 6222 B11R0.3 COCCOCCSCCCO 62a_100011215043_100000695917 [0,2,0,0,0,0|0,1,0]=3 6223 B11R0.3 COCCOCCSCCOC 62a_100000233755_100000695917 [0,2,0,0,0,0|0,1,0]=3 6224 B11R0.3 COCCOCCSCCOC 62a_100000695917_100000233755 [0,2,0,0,0,0|0,1,0]=3 6225 B11R0.3 COCCOCCSCCSC 62a_100000212216_100000695917 [0,2,0,0,0,0|0,2,0]=4 6226 B11R0.3 COCCOCCSCCSC 62a_100000695917_100000751147 [0,2,0,0,0,0|0,2,0]=4 6227 B11R0.3 COCCOCNCCCCO 2230a_100000750430_100000231047 [0,2,0,0,0,0|1,0,0]=3 6228 B11R0.3 COCCOCSCC#CCO 62a_100000231047_200000047223 [0,2,0,0,0,0|1,0,1]=4 6229 B11R0.3 COCCOCSCC#CCO 62a_200000047223_100000231047 [0,2,0,0,0,0|1,0,1]=4 6230 B11R0.3 COCCOCSCCCCF 62a_100000231047_100000729493 [0,2,0,0,0,0|2,0,0]=4 6231 B11R0.3 COCCOCSCCCCF 62a_100000729493_100000231047 [0,2,0,0,0,0|2,0,0]=4 6232 B11R0.3 COCCOCSCCCCO 62a_100000210776_100000231047 [0,2,0,0,0,0|1,0,0]=3 6233 B11R0.3 COCCOCSCCCCO 62a_100000231047_100000210776 [0,2,0,0,0,0|1,0,0]=3 6234 B11R0.3 COCCSCCCCCCO 62a_100000233755_100000766143 [0,2,0,0,0,0|1,1,0]=4 6235 B11R0.3 COCCSCCCCCCO 62a_100000766143_100000233755 [0,2,0,0,0,0|1,1,0]=4 6236 B11R0.3 COCNCCCCCCCO 2230a_100011996573_100000766300 [0,2,0,0,0,0|2,0,0]=4 6237 B11R0.3 COCNCCCOCCCO 2230a_100011310245_100000766300 [0,2,0,0,0,0|2,0,0]=4 6238 B11R0.3 COCSCCCCCCCO 62a_100000760002_100000766300 [0,2,0,0,0,0|2,0,0]=4 6239 B11R0.3 COCSCCCCCCCO 62a_100000766300_100000760002 [0,2,0,0,0,0|2,0,0]=4 6240 B11R0.3 CSCCCNCCOCCO 2230a_100000749238_100011215305 [0,2,0,0,0,0|1,1,0]=4 6241 B11R0.3 CSCCCOCCCCCO 34a_100000690336_100000746330 [0,2,0,0,0,0|1,1,0]=4 6242 B11R0.3 CSCCCOCCCCCO 7a_100000690336_100000746330 [0,2,0,0,0,0|1,1,0]=4 6243 B11R0.3 CSCCCOCCOCCO 34a_100000690336_100000692535 [0,2,0,0,0,0|0,1,0]=3 6244 B11R0.3 CSCCCOCCOCCO 7a_100000690336_100011215305 [0,2,0,0,0,0|0,1,0]=3 6245 B11R0.3 CSCCOCCCCCCO 34a_100000230434_100000766143 [0,2,0,0,0,0|1,1,0]=4 6246 B11R0.3 CSCCOCCCCCCO 7a_100000230434_100000766143 [0,2,0,0,0,0|1,1,0]=4 6247 B11R0.3 FCCCCOCCOCCBr 34a_100000692535_100000729493 [0,2,0,0,0,0|2,0,0]=4 6248 B11R0.3 FCCCCOCCOCCBr 7a_100000692535_100000729493 [0,2,0,0,0,0|2,0,0]=4 6249 B11R0.3 FCCCCOCCOCCCl 34a_100011215305_100000729493 [0,2,0,0,0,0|2,0,0]=4 6250 B11R0.3 FCCCCOCCOCCCl 7a_100011215305_100000729493 [0,2,0,0,0,0|2,0,0]=4 6251 B11R0.3 FCCCCOCCOCCF 34a_200015357709_100000729493 [0,2,0,0,0,0|2,0,0]=4 6252 B11R0.3 FCCCCOCCOCCF 7a_200015357709_100000729493 [0,2,0,0,0,0|2,0,0]=4 6253 B11R0.3 FCCCCOCCOCCI 34a_100012149058_100000729493 [0,2,0,0,0,0|2,0,0]=4 6254 B11R0.3 FCCCCOCCOCCI 7a_100012149058_100000729493 [0,2,0,0,0,0|2,0,0]=4 6255 B11R0.3 FCOCCOCCOCCBr 34a_100010132937_100015361967 [0,2,0,0,0,0|1,0,0]=3 6256 B11R0.3 FCOCCOCCOCCBr 7a_100010132937_100015361967 [0,2,0,0,0,0|1,0,0]=3 6257 B11R0.3 FCOCCOCCOCCCl 34a_100000032323_100015361967 [0,2,0,0,0,0|1,0,0]=3 6258 B11R0.3 FCOCCOCCOCCCl 7a_100000032323_100015361967 [0,2,0,0,0,0|1,0,0]=3 6259 B11R0.3 N#CCCCNCCOCCO 2230a_100000211614_100000687738 [0,2,0,0,0,0|2,0,0]=4 6260 B11R0.3 N#CCCCOCCOCCBr 7a_100000692535_100000687738 [0,2,0,0,0,0|2,0,0]=4 6261 B11R0.3 N#CCCCOCCOCCCl 7a_100011215305_100000687738 [0,2,0,0,0,0|2,0,0]=4 6262 B11R0.3 N#CCCCOCCOCCF 7a_200015357709_100000687738 [0,2,0,0,0,0|2,0,0]=4 6263 B11R0.3 N#CCCCOCCOCCI 7a_100012149058_100000687738 [0,2,0,0,0,0|2,0,0]=4 6264 B11R0.3 N#CCCCSCCOCCO 62a_100000687738_100011215305 [0,2,0,0,0,0|1,1,0]=4 6265 B11R0.3 N#CCCCSCCOCCO 62a_100011215305_100000687738 [0,2,0,0,0,0|1,1,0]=4 6266 B11R0.3 N#CSCCSCCOCCO 62a_100000034367_100011215305 [0,2,0,0,0,0|0,2,0]=4 6267 B11R0.3 N#CSCCSCCOCCO 62a_100011215305_100000034367 [0,2,0,0,0,0|0,2,0]=4 6268 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|2,0,0]=4 6269 B11R0.3 NCCCCCCOCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|2,0,0]=4 6270 B11R0.3 NCCCCCOCC#CCO 34a_100000762737_200000047223 [0,2,0,0,0,0|2,0,0]=4 6271 B11R0.3 NCCCCCOCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|2,0,0]=4 6272 B11R0.3 NCCCCOCCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|2,0,0]=4 6273 B11R0.3 NCCCCOCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|1,0,0]=3 6274 B11R0.3 NCCCOCCCCCCO 34a_100000182051_100000766143 [0,2,0,0,0,0|2,0,0]=4 6275 B11R0.3 NCCCOCCCOCCF 34a_100011310245_100011217306 [0,2,0,0,0,0|2,0,0]=4 6276 B11R0.3 NCCCOCCCOCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 6277 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [0,2,0,0,0,0|2,0,0]=4 6278 B11R0.3 NCCOCCOCC#CCO 34a_100000211614_200000047223 [0,2,0,0,0,0|1,0,0]=3 6279 B11R0.3 NCCOCCOCCCCF 34a_100000211614_100000729493 [0,2,0,0,0,0|2,0,0]=4 6280 B11R0.3 NCCOCCOCCCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|1,0,0]=3 6281 B11R0.3 NCCOCCOCCOCF 34a_100011998139_100015361967 [0,2,0,0,0,0|1,0,0]=3 6282 B11R0.3 NOCCOCCCCCCF 34a_100000700252_100015922095 [0,2,0,0,0,0|2,0,0]=4 6283 B11R0.3 NOCCOCCCCCCO 34a_100000700252_100000766143 [0,2,0,0,0,0|1,0,0]=3 6284 B11R0.3 O=CCCCNCCOCCO 2230a_100000211614_200011292268 [0,2,0,0,0,0|1,0,1]=4 6285 B11R0.3 O=CCCCOCCOCCBr 7a_100000692535_200011292268 [0,2,0,0,0,0|1,0,1]=4 6286 B11R0.3 O=CCCCOCCOCCCl 7a_100011215305_200011292268 [0,2,0,0,0,0|1,0,1]=4 6287 B11R0.3 O=CCCCOCCOCCF 7a_200015357709_200011292268 [0,2,0,0,0,0|1,0,1]=4 6288 B11R0.3 O=CCCCOCCOCCI 7a_100012149058_200011292268 [0,2,0,0,0,0|1,0,1]=4 6289 B11R0.3 O=CCCCSCCOCCO 62a_100011215305_200011292268 [0,2,0,0,0,0|0,1,1]=4 6290 B11R0.3 O=CCCCSCCOCCO 62a_200011292268_100011215305 [0,2,0,0,0,0|0,1,1]=4 6291 B11R0.3 OCC#CCNCCCCCO 2230a_100000762737_200000047223 [0,2,0,0,0,0|2,0,0]=4 6292 B11R0.3 OCC#CCNCCCCCO 34a_100000762737_200000047223 [0,2,0,0,0,0|2,0,0]=4 6293 B11R0.3 OCC#CCNCCOCCO 2230a_100000211614_200000047223 [0,2,0,0,0,0|1,0,0]=3 6294 B11R0.3 OCC#CCNCCOCCO 34a_100000211614_200000047223 [0,2,0,0,0,0|1,0,0]=3 6295 B11R0.3 OCC#CCNCCSCCO 2230a_100011219999_200000047223 [0,2,0,0,0,0|1,1,0]=4 6296 B11R0.3 OCC#CCOCCCCCBr 34a_100000746331_200000047223 [0,2,0,0,0,0|2,0,0]=4 6297 B11R0.3 OCC#CCOCCCCCBr 7a_100000746331_200000047223 [0,2,0,0,0,0|2,0,0]=4 6298 B11R0.3 OCC#CCOCCCCCCl 34a_100000746330_200000047223 [0,2,0,0,0,0|2,0,0]=4 6299 B11R0.3 OCC#CCOCCCCCCl 7a_100000746330_200000047223 [0,2,0,0,0,0|2,0,0]=4 6300 B11R0.3 OCC#CCOCCCCCI 34a_200012148887_200000047223 [0,2,0,0,0,0|2,0,0]=4 6301 B11R0.3 OCC#CCOCCCCCI 7a_200012148887_200000047223 [0,2,0,0,0,0|2,0,0]=4 6302 B11R0.3 OCC#CCOCCOCCBr 34a_100000692535_200000047223 [0,2,0,0,0,0|1,0,0]=3 6303 B11R0.3 OCC#CCOCCOCCBr 7a_100000692535_200000047223 [0,2,0,0,0,0|1,0,0]=3 6304 B11R0.3 OCC#CCOCCOCCCl 34a_100011215305_200000047223 [0,2,0,0,0,0|1,0,0]=3 6305 B11R0.3 OCC#CCOCCOCCCl 7a_100011215305_200000047223 [0,2,0,0,0,0|1,0,0]=3 6306 B11R0.3 OCC#CCOCCOCCF 34a_200015357709_200000047223 [0,2,0,0,0,0|1,0,0]=3 6307 B11R0.3 OCC#CCOCCOCCF 7a_200015357709_200000047223 [0,2,0,0,0,0|1,0,0]=3 6308 B11R0.3 OCC#CCOCCOCCI 34a_100012149058_200000047223 [0,2,0,0,0,0|1,0,0]=3 6309 B11R0.3 OCC#CCOCCOCCI 7a_100012149058_200000047223 [0,2,0,0,0,0|1,0,0]=3 6310 B11R0.3 OCC#CCSCCCCCO 62a_100000746330_200000047223 [0,2,0,0,0,0|1,1,0]=4 6311 B11R0.3 OCC#CCSCCCCCO 62a_200000047223_100000746330 [0,2,0,0,0,0|1,1,0]=4 6312 B11R0.3 OCC#CCSCCOCCO 62a_100011215305_200000047223 [0,2,0,0,0,0|0,1,0]=3 6313 B11R0.3 OCC#CCSCCOCCO 62a_200000047223_100011215305 [0,2,0,0,0,0|0,1,0]=3 6314 B11R0.3 OCCCCCCCNCCO 2230a_100011996573_100000211926 [0,2,0,0,0,0|2,0,0]=4 6315 B11R0.3 OCCCCCCCNCCO 2230a_100016997473_100000760002 [0,2,0,0,0,0|2,0,0]=4 6316 B11R0.3 OCCCCCCCNCCO 34a_100011996573_100000211926 [0,2,0,0,0,0|2,0,0]=4 6317 B11R0.3 OCCCCCCCNCCO 34a_100016990907_100000760002 [0,2,0,0,0,0|2,0,0]=4 6318 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [0,2,0,0,0,0|2,0,0]=4 6319 B11R0.3 OCCCCCCCSCCO 62a_100000211926_100000760002 [0,2,0,0,0,0|1,1,0]=4 6320 B11R0.3 OCCCCCCCSCCO 62a_100000760002_100000211926 [0,2,0,0,0,0|1,1,0]=4 6321 B11R0.3 OCCCCCCNCCCO 2230a_100000686447_100000230001 [0,2,0,0,0,0|2,0,0]=4 6322 B11R0.3 OCCCCCCNCCCO 34a_100000686447_100000230001 [0,2,0,0,0,0|2,0,0]=4 6323 B11R0.3 OCCCCCCOCCCBr 34a_100011217188_100000766143 [0,2,0,0,0,0|2,0,0]=4 6324 B11R0.3 OCCCCCCOCCCCl 34a_100000230001_100000766143 [0,2,0,0,0,0|2,0,0]=4 6325 B11R0.3 OCCCCCCOCCCF 34a_100000759539_100000766143 [0,2,0,0,0,0|2,0,0]=4 6326 B11R0.3 OCCCCCCSCCCO 62a_100000766143_100011215043 [0,2,0,0,0,0|1,1,0]=4 6327 B11R0.3 OCCCCCCSCCCO 62a_100011215043_100000766143 [0,2,0,0,0,0|1,1,0]=4 6328 B11R0.3 OCCCCCNCCCCO 2230a_100000750430_100000746330 [0,2,0,0,0,0|2,0,0]=4 6329 B11R0.3 OCCCCCNCCCCO 2230a_100000762737_100000210776 [0,2,0,0,0,0|2,0,0]=4 6330 B11R0.3 OCCCCCNCCCCO 34a_100000750430_100000746330 [0,2,0,0,0,0|2,0,0]=4 6331 B11R0.3 OCCCCCNCCCCO 34a_100000762737_100011216708 [0,2,0,0,0,0|2,0,0]=4 6332 B11R0.3 OCCCCCOCC#CCCl 34a_200000047223_100000746330 [0,2,0,0,0,0|2,0,0]=4 6333 B11R0.3 OCCCCCOCCCCBr 34a_100011216708_100000746330 [0,2,0,0,0,0|2,0,0]=4 6334 B11R0.3 OCCCCCOCCCCCl 34a_100000210776_100000746330 [0,2,0,0,0,0|2,0,0]=4 6335 B11R0.3 OCCCCCOCCCCCl 7a_100000210776_100000746330 [0,2,0,0,0,0|2,0,0]=4 6336 B11R0.3 OCCCCCOCCCCF 34a_100011995726_100000746330 [0,2,0,0,0,0|2,0,0]=4 6337 B11R0.3 OCCCCCOCCCCF 7a_100011995726_100000746330 [0,2,0,0,0,0|2,0,0]=4 6338 B11R0.3 OCCCCCOCCCCI 34a_200012148704_100000746330 [0,2,0,0,0,0|2,0,0]=4 6339 B11R0.3 OCCCCCSCCCCO 62a_100000210776_100000746330 [0,2,0,0,0,0|1,1,0]=4 6340 B11R0.3 OCCCCCSCCCCO 62a_100000746330_100000210776 [0,2,0,0,0,0|1,1,0]=4 6341 B11R0.3 OCCCCNCCOCCO 2230a_100000211614_100000210776 [0,2,0,0,0,0|1,0,0]=3 6342 B11R0.3 OCCCCNCCOCCO 2230a_100000750430_100011215305 [0,2,0,0,0,0|1,0,0]=3 6343 B11R0.3 OCCCCNCCOCCO 34a_100000211614_100011216708 [0,2,0,0,0,0|1,0,0]=3 6344 B11R0.3 OCCCCNCCOCCO 34a_100000750430_100000692535 [0,2,0,0,0,0|1,0,0]=3 6345 B11R0.3 OCCCCNCCSCCO 2230a_100011219999_100000210776 [0,2,0,0,0,0|1,1,0]=4 6346 B11R0.3 OCCCCOCCCCCBr 34a_100000746331_100011216708 [0,2,0,0,0,0|2,0,0]=4 6347 B11R0.3 OCCCCOCCCCCBr 7a_100000746331_100000210776 [0,2,0,0,0,0|2,0,0]=4 6348 B11R0.3 OCCCCOCCCCCCl 34a_100000746330_100011216708 [0,2,0,0,0,0|2,0,0]=4 6349 B11R0.3 OCCCCOCCCCCCl 7a_100000746330_100000210776 [0,2,0,0,0,0|2,0,0]=4 6350 B11R0.3 OCCCCOCCCCCI 34a_200012148887_100011216708 [0,2,0,0,0,0|2,0,0]=4 6351 B11R0.3 OCCCCOCCCCCI 7a_200012148887_100000210776 [0,2,0,0,0,0|2,0,0]=4 6352 B11R0.3 OCCCCOCCOCCBr 34a_100000692535_100011216708 [0,2,0,0,0,0|1,0,0]=3 6353 B11R0.3 OCCCCOCCOCCBr 7a_100000692535_100000210776 [0,2,0,0,0,0|1,0,0]=3 6354 B11R0.3 OCCCCOCCOCCCl 34a_100011215305_100011216708 [0,2,0,0,0,0|1,0,0]=3 6355 B11R0.3 OCCCCOCCOCCCl 7a_100011215305_100000210776 [0,2,0,0,0,0|1,0,0]=3 6356 B11R0.3 OCCCCOCCOCCF 34a_200015357709_100011216708 [0,2,0,0,0,0|1,0,0]=3 6357 B11R0.3 OCCCCOCCOCCF 7a_200015357709_100000210776 [0,2,0,0,0,0|1,0,0]=3 6358 B11R0.3 OCCCCOCCOCCI 34a_100012149058_100011216708 [0,2,0,0,0,0|1,0,0]=3 6359 B11R0.3 OCCCCOCCOCCI 7a_100012149058_100000210776 [0,2,0,0,0,0|1,0,0]=3 6360 B11R0.3 OCCCCSCCOCCO 62a_100000210776_100011215305 [0,2,0,0,0,0|0,1,0]=3 6361 B11R0.3 OCCCCSCCOCCO 62a_100011215305_100000210776 [0,2,0,0,0,0|0,1,0]=3 6362 B11R0.3 OCCCOCCCCCCBr 34a_100011215345_100000230001 [0,2,0,0,0,0|2,0,0]=4 6363 B11R0.3 OCCCOCCCCCCBr 7a_100011215345_100011215043 [0,2,0,0,0,0|2,0,0]=4 6364 B11R0.3 OCCCOCCCCCCCl 34a_100000766143_100000230001 [0,2,0,0,0,0|2,0,0]=4 6365 B11R0.3 OCCCOCCCCCCCl 7a_100000766143_100011215043 [0,2,0,0,0,0|2,0,0]=4 6366 B11R0.3 OCCCOCCCCCCF 34a_100000732779_100000230001 [0,2,0,0,0,0|2,0,0]=4 6367 B11R0.3 OCCCOCCCCCCF 7a_100000732779_100011215043 [0,2,0,0,0,0|2,0,0]=4 6368 B11R0.3 OCCCOCCCNCCF 2230a_100011310245_100011217306 [0,2,0,0,0,0|2,0,0]=4 6369 B11R0.3 OCCCOCCCNCCF 34a_100011310245_100011217306 [0,2,0,0,0,0|2,0,0]=4 6370 B11R0.3 OCCCOCCCNCCO 2230a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 6371 B11R0.3 OCCCOCCCNCCO 34a_100011310245_100000211926 [0,2,0,0,0,0|1,0,0]=3 6372 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [0,2,0,0,0,0|2,0,0]=4 6373 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [0,2,0,0,0,0|2,0,0]=4 6374 B11R0.3 OCCOCCNCCCCF 2230a_100000211614_100000729493 [0,2,0,0,0,0|2,0,0]=4 6375 B11R0.3 OCCOCCNCCCCF 34a_100000211614_100000729493 [0,2,0,0,0,0|2,0,0]=4 6376 B11R0.3 OCCOCCOCC#CCCl 34a_200000047223_100000692535 [0,2,0,0,0,0|1,0,0]=3 6377 B11R0.3 OCCOCCOCCCCBr 34a_100011216708_100000692535 [0,2,0,0,0,0|1,0,0]=3 6378 B11R0.3 OCCOCCOCCCCCl 34a_100000210776_100000692535 [0,2,0,0,0,0|1,0,0]=3 6379 B11R0.3 OCCOCCOCCCCCl 7a_100000210776_100011215305 [0,2,0,0,0,0|1,0,0]=3 6380 B11R0.3 OCCOCCOCCCCF 34a_100011995726_100000692535 [0,2,0,0,0,0|1,0,0]=3 6381 B11R0.3 OCCOCCOCCCCF 7a_100011995726_100011215305 [0,2,0,0,0,0|1,0,0]=3 6382 B11R0.3 OCCOCCOCCCCI 34a_200012148704_100000692535 [0,2,0,0,0,0|1,0,0]=3 6383 B11R0.3 OCCOCCOCCNCF 34a_100011998139_100015361967 [0,2,0,0,0,0|1,0,0]=3 6384 B11R0.3 OCCOCCOCCSCF 62a_100000032323_100015361967 [0,2,0,0,0,0|0,1,0]=3 6385 B11R0.3 OCCOCCOCCSCF 62a_100015361967_100000032323 [0,2,0,0,0,0|0,1,0]=3 6386 B11R0.3 OCCOCCSCCCCF 62a_100000729493_100011215305 [0,2,0,0,0,0|1,1,0]=4 6387 B11R0.3 OCCOCCSCCCCF 62a_100011215305_100000729493 [0,2,0,0,0,0|1,1,0]=4 6388 B11R0.3 [13CH3]NCCCOCCOCCO 2230a_100011996194_200025704644 [0,2,0,0,0,0|1,0,0]=3 6389 B11R0.3 [13CH3]NCCCOCCOCCO 34a_100011996194_200025704644 [0,2,0,0,0,0|1,0,0]=3 6390 B11R0.3 [13CH3]OCCOCCOCCCN 34a_100011996194_200025704644 [0,2,0,0,0,0|1,0,0]=3 6391 B11R0.3 [N-]=[N+]=NCCOCCNCCO 2230a_100102953956_100000211926 [0,2,0,0,0,0|2,0,0]=4 6392 B11R0.140 C#CCOCC(C)OCCCO 34a_100011025554_100000230001 [0,2,0,0,0,0|1,0,1]=4 6393 B11R0.140 C#CCOCC(C)OCCCO 7a_100011025554_100011215043 [0,2,0,0,0,0|1,0,1]=4 6394 B11R0.140 C#CCOCC(C)OCCOC 34a_100011025554_100011201679 [0,2,0,0,0,0|1,0,1]=4 6395 B11R0.140 C#CCOCC(C)OCCOC 7a_100011025554_100000233755 [0,2,0,0,0,0|1,0,1]=4 6396 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,2,0,0,0,0|2,0,0]=4 6397 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,2,0,0,0,0|2,0,0]=4 6398 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,2,0,0,0,0|2,0,0]=4 6399 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,2,0,0,0,0|2,0,0]=4 6400 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,2,0,0,0,0|2,0,0]=4 6401 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,2,0,0,0,0|2,0,0]=4 6402 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,2,0,0,0,0|2,0,0]=4 6403 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,2,0,0,0,0|2,0,0]=4 6404 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [0,2,0,0,0,0|1,0,1]=4 6405 B11R0.140 CN(CCCCO)CCCCO 2230a_100000717598_100000210776 [0,2,0,0,0,0|2,0,0]=4 6406 B11R0.140 CN(CCCCO)CCCCO 2230a_100012279056_200000210301 [0,2,0,0,0,0|2,0,0]=4 6407 B11R0.140 CN(CCCCO)CCCCO 269982a_100000717598_100000210776 [0,2,0,0,0,0|2,0,0]=4 6408 B11R0.140 CN(CCCCO)CCCCO 34a_100012279056_200000210301 [0,2,0,0,0,0|2,0,0]=4 6409 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,2,0,0,0,0|1,0,1]=4 6410 B11R0.140 COCCNC(=O)COCCO 1626a_100000209980_100000708028 [0,2,0,0,0,0|1,0,1]=4 6411 B11R0.140 COCCNC(=O)COCCO 240690a_100000209980_100000708028 [0,2,0,0,0,0|1,0,1]=4 6412 B11R0.140 COCCOC(=O)CNCCO 2230a_100016997473_200000040189 [0,2,0,0,0,0|1,0,1]=4 6413 B11R0.140 COCCOC(=O)CNCCO 34a_100016990907_200000040189 [0,2,0,0,0,0|1,0,1]=4 6414 B11R0.140 COCCOC(=O)COCCBr 34a_100000211926_200000040189 [0,2,0,0,0,0|1,0,1]=4 6415 B11R0.140 COCCOC(=O)COCCN 34a_100000210304_200000040189 [0,2,0,0,0,0|1,0,1]=4 6416 B11R0.140 COCCOC(=O)CSCCO 62a_100000211926_200000040189 [0,2,0,0,0,0|0,1,1]=4 6417 B11R0.140 COCCOC(=O)CSCCO 62a_200000040189_100000211926 [0,2,0,0,0,0|0,1,1]=4 6418 B11R0.140 NCCCC[C@H](N)COCCO 34a_100016993712_100000211926 [0,2,0,0,0,0|2,0,0]=4 6419 B11R0.140 O=C(CC#CCO)COCCO 1458a_100000708028_200000047223 [0,2,0,0,0,0|1,0,1]=4 6420 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,2,0,0,0,0|2,0,0]=4 6421 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [0,2,0,0,0,0|2,0,0]=4 6422 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,2,0,0,0,0|1,0,0]=3 6423 B11R0.140 O=C(COCCO)NCCCO 240690a_100000182051_100000708028 [0,2,0,0,0,0|1,0,1]=4 6424 B11R0.140 [13CH3]N(CCCCO)CCCCO 2230a_100012279056_200025704644 [0,2,0,0,0,0|2,0,0]=4 6425 B11R0.140 [13CH3]N(CCCCO)CCCCO 34a_100012279056_200025704644 [0,2,0,0,0,0|2,0,0]=4 6426 B11R0.49 C#CC(C)(C)OCCOCCO 34a_100000189450_100000692535 [0,2,0,0,0,0|1,0,1]=4 6427 B11R0.49 C#CC(C)(C)OCCOCCO 7a_100000189450_100011215305 [0,2,0,0,0,0|1,0,1]=4 6428 B11R0.49 C=CC(C)(C)OCCOCCO 34a_100011215311_100000692535 [0,2,0,0,0,0|1,0,1]=4 6429 B11R0.49 C=CC(C)(C)OCCOCCO 7a_100011215311_100011215305 [0,2,0,0,0,0|1,0,1]=4 6430 B11R0.49 CC(C)(C#N)OCCOCCO 34a_200015195151_100000692535 [0,2,0,0,0,0|1,0,1]=4 6431 B11R0.49 CC(C)(CCl)OCCCCCO 7a_100000764493_100000746330 [0,2,0,0,0,0|2,0,0]=4 6432 B11R0.49 CC(C)(CCl)OCCOCCO 7a_100000764493_100011215305 [0,2,0,0,0,0|1,0,0]=3 6433 B11R0.49 CC(C)(CO)CCCNCCO 2230a_100000039164_100000211926 [0,2,0,0,0,0|2,0,0]=4 6434 B11R0.49 CC(C)(CO)NCCCCCO 2230a_100000210608_100000746330 [0,2,0,0,0,0|2,0,0]=4 6435 B11R0.49 CC(C)(CO)NCCOCCO 2230a_100000210608_100011215305 [0,2,0,0,0,0|1,0,0]=3 6436 B11R0.49 CCC(C)(C)NCCOCCO 2230a_100000211385_100011215305 [0,2,0,0,0,0|2,0,0]=4 6437 B11R0.49 CCC(C)(C)OCCCCCO 7a_100000210230_100000746330 [0,2,0,0,0,0|2,0,0]=4 6438 B11R0.49 CCC(C)(C)OCCOCCBr 7a_100000692535_100000210677 [0,2,0,0,0,0|2,0,0]=4 6439 B11R0.49 CCC(C)(C)OCCOCCCl 7a_100011215305_100000210677 [0,2,0,0,0,0|2,0,0]=4 6440 B11R0.49 CCC(C)(C)OCCOCCF 7a_200015357709_100000210677 [0,2,0,0,0,0|2,0,0]=4 6441 B11R0.49 CCC(C)(C)OCCOCCI 7a_100012149058_100000210677 [0,2,0,0,0,0|2,0,0]=4 6442 B11R0.49 CCC(C)(C)OCCOCCO 7a_100000210230_100011215305 [0,2,0,0,0,0|1,0,0]=3 6443 B11R0.49 CCC(C)(C)SCCOCCO 62a_100000032637_100011215305 [0,2,0,0,0,0|1,1,0]=4 6444 B11R0.49 CCC(C)(C)SCCOCCO 62a_100011215305_100000032637 [0,2,0,0,0,0|1,1,0]=4 6445 B11R0.49 CCCOCCNC(C)(C)CO 2230a_100000210608_100011215938 [0,2,0,0,0,0|2,0,0]=4 6446 B11R0.49 CCCOCCOC(C)(C)CC 7a_100000210230_100011215938 [0,2,0,0,0,0|2,0,0]=4 6447 B11R0.49 CCCOCCOC(C)(C)CC 7a_100000752267_100000210677 [0,2,0,0,0,0|2,0,0]=4 6448 B11R0.49 CCCOCCOC(C)(C)CCl 7a_100000764493_100011215938 [0,2,0,0,0,0|2,0,0]=4 6449 B11R0.49 CCCOCCSC(F)(F)CO 62a_100011215938_100011217949 [0,2,0,0,0,0|1,1,0]=4 6450 B11R0.49 CCCOCCSC(F)(F)CO 62a_100011217949_100011215938 [0,2,0,0,0,0|1,1,0]=4 6451 B11R0.49 OCCCCCSC(F)(F)CO 62a_100000746330_100011217949 [0,2,0,0,0,0|1,1,0]=4 6452 B11R0.49 OCCCCCSC(F)(F)CO 62a_100011217949_100000746330 [0,2,0,0,0,0|1,1,0]=4 6453 B11R0.49 OCCOCCSC(F)(F)CO 62a_100011215305_100011217949 [0,2,0,0,0,0|0,1,0]=3 6454 B11R0.49 OCCOCCSC(F)(F)CO 62a_100011217949_100011215305 [0,2,0,0,0,0|0,1,0]=3 6455 B11R0.70 C#CCOC(C)COC(C)CO 34a_200000093152_100012180447 [0,2,0,0,0,0|1,0,1]=4 6456 B11R0.70 C#CCOC(C)COC(C)CO 7a_200000093152_100012180447 [0,2,0,0,0,0|1,0,1]=4 6457 B11R0.70 CC(CO)NC[C@H](C)CCCO 2230a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 6458 B11R0.70 CC(CO)NC[C@H](C)CCCO 34a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 6459 B11R0.70 CCC(C)CCC(C)OCCO 7a_200011216552_100000211926 [0,2,0,0,0,0|2,0,0]=4 6460 B11R0.70 CCCCC(C)COC(C)CO 34a_100011995851_100012180447 [0,2,0,0,0,0|2,0,0]=4 6461 B11R0.70 CCCCC(C)COC(C)CO 7a_100011995851_100012180447 [0,2,0,0,0,0|2,0,0]=4 6462 B11R0.70 CCCC[C@H](N)COC(C)CO 34a_100011934283_100012180447 [0,2,0,0,0,0|2,0,0]=4 6463 B11R0.70 CCCOC(C)CNC(C)CO 2230a_100015185124_100012180447 [0,2,0,0,0,0|2,0,0]=4 6464 B11R0.70 CCCOC(C)CNC(C)CO 34a_100015185124_100012180447 [0,2,0,0,0,0|2,0,0]=4 6465 B11R0.70 COCO[C@H](C)COC(C)CO 34a_100016172286_100012180447 [0,2,0,0,0,0|2,0,0]=4 6466 B11R0.70 COCO[C@H](C)COC(C)CO 7a_100016172286_100012180447 [0,2,0,0,0,0|2,0,0]=4 6467 B11R0.106 CC(CO)OCCC[C@@H](C)CN 34a_100160569302_100012180447 [0,2,0,0,0,0|2,0,0]=4 6468 B11R0.106 CCC(=O)OCCOC(C)CO 7a_200000031056_100012180447 [0,2,0,0,0,0|1,0,1]=4 6469 B11R0.106 CCC(C)CCCOC(C)CO 7a_100011216074_100012180447 [0,2,0,0,0,0|2,0,0]=4 6470 B11R0.124 C#CC(CC)OCCCCCO 34a_100000758843_100000746330 [0,2,0,0,0,0|2,0,0]=4 6471 B11R0.124 C#CC(CC)OCCCCCO 7a_100000758843_100000746330 [0,2,0,0,0,0|2,0,0]=4 6472 B11R0.124 C#CC(CC)OCCOCCC 34a_100000758843_100011215938 [0,2,0,0,0,0|2,0,0]=4 6473 B11R0.124 C#CC(CC)OCCOCCC 7a_100000758843_100011215938 [0,2,0,0,0,0|2,0,0]=4 6474 B11R0.124 C#CC(CC)OCCOCCO 34a_100000758843_100000692535 [0,2,0,0,0,0|1,0,0]=3 6475 B11R0.124 C#CC(CC)OCCOCCO 7a_100000758843_100011215305 [0,2,0,0,0,0|1,0,0]=3 6476 B11R0.124 C=CC(C=C)OCCOCCO 34a_100000033096_100000692535 [0,2,0,0,0,0|1,0,1]=4 6477 B11R0.124 C=CC(CC)OCCCCCO 34a_100000766422_100000746330 [0,2,0,0,0,0|2,0,0]=4 6478 B11R0.124 C=CC(CC)OCCCCCO 7a_100000766422_100000746330 [0,2,0,0,0,0|2,0,0]=4 6479 B11R0.124 C=CC(CC)OCCOCCC 34a_100000766422_100011215938 [0,2,0,0,0,0|2,0,0]=4 6480 B11R0.124 C=CC(CC)OCCOCCC 7a_100000766422_100011215938 [0,2,0,0,0,0|2,0,0]=4 6481 B11R0.124 C=CC(CC)OCCOCCO 34a_100000766422_100000692535 [0,2,0,0,0,0|1,0,0]=3 6482 B11R0.124 C=CC(CC)OCCOCCO 7a_100000766422_100011215305 [0,2,0,0,0,0|1,0,0]=3 6483 B11R0.124 C=C[C@@H](CO)NCCCCCO 2230a_100016989147_100000746330 [0,2,0,0,0,0|2,0,0]=4 6484 B11R0.124 C=C[C@@H](CO)NCCCCCO 34a_100016989147_100000746330 [0,2,0,0,0,0|2,0,0]=4 6485 B11R0.124 C=C[C@@H](CO)NCCOCCC 2230a_100016989147_100011215938 [0,2,0,0,0,0|2,0,0]=4 6486 B11R0.124 C=C[C@@H](CO)NCCOCCC 34a_100016989147_100011215938 [0,2,0,0,0,0|2,0,0]=4 6487 B11R0.124 C=C[C@@H](CO)NCCOCCO 2230a_100016989147_100011215305 [0,2,0,0,0,0|1,0,0]=3 6488 B11R0.124 C=C[C@@H](CO)NCCOCCO 34a_100016989147_100000692535 [0,2,0,0,0,0|1,0,0]=3 6489 B11R0.124 CCC(CC)NCCOCCO 2230a_100000199018_100011215305 [0,2,0,0,0,0|2,0,0]=4 6490 B11R0.124 CCC(CC)NCCOCCO 270004a_100000211614_100000210860 [0,2,0,0,0,0|2,0,0]=4 6491 B11R0.124 CCC(CC)OCCCCCO 7a_100000688536_100000746330 [0,2,0,0,0,0|2,0,0]=4 6492 B11R0.124 CCC(CC)OCCOCCBr 7a_100000692535_100000210505 [0,2,0,0,0,0|2,0,0]=4 6493 B11R0.124 CCC(CC)OCCOCCCl 7a_100011215305_100000210505 [0,2,0,0,0,0|2,0,0]=4 6494 B11R0.124 CCC(CC)OCCOCCF 7a_200015357709_100000210505 [0,2,0,0,0,0|2,0,0]=4 6495 B11R0.124 CCC(CC)OCCOCCI 7a_100012149058_100000210505 [0,2,0,0,0,0|2,0,0]=4 6496 B11R0.124 CCC(CC)OCCOCCO 7a_100000688536_100011215305 [0,2,0,0,0,0|1,0,0]=3 6497 B11R0.124 CCC(CC)SCCOCCO 62a_100000210505_100011215305 [0,2,0,0,0,0|1,1,0]=4 6498 B11R0.124 CCC(CC)SCCOCCO 62a_100011215305_100000210505 [0,2,0,0,0,0|1,1,0]=4 6499 B11R0.124 CCCOCCNC(CO)CO 2230a_100000759517_100011215938 [0,2,0,0,0,0|2,0,0]=4 6500 B11R0.124 CCCOCCN[C@@H](CC)CO 2230a_100000709445_100011215938 [0,2,0,0,0,0|2,0,0]=4 6501 B11R0.124 CCCOCCOC(CC)CC 7a_100000688536_100011215938 [0,2,0,0,0,0|2,0,0]=4 6502 B11R0.124 CCCOCCOC(CC)CC 7a_100000752267_100000210505 [0,2,0,0,0,0|2,0,0]=4 6503 B11R0.124 CCCOCCOC(CCl)CCl 7a_100000737055_100011215938 [0,2,0,0,0,0|2,0,0]=4 6504 B11R0.124 CCCOCCOC(CF)CF 34a_100000032261_100011215938 [0,2,0,0,0,0|2,0,0]=4 6505 B11R0.124 CCCOCCOC(CF)CF 7a_100000032261_100011215938 [0,2,0,0,0,0|2,0,0]=4 6506 B11R0.124 CCCOCCOC(CN)CN 34a_100000031598_100011215938 [0,2,0,0,0,0|2,0,0]=4 6507 B11R0.124 CCCOCCO[C@@H](CF)CCl 34a_100015614560_100011215938 [0,2,0,0,0,0|2,0,0]=4 6508 B11R0.124 CCCOCCO[C@@H](CF)CCl 7a_100015614560_100011215938 [0,2,0,0,0,0|2,0,0]=4 6509 B11R0.124 CC[C@@H](CO)NCCCCCO 2230a_100000709445_100000746330 [0,2,0,0,0,0|2,0,0]=4 6510 B11R0.124 CC[C@@H](CO)NCCOCCO 2230a_100000709445_100011215305 [0,2,0,0,0,0|1,0,0]=3 6511 B11R0.124 NCC(CN)OCCCCCO 34a_100000031598_100000746330 [0,2,0,0,0,0|2,0,0]=4 6512 B11R0.124 NCC(CN)OCCOCCO 34a_100000031598_100000692535 [0,2,0,0,0,0|1,0,0]=3 6513 B11R0.124 OCCCCCNC(CO)CO 2230a_100000759517_100000746330 [0,2,0,0,0,0|2,0,0]=4 6514 B11R0.124 OCCCCCOC(CCl)CCl 7a_100000737055_100000746330 [0,2,0,0,0,0|2,0,0]=4 6515 B11R0.124 OCCCCCOC(CF)CF 34a_100000032261_100000746330 [0,2,0,0,0,0|2,0,0]=4 6516 B11R0.124 OCCCCCOC(CF)CF 7a_100000032261_100000746330 [0,2,0,0,0,0|2,0,0]=4 6517 B11R0.124 OCCCCCO[C@@H](CF)CCl 34a_100015614560_100000746330 [0,2,0,0,0,0|2,0,0]=4 6518 B11R0.124 OCCCCCO[C@@H](CF)CCl 7a_100015614560_100000746330 [0,2,0,0,0,0|2,0,0]=4 6519 B11R0.124 OCCOCCNC(CO)CO 2230a_100000759517_100011215305 [0,2,0,0,0,0|1,0,0]=3 6520 B11R0.124 OCCOCCOC(CCl)CCl 7a_100000737055_100011215305 [0,2,0,0,0,0|1,0,0]=3 6521 B11R0.124 OCCOCCOC(CF)CF 34a_100000032261_100000692535 [0,2,0,0,0,0|1,0,0]=3 6522 B11R0.124 OCCOCCOC(CF)CF 7a_100000032261_100011215305 [0,2,0,0,0,0|1,0,0]=3 6523 B11R0.124 OCCOCCO[C@@H](CF)CCl 34a_100015614560_100000692535 [0,2,0,0,0,0|1,0,0]=3 6524 B11R0.124 OCCOCCO[C@@H](CF)CCl 7a_100015614560_100011215305 [0,2,0,0,0,0|1,0,0]=3 6525 B11R0.154 C#CCOCC(C)OC(C)CO 34a_100011025554_100012180447 [0,2,0,0,0,0|1,0,1]=4 6526 B11R0.154 C#CCOCC(C)OC(C)CO 7a_100011025554_100012180447 [0,2,0,0,0,0|1,0,1]=4 6527 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,2,0,0,0,0|2,0,0]=4 6528 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,2,0,0,0,0|2,0,0]=4 6529 B11R0.154 C[C@@H](CO)CC(=O)COCCO 1458a_100000708028_100000059175 [0,2,0,0,0,0|1,0,1]=4 6530 B11R0.154 C[C@H](CO)NC(=O)COCCO 240690a_100000737577_100000708028 [0,2,0,0,0,0|1,0,1]=4 6531 B11R0.11 CCCOC(=O)C(C)OCCO 34a_100000037348_100000211926 [0,2,0,0,0,0|1,0,1]=4 6532 B11R0.11 CCCOC(=O)C(C)OCCO 7a_100000037348_100000211926 [0,2,0,0,0,0|1,0,1]=4 6533 B11R0.152 C#CC(CCCCC)OCCO 34a_100011216489_100000211926 [0,2,0,0,0,0|2,0,0]=4 6534 B11R0.152 C#CC(CCCCC)OCCO 7a_100011216489_100000211926 [0,2,0,0,0,0|2,0,0]=4 6535 B11R0.152 C=CC(CCCCC)OCCO 34a_100011216863_100000211926 [0,2,0,0,0,0|2,0,0]=4 6536 B11R0.152 C=CC(CCCCC)OCCO 7a_100011216863_100000211926 [0,2,0,0,0,0|2,0,0]=4 6537 B11R0.152 CCCCC(CC)COCCO 34a_100000210273_100000211926 [0,2,0,0,0,0|2,0,0]=4 6538 B11R0.152 CCCCC(CC)COCCO 7a_100000210273_100000211926 [0,2,0,0,0,0|2,0,0]=4 6539 B11R0.152 CCCCCC(CC)OCCO 34a_100011215405_100000211926 [0,2,0,0,0,0|2,0,0]=4 6540 B11R0.152 CCCCCC(CC)OCCO 7a_100011215405_100000211926 [0,2,0,0,0,0|2,0,0]=4 6541 B11R0.321 CCCCC(C)(C)COCCO 7a_200011995781_100000211926 [0,2,0,0,0,0|2,0,0]=4 6542 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 6543 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 6544 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [1,0,0,1,0,0|2,0,0]=4 6545 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [1,0,0,1,0,0|2,0,0]=4 6546 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [1,0,0,1,0,0|2,0,0]=4 6547 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [1,0,0,1,0,0|2,0,0]=4 6548 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|2,0,0]=4 6549 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|2,0,0]=4 6550 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|2,0,0]=4 6551 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|1,0,0]=3 6552 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [1,0,0,1,0,0|1,0,0]=3 6553 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [1,0,0,1,0,0|1,0,0]=3 6554 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [1,0,0,1,0,0|1,1,0]=4 6555 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [1,0,0,1,0,0|1,1,0]=4 6556 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 6557 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [1,0,0,1,0,0|2,0,0]=4 6558 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [1,0,0,1,0,0|2,0,0]=4 6559 B9R1.8 FCCN1CCOCC1 2230a_100015191051_100011217306 [1,0,0,1,0,0|2,0,0]=4 6560 B9R1.8 FCCN1CCOCC1 269982a_100015191051_100011217306 [1,0,0,1,0,0|2,0,0]=4 6561 B9R1.8 FCCN1CCOCC1 34a_100015191051_100011217306 [1,0,0,1,0,0|2,0,0]=4 6562 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [1,0,0,1,0,0|2,0,0]=4 6563 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [1,0,0,1,0,0|2,0,0]=4 6564 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 6565 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 6566 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [1,0,0,1,0,0|2,0,0]=4 6567 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [1,0,0,1,0,0|1,0,0]=3 6568 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [1,0,0,1,0,0|1,0,0]=3 6569 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [1,0,0,1,0,0|1,0,0]=3 6570 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [1,0,0,1,0,0|1,1,0]=4 6571 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [1,0,0,1,0,0|1,1,0]=4 6572 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 6573 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [1,0,0,1,0,0|2,0,0]=4 6574 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [1,0,0,1,0,0|2,0,0]=4 6575 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [1,0,0,1,0,0|2,0,0]=4 6576 B9R1.12 BrCCOC1CCOC1 34a_100000211926_100000690089 [1,0,0,1,0,0|1,0,0]=3 6577 B9R1.12 C#CCOC1CCCO1 34a_100000085407_100000184674 [1,0,0,1,0,0|1,0,1]=4 6578 B9R1.12 C#CCOC1CCOC1 34a_100000210247_100000690089 [1,0,0,1,0,0|1,0,1]=4 6579 B9R1.12 C#CCO[C@H]1CCOC1 34a_100000717292_100000184674 [1,0,0,1,0,0|1,0,1]=4 6580 B9R1.12 C=CCOC1CCCO1 34a_100000085407_100015514636 [1,0,0,1,0,0|1,0,1]=4 6581 B9R1.12 C=CCOC1CCOC1 34a_200000210373_100000690089 [1,0,0,1,0,0|1,0,1]=4 6582 B9R1.12 C=CCO[C@H]1CCOC1 34a_100000717292_100015514636 [1,0,0,1,0,0|1,0,1]=4 6583 B9R1.12 CCCNC1CCOC1 270004a_100020643023_100000752484 [1,0,0,1,0,0|2,0,0]=4 6584 B9R1.12 CCCN[C@@H]1CCOC1 2230a_200015188469_100000210303 [1,0,0,1,0,0|2,0,0]=4 6585 B9R1.12 CCCN[C@H]1CCOC1 2230a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 6586 B9R1.12 CCCN[C@H]1CCOC1 34a_100015188467_100000210303 [1,0,0,1,0,0|2,0,0]=4 6587 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [1,0,0,1,0,0|2,0,0]=4 6588 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [1,0,0,1,0,0|2,0,0]=4 6589 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [1,0,0,1,0,0|2,0,0]=4 6590 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [1,0,0,1,0,0|1,0,0]=3 6591 B9R1.12 CCCOC1CCOC1 34a_100000210258_100000690089 [1,0,0,1,0,0|1,0,0]=3 6592 B9R1.12 CCCOC1CCSC1 7a_100011232664_100000210303 [1,0,0,1,0,0|1,1,0]=4 6593 B9R1.12 CCCO[C@H]1CCOC1 34a_100000717292_100000210303 [1,0,0,1,0,0|1,0,0]=3 6594 B9R1.12 CCCSC1CCOC1 62a_100000210303_100000690089 [1,0,0,1,0,0|1,1,0]=4 6595 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [1,0,0,1,0,0|2,0,0]=4 6596 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [1,0,0,1,0,0|1,0,0]=3 6597 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [1,0,0,1,0,0|1,0,0]=3 6598 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [1,0,0,1,0,0|1,0,0]=3 6599 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [1,0,0,1,0,0|2,0,0]=4 6600 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [1,0,0,1,0,0|2,0,0]=4 6601 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [1,0,0,1,0,0|2,0,0]=4 6602 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [1,0,0,1,0,0|2,0,0]=4 6603 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [1,0,0,1,0,0|2,0,0]=4 6604 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 6605 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [1,0,0,1,0,0|1,0,0]=3 6606 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [1,0,0,1,0,0|2,0,0]=4 6607 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [1,0,0,1,0,0|0,0,0]=2 6608 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [1,0,0,1,0,0|0,0,0]=2 6609 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 6610 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [1,0,0,1,0,0|1,1,0]=4 6611 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [1,0,0,1,0,0|1,1,0]=4 6612 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [1,0,0,1,0,0|0,1,0]=3 6613 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [1,0,0,1,0,0|0,1,0]=3 6614 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 6615 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 6616 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [1,0,0,1,0,0|2,0,0]=4 6617 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [1,0,0,1,0,0|2,0,0]=4 6618 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [1,0,0,1,0,0|2,0,0]=4 6619 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [1,0,0,1,0,0|2,0,0]=4 6620 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [1,0,0,1,0,0|2,0,0]=4 6621 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [1,0,0,1,0,0|2,0,0]=4 6622 B9R1.12 CSCO[C@H]1CCOC1 34a_100000717292_100011218213 [1,0,0,1,0,0|2,0,0]=4 6623 B9R1.12 FCCNC1CCOC1 34a_100000724931_100000690089 [1,0,0,1,0,0|2,0,0]=4 6624 B9R1.12 FCCN[C@@H]1CCOC1 2230a_200015188469_100011217306 [1,0,0,1,0,0|2,0,0]=4 6625 B9R1.12 FCCN[C@H]1CCOC1 2230a_100015188467_100011217306 [1,0,0,1,0,0|2,0,0]=4 6626 B9R1.12 FCCN[C@H]1CCOC1 34a_100015188467_100011217306 [1,0,0,1,0,0|2,0,0]=4 6627 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 6628 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [1,0,0,1,0,0|2,0,0]=4 6629 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [1,0,0,1,0,0|1,0,0]=3 6630 B9R1.12 FCCOC1CCSC1 7a_100011232664_100011217306 [1,0,0,1,0,0|1,1,0]=4 6631 B9R1.12 FCCO[C@H]1CCOC1 34a_100000717292_100011217306 [1,0,0,1,0,0|1,0,0]=3 6632 B9R1.12 FCCSC1CCOC1 62a_100011217306_100000690089 [1,0,0,1,0,0|1,1,0]=4 6633 B9R1.12 FCNCC1OCCO1 34a_100000036311_100015361967 [1,0,0,1,0,0|2,0,0]=4 6634 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 6635 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [1,0,0,1,0,0|2,0,0]=4 6636 B9R1.12 FCOCC1OCCO1 34a_100000087154_100015361967 [1,0,0,1,0,0|1,0,0]=3 6637 B9R1.12 FCSCC1OCCO1 62a_100000755774_100015361967 [1,0,0,1,0,0|1,1,0]=4 6638 B9R1.12 FCSCC1OCCO1 62a_100015361967_100000755774 [1,0,0,1,0,0|1,1,0]=4 6639 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [1,0,0,1,0,0|2,0,0]=4 6640 B9R1.12 NCCOC1CCOC1 34a_100000210304_100000690089 [1,0,0,1,0,0|1,0,0]=3 6641 B9R1.12 O=CCOC1CCCO1 34a_100000085407_200009817547 [1,0,0,1,0,0|0,0,2]=4 6642 B9R1.12 O=CCO[C@H]1CCOC1 34a_100000717292_200009817547 [1,0,0,1,0,0|0,0,2]=4 6643 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [1,0,0,1,0,0|2,0,0]=4 6644 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [1,0,0,1,0,0|2,0,0]=4 6645 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [1,0,0,1,0,0|2,0,0]=4 6646 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [1,0,0,1,0,0|2,0,0]=4 6647 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [1,0,0,1,0,0|2,0,0]=4 6648 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [1,0,0,1,0,0|1,0,0]=3 6649 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [1,0,0,1,0,0|1,0,0]=3 6650 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [1,0,0,1,0,0|1,0,0]=3 6651 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [1,0,0,1,0,0|1,1,0]=4 6652 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [1,0,0,1,0,0|1,0,0]=3 6653 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [1,0,0,1,0,0|1,0,0]=3 6654 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [1,0,0,1,0,0|1,0,0]=3 6655 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 6656 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [1,0,0,1,0,0|1,0,0]=3 6657 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [1,0,0,1,0,0|0,0,0]=2 6658 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [1,0,0,1,0,0|0,1,0]=3 6659 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [1,0,0,1,0,0|0,0,0]=2 6660 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [1,0,0,1,0,0|1,1,0]=4 6661 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [1,0,0,1,0,0|1,1,0]=4 6662 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [1,0,0,1,0,0|0,1,0]=3 6663 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 6664 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [1,0,0,1,0,0|2,0,0]=4 6665 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [1,0,0,1,0,0|2,0,0]=4 6666 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 6667 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|2,0,0]=4 6668 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|2,0,0]=4 6669 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [1,0,0,1,0,0|2,0,0]=4 6670 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [1,0,0,1,0,0|2,0,0]=4 6671 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [1,0,0,1,0,0|2,0,0]=4 6672 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,0,0,1,0,0|2,0,0]=4 6673 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,0,0,1,0,0|2,0,0]=4 6674 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 6675 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [1,0,0,1,0,0|2,0,0]=4 6676 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 6677 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [1,0,0,1,0,0|1,0,0]=3 6678 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 6679 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 6680 B9R1.17 BrCCOCC1CCC1 34a_100000211926_100000763275 [1,0,0,1,0,0|2,0,0]=4 6681 B9R1.17 BrCCOCC1CCO1 34a_100000211926_100000103362 [1,0,0,1,0,0|1,0,0]=3 6682 B9R1.17 C#CCOCC1CCO1 34a_100000039022_100000184674 [1,0,0,1,0,0|1,0,1]=4 6683 B9R1.17 C#CCOCC1CCO1 34a_100000210247_100000103362 [1,0,0,1,0,0|1,0,1]=4 6684 B9R1.17 C=CCOCC1CCO1 34a_100000039022_100015514636 [1,0,0,1,0,0|1,0,1]=4 6685 B9R1.17 C=CCOCC1CCO1 34a_200000210373_100000103362 [1,0,0,1,0,0|1,0,1]=4 6686 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|2,0,0]=4 6687 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|2,0,0]=4 6688 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|2,0,0]=4 6689 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|2,0,0]=4 6690 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,0]=3 6691 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,0]=3 6692 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,1,0]=4 6693 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,1,0]=4 6694 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [1,0,0,1,0,0|2,0,0]=4 6695 B9R1.17 CSCOCC1CCO1 34a_100000039022_100011218213 [1,0,0,1,0,0|2,0,0]=4 6696 B9R1.17 FCCNCC1CCO1 34a_100000724931_100000103362 [1,0,0,1,0,0|2,0,0]=4 6697 B9R1.17 FCCNC[C@@H]1CCO1 2230a_100020831831_100011217306 [1,0,0,1,0,0|2,0,0]=4 6698 B9R1.17 FCCNC[C@@H]1CCO1 34a_100020831831_100011217306 [1,0,0,1,0,0|2,0,0]=4 6699 B9R1.17 FCCOCC1CCC1 34a_100000760304_100011217306 [1,0,0,1,0,0|2,0,0]=4 6700 B9R1.17 FCCOCC1CCO1 34a_100000039022_100011217306 [1,0,0,1,0,0|1,0,0]=3 6701 B9R1.17 FCCSCC1CCO1 62a_100000103362_100011217306 [1,0,0,1,0,0|1,1,0]=4 6702 B9R1.17 FCCSCC1CCO1 62a_100011217306_100000103362 [1,0,0,1,0,0|1,1,0]=4 6703 B9R1.17 NCCOCC1CCC1 34a_100000210304_100000763275 [1,0,0,1,0,0|2,0,0]=4 6704 B9R1.17 NCCOCC1CCO1 34a_100000210304_100000103362 [1,0,0,1,0,0|1,0,0]=3 6705 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [1,0,0,1,0,0|0,0,2]=4 6706 B9R1.17 OCCCCN1CCC1 269982a_100000754969_100000210776 [1,0,0,1,0,0|2,0,0]=4 6707 B9R1.17 OCCNCC1CCC1 2230a_100000738700_100000211926 [1,0,0,1,0,0|2,0,0]=4 6708 B9R1.17 OCCNCC1CCC1 2230a_100016997473_100000763275 [1,0,0,1,0,0|2,0,0]=4 6709 B9R1.17 OCCNCC1CCC1 269862a_100000210304_100000753134 [1,0,0,1,0,0|2,0,0]=4 6710 B9R1.17 OCCNCC1CCC1 34a_100000738700_100000211926 [1,0,0,1,0,0|2,0,0]=4 6711 B9R1.17 OCCNCC1CCC1 34a_100016990907_100000763275 [1,0,0,1,0,0|2,0,0]=4 6712 B9R1.17 OCCNCC1CCO1 2230a_100016997473_100000103362 [1,0,0,1,0,0|1,0,0]=3 6713 B9R1.17 OCCNCC1CCO1 34a_100016990907_100000103362 [1,0,0,1,0,0|1,0,0]=3 6714 B9R1.17 OCCNC[C@@H]1CCO1 2230a_100020831831_100000211926 [1,0,0,1,0,0|1,0,0]=3 6715 B9R1.17 OCCNC[C@@H]1CCO1 34a_100020831831_100000211926 [1,0,0,1,0,0|1,0,0]=3 6716 B9R1.17 OCCOCC1CCC1 34a_100000760304_100000211926 [1,0,0,1,0,0|1,0,0]=3 6717 B9R1.17 OCCOCC1CCO1 34a_100000039022_100000211926 [1,0,0,1,0,0|0,0,0]=2 6718 B9R1.17 OCCOCC1CNC1 34a_100016987283_100000211926 [1,0,0,1,0,0|2,0,0]=4 6719 B9R1.17 OCCOCC1COC1 34a_100000060846_100000211926 [1,0,0,1,0,0|2,0,0]=4 6720 B9R1.17 OCCSCC1CCC1 62a_100000211926_100000763275 [1,0,0,1,0,0|1,1,0]=4 6721 B9R1.17 OCCSCC1CCC1 62a_100000763275_100000211926 [1,0,0,1,0,0|1,1,0]=4 6722 B9R1.17 OCCSCC1CCO1 62a_100000103362_100000211926 [1,0,0,1,0,0|0,1,0]=3 6723 B9R1.17 OCCSCC1CCO1 62a_100000211926_100000103362 [1,0,0,1,0,0|0,1,0]=3 6724 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [1,0,0,1,0,0|1,1,0]=4 6725 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [1,0,0,1,0,0|1,1,0]=4 6726 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [1,0,0,1,0,0|1,1,0]=4 6727 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [1,0,0,1,0,0|1,0,0]=3 6728 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [1,0,0,1,0,0|2,0,0]=4 6729 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [1,0,0,1,0,0|2,0,0]=4 6730 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [1,0,0,1,0,0|0,0,0]=2 6731 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [1,0,0,1,0,0|2,0,0]=4 6732 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [1,0,0,1,0,0|2,0,0]=4 6733 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [1,0,0,1,0,0|2,0,0]=4 6734 B9R1.33 CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210202 [1,0,0,1,0,0|1,0,0]=3 6735 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [1,0,0,1,0,0|0,1,0]=3 6736 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [1,0,0,1,0,0|0,1,0]=3 6737 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [1,0,0,1,0,0|1,1,0]=4 6738 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [1,0,0,1,0,0|1,1,0]=4 6739 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [1,0,0,1,0,0|2,0,0]=4 6740 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [1,0,0,1,0,0|2,0,0]=4 6741 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [1,0,0,1,0,0|2,0,0]=4 6742 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [1,0,0,1,0,0|2,0,0]=4 6743 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [1,0,0,1,0,0|2,0,0]=4 6744 B9R1.33 N[C@H]1COC[C@@H]1OCF 34a_100015191717_100015361967 [1,0,0,1,0,0|2,0,0]=4 6745 B9R1.33 OC1COCC1SCF 62a_100015361967_200000725654 [1,0,0,1,0,0|1,1,0]=4 6746 B9R1.33 OC1COCC1SCF 62a_200000725654_100015361967 [1,0,0,1,0,0|1,1,0]=4 6747 B9R1.83 BrCCCCOC1CC1 34a_100011216708_100000211595 [1,0,0,1,0,0|2,0,0]=4 6748 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [1,0,0,1,0,0|2,0,0]=4 6749 B9R1.83 BrCCOCCC1CO1 34a_100000211926_100000732470 [1,0,0,1,0,0|1,0,0]=3 6750 B9R1.83 C#CCOCCC1CO1 34a_100000210247_100000732470 [1,0,0,1,0,0|1,0,1]=4 6751 B9R1.83 C#CCOCC[C@@H]1CO1 34a_100009820653_100000184674 [1,0,0,1,0,0|1,0,1]=4 6752 B9R1.83 C=CCOCCC1CO1 34a_200000210373_100000732470 [1,0,0,1,0,0|1,0,1]=4 6753 B9R1.83 C=CCOCC[C@@H]1CO1 34a_100009820653_100015514636 [1,0,0,1,0,0|1,0,1]=4 6754 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|2,0,0]=4 6755 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|2,0,0]=4 6756 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|2,0,0]=4 6757 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|2,0,0]=4 6758 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [1,0,0,1,0,0|1,0,0]=3 6759 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [1,0,0,1,0,0|1,0,0]=3 6760 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [1,0,0,1,0,0|1,1,0]=4 6761 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [1,0,0,1,0,0|1,1,0]=4 6762 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [1,0,0,1,0,0|2,0,0]=4 6763 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,0]=3 6764 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [1,0,0,1,0,0|2,0,0]=4 6765 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [1,0,0,1,0,0|2,0,0]=4 6766 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [1,0,0,1,0,0|2,0,0]=4 6767 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [1,0,0,1,0,0|1,0,0]=3 6768 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [1,0,0,1,0,0|1,1,0]=4 6769 B9R1.83 CCOCSCC1CO1 62a_100000739092_102125554688 [1,0,0,1,0,0|2,0,0]=4 6770 B9R1.83 CCOCSCC1CO1 62a_102125554688_100000739092 [1,0,0,1,0,0|2,0,0]=4 6771 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000739092_100000745022 [1,0,0,1,0,0|2,0,0]=4 6772 B9R1.83 CCOCSC[C@@H]1CO1 62a_100000745022_100000739092 [1,0,0,1,0,0|2,0,0]=4 6773 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [1,0,0,1,0,0|1,1,0]=4 6774 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [1,0,0,1,0,0|1,1,0]=4 6775 B9R1.83 CCSCCOC1CC1 34a_100000212035_100000211595 [1,0,0,1,0,0|1,1,0]=4 6776 B9R1.83 CSCOCC[C@@H]1CO1 34a_100009820653_100011218213 [1,0,0,1,0,0|2,0,0]=4 6777 B9R1.83 ClCCCCOC1CC1 34a_100000210776_100000211595 [1,0,0,1,0,0|2,0,0]=4 6778 B9R1.83 FCCCCOC1CC1 34a_100011995726_100000211595 [1,0,0,1,0,0|2,0,0]=4 6779 B9R1.83 FCCNCCC1CO1 34a_100000724931_100000732470 [1,0,0,1,0,0|2,0,0]=4 6780 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 6781 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [1,0,0,1,0,0|2,0,0]=4 6782 B9R1.83 FCCOCC[C@@H]1CO1 34a_100009820653_100011217306 [1,0,0,1,0,0|1,0,0]=3 6783 B9R1.83 FCCSCCC1CO1 62a_100000732470_100011217306 [1,0,0,1,0,0|1,1,0]=4 6784 B9R1.83 FCCSCCC1CO1 62a_100011217306_100000732470 [1,0,0,1,0,0|1,1,0]=4 6785 B9R1.83 ICCCCOC1CC1 34a_200012148704_100000211595 [1,0,0,1,0,0|2,0,0]=4 6786 B9R1.83 NCCCCOC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|2,0,0]=4 6787 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [1,0,0,1,0,0|2,0,0]=4 6788 B9R1.83 NCCOCCC1CO1 34a_100000210304_100000732470 [1,0,0,1,0,0|1,0,0]=3 6789 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [1,0,0,1,0,0|0,0,2]=4 6790 B9R1.83 OCCCCNC1CC1 34a_100000212008_100011216708 [1,0,0,1,0,0|2,0,0]=4 6791 B9R1.83 OCCCCNC1CC1 34a_100000750430_100000211595 [1,0,0,1,0,0|2,0,0]=4 6792 B9R1.83 OCCCCSC1CC1 62a_100000210776_100000211595 [1,0,0,1,0,0|1,1,0]=4 6793 B9R1.83 OCCCOC[C@@H]1CO1 34a_100000757423_100000230001 [1,0,0,1,0,0|2,0,0]=4 6794 B9R1.83 OCCCSCC1CO1 62a_100011215043_102125554688 [1,0,0,1,0,0|2,0,0]=4 6795 B9R1.83 OCCCSCC1CO1 62a_102125554688_100011215043 [1,0,0,1,0,0|2,0,0]=4 6796 B9R1.83 OCCCSC[C@@H]1CO1 62a_100000745022_100011215043 [1,0,0,1,0,0|2,0,0]=4 6797 B9R1.83 OCCCSC[C@@H]1CO1 62a_100011215043_100000745022 [1,0,0,1,0,0|2,0,0]=4 6798 B9R1.83 OCCNCCC1CC1 2230a_100016997473_100000694398 [1,0,0,1,0,0|2,0,0]=4 6799 B9R1.83 OCCNCCC1CC1 34a_100000764129_100000211926 [1,0,0,1,0,0|2,0,0]=4 6800 B9R1.83 OCCNCCC1CC1 34a_100016990907_100000694398 [1,0,0,1,0,0|2,0,0]=4 6801 B9R1.83 OCCNCCC1CO1 2230a_100016997473_100000732470 [1,0,0,1,0,0|1,0,0]=3 6802 B9R1.83 OCCNCCC1CO1 34a_100016990907_100000732470 [1,0,0,1,0,0|1,0,0]=3 6803 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 6804 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [1,0,0,1,0,0|1,0,0]=3 6805 B9R1.83 OCCOCC[C@@H]1CO1 34a_100009820653_100000211926 [1,0,0,1,0,0|0,0,0]=2 6806 B9R1.83 OCCSCCC1CC1 62a_100000211926_100000764125 [1,0,0,1,0,0|1,1,0]=4 6807 B9R1.83 OCCSCCC1CC1 62a_100000764125_100000211926 [1,0,0,1,0,0|1,1,0]=4 6808 B9R1.83 OCCSCCC1CO1 62a_100000211926_100000732470 [1,0,0,1,0,0|0,1,0]=3 6809 B9R1.83 OCCSCCC1CO1 62a_100000732470_100000211926 [1,0,0,1,0,0|0,1,0]=3 6810 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [1,0,0,1,0,0|2,0,0]=4 6811 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [1,0,0,1,0,0|2,0,0]=4 6812 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [1,0,0,1,0,0|2,0,0]=4 6813 B11R1.4 BrCCCOCC1OCCO1 34a_100011217188_100000755774 [0,1,0,1,0,0|1,0,0]=3 6814 B11R1.4 BrCCOCCC1OCCO1 34a_100000211926_100000740749 [0,1,0,1,0,0|1,0,0]=3 6815 B11R1.4 C#CCCNCC1OCCO1 2230a_100000036311_100000688953 [0,1,0,1,0,0|2,0,0]=4 6816 B11R1.4 C#CCCNCC1OCCO1 34a_100000036311_100000688953 [0,1,0,1,0,0|2,0,0]=4 6817 B11R1.4 C#CCCNCC1OCCO1 34a_100000755551_100000755774 [0,1,0,1,0,0|2,0,0]=4 6818 B11R1.4 C#CCCOCC1CCCO1 34a_100000210270_100000688953 [0,1,0,1,0,0|2,0,0]=4 6819 B11R1.4 C#CCCOCC1CCCO1 7a_100000210270_100000688953 [0,1,0,1,0,0|2,0,0]=4 6820 B11R1.4 C#CCCOCC1OCCO1 34a_100000087154_100000688953 [0,1,0,1,0,0|1,0,0]=3 6821 B11R1.4 C#CCCOCC1OCCO1 34a_100011215631_100000755774 [0,1,0,1,0,0|1,0,0]=3 6822 B11R1.4 C#CCCSCC1OCCO1 62a_100000688953_100000755774 [0,1,0,1,0,0|1,1,0]=4 6823 B11R1.4 C#CCCSCC1OCCO1 62a_100000755774_100000688953 [0,1,0,1,0,0|1,1,0]=4 6824 B11R1.4 C#CCOCCC1OCCO1 34a_100000210247_100000740749 [0,1,0,1,0,0|1,0,1]=4 6825 B11R1.4 C/C=C/COCC1OCCO1 34a_100000087154_100102629194 [0,1,0,1,0,0|1,0,1]=4 6826 B11R1.4 C/C=C/COCC1OCCO1 34a_100016270725_100000755774 [0,1,0,1,0,0|1,0,1]=4 6827 B11R1.4 C=CCCNCC1OCCO1 2230a_100000036311_100000754431 [0,1,0,1,0,0|2,0,0]=4 6828 B11R1.4 C=CCCNCC1OCCO1 2230a_100015191253_100000755774 [0,1,0,1,0,0|2,0,0]=4 6829 B11R1.4 C=CCCNCC1OCCO1 34a_100000036311_100000754431 [0,1,0,1,0,0|2,0,0]=4 6830 B11R1.4 C=CCCOCC1CCCO1 34a_100000210270_100000754431 [0,1,0,1,0,0|2,0,0]=4 6831 B11R1.4 C=CCCOCC1CCCO1 7a_100000210270_100000754431 [0,1,0,1,0,0|2,0,0]=4 6832 B11R1.4 C=CCCOCC1OCCO1 34a_100000087154_100000754431 [0,1,0,1,0,0|1,0,0]=3 6833 B11R1.4 C=CCCOCC1OCCO1 34a_100011205117_100000755774 [0,1,0,1,0,0|1,0,0]=3 6834 B11R1.4 C=CCCSCC1OCCO1 62a_100000754431_100000755774 [0,1,0,1,0,0|1,1,0]=4 6835 B11R1.4 C=CCCSCC1OCCO1 62a_100000755774_100000754431 [0,1,0,1,0,0|1,1,0]=4 6836 B11R1.4 C=CCOCCC1OCCO1 34a_200000210373_100000740749 [0,1,0,1,0,0|1,0,1]=4 6837 B11R1.4 CC#CCOCC1OCCO1 34a_100000087154_100000748600 [0,1,0,1,0,0|1,0,1]=4 6838 B11R1.4 CC#CCOCC1OCCO1 34a_100000761923_100000755774 [0,1,0,1,0,0|1,0,1]=4 6839 B11R1.4 CC=CCOCC1OCCO1 34a_100000087154_100000070051 [0,1,0,1,0,0|1,0,1]=4 6840 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [0,1,0,1,0,0|2,0,0]=4 6841 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [0,1,0,1,0,0|2,0,0]=4 6842 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [0,1,0,1,0,0|2,0,0]=4 6843 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [0,1,0,1,0,0|2,0,0]=4 6844 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,1,0,1,0,0|2,0,0]=4 6845 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,1,0,1,0,0|2,0,0]=4 6846 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,1,0,1,0,0|2,0,0]=4 6847 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [0,1,0,1,0,0|1,0,0]=3 6848 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [0,1,0,1,0,0|1,0,0]=3 6849 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [0,1,0,1,0,0|1,0,0]=3 6850 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [0,1,0,1,0,0|1,1,0]=4 6851 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [0,1,0,1,0,0|1,1,0]=4 6852 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [0,1,0,1,0,0|2,0,0]=4 6853 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [0,1,0,1,0,0|2,0,0]=4 6854 B11R1.4 CCCOCCC1CCOC1 34a_100011879284_100000210303 [0,1,0,1,0,0|2,0,0]=4 6855 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [0,1,0,1,0,0|1,0,0]=3 6856 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [0,1,0,1,0,0|1,1,0]=4 6857 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [0,1,0,1,0,0|2,0,0]=4 6858 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [0,1,0,1,0,0|2,0,0]=4 6859 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [0,1,0,1,0,0|2,0,0]=4 6860 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [0,1,0,1,0,0|2,0,0]=4 6861 B11R1.4 CCOCSCC1OCCO1 62a_100000739092_100000755774 [0,1,0,1,0,0|1,1,0]=4 6862 B11R1.4 CCOCSCC1OCCO1 62a_100000755774_100000739092 [0,1,0,1,0,0|1,1,0]=4 6863 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [0,1,0,1,0,0|2,0,0]=4 6864 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [0,1,0,1,0,0|2,0,0]=4 6865 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [0,1,0,1,0,0|2,0,0]=4 6866 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [0,1,0,1,0,0|2,0,0]=4 6867 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [0,1,0,1,0,0|1,0,0]=3 6868 B11R1.4 COCCNCC1CCCO1 2230a_100000209980_100000203698 [0,1,0,1,0,0|2,0,0]=4 6869 B11R1.4 COCCNCC1OCCO1 2230a_100000036311_100011201679 [0,1,0,1,0,0|1,0,0]=3 6870 B11R1.4 COCCNCC1OCCO1 2230a_100000209980_100000755774 [0,1,0,1,0,0|1,0,0]=3 6871 B11R1.4 COCCNCC1OCCO1 34a_100000036311_100011201679 [0,1,0,1,0,0|1,0,0]=3 6872 B11R1.4 COCCNC[C@@H]1CCCO1 2230a_100020590478_100011201679 [0,1,0,1,0,0|2,0,0]=4 6873 B11R1.4 COCCNC[C@@H]1CCCO1 34a_100020590478_100011201679 [0,1,0,1,0,0|2,0,0]=4 6874 B11R1.4 COCCOCC1CCCC1 34a_100000210237_100000740388 [0,1,0,1,0,0|2,0,0]=4 6875 B11R1.4 COCCOCC1CCCC1 34a_100000742336_100011201679 [0,1,0,1,0,0|2,0,0]=4 6876 B11R1.4 COCCOCC1CCCC1 7a_100000742336_100000233755 [0,1,0,1,0,0|2,0,0]=4 6877 B11R1.4 COCCOCC1CCCO1 34a_100000210270_100011201679 [0,1,0,1,0,0|1,0,0]=3 6878 B11R1.4 COCCOCC1CCCO1 7a_100000210270_100000233755 [0,1,0,1,0,0|1,0,0]=3 6879 B11R1.4 COCCOCC1COCO1 34a_100011216627_100011201679 [0,1,0,1,0,0|2,0,0]=4 6880 B11R1.4 COCCOCC1OCCO1 34a_100000087154_100011201679 [0,1,0,1,0,0|0,0,0]=2 6881 B11R1.4 COCCOCC1OCCO1 34a_100000210237_100000755774 [0,1,0,1,0,0|0,0,0]=2 6882 B11R1.4 COCCOC[C@H]1CCCN1 34a_100000745186_100011201679 [0,1,0,1,0,0|2,0,0]=4 6883 B11R1.4 COCCSCC1CCCO1 62a_100000203698_100000233755 [0,1,0,1,0,0|1,1,0]=4 6884 B11R1.4 COCCSCC1CCCO1 62a_100000233755_100000203698 [0,1,0,1,0,0|1,1,0]=4 6885 B11R1.4 COCCSCC1OCCO1 62a_100000233755_100000755774 [0,1,0,1,0,0|0,1,0]=3 6886 B11R1.4 COCCSCC1OCCO1 62a_100000755774_100000233755 [0,1,0,1,0,0|0,1,0]=3 6887 B11R1.4 COCNCCC1OCCO1 2230a_100000034215_100000766300 [0,1,0,1,0,0|2,0,0]=4 6888 B11R1.4 COCSCCC1OCCO1 62a_100000766300_100000740749 [0,1,0,1,0,0|2,0,0]=4 6889 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [0,1,0,1,0,0|1,1,0]=4 6890 B11R1.4 CSCCNCC1OCCO1 2230a_100000036311_100000751147 [0,1,0,1,0,0|1,1,0]=4 6891 B11R1.4 CSCCNCC1OCCO1 2230a_100020590264_100000755774 [0,1,0,1,0,0|1,1,0]=4 6892 B11R1.4 CSCCNCC1OCCO1 34a_100000036311_100000212216 [0,1,0,1,0,0|1,1,0]=4 6893 B11R1.4 CSCCOCC1CCCO1 34a_100000210270_100000212216 [0,1,0,1,0,0|1,1,0]=4 6894 B11R1.4 CSCCOCC1CCCO1 7a_100000210270_100000212216 [0,1,0,1,0,0|1,1,0]=4 6895 B11R1.4 CSCCOCC1CCCO1 7a_100000230434_100000203698 [0,1,0,1,0,0|1,1,0]=4 6896 B11R1.4 CSCCOCC1OCCO1 34a_100000087154_100000212216 [0,1,0,1,0,0|0,1,0]=3 6897 B11R1.4 CSCCOCC1OCCO1 34a_100000230434_100000755774 [0,1,0,1,0,0|0,1,0]=3 6898 B11R1.4 CSCCOCC1OCCO1 7a_100000230434_100000755774 [0,1,0,1,0,0|0,1,0]=3 6899 B11R1.4 CSCCSCC1OCCO1 62a_100000212216_100000755774 [0,1,0,1,0,0|0,2,0]=4 6900 B11R1.4 CSCCSCC1OCCO1 62a_100000755774_100000751147 [0,1,0,1,0,0|0,2,0]=4 6901 B11R1.4 ClCCCOCC1OCCO1 34a_100000230001_100000755774 [0,1,0,1,0,0|1,0,0]=3 6902 B11R1.4 FCCCNCC1OCCO1 2230a_100000036311_100011934791 [0,1,0,1,0,0|2,0,0]=4 6903 B11R1.4 FCCCNCC1OCCO1 2230a_100015189416_100000755774 [0,1,0,1,0,0|2,0,0]=4 6904 B11R1.4 FCCCNCC1OCCO1 34a_100000036311_100011934791 [0,1,0,1,0,0|2,0,0]=4 6905 B11R1.4 FCCCNCC1OCCO1 34a_100015189416_100000755774 [0,1,0,1,0,0|2,0,0]=4 6906 B11R1.4 FCCCOCC1CCCO1 34a_100000210270_100011934791 [0,1,0,1,0,0|2,0,0]=4 6907 B11R1.4 FCCCOCC1CCCO1 7a_100000210270_100011934791 [0,1,0,1,0,0|2,0,0]=4 6908 B11R1.4 FCCCOCC1OCCO1 34a_100000087154_100011934791 [0,1,0,1,0,0|1,0,0]=3 6909 B11R1.4 FCCCOCC1OCCO1 34a_100000759539_100000755774 [0,1,0,1,0,0|1,0,0]=3 6910 B11R1.4 FCCCSCC1OCCO1 62a_100000755774_100011934791 [0,1,0,1,0,0|1,1,0]=4 6911 B11R1.4 FCCCSCC1OCCO1 62a_100011934791_100000755774 [0,1,0,1,0,0|1,1,0]=4 6912 B11R1.4 FCCNCCC1OCCO1 2230a_100000034215_100011217306 [0,1,0,1,0,0|2,0,0]=4 6913 B11R1.4 FCCNCCC1OCCO1 34a_100000034215_100011217306 [0,1,0,1,0,0|2,0,0]=4 6914 B11R1.4 FCCNCCC1OCCO1 34a_100000724931_100000740749 [0,1,0,1,0,0|2,0,0]=4 6915 B11R1.4 FCCOCCC1CCOC1 34a_100011879284_100011217306 [0,1,0,1,0,0|2,0,0]=4 6916 B11R1.4 FCCSCCC1OCCO1 62a_100011217306_100000740749 [0,1,0,1,0,0|1,1,0]=4 6917 B11R1.4 FCOCCCC1OCCO1 34a_100009871617_100015361967 [0,1,0,1,0,0|2,0,0]=4 6918 B11R1.4 FCOCCCC1OCCO1 7a_100009871617_100015361967 [0,1,0,1,0,0|2,0,0]=4 6919 B11R1.4 FCSCCCC1OCCO1 62a_100015361967_100000042513 [0,1,0,1,0,0|2,0,0]=4 6920 B11R1.4 N#CCCNCC1OCCO1 2230a_100000036311_100011215226 [0,1,0,1,0,0|2,0,0]=4 6921 B11R1.4 N#CCCOCC1CCCO1 7a_100000210270_100000184422 [0,1,0,1,0,0|2,0,0]=4 6922 B11R1.4 N#CCCSCC1OCCO1 62a_100000755774_100011215226 [0,1,0,1,0,0|1,1,0]=4 6923 B11R1.4 N#CCCSCC1OCCO1 62a_100011215226_100000755774 [0,1,0,1,0,0|1,1,0]=4 6924 B11R1.4 NCCCOCC1OCCO1 34a_100000182051_100000755774 [0,1,0,1,0,0|1,0,0]=3 6925 B11R1.4 NCCOCCC1OCCO1 34a_100000210304_100000740749 [0,1,0,1,0,0|1,0,0]=3 6926 B11R1.4 NOCCOCC1CCCC1 34a_100000700252_100000740388 [0,1,0,1,0,0|2,0,0]=4 6927 B11R1.4 NOCCOCC1OCCO1 34a_100000700252_100000755774 [0,1,0,1,0,0|0,0,0]=2 6928 B11R1.4 OCCCCOC1CCCO1 34a_100000085407_100011216708 [0,1,0,1,0,0|2,0,0]=4 6929 B11R1.4 OCCCNCC1OCCO1 2230a_100000036311_100000230001 [0,1,0,1,0,0|1,0,0]=3 6930 B11R1.4 OCCCNCC1OCCO1 34a_100000036311_100000230001 [0,1,0,1,0,0|1,0,0]=3 6931 B11R1.4 OCCCNC[C@@H]1CCCO1 2230a_100020590478_100000230001 [0,1,0,1,0,0|2,0,0]=4 6932 B11R1.4 OCCCNC[C@@H]1CCCO1 34a_100020590478_100000230001 [0,1,0,1,0,0|2,0,0]=4 6933 B11R1.4 OCCCOCC1CCCC1 34a_100000742336_100000230001 [0,1,0,1,0,0|2,0,0]=4 6934 B11R1.4 OCCCOCC1CCCC1 7a_100000742336_100011215043 [0,1,0,1,0,0|2,0,0]=4 6935 B11R1.4 OCCCOCC1CCCO1 34a_100000210270_100000230001 [0,1,0,1,0,0|1,0,0]=3 6936 B11R1.4 OCCCOCC1CCCO1 7a_100000210270_100011215043 [0,1,0,1,0,0|1,0,0]=3 6937 B11R1.4 OCCCOCC1COCO1 34a_100011216627_100000230001 [0,1,0,1,0,0|2,0,0]=4 6938 B11R1.4 OCCCOCC1OCCO1 34a_100000087154_100000230001 [0,1,0,1,0,0|0,0,0]=2 6939 B11R1.4 OCCCOC[C@H]1CCCN1 34a_100000745186_100000230001 [0,1,0,1,0,0|2,0,0]=4 6940 B11R1.4 OCCCSCC1CCCO1 62a_100000203698_100011215043 [0,1,0,1,0,0|1,1,0]=4 6941 B11R1.4 OCCCSCC1CCCO1 62a_100011215043_100000203698 [0,1,0,1,0,0|1,1,0]=4 6942 B11R1.4 OCCCSCC1OCCO1 62a_100000755774_100011215043 [0,1,0,1,0,0|0,1,0]=3 6943 B11R1.4 OCCCSCC1OCCO1 62a_100011215043_100000755774 [0,1,0,1,0,0|0,1,0]=3 6944 B11R1.4 OCCNCCC1OCCO1 2230a_100000034215_100000211926 [0,1,0,1,0,0|1,0,0]=3 6945 B11R1.4 OCCNCCC1OCCO1 2230a_100016997473_100000740749 [0,1,0,1,0,0|1,0,0]=3 6946 B11R1.4 OCCNCCC1OCCO1 34a_100000034215_100000211926 [0,1,0,1,0,0|1,0,0]=3 6947 B11R1.4 OCCNCCC1OCCO1 34a_100016990907_100000740749 [0,1,0,1,0,0|1,0,0]=3 6948 B11R1.4 OCCOCCC1CCCC1 34a_100000749090_100000211926 [0,1,0,1,0,0|2,0,0]=4 6949 B11R1.4 OCCOCCC1CCCC1 7a_100000749090_100000211926 [0,1,0,1,0,0|2,0,0]=4 6950 B11R1.4 OCCOCCC1CCNC1 34a_100016987287_100000211926 [0,1,0,1,0,0|2,0,0]=4 6951 B11R1.4 OCCOCCC1CCOC1 34a_100011879284_100000211926 [0,1,0,1,0,0|1,0,0]=3 6952 B11R1.4 OCCOCCN1CCCC1 2230a_100000188435_100011215305 [0,1,0,1,0,0|2,0,0]=4 6953 B11R1.4 OCCOCCN1CCCC1 269982a_100000188435_100011215305 [0,1,0,1,0,0|2,0,0]=4 6954 B11R1.4 OCCOCCN1CCSC1 2230a_100011215254_100011215305 [0,1,0,1,0,0|1,1,0]=4 6955 B11R1.4 OCCOCCN1CCSC1 269982a_100011215254_100011215305 [0,1,0,1,0,0|1,1,0]=4 6956 B11R1.4 OCCSCCC1OCCO1 62a_100000211926_100000740749 [0,1,0,1,0,0|0,1,0]=3 6957 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [0,1,0,1,0,0|1,1,0]=4 6958 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|2,0,0]=4 6959 B11R1.16 CN(CCO)C1CCCOC1 269982a_100000210263_100000693364 [0,1,0,1,0,0|2,0,0]=4 6960 B11R1.16 CN(CCO)C1CCCOC1 270004a_100000210263_100000753404 [0,1,0,1,0,0|2,0,0]=4 6961 B11R1.16 O=C(CCF)C1COCCO1 1458a_100000045528_100011217306 [0,1,0,1,0,0|2,0,0]=4 6962 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|2,0,0]=4 6963 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,1,0,1,0,0|2,0,0]=4 6964 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,1,0,1,0,0|2,0,0]=4 6965 B11R1.16 O=C(CCO)C1COCCO1 1458a_100000045528_100000211926 [0,1,0,1,0,0|1,0,0]=3 6966 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [0,1,0,1,0,0|2,0,0]=4 6967 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,1,0,0|2,0,0]=4 6968 B11R1.24 OCCNC1CCCC(C1)O 2230a_100015190357_100000211926 [0,1,0,1,0,0|2,0,0]=4 6969 B11R1.24 OCCNC1CCCC(C1)O 270004a_100000210304_100012613340 [0,1,0,1,0,0|2,0,0]=4 6970 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,1,0,1,0,0|2,0,0]=4 6971 B11R1.30 CCCN(C)CC1OCCO1 2230a_100000747261_100000755774 [0,1,0,1,0,0|2,0,0]=4 6972 B11R1.30 CCCN(C)CC1OCCO1 2230a_200000032744_100000210303 [0,1,0,1,0,0|2,0,0]=4 6973 B11R1.30 CCCN(C)CC1OCCO1 269982a_100000747261_100000755774 [0,1,0,1,0,0|2,0,0]=4 6974 B11R1.30 CCCN(C)CC1OCCO1 269982a_200000032744_100000210303 [0,1,0,1,0,0|2,0,0]=4 6975 B11R1.30 CCCN(C)CC1OCCO1 34a_200000032744_100000210303 [0,1,0,1,0,0|2,0,0]=4 6976 B11R1.30 CN(CCF)CC1OCCO1 2230a_200000032744_100011217306 [0,1,0,1,0,0|2,0,0]=4 6977 B11R1.30 CN(CCF)CC1OCCO1 269982a_200000032744_100011217306 [0,1,0,1,0,0|2,0,0]=4 6978 B11R1.30 CN(CCF)CC1OCCO1 34a_200000032744_100011217306 [0,1,0,1,0,0|2,0,0]=4 6979 B11R1.30 CN(CCO)CC1CCCO1 2230a_100000210263_100000203698 [0,1,0,1,0,0|2,0,0]=4 6980 B11R1.30 CN(CCO)CC1CCCO1 2230a_100102946541_100000211926 [0,1,0,1,0,0|2,0,0]=4 6981 B11R1.30 CN(CCO)CC1CCCO1 269982a_100000210263_100000183445 [0,1,0,1,0,0|2,0,0]=4 6982 B11R1.30 CN(CCO)CC1CCCO1 269982a_100102946541_100000211926 [0,1,0,1,0,0|2,0,0]=4 6983 B11R1.30 CN(CCO)CC1CCCO1 34a_100102946541_100000211926 [0,1,0,1,0,0|2,0,0]=4 6984 B11R1.30 CN(CCO)CC1OCCO1 2230a_100000210263_100000755774 [0,1,0,1,0,0|1,0,0]=3 6985 B11R1.30 CN(CCO)CC1OCCO1 2230a_200000032744_100000211926 [0,1,0,1,0,0|1,0,0]=3 6986 B11R1.30 CN(CCO)CC1OCCO1 269982a_100000210263_100000755774 [0,1,0,1,0,0|1,0,0]=3 6987 B11R1.30 CN(CCO)CC1OCCO1 269982a_200000032744_100000211926 [0,1,0,1,0,0|1,0,0]=3 6988 B11R1.30 CN(CCO)CC1OCCO1 34a_200000032744_100000211926 [0,1,0,1,0,0|1,0,0]=3 6989 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,1,0,1,0,0|2,0,0]=4 6990 B11R1.30 O=C(CCO)CC1OCCO1 1458a_100011216618_100000755774 [0,1,0,1,0,0|1,0,0]=3 6991 B11R1.78 CC1CN(C1)CCOCCO 2230a_100000702820_100011215305 [0,1,0,1,0,0|2,0,0]=4 6992 B11R1.78 CC1CN(C1)CCOCCO 269982a_100000702820_100011215305 [0,1,0,1,0,0|2,0,0]=4 6993 B11R1.78 CC1CN(C1)CCOCCO 34a_100000702820_100000692535 [0,1,0,1,0,0|2,0,0]=4 6994 B11R1.78 CCCOCCN1CC(C1)O 269982a_100000749847_100011215938 [0,1,0,1,0,0|2,0,0]=4 6995 B11R1.78 OCCCCCN1CC(C1)O 269982a_100000749847_100000746330 [0,1,0,1,0,0|2,0,0]=4 6996 B11R1.78 OCCOCCN1CC(C1)F 2230a_100000690557_100011215305 [0,1,0,1,0,0|2,0,0]=4 6997 B11R1.78 OCCOCCN1CC(C1)F 269982a_100000690557_100011215305 [0,1,0,1,0,0|2,0,0]=4 6998 B11R1.78 OCCOCCN1CC(C1)F 34a_100000690557_100000692535 [0,1,0,1,0,0|2,0,0]=4 6999 B11R1.78 OCCOCCN1CC(C1)O 269982a_100000749847_100011215305 [0,1,0,1,0,0|1,0,0]=3 7000 B11R1.110 CCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000210303 [0,1,0,1,0,0|2,0,0]=4 7001 B11R1.110 CCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000210303 [0,1,0,1,0,0|2,0,0]=4 7002 B11R1.110 OCCN1CCCCC(C1)O 2230a_100025706797_100000211926 [0,1,0,1,0,0|2,0,0]=4 7003 B11R1.110 OCCN1CCCCC(C1)O 269982a_100025706797_100000211926 [0,1,0,1,0,0|2,0,0]=4 7004 B11R1.110 OCCN1CCOC[C@@H](C1)O 2230a_100016073750_100000211926 [0,1,0,1,0,0|1,0,0]=3 7005 B11R1.110 OCCN1CCOC[C@@H](C1)O 269982a_100016073750_100000211926 [0,1,0,1,0,0|1,0,0]=3 7006 B11R1.110 O[C@H]1COCCN(C1)CCF 2230a_100016073750_100011217306 [0,1,0,1,0,0|2,0,0]=4 7007 B11R1.110 O[C@H]1COCCN(C1)CCF 269982a_100016073750_100011217306 [0,1,0,1,0,0|2,0,0]=4 7008 B11R1.127 OCCC1CCN(C1)CCO 2230a_100016987287_100000211926 [0,1,0,1,0,0|2,0,0]=4 7009 B11R1.127 OCCC1CCN(C1)CCO 269982a_100016987287_100000211926 [0,1,0,1,0,0|2,0,0]=4 7010 B11R1.127 OCCC1CCN(C1)CCO 34a_100016987287_100000211926 [0,1,0,1,0,0|2,0,0]=4 7011 B11R1.180 C#CCCNC1COCC1O 34a_100000755551_200000725654 [0,1,0,1,0,0|2,0,0]=4 7012 B11R1.180 C#CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000688953 [0,1,0,1,0,0|2,0,0]=4 7013 B11R1.180 C#CCCOC1COCC1O 34a_100011215631_200000725654 [0,1,0,1,0,0|1,0,0]=3 7014 B11R1.180 C#CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000688953 [0,1,0,1,0,0|2,0,0]=4 7015 B11R1.180 C#CCCSC1COCC1O 62a_100000688953_200000725654 [0,1,0,1,0,0|1,1,0]=4 7016 B11R1.180 C#CCCSC1COCC1O 62a_200000725654_100000688953 [0,1,0,1,0,0|1,1,0]=4 7017 B11R1.180 C/C=C/COC1COCC1O 34a_100016270725_200000725654 [0,1,0,1,0,0|1,0,1]=4 7018 B11R1.180 C=CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000754431 [0,1,0,1,0,0|2,0,0]=4 7019 B11R1.180 C=CCCOC1COCC1O 34a_100011205117_200000725654 [0,1,0,1,0,0|1,0,0]=3 7020 B11R1.180 C=CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000754431 [0,1,0,1,0,0|2,0,0]=4 7021 B11R1.180 C=CCCSC1COCC1O 62a_100000754431_200000725654 [0,1,0,1,0,0|1,1,0]=4 7022 B11R1.180 C=CCCSC1COCC1O 62a_200000725654_100000754431 [0,1,0,1,0,0|1,1,0]=4 7023 B11R1.180 CC#CCOC1COCC1O 34a_100000761923_200000725654 [0,1,0,1,0,0|1,0,1]=4 7024 B11R1.180 CC1CCCC1OCCCO 34a_100011216460_100000230001 [0,1,0,1,0,0|2,0,0]=4 7025 B11R1.180 CC1CCCC1OCCCO 7a_100011216460_100011215043 [0,1,0,1,0,0|2,0,0]=4 7026 B11R1.180 CCCCNC1COCC1O 7a_106832991798_200000725654 [0,1,0,1,0,0|2,0,0]=4 7027 B11R1.180 CCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210211 [0,1,0,1,0,0|2,0,0]=4 7028 B11R1.180 CCCCOC1COCC1O 34a_100000210227_200000725654 [0,1,0,1,0,0|1,0,0]=3 7029 B11R1.180 CCCCOC1COCC1O 7a_100000210227_200000725654 [0,1,0,1,0,0|1,0,0]=3 7030 B11R1.180 CCCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210210 [0,1,0,1,0,0|2,0,0]=4 7031 B11R1.180 CCCCSC1COCC1O 62a_100000210211_200000725654 [0,1,0,1,0,0|1,1,0]=4 7032 B11R1.180 CCCCSC1COCC1O 62a_200000725654_100000210210 [0,1,0,1,0,0|1,1,0]=4 7033 B11R1.180 CCOCSC1COCC1O 62a_100000739092_200000725654 [0,1,0,1,0,0|1,1,0]=4 7034 B11R1.180 CCOCSC1COCC1O 62a_200000725654_100000739092 [0,1,0,1,0,0|1,1,0]=4 7035 B11R1.180 CN1CCCC1COCCO 34a_100000743107_100000211926 [0,1,0,1,0,0|2,0,0]=4 7036 B11R1.180 COCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011201679 [0,1,0,1,0,0|1,0,0]=3 7037 B11R1.180 COCCOC1CCCC1C 34a_100011216460_100011201679 [0,1,0,1,0,0|2,0,0]=4 7038 B11R1.180 COCCOC1CCCC1C 7a_100011216460_100000233755 [0,1,0,1,0,0|2,0,0]=4 7039 B11R1.180 COCCOC1COCC1O 34a_100000210237_200000725654 [0,1,0,1,0,0|0,0,0]=2 7040 B11R1.180 COCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011201679 [0,1,0,1,0,0|2,0,0]=4 7041 B11R1.180 COCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011201679 [0,1,0,1,0,0|2,0,0]=4 7042 B11R1.180 COCCO[C@H]1CNC[C@H]1C 34a_200015306588_100011201679 [0,1,0,1,0,0|2,0,0]=4 7043 B11R1.180 COCCO[C@H]1COC[C@@H]1N 34a_100015191717_100011201679 [0,1,0,1,0,0|1,0,0]=3 7044 B11R1.180 COCCSC1COCC1O 62a_100000233755_200000725654 [0,1,0,1,0,0|0,1,0]=3 7045 B11R1.180 COCCSC1COCC1O 62a_200000725654_100000233755 [0,1,0,1,0,0|0,1,0]=3 7046 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_100000233755_200016002552 [0,1,0,1,0,0|1,1,0]=4 7047 B11R1.180 COCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000233755 [0,1,0,1,0,0|1,1,0]=4 7048 B11R1.180 CSCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000751147 [0,1,0,1,0,0|1,1,0]=4 7049 B11R1.180 CSCCOC1COCC1O 34a_100000230434_200000725654 [0,1,0,1,0,0|0,1,0]=3 7050 B11R1.180 CSCCOC1COCC1O 7a_100000230434_200000725654 [0,1,0,1,0,0|0,1,0]=3 7051 B11R1.180 CSCCO[C@H]1COC[C@@H]1N 34a_100015191717_100000212216 [0,1,0,1,0,0|1,1,0]=4 7052 B11R1.180 CSCCSC1COCC1O 62a_100000212216_200000725654 [0,1,0,1,0,0|0,2,0]=4 7053 B11R1.180 CSCCSC1COCC1O 62a_200000725654_100000751147 [0,1,0,1,0,0|0,2,0]=4 7054 B11R1.180 C[C@@H]1CNC[C@@H]1OCCCO 34a_200015306588_100000230001 [0,1,0,1,0,0|2,0,0]=4 7055 B11R1.180 N#CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011215226 [0,1,0,1,0,0|2,0,0]=4 7056 B11R1.180 N#CCCSC1COCC1O 62a_100011215226_200000725654 [0,1,0,1,0,0|1,1,0]=4 7057 B11R1.180 N#CCCSC1COCC1O 62a_200000725654_100011215226 [0,1,0,1,0,0|1,1,0]=4 7058 B11R1.180 NCCCOC1COCC1O 34a_100000182051_200000725654 [0,1,0,1,0,0|1,0,0]=3 7059 B11R1.180 NOCCOC1COCC1O 34a_100000700252_200000725654 [0,1,0,1,0,0|0,0,0]=2 7060 B11R1.180 N[C@H]1CCC[C@@H]1OCCCO 34a_100000748460_100000230001 [0,1,0,1,0,0|2,0,0]=4 7061 B11R1.180 N[C@H]1COC[C@@H]1OCCCF 34a_100015191717_100011934791 [0,1,0,1,0,0|2,0,0]=4 7062 B11R1.180 N[C@H]1COC[C@@H]1OCCCO 34a_100015191717_100000230001 [0,1,0,1,0,0|1,0,0]=3 7063 B11R1.180 OC1COCC1NCCCF 34a_100015189416_200000725654 [0,1,0,1,0,0|2,0,0]=4 7064 B11R1.180 OC1COCC1OCCCBr 34a_100011217188_200000725654 [0,1,0,1,0,0|1,0,0]=3 7065 B11R1.180 OC1COCC1OCCCCl 34a_100000230001_200000725654 [0,1,0,1,0,0|1,0,0]=3 7066 B11R1.180 OC1COCC1OCCCF 34a_100000759539_200000725654 [0,1,0,1,0,0|1,0,0]=3 7067 B11R1.180 OC1COCC1SCCCF 62a_100011934791_200000725654 [0,1,0,1,0,0|1,1,0]=4 7068 B11R1.180 OC1COCC1SCCCF 62a_200000725654_100011934791 [0,1,0,1,0,0|1,1,0]=4 7069 B11R1.180 OCCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000230001 [0,1,0,1,0,0|1,0,0]=3 7070 B11R1.180 OCCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000230001 [0,1,0,1,0,0|2,0,0]=4 7071 B11R1.180 OCCCSC1COCC1O 62a_100011215043_200000725654 [0,1,0,1,0,0|0,1,0]=3 7072 B11R1.180 OCCCSC1COCC1O 62a_200000725654_100011215043 [0,1,0,1,0,0|0,1,0]=3 7073 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_100011215043_200016002552 [0,1,0,1,0,0|1,1,0]=4 7074 B11R1.180 OCCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100011215043 [0,1,0,1,0,0|1,1,0]=4 7075 B11R1.180 O[C@H]1COC[C@@H]1NCCCF 2230a_100015191717_100011934791 [0,1,0,1,0,0|2,0,0]=4 7076 B11R1.189 CCC1CN(CCO1)CCO 2230a_100000736320_100000211926 [0,1,0,1,0,0|2,0,0]=4 7077 B11R1.189 CCC1CN(CCO1)CCO 269982a_100000736320_100000211926 [0,1,0,1,0,0|2,0,0]=4 7078 B11R1.189 CCC1CN(CCO1)CCO 34a_100000736320_100000211926 [0,1,0,1,0,0|2,0,0]=4 7079 B11R1.189 CCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 7080 B11R1.189 CCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 7081 B11R1.189 CCCN1CCO[C@@H](C1)CO 34a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 7082 B11R1.189 OCCN1CCCC(C1)CO 2230a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 7083 B11R1.189 OCCN1CCCC(C1)CO 269982a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 7084 B11R1.189 OCCN1CCCC(C1)CO 34a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 7085 B11R1.189 OCCN1CCO[C@@H](C1)CO 2230a_100015189573_100000211926 [0,1,0,1,0,0|1,0,0]=3 7086 B11R1.189 OCCN1CCO[C@@H](C1)CO 269982a_100015189573_100000211926 [0,1,0,1,0,0|1,0,0]=3 7087 B11R1.189 OCCN1CCO[C@@H](C1)CO 34a_100015189573_100000211926 [0,1,0,1,0,0|1,0,0]=3 7088 B11R1.189 OC[C@@H]1CN(CCO1)CCF 2230a_100015189573_100011217306 [0,1,0,1,0,0|2,0,0]=4 7089 B11R1.189 OC[C@@H]1CN(CCO1)CCF 269982a_100015189573_100011217306 [0,1,0,1,0,0|2,0,0]=4 7090 B11R1.189 OC[C@@H]1CN(CCO1)CCF 34a_100015189573_100011217306 [0,1,0,1,0,0|2,0,0]=4 7091 B11R1.199 CN(CCO)[C@@H]1CCC[C@H]1O 269982a_100000210263_200016002552 [0,1,0,1,0,0|2,0,0]=4 7092 B11R1.210 CCCOC1CN(C1)CCO 269982a_200020626125_100000211926 [0,1,0,1,0,0|2,0,0]=4 7093 B11R1.210 CCCOC1CN(C1)CCO 34a_200020626125_100000211926 [0,1,0,1,0,0|2,0,0]=4 7094 B11R1.290 CN(CCO)CCCC1CO1 2230a_100000210263_100000733510 [0,1,0,1,0,0|2,0,0]=4 7095 B11R1.290 CN(CCO)CCCC1CO1 269982a_100000210263_100000733510 [0,1,0,1,0,0|2,0,0]=4 7096 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,1,0,1,0,0|2,0,0]=4 7097 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,1,0,1,0,0|2,0,0]=4 7098 B11R1.356 CN(CCOCCO)C1CC1 2230a_100000226674_100011215305 [0,1,0,1,0,0|2,0,0]=4 7099 B11R1.356 CN(CCOCCO)C1CC1 269982a_100000226674_100011215305 [0,1,0,1,0,0|2,0,0]=4 7100 B11R1.356 CN(CCOCCO)C1CC1 269982a_100000228057_100000211595 [0,1,0,1,0,0|2,0,0]=4 7101 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,1,0,1,0,0|2,0,0]=4 7102 B11R1.356 O=C(CCOCCO)C1CC1 1458a_100000210395_100011215305 [0,1,0,1,0,0|2,0,0]=4 7103 B11R1.356 O=C(CCOCCO)C1CO1 1458a_100000701028_100011215305 [0,1,0,1,0,0|1,0,0]=3 7104 B11R1.27 OCCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000211926 [0,1,0,1,0,0|2,0,0]=4 7105 B11R1.46 OCCOCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215305 [0,1,0,1,0,0|2,0,0]=4 7106 B11R1.46 OCCOCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011215305 [0,1,0,1,0,0|2,0,0]=4 7107 B11R1.46 OCCOCCN[C@@H]1C[C@H]1F 34a_100025746932_100000692535 [0,1,0,1,0,0|2,0,0]=4 7108 B11R1.57 CC(O)CN1CCC[C@@H]1CO 2230a_100000745186_100011218427 [0,1,0,1,0,0|2,0,0]=4 7109 B11R1.57 CC(O)CN1CCC[C@@H]1CO 269982a_100000745186_100011218427 [0,1,0,1,0,0|2,0,0]=4 7110 B11R1.57 CC(O)CN1CCC[C@@H]1CO 34a_100000745186_100011218427 [0,1,0,1,0,0|2,0,0]=4 7111 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 2230a_100000745186_100009817552 [0,1,0,1,0,0|2,0,0]=4 7112 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 269982a_100000745186_100009817552 [0,1,0,1,0,0|2,0,0]=4 7113 B11R1.57 C[C@@H](O)CN1CCC[C@@H]1CO 34a_100000745186_100009817552 [0,1,0,1,0,0|2,0,0]=4 7114 B11R1.86 CC(O)CN1CCOC[C@@H]1C 2230a_100009815349_100011218427 [0,1,0,1,0,0|2,0,0]=4 7115 B11R1.86 CC(O)CN1CCOC[C@@H]1C 269982a_100009815349_100011218427 [0,1,0,1,0,0|2,0,0]=4 7116 B11R1.86 CC(O)CN1CCOC[C@@H]1C 34a_100009815349_100011218427 [0,1,0,1,0,0|2,0,0]=4 7117 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 2230a_100009815349_100009817552 [0,1,0,1,0,0|2,0,0]=4 7118 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 269982a_100009815349_100009817552 [0,1,0,1,0,0|2,0,0]=4 7119 B11R1.86 C[C@@H](O)CN1CCOC[C@@H]1C 34a_100009815349_100009817552 [0,1,0,1,0,0|2,0,0]=4 7120 B11R1.90 C=C(C)COC1COCC1O 34a_100000210245_200000725654 [0,1,0,1,0,0|1,0,1]=4 7121 B11R1.90 C=C(F)COC1COCC1O 34a_200010262243_200000725654 [0,1,0,1,0,0|1,0,1]=4 7122 B11R1.90 CC(=O)COC1COCC1O 34a_100000211253_200000725654 [0,1,0,1,0,0|0,0,2]=4 7123 B11R1.90 CC(Br)COC1COCC1O 34a_100012180447_200000725654 [0,1,0,1,0,0|1,0,0]=3 7124 B11R1.90 CC(C)CNC1COCC1O 34a_100000210953_200000725654 [0,1,0,1,0,0|2,0,0]=4 7125 B11R1.90 CC(C)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210760 [0,1,0,1,0,0|2,0,0]=4 7126 B11R1.90 CC(C)CN[C@H]1COC[C@@H]1O 270004a_100015191717_100000210432 [0,1,0,1,0,0|2,0,0]=4 7127 B11R1.90 CC(C)COC1COCC1O 34a_100000210257_200000725654 [0,1,0,1,0,0|1,0,0]=3 7128 B11R1.90 CC(C)CO[C@H]1COC[C@@H]1N 34a_100015191717_100000210624 [0,1,0,1,0,0|2,0,0]=4 7129 B11R1.90 CC(C)CSC1COCC1O 62a_100000210624_200000725654 [0,1,0,1,0,0|1,1,0]=4 7130 B11R1.90 CC(C)CSC1COCC1O 62a_200000725654_100000210760 [0,1,0,1,0,0|1,1,0]=4 7131 B11R1.90 CC(F)COC1COCC1O 34a_100015925927_200000725654 [0,1,0,1,0,0|1,0,0]=3 7132 B11R1.90 CC(O)CNC1COCC1O 34a_100000210904_200000725654 [0,1,0,1,0,0|1,0,0]=3 7133 B11R1.90 CC(O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100011218427 [0,1,0,1,0,0|1,0,0]=3 7134 B11R1.90 CC(O)COC1CCCC1C 34a_100011216460_100011218427 [0,1,0,1,0,0|2,0,0]=4 7135 B11R1.90 CC(O)COC1CCCC1C 7a_100011216460_100011218427 [0,1,0,1,0,0|2,0,0]=4 7136 B11R1.90 CC(O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100011218427 [0,1,0,1,0,0|2,0,0]=4 7137 B11R1.90 CC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218427 [0,1,0,1,0,0|2,0,0]=4 7138 B11R1.90 CC(O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100011218427 [0,1,0,1,0,0|2,0,0]=4 7139 B11R1.90 CC(O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100011218427 [0,1,0,1,0,0|1,0,0]=3 7140 B11R1.90 CC(O)CSC1COCC1O 62a_100011218427_200000725654 [0,1,0,1,0,0|0,1,0]=3 7141 B11R1.90 CC(O)CSC1COCC1O 62a_200000725654_100011218427 [0,1,0,1,0,0|0,1,0]=3 7142 B11R1.90 CC(O)CS[C@@H]1CCC[C@H]1O 62a_100011218427_200016002552 [0,1,0,1,0,0|1,1,0]=4 7143 B11R1.90 CC(O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100011218427 [0,1,0,1,0,0|1,1,0]=4 7144 B11R1.90 CC1CCCC1OC[C@@H](C)O 34a_100011216460_100009817552 [0,1,0,1,0,0|2,0,0]=4 7145 B11R1.90 CC1CCCC1OC[C@@H](C)O 7a_100011216460_100009817552 [0,1,0,1,0,0|2,0,0]=4 7146 B11R1.90 C[C@@H](Cl)COC1COCC1O 34a_100016084084_200000725654 [0,1,0,1,0,0|1,0,0]=3 7147 B11R1.90 C[C@@H](N)COC1COCC1O 34a_100000737577_200000725654 [0,1,0,1,0,0|1,0,0]=3 7148 B11R1.90 C[C@@H](O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100009817552 [0,1,0,1,0,0|1,0,0]=3 7149 B11R1.90 C[C@@H](O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009817552 [0,1,0,1,0,0|2,0,0]=4 7150 B11R1.90 C[C@@H](O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817552 [0,1,0,1,0,0|2,0,0]=4 7151 B11R1.90 C[C@@H](O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100009817552 [0,1,0,1,0,0|1,0,0]=3 7152 B11R1.90 C[C@@H](O)CSC1COCC1O 62a_100009817552_200000725654 [0,1,0,1,0,0|0,1,0]=3 7153 B11R1.90 C[C@@H](O)CSC1COCC1O 62a_200000725654_100009817552 [0,1,0,1,0,0|0,1,0]=3 7154 B11R1.90 C[C@@H](O)CS[C@@H]1CCC[C@H]1O 62a_100009817552_200016002552 [0,1,0,1,0,0|1,1,0]=4 7155 B11R1.90 C[C@@H](O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100009817552 [0,1,0,1,0,0|1,1,0]=4 7156 B11R1.90 C[C@@H]1CNC[C@@H]1OC[C@@H](C)O 34a_200015306588_100009817552 [0,1,0,1,0,0|2,0,0]=4 7157 B11R1.90 N[C@H]1COC[C@@H]1OCC(F)F 34a_100015191717_100011934356 [0,1,0,1,0,0|2,0,0]=4 7158 B11R1.90 O=C(O)CNC1COCC1O 269956a_100016091260_200000725654 [0,1,0,1,0,0|1,0,1]=4 7159 B11R1.90 OC1COCC1NCC(F)F 34a_100000765723_200000725654 [0,1,0,1,0,0|2,0,0]=4 7160 B11R1.90 OC1COCC1OCC(F)F 34a_100000743014_200000725654 [0,1,0,1,0,0|1,0,0]=3 7161 B11R1.90 OC1COCC1SCC(F)F 62a_100011934356_200000725654 [0,1,0,1,0,0|1,1,0]=4 7162 B11R1.90 OC1COCC1SCC(F)F 62a_200000725654_100011934356 [0,1,0,1,0,0|1,1,0]=4 7163 B11R1.90 O[C@H]1COC[C@@H]1NCC(F)F 2230a_100015191717_100011934356 [0,1,0,1,0,0|2,0,0]=4 7164 B11R1.91 CC(Br)COC1CCCOC1 34a_100012180447_100000693364 [0,1,0,1,0,0|2,0,0]=4 7165 B11R1.91 CC(C)COC1CCCCO1 34a_100000033831_100000210624 [0,1,0,1,0,0|2,0,0]=4 7166 B11R1.91 CC(C)COC1CCCOC1 34a_100000210257_100000693364 [0,1,0,1,0,0|2,0,0]=4 7167 B11R1.91 CC(C)COC1CCCOC1 34a_100000754041_100000210624 [0,1,0,1,0,0|2,0,0]=4 7168 B11R1.91 CC(F)COC1CCCOC1 34a_100015925927_100000693364 [0,1,0,1,0,0|2,0,0]=4 7169 B11R1.91 CC(O)CNC1CCCOC1 2230a_100000719290_100011218427 [0,1,0,1,0,0|2,0,0]=4 7170 B11R1.91 CC(O)CNC1CCCOC1 270004a_100000210904_100000753404 [0,1,0,1,0,0|2,0,0]=4 7171 B11R1.91 CC(O)CNC1CCCOC1 34a_100000210904_100000693364 [0,1,0,1,0,0|2,0,0]=4 7172 B11R1.91 CC(O)CNC1CCCOC1 34a_100000719290_100011218427 [0,1,0,1,0,0|2,0,0]=4 7173 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,1,0,1,0,0|2,0,0]=4 7174 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,1,0,1,0,0|2,0,0]=4 7175 B11R1.91 CC(O)COC1CCCCO1 34a_100000033831_100011218427 [0,1,0,1,0,0|1,0,0]=3 7176 B11R1.91 CC(O)COC1CCCOC1 34a_100000754041_100011218427 [0,1,0,1,0,0|1,0,0]=3 7177 B11R1.91 CC(O)COC1CCCSC1 7a_100015962668_100011218427 [0,1,0,1,0,0|1,1,0]=4 7178 B11R1.91 CC(O)CSC1CCCOC1 62a_100011218427_100000693364 [0,1,0,1,0,0|1,1,0]=4 7179 B11R1.91 C[C@@H](Cl)COC1CCCOC1 34a_100016084084_100000693364 [0,1,0,1,0,0|2,0,0]=4 7180 B11R1.91 C[C@@H](N)COC1CCCOC1 34a_100000737577_100000693364 [0,1,0,1,0,0|2,0,0]=4 7181 B11R1.91 C[C@@H](O)CNC1CCCOC1 2230a_100000719290_100009817552 [0,1,0,1,0,0|2,0,0]=4 7182 B11R1.91 C[C@@H](O)CNC1CCCOC1 34a_100000719290_100009817552 [0,1,0,1,0,0|2,0,0]=4 7183 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,1,0,1,0,0|2,0,0]=4 7184 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,1,0,1,0,0|2,0,0]=4 7185 B11R1.91 C[C@@H](O)COC1CCCCO1 34a_100000033831_100009817552 [0,1,0,1,0,0|1,0,0]=3 7186 B11R1.91 C[C@@H](O)COC1CCCOC1 34a_100000754041_100009817552 [0,1,0,1,0,0|1,0,0]=3 7187 B11R1.91 C[C@@H](O)COC1CCCSC1 7a_100015962668_100009817552 [0,1,0,1,0,0|1,1,0]=4 7188 B11R1.91 C[C@@H](O)CSC1CCCOC1 62a_100009817552_100000693364 [0,1,0,1,0,0|1,1,0]=4 7189 B11R1.91 FC(F)COC1CCCCO1 34a_100000033831_100011934356 [0,1,0,1,0,0|2,0,0]=4 7190 B11R1.91 FC(F)COC1CCCOC1 34a_100000743014_100000693364 [0,1,0,1,0,0|2,0,0]=4 7191 B11R1.91 FC(F)COC1CCCOC1 34a_100000754041_100011934356 [0,1,0,1,0,0|2,0,0]=4 7192 B11R1.99 BrCCCCCOCC1CO1 34a_100000746331_102125554688 [0,1,0,1,0,0|2,0,0]=4 7193 B11R1.99 BrCCCCCOCC1CO1 7a_100000746331_102125554688 [0,1,0,1,0,0|2,0,0]=4 7194 B11R1.99 BrCCCCCOC[C@@H]1CO1 7a_100000746331_100000745022 [0,1,0,1,0,0|2,0,0]=4 7195 B11R1.99 BrCCCOCCCC1CO1 34a_100011217188_100000733510 [0,1,0,1,0,0|2,0,0]=4 7196 B11R1.99 BrCCOCCOCC1CC1 34a_100000692535_100000742324 [0,1,0,1,0,0|2,0,0]=4 7197 B11R1.99 BrCCOCCOCC1CC1 7a_100000692535_100000742324 [0,1,0,1,0,0|2,0,0]=4 7198 B11R1.99 BrCCOCCOCC1CO1 34a_100000692535_102125554688 [0,1,0,1,0,0|1,0,0]=3 7199 B11R1.99 BrCCOCCOCC1CO1 7a_100000692535_102125554688 [0,1,0,1,0,0|1,0,0]=3 7200 B11R1.99 BrCCOCCOCC1CS1 7a_100000692535_100000031435 [0,1,0,1,0,0|1,1,0]=4 7201 B11R1.99 BrCCOCCOC[C@@H]1CO1 7a_100000692535_100000745022 [0,1,0,1,0,0|1,0,0]=3 7202 B11R1.99 C#CCCOCCCC1CO1 34a_100011215631_100000733510 [0,1,0,1,0,0|2,0,0]=4 7203 B11R1.99 C#CCOCCOCC1CO1 34a_100000054580_102125554688 [0,1,0,1,0,0|1,0,1]=4 7204 B11R1.99 C#CCOCCOCC1CO1 7a_100000054580_102125554688 [0,1,0,1,0,0|1,0,1]=4 7205 B11R1.99 C#CCOCCOC[C@@H]1CO1 34a_100000757423_100010402529 [0,1,0,1,0,0|1,0,1]=4 7206 B11R1.99 C#CCOCCOC[C@@H]1CO1 7a_100000054580_100000745022 [0,1,0,1,0,0|1,0,1]=4 7207 B11R1.99 C=CCCOCCCC1CO1 34a_100011205117_100000733510 [0,1,0,1,0,0|2,0,0]=4 7208 B11R1.99 C=CCOCCOCC1CO1 34a_100000037705_102125554688 [0,1,0,1,0,0|1,0,1]=4 7209 B11R1.99 C=CCOCCOCC1CO1 7a_100000037705_102125554688 [0,1,0,1,0,0|1,0,1]=4 7210 B11R1.99 C=CCOCCOC[C@@H]1CO1 7a_100000037705_100000745022 [0,1,0,1,0,0|1,0,1]=4 7211 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,1,0,1,0,0|2,0,0]=4 7212 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,1,0,1,0,0|2,0,0]=4 7213 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,1,0,1,0,0|2,0,0]=4 7214 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,1,0,1,0,0|2,0,0]=4 7215 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,1,0,1,0,0|2,0,0]=4 7216 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,1,0,1,0,0|2,0,0]=4 7217 B11R1.99 CCCCOCCOC1CC1 34a_100000210238_100000211595 [0,1,0,1,0,0|2,0,0]=4 7218 B11R1.99 CCCOCCNCC1CO1 2230a_100161115042_100011216344 [0,1,0,1,0,0|2,0,0]=4 7219 B11R1.99 CCCOCCNCC1CO1 34a_100161115042_102125554688 [0,1,0,1,0,0|2,0,0]=4 7220 B11R1.99 CCCOCCOCC1CC1 34a_100000211283_100011215938 [0,1,0,1,0,0|2,0,0]=4 7221 B11R1.99 CCCOCCOCC1CC1 34a_100000752267_100000742324 [0,1,0,1,0,0|2,0,0]=4 7222 B11R1.99 CCCOCCOCC1CC1 7a_100000752267_100000742324 [0,1,0,1,0,0|2,0,0]=4 7223 B11R1.99 CCCOCCOCC1CO1 34a_100000752267_102125554688 [0,1,0,1,0,0|1,0,0]=3 7224 B11R1.99 CCCOCCOCC1CO1 7a_100000752267_102125554688 [0,1,0,1,0,0|1,0,0]=3 7225 B11R1.99 CCCOCCOCC1CS1 7a_100000752267_100000031435 [0,1,0,1,0,0|1,1,0]=4 7226 B11R1.99 CCCOCCOC[C@@H]1CO1 34a_100000757423_100011215938 [0,1,0,1,0,0|1,0,0]=3 7227 B11R1.99 CCCOCCOC[C@@H]1CO1 7a_100000752267_100000745022 [0,1,0,1,0,0|1,0,0]=3 7228 B11R1.99 CCCOCCSCC1CO1 62a_100011215938_102125554688 [0,1,0,1,0,0|1,1,0]=4 7229 B11R1.99 CCCOCCSCC1CO1 62a_102125554688_100011215938 [0,1,0,1,0,0|1,1,0]=4 7230 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100000745022_100011215938 [0,1,0,1,0,0|1,1,0]=4 7231 B11R1.99 CCCOCCSC[C@@H]1CO1 62a_100011215938_100000745022 [0,1,0,1,0,0|1,1,0]=4 7232 B11R1.99 CCCSCCOCC1CO1 34a_200000230433_102125554688 [0,1,0,1,0,0|1,1,0]=4 7233 B11R1.99 CCCSCCOCC1CO1 7a_200000230433_102125554688 [0,1,0,1,0,0|1,1,0]=4 7234 B11R1.99 CCCSCCOC[C@@H]1CO1 7a_200000230433_100000745022 [0,1,0,1,0,0|1,1,0]=4 7235 B11R1.99 CNCCOCCOC1CC1 34a_100000228057_100000211595 [0,1,0,1,0,0|2,0,0]=4 7236 B11R1.99 COCCNCCCC1CO1 2230a_100000209980_100000733510 [0,1,0,1,0,0|2,0,0]=4 7237 B11R1.99 COCCOCCCC1CO1 34a_100000210237_100000733510 [0,1,0,1,0,0|1,0,0]=3 7238 B11R1.99 COCCOCCNC1CC1 34a_100000212008_100000695917 [0,1,0,1,0,0|2,0,0]=4 7239 B11R1.99 COCCOCCNC1CC1 34a_100000738766_100011201679 [0,1,0,1,0,0|2,0,0]=4 7240 B11R1.99 COCCOCCNC1CC1 34a_100000745349_100000211595 [0,1,0,1,0,0|2,0,0]=4 7241 B11R1.99 COCCOCCOC1CC1 34a_100011215163_100000211595 [0,1,0,1,0,0|1,0,0]=3 7242 B11R1.99 COCCOCCSC1CC1 62a_100000695917_100000211595 [0,1,0,1,0,0|1,1,0]=4 7243 B11R1.99 COCCOCSCC1CO1 62a_100000231047_102125554688 [0,1,0,1,0,0|2,0,0]=4 7244 B11R1.99 COCCOCSCC1CO1 62a_102125554688_100000231047 [0,1,0,1,0,0|2,0,0]=4 7245 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000231047_100000745022 [0,1,0,1,0,0|2,0,0]=4 7246 B11R1.99 COCCOCSC[C@@H]1CO1 62a_100000745022_100000231047 [0,1,0,1,0,0|2,0,0]=4 7247 B11R1.99 COCCSCCCC1CO1 62a_100000233755_100000733510 [0,1,0,1,0,0|1,1,0]=4 7248 B11R1.99 COCCSCCCC1CO1 62a_100000733510_100000233755 [0,1,0,1,0,0|1,1,0]=4 7249 B11R1.99 CSCCOCCCC1CO1 34a_100000230434_100000733510 [0,1,0,1,0,0|1,1,0]=4 7250 B11R1.99 CSCCOCCCC1CO1 7a_100000230434_100000733510 [0,1,0,1,0,0|1,1,0]=4 7251 B11R1.99 ClCCCCCOCC1CO1 34a_100000746330_102125554688 [0,1,0,1,0,0|2,0,0]=4 7252 B11R1.99 ClCCCCCOCC1CO1 7a_100000746330_102125554688 [0,1,0,1,0,0|2,0,0]=4 7253 B11R1.99 ClCCCCCOC[C@@H]1CO1 7a_100000746330_100000745022 [0,1,0,1,0,0|2,0,0]=4 7254 B11R1.99 ClCCCOCCCC1CO1 34a_100000230001_100000733510 [0,1,0,1,0,0|2,0,0]=4 7255 B11R1.99 ClCCOCCOCC1CC1 34a_100011215305_100000742324 [0,1,0,1,0,0|2,0,0]=4 7256 B11R1.99 ClCCOCCOCC1CC1 7a_100011215305_100000742324 [0,1,0,1,0,0|2,0,0]=4 7257 B11R1.99 ClCCOCCOCC1CO1 34a_100011215305_102125554688 [0,1,0,1,0,0|1,0,0]=3 7258 B11R1.99 ClCCOCCOCC1CO1 7a_100011215305_102125554688 [0,1,0,1,0,0|1,0,0]=3 7259 B11R1.99 ClCCOCCOCC1CS1 7a_100011215305_100000031435 [0,1,0,1,0,0|1,1,0]=4 7260 B11R1.99 ClCCOCCOC[C@@H]1CO1 7a_100011215305_100000745022 [0,1,0,1,0,0|1,0,0]=3 7261 B11R1.99 FCCCCCOC[C@@H]1CO1 34a_100000757423_100000729378 [0,1,0,1,0,0|2,0,0]=4 7262 B11R1.99 FCCCOCCCC1CO1 34a_100000759539_100000733510 [0,1,0,1,0,0|2,0,0]=4 7263 B11R1.99 FCCOCCOCC1CC1 34a_200015357709_100000742324 [0,1,0,1,0,0|2,0,0]=4 7264 B11R1.99 FCCOCCOCC1CC1 7a_200015357709_100000742324 [0,1,0,1,0,0|2,0,0]=4 7265 B11R1.99 FCCOCCOCC1CO1 34a_200015357709_102125554688 [0,1,0,1,0,0|1,0,0]=3 7266 B11R1.99 FCCOCCOCC1CO1 7a_200015357709_102125554688 [0,1,0,1,0,0|1,0,0]=3 7267 B11R1.99 FCCOCCOCC1CS1 7a_200015357709_100000031435 [0,1,0,1,0,0|1,1,0]=4 7268 B11R1.99 FCCOCCOC[C@@H]1CO1 7a_200015357709_100000745022 [0,1,0,1,0,0|1,0,0]=3 7269 B11R1.99 ICCCCCOCC1CO1 34a_200012148887_102125554688 [0,1,0,1,0,0|2,0,0]=4 7270 B11R1.99 ICCCCCOCC1CO1 7a_200012148887_102125554688 [0,1,0,1,0,0|2,0,0]=4 7271 B11R1.99 ICCCCCOC[C@@H]1CO1 7a_200012148887_100000745022 [0,1,0,1,0,0|2,0,0]=4 7272 B11R1.99 ICCOCCOCC1CC1 34a_100012149058_100000742324 [0,1,0,1,0,0|2,0,0]=4 7273 B11R1.99 ICCOCCOCC1CC1 7a_100012149058_100000742324 [0,1,0,1,0,0|2,0,0]=4 7274 B11R1.99 ICCOCCOCC1CO1 34a_100012149058_102125554688 [0,1,0,1,0,0|1,0,0]=3 7275 B11R1.99 ICCOCCOCC1CO1 7a_100012149058_102125554688 [0,1,0,1,0,0|1,0,0]=3 7276 B11R1.99 ICCOCCOCC1CS1 7a_100012149058_100000031435 [0,1,0,1,0,0|1,1,0]=4 7277 B11R1.99 ICCOCCOC[C@@H]1CO1 7a_100012149058_100000745022 [0,1,0,1,0,0|1,0,0]=3 7278 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|2,0,0]=4 7279 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [0,1,0,1,0,0|2,0,0]=4 7280 B11R1.99 NCCOCCOCC1CC1 34a_100000211614_100000742324 [0,1,0,1,0,0|2,0,0]=4 7281 B11R1.99 NCCOCCOCC1CO1 34a_100000211614_102125554688 [0,1,0,1,0,0|1,0,0]=3 7282 B11R1.99 NOCCOCCCC1CO1 34a_100000700252_100000733510 [0,1,0,1,0,0|1,0,0]=3 7283 B11R1.99 OCCCCCNCC1CO1 2230a_100000762737_100011216344 [0,1,0,1,0,0|2,0,0]=4 7284 B11R1.99 OCCCCCNCC1CO1 34a_100000762737_102125554688 [0,1,0,1,0,0|2,0,0]=4 7285 B11R1.99 OCCCCCOCC1CC1 34a_100000211283_100000746330 [0,1,0,1,0,0|2,0,0]=4 7286 B11R1.99 OCCCCCOC[C@@H]1CO1 34a_100000757423_100000746330 [0,1,0,1,0,0|1,0,0]=3 7287 B11R1.99 OCCCCCSCC1CO1 62a_100000746330_102125554688 [0,1,0,1,0,0|1,1,0]=4 7288 B11R1.99 OCCCCCSCC1CO1 62a_102125554688_100000746330 [0,1,0,1,0,0|1,1,0]=4 7289 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000745022_100000746330 [0,1,0,1,0,0|1,1,0]=4 7290 B11R1.99 OCCCCCSC[C@@H]1CO1 62a_100000746330_100000745022 [0,1,0,1,0,0|1,1,0]=4 7291 B11R1.99 OCCCCNCCC1CO1 2230a_100000750430_100000732470 [0,1,0,1,0,0|2,0,0]=4 7292 B11R1.99 OCCCCNCCC1CO1 34a_100000750430_100000732470 [0,1,0,1,0,0|2,0,0]=4 7293 B11R1.99 OCCCCOCC[C@@H]1CO1 34a_100009820653_100011216708 [0,1,0,1,0,0|2,0,0]=4 7294 B11R1.99 OCCCCSCCC1CO1 62a_100000210776_100000732470 [0,1,0,1,0,0|2,0,0]=4 7295 B11R1.99 OCCCCSCCC1CO1 62a_100000732470_100000210776 [0,1,0,1,0,0|2,0,0]=4 7296 B11R1.99 OCCCOCCNC1CC1 34a_100000738766_100000230001 [0,1,0,1,0,0|2,0,0]=4 7297 B11R1.99 OCCCSCCCC1CO1 62a_100000733510_100011215043 [0,1,0,1,0,0|1,1,0]=4 7298 B11R1.99 OCCCSCCCC1CO1 62a_100011215043_100000733510 [0,1,0,1,0,0|1,1,0]=4 7299 B11R1.99 OCCOCCNCC1CC1 2230a_100000211614_100000742324 [0,1,0,1,0,0|2,0,0]=4 7300 B11R1.99 OCCOCCNCC1CC1 2230a_100000735609_100011215305 [0,1,0,1,0,0|2,0,0]=4 7301 B11R1.99 OCCOCCNCC1CC1 269862a_100000211614_100000741477 [0,1,0,1,0,0|2,0,0]=4 7302 B11R1.99 OCCOCCNCC1CC1 34a_100000211614_100000742324 [0,1,0,1,0,0|2,0,0]=4 7303 B11R1.99 OCCOCCNCC1CC1 34a_100000735609_100000692535 [0,1,0,1,0,0|2,0,0]=4 7304 B11R1.99 OCCOCCNCC1CO1 2230a_100000211614_100011216344 [0,1,0,1,0,0|1,0,0]=3 7305 B11R1.99 OCCOCCNCC1CO1 34a_100000211614_102125554688 [0,1,0,1,0,0|1,0,0]=3 7306 B11R1.99 OCCOCCOCC1CC1 34a_100000211283_100000692535 [0,1,0,1,0,0|1,0,0]=3 7307 B11R1.99 OCCOCCOC[C@@H]1CO1 34a_100000757423_100000692535 [0,1,0,1,0,0|0,0,0]=2 7308 B11R1.99 OCCOCCSCC1CC1 62a_100000756562_100011215305 [0,1,0,1,0,0|1,1,0]=4 7309 B11R1.99 OCCOCCSCC1CC1 62a_100011215305_100000742324 [0,1,0,1,0,0|1,1,0]=4 7310 B11R1.99 OCCOCCSCC1CO1 62a_100011215305_102125554688 [0,1,0,1,0,0|0,1,0]=3 7311 B11R1.99 OCCOCCSCC1CO1 62a_102125554688_100011215305 [0,1,0,1,0,0|0,1,0]=3 7312 B11R1.99 OCCOCCSCC1CS1 62a_100000031435_100011215305 [0,1,0,1,0,0|0,2,0]=4 7313 B11R1.99 OCCOCCSCC1CS1 62a_100011215305_100000031435 [0,1,0,1,0,0|0,2,0]=4 7314 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100000745022_100011215305 [0,1,0,1,0,0|0,1,0]=3 7315 B11R1.99 OCCOCCSC[C@@H]1CO1 62a_100011215305_100000745022 [0,1,0,1,0,0|0,1,0]=3 7316 B11R1.99 OCCSCCNCC1CO1 2230a_100011219999_100011216344 [0,1,0,1,0,0|1,1,0]=4 7317 B11R1.172 C=C(C)COCC1OCCO1 34a_100000087154_100000748629 [0,1,0,1,0,0|1,0,1]=4 7318 B11R1.172 C=C(C)COCC1OCCO1 34a_100000210245_100000755774 [0,1,0,1,0,0|1,0,1]=4 7319 B11R1.172 C=C(F)COCC1OCCO1 34a_100000087154_100009893438 [0,1,0,1,0,0|1,0,1]=4 7320 B11R1.172 C=C(F)COCC1OCCO1 34a_200010262243_100000755774 [0,1,0,1,0,0|1,0,1]=4 7321 B11R1.172 CC(=O)COCC1OCCO1 34a_100000211253_100000755774 [0,1,0,1,0,0|0,0,2]=4 7322 B11R1.172 CC(Br)COCC1OCCO1 34a_100012180447_100000755774 [0,1,0,1,0,0|1,0,0]=3 7323 B11R1.172 CC(C)CNCC1OCCO1 2230a_100000036311_100000210760 [0,1,0,1,0,0|2,0,0]=4 7324 B11R1.172 CC(C)CNCC1OCCO1 2230a_100000210953_100000755774 [0,1,0,1,0,0|2,0,0]=4 7325 B11R1.172 CC(C)CNCC1OCCO1 270004a_100000036311_100000210432 [0,1,0,1,0,0|2,0,0]=4 7326 B11R1.172 CC(C)CNCC1OCCO1 34a_100000036311_100000210624 [0,1,0,1,0,0|2,0,0]=4 7327 B11R1.172 CC(C)CNCC1OCCO1 34a_100000210953_100000755774 [0,1,0,1,0,0|2,0,0]=4 7328 B11R1.172 CC(C)COCC1CCCO1 34a_100000210270_100000210624 [0,1,0,1,0,0|2,0,0]=4 7329 B11R1.172 CC(C)COCC1CCCO1 7a_100000210270_100000210760 [0,1,0,1,0,0|2,0,0]=4 7330 B11R1.172 CC(C)COCC1OCCO1 34a_100000087154_100000210624 [0,1,0,1,0,0|1,0,0]=3 7331 B11R1.172 CC(C)COCC1OCCO1 34a_100000210257_100000755774 [0,1,0,1,0,0|1,0,0]=3 7332 B11R1.172 CC(C)CSCC1OCCO1 62a_100000210624_100000755774 [0,1,0,1,0,0|1,1,0]=4 7333 B11R1.172 CC(C)CSCC1OCCO1 62a_100000755774_100000210760 [0,1,0,1,0,0|1,1,0]=4 7334 B11R1.172 CC(F)COCC1OCCO1 34a_100015925927_100000755774 [0,1,0,1,0,0|1,0,0]=3 7335 B11R1.172 CC(O)CNCC1CCCO1 2230a_100000210904_100000203698 [0,1,0,1,0,0|2,0,0]=4 7336 B11R1.172 CC(O)CNCC1OCCO1 2230a_100000036311_100011218427 [0,1,0,1,0,0|1,0,0]=3 7337 B11R1.172 CC(O)CNCC1OCCO1 2230a_100000210904_100000755774 [0,1,0,1,0,0|1,0,0]=3 7338 B11R1.172 CC(O)CNCC1OCCO1 34a_100000036311_100011218427 [0,1,0,1,0,0|1,0,0]=3 7339 B11R1.172 CC(O)CNCC1OCCO1 34a_100000210904_100000755774 [0,1,0,1,0,0|1,0,0]=3 7340 B11R1.172 CC(O)CNC[C@@H]1CCCO1 2230a_100020590478_100011218427 [0,1,0,1,0,0|2,0,0]=4 7341 B11R1.172 CC(O)CNC[C@@H]1CCCO1 34a_100020590478_100011218427 [0,1,0,1,0,0|2,0,0]=4 7342 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,1,0,1,0,0|2,0,0]=4 7343 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,1,0,1,0,0|2,0,0]=4 7344 B11R1.172 CC(O)COCC1CCCO1 34a_100000210270_100011218427 [0,1,0,1,0,0|1,0,0]=3 7345 B11R1.172 CC(O)COCC1CCCO1 7a_100000210270_100011218427 [0,1,0,1,0,0|1,0,0]=3 7346 B11R1.172 CC(O)COCC1COCO1 34a_100011216627_100011218427 [0,1,0,1,0,0|2,0,0]=4 7347 B11R1.172 CC(O)COCC1OCCO1 34a_100000087154_100011218427 [0,1,0,1,0,0|0,0,0]=2 7348 B11R1.172 CC(O)COC[C@H]1CCCN1 34a_100000745186_100011218427 [0,1,0,1,0,0|2,0,0]=4 7349 B11R1.172 CC(O)CSCC1CCCO1 62a_100000203698_100011218427 [0,1,0,1,0,0|1,1,0]=4 7350 B11R1.172 CC(O)CSCC1CCCO1 62a_100011218427_100000203698 [0,1,0,1,0,0|1,1,0]=4 7351 B11R1.172 CC(O)CSCC1OCCO1 62a_100000755774_100011218427 [0,1,0,1,0,0|0,1,0]=3 7352 B11R1.172 CC(O)CSCC1OCCO1 62a_100011218427_100000755774 [0,1,0,1,0,0|0,1,0]=3 7353 B11R1.172 C[C@@H](Cl)COCC1OCCO1 34a_100016084084_100000755774 [0,1,0,1,0,0|1,0,0]=3 7354 B11R1.172 C[C@@H](N)COCC1OCCO1 34a_100000737577_100000755774 [0,1,0,1,0,0|1,0,0]=3 7355 B11R1.172 C[C@@H](O)CNCC1OCCO1 2230a_100000036311_100009817552 [0,1,0,1,0,0|1,0,0]=3 7356 B11R1.172 C[C@@H](O)CNCC1OCCO1 34a_100000036311_100009817552 [0,1,0,1,0,0|1,0,0]=3 7357 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 2230a_100020590478_100009817552 [0,1,0,1,0,0|2,0,0]=4 7358 B11R1.172 C[C@@H](O)CNC[C@@H]1CCCO1 34a_100020590478_100009817552 [0,1,0,1,0,0|2,0,0]=4 7359 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,1,0,1,0,0|2,0,0]=4 7360 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,1,0,1,0,0|2,0,0]=4 7361 B11R1.172 C[C@@H](O)COCC1CCCO1 34a_100000210270_100009817552 [0,1,0,1,0,0|1,0,0]=3 7362 B11R1.172 C[C@@H](O)COCC1CCCO1 7a_100000210270_100009817552 [0,1,0,1,0,0|1,0,0]=3 7363 B11R1.172 C[C@@H](O)COCC1COCO1 34a_100011216627_100009817552 [0,1,0,1,0,0|2,0,0]=4 7364 B11R1.172 C[C@@H](O)COCC1OCCO1 34a_100000087154_100009817552 [0,1,0,1,0,0|0,0,0]=2 7365 B11R1.172 C[C@@H](O)COC[C@H]1CCCN1 34a_100000745186_100009817552 [0,1,0,1,0,0|2,0,0]=4 7366 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100000203698_100009817552 [0,1,0,1,0,0|1,1,0]=4 7367 B11R1.172 C[C@@H](O)CSCC1CCCO1 62a_100009817552_100000203698 [0,1,0,1,0,0|1,1,0]=4 7368 B11R1.172 C[C@@H](O)CSCC1OCCO1 62a_100000755774_100009817552 [0,1,0,1,0,0|0,1,0]=3 7369 B11R1.172 C[C@@H](O)CSCC1OCCO1 62a_100009817552_100000755774 [0,1,0,1,0,0|0,1,0]=3 7370 B11R1.172 FC(F)CNCC1OCCO1 2230a_100000036311_100011934356 [0,1,0,1,0,0|2,0,0]=4 7371 B11R1.172 FC(F)CNCC1OCCO1 34a_100000036311_100011934356 [0,1,0,1,0,0|2,0,0]=4 7372 B11R1.172 FC(F)CNCC1OCCO1 34a_100000765723_100000755774 [0,1,0,1,0,0|2,0,0]=4 7373 B11R1.172 FC(F)COCC1CCCO1 34a_100000210270_100011934356 [0,1,0,1,0,0|2,0,0]=4 7374 B11R1.172 FC(F)COCC1CCCO1 7a_100000210270_100011934356 [0,1,0,1,0,0|2,0,0]=4 7375 B11R1.172 FC(F)COCC1OCCO1 34a_100000087154_100011934356 [0,1,0,1,0,0|1,0,0]=3 7376 B11R1.172 FC(F)COCC1OCCO1 34a_100000743014_100000755774 [0,1,0,1,0,0|1,0,0]=3 7377 B11R1.172 FC(F)CSCC1OCCO1 62a_100000755774_100011934356 [0,1,0,1,0,0|1,1,0]=4 7378 B11R1.172 FC(F)CSCC1OCCO1 62a_100011934356_100000755774 [0,1,0,1,0,0|1,1,0]=4 7379 B11R1.172 NC(=O)COCC1OCCO1 34a_100000087154_100000187820 [0,1,0,1,0,0|0,0,2]=4 7380 B11R1.172 O=C(O)CNCC1OCCO1 269956a_100016091260_100000755774 [0,1,0,1,0,0|1,0,1]=4 7381 B11R1.172 O=C([O-])COCC1OCCO1 34a_100000087154_100020667443 [0,1,0,1,0,0|0,0,2]=4 7382 B11R1.172 O=[N+]([O-])COCC1OCCO1 34a_100000087154_100000761209 [0,1,0,1,0,0|1,0,1]=4 7383 B11R1.176 CC(Br)COCCCC1CO1 34a_100012180447_100000733510 [0,1,0,1,0,0|2,0,0]=4 7384 B11R1.176 CC(C)COCCCC1CO1 34a_100000210257_100000733510 [0,1,0,1,0,0|2,0,0]=4 7385 B11R1.176 CC(C)COCCOC1CC1 34a_100000703358_100000211595 [0,1,0,1,0,0|2,0,0]=4 7386 B11R1.176 CC(F)COCCCC1CO1 34a_100015925927_100000733510 [0,1,0,1,0,0|2,0,0]=4 7387 B11R1.176 CC(O)CNCCCC1CO1 2230a_100000210904_100000733510 [0,1,0,1,0,0|2,0,0]=4 7388 B11R1.176 CC(O)CNCCCC1CO1 34a_100000210904_100000733510 [0,1,0,1,0,0|2,0,0]=4 7389 B11R1.176 CC(O)COCCNC1CC1 34a_100000738766_100011218427 [0,1,0,1,0,0|2,0,0]=4 7390 B11R1.176 CC(O)CSCCCC1CO1 62a_100000733510_100011218427 [0,1,0,1,0,0|1,1,0]=4 7391 B11R1.176 CC(O)CSCCCC1CO1 62a_100011218427_100000733510 [0,1,0,1,0,0|1,1,0]=4 7392 B11R1.176 C[C@@H](Cl)COCCCC1CO1 34a_100016084084_100000733510 [0,1,0,1,0,0|2,0,0]=4 7393 B11R1.176 C[C@@H](N)COCCCC1CO1 34a_100000737577_100000733510 [0,1,0,1,0,0|2,0,0]=4 7394 B11R1.176 C[C@@H](O)COCCNC1CC1 34a_100000738766_100009817552 [0,1,0,1,0,0|2,0,0]=4 7395 B11R1.176 C[C@@H](O)CSCCCC1CO1 62a_100000733510_100009817552 [0,1,0,1,0,0|1,1,0]=4 7396 B11R1.176 C[C@@H](O)CSCCCC1CO1 62a_100009817552_100000733510 [0,1,0,1,0,0|1,1,0]=4 7397 B11R1.176 FC(F)COCCCC1CO1 34a_100000743014_100000733510 [0,1,0,1,0,0|2,0,0]=4 7398 B11R1.176 FC(F)COCCOC1CC1 34a_100000704375_100000211595 [0,1,0,1,0,0|2,0,0]=4 7399 B11R1.191 CC1(COCCN1CCO)C 2230a_100000724681_100000211926 [0,1,0,1,0,0|2,0,0]=4 7400 B11R1.191 CC1(COCCN1CCO)C 269982a_100000724681_100000211926 [0,1,0,1,0,0|2,0,0]=4 7401 B11R1.191 CC1(COCCN1CCO)C 34a_100000724681_100000211926 [0,1,0,1,0,0|2,0,0]=4 7402 B11R1.233 CC1(CCCC1OCCO)C 34a_100000726220_100000211926 [0,1,0,1,0,0|2,0,0]=4 7403 B11R1.233 CC1(CCCC1OCCO)C 7a_100000726220_100000211926 [0,1,0,1,0,0|2,0,0]=4 7404 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 2230a_100015977457_100000211926 [0,1,0,1,0,0|2,0,0]=4 7405 B11R1.233 C[C@]1(CCC[C@H]1NCCO)O 34a_100015977457_100000211926 [0,1,0,1,0,0|2,0,0]=4 7406 B11R1.742 CC(O)CN1CCCOCC1 2230a_100000685342_100011218427 [0,1,0,1,0,0|2,0,0]=4 7407 B11R1.742 CC(O)CN1CCCOCC1 269982a_100000685342_100011218427 [0,1,0,1,0,0|2,0,0]=4 7408 B11R1.742 CC(O)CN1CCCOCC1 34a_100000685342_100011218427 [0,1,0,1,0,0|2,0,0]=4 7409 B11R1.742 C[C@@H](O)CN1CCCOCC1 2230a_100000685342_100009817552 [0,1,0,1,0,0|2,0,0]=4 7410 B11R1.742 C[C@@H](O)CN1CCCOCC1 269982a_100000685342_100009817552 [0,1,0,1,0,0|2,0,0]=4 7411 B11R1.742 C[C@@H](O)CN1CCCOCC1 34a_100000685342_100009817552 [0,1,0,1,0,0|2,0,0]=4 7412 B11R1.898 OCCOCCC1CC1(F)F 34a_100009864177_100000211926 [0,1,0,1,0,0|2,0,0]=4 7413 B11R1.898 OCCOCCC1CC1(F)F 7a_100009864177_100000211926 [0,1,0,1,0,0|2,0,0]=4 7414 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [0,1,0,1,0,0|2,0,0]=4 7415 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [0,1,0,1,0,0|2,0,0]=4 7416 B11R1.17 CC1CCNCC1OCCO 34a_100000696640_100000211926 [0,1,0,1,0,0|2,0,0]=4 7417 B11R1.17 CC1CNCCC1OCCO 34a_100011998114_100000211926 [0,1,0,1,0,0|2,0,0]=4 7418 B11R1.17 CC1COCCC1NCCO 270004a_100000210304_100000755695 [0,1,0,1,0,0|2,0,0]=4 7419 B11R1.17 CCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000210303 [0,1,0,1,0,0|2,0,0]=4 7420 B11R1.17 CCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210303 [0,1,0,1,0,0|2,0,0]=4 7421 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,1,0,1,0,0|2,0,0]=4 7422 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|1,0,1]=4 7423 B11R1.17 CCCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000210303 [0,1,0,1,0,0|2,0,0]=4 7424 B11R1.17 CCCO[C@H]1COCC[C@H]1N 34a_100016994285_100000210303 [0,1,0,1,0,0|2,0,0]=4 7425 B11R1.17 COCCN1CCOC[C@@H]1C 2230a_100009815349_100011201679 [0,1,0,1,0,0|2,0,0]=4 7426 B11R1.17 COCCN1CCOC[C@@H]1C 269982a_100009815349_100000233755 [0,1,0,1,0,0|2,0,0]=4 7427 B11R1.17 COCCN1CCOC[C@@H]1C 34a_100009815349_100011201679 [0,1,0,1,0,0|2,0,0]=4 7428 B11R1.17 COCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000766300 [0,1,0,1,0,0|2,0,0]=4 7429 B11R1.17 C[C@H]1COCCN1CCCO 2230a_100009815349_100000230001 [0,1,0,1,0,0|2,0,0]=4 7430 B11R1.17 C[C@H]1COCCN1CCCO 269982a_100009815349_100011215043 [0,1,0,1,0,0|2,0,0]=4 7431 B11R1.17 C[C@H]1COCCN1CCCO 34a_100009815349_100000230001 [0,1,0,1,0,0|2,0,0]=4 7432 B11R1.17 NCCOC1CCCCC1O 34a_100000210304_100000038908 [0,1,0,1,0,0|2,0,0]=4 7433 B11R1.17 NCCOC1COCCC1=O 34a_100000210304_100012180262 [0,1,0,1,0,0|1,0,1]=4 7434 B11R1.17 N[C@@H]1CCCC[C@@H]1OCCO 34a_100015191688_100000211926 [0,1,0,1,0,0|2,0,0]=4 7435 B11R1.17 N[C@@H]1CCOC[C@@H]1OCCF 34a_100016994285_100011217306 [0,1,0,1,0,0|2,0,0]=4 7436 B11R1.17 N[C@@H]1CCOC[C@@H]1OCCO 34a_100016994285_100000211926 [0,1,0,1,0,0|1,0,0]=3 7437 B11R1.17 N[C@H]1COCC[C@@H]1OCCF 34a_100015739063_100011217306 [0,1,0,1,0,0|2,0,0]=4 7438 B11R1.17 N[C@H]1COCC[C@@H]1OCCO 34a_100015739063_100000211926 [0,1,0,1,0,0|1,0,0]=3 7439 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,1,0,1,0,0|1,0,1]=4 7440 B11R1.17 O=C1CCOCC1NCCO 34a_100016990907_100012180262 [0,1,0,1,0,0|1,0,1]=4 7441 B11R1.17 O=C1CCOCC1OCCBr 34a_100000211926_100012180262 [0,1,0,1,0,0|1,0,1]=4 7442 B11R1.17 O=C1CCOCC1SCCO 62a_100000211926_100012180262 [0,1,0,1,0,0|0,1,1]=4 7443 B11R1.17 O=C1CCOCC1SCCO 62a_100012180262_100000211926 [0,1,0,1,0,0|0,1,1]=4 7444 B11R1.17 OC1CCCCC1OCCBr 34a_100000211926_100000038908 [0,1,0,1,0,0|2,0,0]=4 7445 B11R1.17 OCCNC1CCCCC1O 34a_100016990907_100000038908 [0,1,0,1,0,0|2,0,0]=4 7446 B11R1.17 OCCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000211926 [0,1,0,1,0,0|1,0,0]=3 7447 B11R1.17 OCCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000211926 [0,1,0,1,0,0|2,0,0]=4 7448 B11R1.17 OCCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000211926 [0,1,0,1,0,0|2,0,0]=4 7449 B11R1.17 OCCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000211926 [0,1,0,1,0,0|1,0,0]=3 7450 B11R1.17 OCCOC1CCCCC1Cl 34a_100000038908_100000211926 [0,1,0,1,0,0|2,0,0]=4 7451 B11R1.17 OCCOC1CCCCC1Cl 7a_100000038908_100000211926 [0,1,0,1,0,0|2,0,0]=4 7452 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211926 [0,1,0,1,0,0|2,0,0]=4 7453 B11R1.17 OCCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211926 [0,1,0,1,0,0|2,0,0]=4 7454 B11R1.17 OCCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000211926 [0,1,0,1,0,0|2,0,0]=4 7455 B11R1.17 OCCSC1CCCCC1O 62a_100000038908_100000211926 [0,1,0,1,0,0|1,1,0]=4 7456 B11R1.17 OCCSC1CCCCC1O 62a_100000211926_100000038908 [0,1,0,1,0,0|1,1,0]=4 7457 B11R1.17 O[C@H]1CCOC[C@@H]1NCCF 2230a_100015739063_100011217306 [0,1,0,1,0,0|2,0,0]=4 7458 B11R1.17 O[C@H]1COCC[C@H]1NCCF 2230a_100016994285_100011217306 [0,1,0,1,0,0|2,0,0]=4 7459 B11R1.18 COCCN1CCC[C@@H]1CO 2230a_100000745186_100011201679 [0,1,0,1,0,0|2,0,0]=4 7460 B11R1.18 COCCN1CCC[C@@H]1CO 269982a_100000745186_100000233755 [0,1,0,1,0,0|2,0,0]=4 7461 B11R1.18 COCCN1CCC[C@@H]1CO 34a_100000745186_100011201679 [0,1,0,1,0,0|2,0,0]=4 7462 B11R1.18 N#C[C@@H]1CCC[C@H]1OCCO 34a_100011907464_100000211926 [0,1,0,1,0,0|2,0,0]=4 7463 B11R1.18 N#C[C@@H]1CCC[C@H]1OCCO 7a_100011907464_100000211926 [0,1,0,1,0,0|2,0,0]=4 7464 B11R1.18 OCCCN1CCC[C@@H]1CO 2230a_100000745186_100000230001 [0,1,0,1,0,0|2,0,0]=4 7465 B11R1.18 OCCCN1CCC[C@@H]1CO 269982a_100000745186_100011215043 [0,1,0,1,0,0|2,0,0]=4 7466 B11R1.18 OCCCN1CCC[C@@H]1CO 34a_100000745186_100000230001 [0,1,0,1,0,0|2,0,0]=4 7467 B11R1.28 BrCCCOC1CCCOC1 34a_100011217188_100000693364 [0,1,0,1,0,0|2,0,0]=4 7468 B11R1.28 BrCCOCC1CCCCO1 34a_100000211926_100000211543 [0,1,0,1,0,0|2,0,0]=4 7469 B11R1.28 BrCCOCC1CCCOC1 34a_100000211926_100000741521 [0,1,0,1,0,0|2,0,0]=4 7470 B11R1.28 C#CCCOC1CCCCO1 34a_100000033831_100000688953 [0,1,0,1,0,0|2,0,0]=4 7471 B11R1.28 C#CCCOC1CCCOC1 34a_100000754041_100000688953 [0,1,0,1,0,0|2,0,0]=4 7472 B11R1.28 C#CCCOC1CCCOC1 34a_100011215631_100000693364 [0,1,0,1,0,0|2,0,0]=4 7473 B11R1.28 C#CCOC[C@H]1COCCO1 34a_100009875890_100000184674 [0,1,0,1,0,0|1,0,1]=4 7474 B11R1.28 C=CCCOC1CCCCO1 34a_100000033831_100000754431 [0,1,0,1,0,0|2,0,0]=4 7475 B11R1.28 C=CCCOC1CCCOC1 34a_100000754041_100000754431 [0,1,0,1,0,0|2,0,0]=4 7476 B11R1.28 C=CCCOC1CCCOC1 34a_100011205117_100000693364 [0,1,0,1,0,0|2,0,0]=4 7477 B11R1.28 C=CCOC[C@H]1COCCO1 34a_100009875890_100015514636 [0,1,0,1,0,0|1,0,1]=4 7478 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,1,0,1,0,0|2,0,0]=4 7479 B11R1.28 CCCCOC1CCCOC1 34a_100000210227_100000693364 [0,1,0,1,0,0|2,0,0]=4 7480 B11R1.28 CCCCOC1CCCOC1 34a_100000754041_100000210210 [0,1,0,1,0,0|2,0,0]=4 7481 B11R1.28 CCCCOC1CCCOC1 7a_100000210227_100000693364 [0,1,0,1,0,0|2,0,0]=4 7482 B11R1.28 CCCNC[C@H]1COCCO1 2230a_100010981119_100000210303 [0,1,0,1,0,0|2,0,0]=4 7483 B11R1.28 CCCNC[C@H]1COCCO1 34a_100010981119_100000210303 [0,1,0,1,0,0|2,0,0]=4 7484 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,1,0,1,0,0|2,0,0]=4 7485 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,1,0,1,0,0|2,0,0]=4 7486 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,1,0,1,0,0|2,0,0]=4 7487 B11R1.28 CCCOCC1CCCOC1 34a_100000210258_100000741521 [0,1,0,1,0,0|2,0,0]=4 7488 B11R1.28 CCCOCC1CCCOC1 34a_100000741520_100000210303 [0,1,0,1,0,0|2,0,0]=4 7489 B11R1.28 CCCOC[C@@H]1CNCCO1 34a_100015189573_100000210303 [0,1,0,1,0,0|2,0,0]=4 7490 B11R1.28 CCCOC[C@@H]1COCCN1 34a_100000717676_100000210303 [0,1,0,1,0,0|2,0,0]=4 7491 B11R1.28 CCCOC[C@H]1COCCO1 34a_100009875890_100000210303 [0,1,0,1,0,0|1,0,0]=3 7492 B11R1.28 CNCCOC1CCCCO1 2230a_106832991635_100000744793 [0,1,0,1,0,0|2,0,0]=4 7493 B11R1.28 CNCCOC1CCCCO1 34a_100102657272_100000744793 [0,1,0,1,0,0|2,0,0]=4 7494 B11R1.28 CNCCOC1CCCCO1 7a_106832991635_100000744793 [0,1,0,1,0,0|2,0,0]=4 7495 B11R1.28 COCCNC1CCCOC1 2230a_100000719290_100011201679 [0,1,0,1,0,0|2,0,0]=4 7496 B11R1.28 COCCNC1CCCOC1 270004a_100000209980_100000753404 [0,1,0,1,0,0|2,0,0]=4 7497 B11R1.28 COCCNC1CCCOC1 34a_100000719290_100011201679 [0,1,0,1,0,0|2,0,0]=4 7498 B11R1.28 COCCOC1CCCCC1 34a_100000210231_100011201679 [0,1,0,1,0,0|2,0,0]=4 7499 B11R1.28 COCCOC1CCCCC1 34a_100000210237_100000210327 [0,1,0,1,0,0|2,0,0]=4 7500 B11R1.28 COCCOC1CCCCC1 34a_100011249652_200000210301 [0,1,0,1,0,0|2,0,0]=4 7501 B11R1.28 COCCOC1CCCCC1 34a_100138415774_100011211530 [0,1,0,1,0,0|2,0,0]=4 7502 B11R1.28 COCCOC1CCCCC1 7a_100000210231_100000233755 [0,1,0,1,0,0|2,0,0]=4 7503 B11R1.28 COCCOC1CCCCC1 7a_100011249652_200000210301 [0,1,0,1,0,0|2,0,0]=4 7504 B11R1.28 COCCOC1CCCCO1 34a_100000033831_100011201679 [0,1,0,1,0,0|1,0,0]=3 7505 B11R1.28 COCCOC1CCCCO1 34a_100000034223_200000210301 [0,1,0,1,0,0|1,0,0]=3 7506 B11R1.28 COCCOC1CCCCO1 34a_100138415774_100000744793 [0,1,0,1,0,0|1,0,0]=3 7507 B11R1.28 COCCOC1CCCCO1 7a_100000034223_200000210301 [0,1,0,1,0,0|1,0,0]=3 7508 B11R1.28 COCCOC1CCCOC1 34a_100000210237_100000693364 [0,1,0,1,0,0|1,0,0]=3 7509 B11R1.28 COCCOC1CCCOC1 34a_100000754041_100011201679 [0,1,0,1,0,0|1,0,0]=3 7510 B11R1.28 COCCOC1CCCSC1 7a_100015962668_100000233755 [0,1,0,1,0,0|1,1,0]=4 7511 B11R1.28 COCCSC1CCCOC1 62a_100000233755_100000693364 [0,1,0,1,0,0|1,1,0]=4 7512 B11R1.28 COCNC[C@H]1COCCO1 2230a_100010981119_100000766300 [0,1,0,1,0,0|2,0,0]=4 7513 B11R1.28 CSCCOC1CCCCO1 34a_100000033831_100000212216 [0,1,0,1,0,0|1,1,0]=4 7514 B11R1.28 CSCCOC1CCCCO1 62a_100000744793_200000210301 [0,1,0,1,0,0|1,1,0]=4 7515 B11R1.28 CSCCOC1CCCCO1 62a_200000210301_100000744793 [0,1,0,1,0,0|1,1,0]=4 7516 B11R1.28 CSCCOC1CCCOC1 34a_100000230434_100000693364 [0,1,0,1,0,0|1,1,0]=4 7517 B11R1.28 CSCCOC1CCCOC1 34a_100000754041_100000212216 [0,1,0,1,0,0|1,1,0]=4 7518 B11R1.28 CSCCOC1CCCOC1 7a_100000230434_100000693364 [0,1,0,1,0,0|1,1,0]=4 7519 B11R1.28 CSCOC[C@H]1COCCO1 34a_100009875890_100011218213 [0,1,0,1,0,0|2,0,0]=4 7520 B11R1.28 ClCCCOC1CCCOC1 34a_100000230001_100000693364 [0,1,0,1,0,0|2,0,0]=4 7521 B11R1.28 FCCCOC1CCCCO1 34a_100000033831_100011934791 [0,1,0,1,0,0|2,0,0]=4 7522 B11R1.28 FCCCOC1CCCOC1 34a_100000754041_100011934791 [0,1,0,1,0,0|2,0,0]=4 7523 B11R1.28 FCCCOC1CCCOC1 34a_100000759539_100000693364 [0,1,0,1,0,0|2,0,0]=4 7524 B11R1.28 FCCNC[C@H]1COCCO1 2230a_100010981119_100011217306 [0,1,0,1,0,0|2,0,0]=4 7525 B11R1.28 FCCNC[C@H]1COCCO1 34a_100010981119_100011217306 [0,1,0,1,0,0|2,0,0]=4 7526 B11R1.28 FCCOCC1CCCCO1 34a_100000211370_100011217306 [0,1,0,1,0,0|2,0,0]=4 7527 B11R1.28 FCCOCC1CCCCO1 7a_100000211370_100011217306 [0,1,0,1,0,0|2,0,0]=4 7528 B11R1.28 FCCOCC1CCCOC1 34a_100000741520_100011217306 [0,1,0,1,0,0|2,0,0]=4 7529 B11R1.28 FCCOC[C@@H]1CNCCO1 34a_100015189573_100011217306 [0,1,0,1,0,0|2,0,0]=4 7530 B11R1.28 FCCOC[C@@H]1COCCN1 34a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 7531 B11R1.28 FCCOC[C@H]1COCCO1 34a_100009875890_100011217306 [0,1,0,1,0,0|1,0,0]=3 7532 B11R1.28 NCCCOC1CCCOC1 34a_100000182051_100000693364 [0,1,0,1,0,0|2,0,0]=4 7533 B11R1.28 NCCOCC1CCCCO1 34a_100000210304_100000211543 [0,1,0,1,0,0|2,0,0]=4 7534 B11R1.28 NCCOCC1CCCOC1 34a_100000210304_100000741521 [0,1,0,1,0,0|2,0,0]=4 7535 B11R1.28 NOCCOC1CCCCC1 34a_100000700252_100000210327 [0,1,0,1,0,0|2,0,0]=4 7536 B11R1.28 NOCCOC1CCCOC1 34a_100000700252_100000693364 [0,1,0,1,0,0|1,0,0]=3 7537 B11R1.28 O=CCOC[C@H]1COCCO1 34a_100009875890_200009817547 [0,1,0,1,0,0|0,0,2]=4 7538 B11R1.28 OCCCCN1CCCOC1 2230a_100000131196_100000210776 [0,1,0,1,0,0|2,0,0]=4 7539 B11R1.28 OCCCCN1CCCOC1 269982a_100000131196_100000210776 [0,1,0,1,0,0|2,0,0]=4 7540 B11R1.28 OCCCCN1CCCOC1 34a_100000131196_100011216708 [0,1,0,1,0,0|2,0,0]=4 7541 B11R1.28 OCCCNC1CCCOC1 2230a_100000719290_100000230001 [0,1,0,1,0,0|2,0,0]=4 7542 B11R1.28 OCCCNC1CCCOC1 270004a_100000182051_100000753404 [0,1,0,1,0,0|2,0,0]=4 7543 B11R1.28 OCCCNC1CCCOC1 34a_100000719290_100000230001 [0,1,0,1,0,0|2,0,0]=4 7544 B11R1.28 OCCCOC1CCCCC1 34a_100000210231_100000230001 [0,1,0,1,0,0|2,0,0]=4 7545 B11R1.28 OCCCOC1CCCCC1 7a_100000210231_100011215043 [0,1,0,1,0,0|2,0,0]=4 7546 B11R1.28 OCCCOC1CCCCO1 34a_100000033831_100000230001 [0,1,0,1,0,0|1,0,0]=3 7547 B11R1.28 OCCCOC1CCCOC1 34a_100000754041_100000230001 [0,1,0,1,0,0|1,0,0]=3 7548 B11R1.28 OCCCOC1CCCSC1 7a_100015962668_100011215043 [0,1,0,1,0,0|1,1,0]=4 7549 B11R1.28 OCCCSC1CCCOC1 62a_100011215043_100000693364 [0,1,0,1,0,0|1,1,0]=4 7550 B11R1.28 OCCNCC1CCCCO1 2230a_100000174945_100000211926 [0,1,0,1,0,0|2,0,0]=4 7551 B11R1.28 OCCNCC1CCCCO1 2230a_100016997473_100000211543 [0,1,0,1,0,0|2,0,0]=4 7552 B11R1.28 OCCNCC1CCCCO1 34a_100000174945_100000211926 [0,1,0,1,0,0|2,0,0]=4 7553 B11R1.28 OCCNCC1CCCCO1 34a_100016990907_100000211543 [0,1,0,1,0,0|2,0,0]=4 7554 B11R1.28 OCCNCC1CCCOC1 2230a_100000720124_100000211926 [0,1,0,1,0,0|2,0,0]=4 7555 B11R1.28 OCCNCC1CCCOC1 2230a_100016997473_100000741521 [0,1,0,1,0,0|2,0,0]=4 7556 B11R1.28 OCCNCC1CCCOC1 34a_100000720124_100000211926 [0,1,0,1,0,0|2,0,0]=4 7557 B11R1.28 OCCNCC1CCCOC1 34a_100016990907_100000741521 [0,1,0,1,0,0|2,0,0]=4 7558 B11R1.28 OCCNC[C@H]1COCCO1 2230a_100010981119_100000211926 [0,1,0,1,0,0|1,0,0]=3 7559 B11R1.28 OCCNC[C@H]1COCCO1 34a_100010981119_100000211926 [0,1,0,1,0,0|1,0,0]=3 7560 B11R1.28 OCCOCC1CCC=CO1 34a_100011217868_100000211926 [0,1,0,1,0,0|1,0,1]=4 7561 B11R1.28 OCCOCC1CCCCC1 34a_100000212181_100000211926 [0,1,0,1,0,0|2,0,0]=4 7562 B11R1.28 OCCOCC1CCCCC1 7a_100000212181_100000211926 [0,1,0,1,0,0|2,0,0]=4 7563 B11R1.28 OCCOCC1CCCCN1 34a_100000210821_100000211926 [0,1,0,1,0,0|2,0,0]=4 7564 B11R1.28 OCCOCC1CCCCO1 34a_100000211370_100000211926 [0,1,0,1,0,0|1,0,0]=3 7565 B11R1.28 OCCOCC1CCCCO1 7a_100000211370_100000211926 [0,1,0,1,0,0|1,0,0]=3 7566 B11R1.28 OCCOCC1CCCNC1 34a_100000211344_100000211926 [0,1,0,1,0,0|2,0,0]=4 7567 B11R1.28 OCCOCC1CCCOC1 34a_100000741520_100000211926 [0,1,0,1,0,0|1,0,0]=3 7568 B11R1.28 OCCOCC1CCNCC1 34a_100000738675_100000211926 [0,1,0,1,0,0|2,0,0]=4 7569 B11R1.28 OCCOCC1CCOCC1 34a_100000749013_100000211926 [0,1,0,1,0,0|2,0,0]=4 7570 B11R1.28 OCCOCC1CCSCC1 34a_100000070558_100000211926 [0,1,0,1,0,0|2,0,0]=4 7571 B11R1.28 OCCOCC1CCSCC1 7a_100000070558_100000211926 [0,1,0,1,0,0|2,0,0]=4 7572 B11R1.28 OCCOC[C@@H]1CNCCO1 34a_100015189573_100000211926 [0,1,0,1,0,0|1,0,0]=3 7573 B11R1.28 OCCOC[C@@H]1COCCN1 34a_100000717676_100000211926 [0,1,0,1,0,0|1,0,0]=3 7574 B11R1.28 OCCOC[C@H]1COCCO1 34a_100009875890_100000211926 [0,1,0,1,0,0|0,0,0]=2 7575 B11R1.28 OCCSCC1CCCCO1 62a_100000211543_100000211926 [0,1,0,1,0,0|1,1,0]=4 7576 B11R1.28 OCCSCC1CCCCO1 62a_100000211926_100000211543 [0,1,0,1,0,0|1,1,0]=4 7577 B11R1.28 OCCSCC1CCCOC1 62a_100000211926_100000741521 [0,1,0,1,0,0|1,1,0]=4 7578 B11R1.28 OCCSCC1CCCOC1 62a_100000741521_100000211926 [0,1,0,1,0,0|1,1,0]=4 7579 B11R1.28 [13CH3]OCCOC1CCCCC1 34a_100011249652_200025704644 [0,1,0,1,0,0|2,0,0]=4 7580 B11R1.28 [13CH3]OCCOC1CCCCC1 7a_100011249652_200025704644 [0,1,0,1,0,0|2,0,0]=4 7581 B11R1.28 [13CH3]OCCOC1CCCCO1 34a_100000034223_200025704644 [0,1,0,1,0,0|1,0,0]=3 7582 B11R1.28 [13CH3]OCCOC1CCCCO1 7a_100000034223_200025704644 [0,1,0,1,0,0|1,0,0]=3 7583 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_100000744793_200025704644 [0,1,0,1,0,0|1,1,0]=4 7584 B11R1.28 [13CH3]SCCOC1CCCCO1 62a_200025704644_100000744793 [0,1,0,1,0,0|1,1,0]=4 7585 B11R1.41 CCCN1CCOC[C@H]1CO 2230a_100000717676_100000210303 [0,1,0,1,0,0|2,0,0]=4 7586 B11R1.41 CCCN1CCOC[C@H]1CO 269982a_100000717676_100000210303 [0,1,0,1,0,0|2,0,0]=4 7587 B11R1.41 CCCN1CCOC[C@H]1CO 34a_100000717676_100000210303 [0,1,0,1,0,0|2,0,0]=4 7588 B11R1.41 CC[C@H]1COCCN1CCO 2230a_100016988097_100000211926 [0,1,0,1,0,0|2,0,0]=4 7589 B11R1.41 CC[C@H]1COCCN1CCO 269982a_100016988097_100000211926 [0,1,0,1,0,0|2,0,0]=4 7590 B11R1.41 CC[C@H]1COCCN1CCO 34a_100016988097_100000211926 [0,1,0,1,0,0|2,0,0]=4 7591 B11R1.41 OCCN1CCCCC1CO 2230a_100000210821_100000211926 [0,1,0,1,0,0|2,0,0]=4 7592 B11R1.41 OCCN1CCCCC1CO 269982a_100000210821_100000211926 [0,1,0,1,0,0|2,0,0]=4 7593 B11R1.41 OCCN1CCCCC1CO 34a_100000210821_100000211926 [0,1,0,1,0,0|2,0,0]=4 7594 B11R1.41 OCCN1CCOC[C@H]1CO 2230a_100000717676_100000211926 [0,1,0,1,0,0|1,0,0]=3 7595 B11R1.41 OCCN1CCOC[C@H]1CO 269982a_100000717676_100000211926 [0,1,0,1,0,0|1,0,0]=3 7596 B11R1.41 OCCN1CCOC[C@H]1CO 34a_100000717676_100000211926 [0,1,0,1,0,0|1,0,0]=3 7597 B11R1.41 OC[C@@H]1COCCN1CCF 2230a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 7598 B11R1.41 OC[C@@H]1COCCN1CCF 269982a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 7599 B11R1.41 OC[C@@H]1COCCN1CCF 34a_100000717676_100011217306 [0,1,0,1,0,0|2,0,0]=4 7600 B11R1.47 BrCCCCCOC1COC1 34a_100000746331_100009818527 [0,1,0,1,0,0|2,0,0]=4 7601 B11R1.47 BrCCCCCOC1COC1 7a_100000746331_100009818527 [0,1,0,1,0,0|2,0,0]=4 7602 B11R1.47 BrCCOCCOC1CCC1 34a_100000692535_100000749161 [0,1,0,1,0,0|2,0,0]=4 7603 B11R1.47 BrCCOCCOC1COC1 34a_100000692535_100009818527 [0,1,0,1,0,0|1,0,0]=3 7604 B11R1.47 BrCCOCCOC1COC1 7a_100000692535_100009818527 [0,1,0,1,0,0|1,0,0]=3 7605 B11R1.47 C#CCOCCOC1COC1 34a_100000054580_100009818527 [0,1,0,1,0,0|1,0,1]=4 7606 B11R1.47 C#CCOCCOC1COC1 7a_100000054580_100009818527 [0,1,0,1,0,0|1,0,1]=4 7607 B11R1.47 C=CCOCCOC1COC1 34a_100000037705_100009818527 [0,1,0,1,0,0|1,0,1]=4 7608 B11R1.47 C=CCOCCOC1COC1 7a_100000037705_100009818527 [0,1,0,1,0,0|1,0,1]=4 7609 B11R1.47 CCCCCCOC1COC1 34a_100000210259_100009818527 [0,1,0,1,0,0|2,0,0]=4 7610 B11R1.47 CCCCCCOC1COC1 7a_100000210259_100009818527 [0,1,0,1,0,0|2,0,0]=4 7611 B11R1.47 CCCOCCNC1COC1 2230a_100016991112_100011215938 [0,1,0,1,0,0|2,0,0]=4 7612 B11R1.47 CCCOCCNC1COC1 34a_100161115042_100009818527 [0,1,0,1,0,0|2,0,0]=4 7613 B11R1.47 CCCOCCOC1CCC1 34a_100000748187_100011215938 [0,1,0,1,0,0|2,0,0]=4 7614 B11R1.47 CCCOCCOC1CCC1 34a_100000752267_100000749161 [0,1,0,1,0,0|2,0,0]=4 7615 B11R1.47 CCCOCCOC1COC1 34a_100000752267_100009818527 [0,1,0,1,0,0|1,0,0]=3 7616 B11R1.47 CCCOCCOC1COC1 7a_100000752267_100009818527 [0,1,0,1,0,0|1,0,0]=3 7617 B11R1.47 CCCOCCOC1CSC1 7a_100000072292_100011215938 [0,1,0,1,0,0|1,1,0]=4 7618 B11R1.47 CCCOCCSC1COC1 62a_100011215938_100009818527 [0,1,0,1,0,0|1,1,0]=4 7619 B11R1.47 CCCSCCOC1COC1 34a_200000230433_100009818527 [0,1,0,1,0,0|1,1,0]=4 7620 B11R1.47 CCCSCCOC1COC1 7a_200000230433_100009818527 [0,1,0,1,0,0|1,1,0]=4 7621 B11R1.47 COCCOCCN1CCC1 269982a_100000754969_100000695917 [0,1,0,1,0,0|2,0,0]=4 7622 B11R1.47 ClCCCCCOC1COC1 34a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 7623 B11R1.47 ClCCCCCOC1COC1 7a_100000746330_100009818527 [0,1,0,1,0,0|2,0,0]=4 7624 B11R1.47 ClCCOCCOC1CCC1 34a_100011215305_100000749161 [0,1,0,1,0,0|2,0,0]=4 7625 B11R1.47 ClCCOCCOC1COC1 34a_100011215305_100009818527 [0,1,0,1,0,0|1,0,0]=3 7626 B11R1.47 ClCCOCCOC1COC1 7a_100011215305_100009818527 [0,1,0,1,0,0|1,0,0]=3 7627 B11R1.47 FCCOCCOC1CCC1 34a_200015357709_100000749161 [0,1,0,1,0,0|2,0,0]=4 7628 B11R1.47 FCCOCCOC1COC1 34a_200015357709_100009818527 [0,1,0,1,0,0|1,0,0]=3 7629 B11R1.47 FCCOCCOC1COC1 7a_200015357709_100009818527 [0,1,0,1,0,0|1,0,0]=3 7630 B11R1.47 ICCCCCOC1COC1 34a_200012148887_100009818527 [0,1,0,1,0,0|2,0,0]=4 7631 B11R1.47 ICCCCCOC1COC1 7a_200012148887_100009818527 [0,1,0,1,0,0|2,0,0]=4 7632 B11R1.47 ICCOCCOC1CCC1 34a_100012149058_100000749161 [0,1,0,1,0,0|2,0,0]=4 7633 B11R1.47 ICCOCCOC1COC1 34a_100012149058_100009818527 [0,1,0,1,0,0|1,0,0]=3 7634 B11R1.47 ICCOCCOC1COC1 7a_100012149058_100009818527 [0,1,0,1,0,0|1,0,0]=3 7635 B11R1.47 NCCCCCOC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|2,0,0]=4 7636 B11R1.47 NCCOCCOC1CCC1 34a_100000211614_100000749161 [0,1,0,1,0,0|2,0,0]=4 7637 B11R1.47 NCCOCCOC1COC1 34a_100000211614_100009818527 [0,1,0,1,0,0|1,0,0]=3 7638 B11R1.47 OCCCCCNC1COC1 2230a_100016991112_100000746330 [0,1,0,1,0,0|2,0,0]=4 7639 B11R1.47 OCCCCCNC1COC1 34a_100000762737_100009818527 [0,1,0,1,0,0|2,0,0]=4 7640 B11R1.47 OCCCCCOC1CCC1 34a_100000748187_100000746330 [0,1,0,1,0,0|2,0,0]=4 7641 B11R1.47 OCCCCCOC1CSC1 7a_100000072292_100000746330 [0,1,0,1,0,0|1,1,0]=4 7642 B11R1.47 OCCCCCSC1COC1 62a_100000746330_100009818527 [0,1,0,1,0,0|1,1,0]=4 7643 B11R1.47 OCCCCNCC1CCO1 2230a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 7644 B11R1.47 OCCCCNCC1CCO1 34a_100000750430_100000103362 [0,1,0,1,0,0|2,0,0]=4 7645 B11R1.47 OCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210776 [0,1,0,1,0,0|2,0,0]=4 7646 B11R1.47 OCCCCNC[C@@H]1CCO1 34a_100020831831_100011216708 [0,1,0,1,0,0|2,0,0]=4 7647 B11R1.47 OCCCCOCC1CCO1 34a_100000039022_100011216708 [0,1,0,1,0,0|2,0,0]=4 7648 B11R1.47 OCCCCSCC1CCO1 62a_100000103362_100000210776 [0,1,0,1,0,0|2,0,0]=4 7649 B11R1.47 OCCCCSCC1CCO1 62a_100000210776_100000103362 [0,1,0,1,0,0|2,0,0]=4 7650 B11R1.47 OCCOCCNC1CCC1 2230a_100000749019_100011215305 [0,1,0,1,0,0|2,0,0]=4 7651 B11R1.47 OCCOCCNC1CCC1 270004a_100000211614_100000241760 [0,1,0,1,0,0|2,0,0]=4 7652 B11R1.47 OCCOCCNC1CCC1 34a_100000211614_100000749161 [0,1,0,1,0,0|2,0,0]=4 7653 B11R1.47 OCCOCCNC1CCC1 34a_100000749019_100000692535 [0,1,0,1,0,0|2,0,0]=4 7654 B11R1.47 OCCOCCNC1COC1 2230a_100016991112_100011215305 [0,1,0,1,0,0|1,0,0]=3 7655 B11R1.47 OCCOCCNC1COC1 34a_100000211614_100009818527 [0,1,0,1,0,0|1,0,0]=3 7656 B11R1.47 OCCOCCOC1CCC1 34a_100000748187_100000692535 [0,1,0,1,0,0|1,0,0]=3 7657 B11R1.47 OCCOCCOC1CSC1 7a_100000072292_100011215305 [0,1,0,1,0,0|0,1,0]=3 7658 B11R1.47 OCCOCCSC1CCC1 62a_100011215305_100000749161 [0,1,0,1,0,0|1,1,0]=4 7659 B11R1.47 OCCOCCSC1COC1 62a_100011215305_100009818527 [0,1,0,1,0,0|0,1,0]=3 7660 B11R1.109 COC[C@@H]1CCCN1CCO 2230a_100020646714_100000211926 [0,1,0,1,0,0|2,0,0]=4 7661 B11R1.109 COC[C@@H]1CCCN1CCO 269982a_100020646714_100000211926 [0,1,0,1,0,0|2,0,0]=4 7662 B11R1.109 COC[C@@H]1CCCN1CCO 34a_100020646714_100000211926 [0,1,0,1,0,0|2,0,0]=4 7663 B11R1.190 CC1CCN1CCOCCO 269982a_100000755817_100011215305 [0,1,0,1,0,0|2,0,0]=4 7664 B11R1.190 CC1CCN1CCOCCO 34a_100000755817_100000692535 [0,1,0,1,0,0|2,0,0]=4 7665 B11R1.203 COCCN1CCCOCC1 2230a_100000685342_100011201679 [0,1,0,1,0,0|2,0,0]=4 7666 B11R1.203 COCCN1CCCOCC1 269982a_100000685342_100000233755 [0,1,0,1,0,0|2,0,0]=4 7667 B11R1.203 COCCN1CCCOCC1 34a_100000685342_100011201679 [0,1,0,1,0,0|2,0,0]=4 7668 B11R1.203 OCCCN1CCCOCC1 2230a_100000685342_100000230001 [0,1,0,1,0,0|2,0,0]=4 7669 B11R1.203 OCCCN1CCCOCC1 269982a_100000685342_100011215043 [0,1,0,1,0,0|2,0,0]=4 7670 B11R1.203 OCCCN1CCCOCC1 34a_100000685342_100000230001 [0,1,0,1,0,0|2,0,0]=4 7671 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,1,0,1,0,0|2,0,0]=4 7672 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,1,0,1,0,0|2,0,0]=4 7673 B11R1.1 CC1CCC(CC1)OCCO 34a_100000210714_100000211926 [0,1,0,1,0,0|2,0,0]=4 7674 B11R1.1 CC1CCC(CC1)OCCO 7a_100000210714_100000211926 [0,1,0,1,0,0|2,0,0]=4 7675 B11R1.1 N[C@H]1CC[C@H](CC1)OCCO 34a_100020628982_100000211926 [0,1,0,1,0,0|2,0,0]=4 7676 B11R1.25 C#CC(C)OCC1OCCO1 34a_100000087154_200000035995 [0,1,0,1,0,0|1,0,1]=4 7677 B11R1.25 C#C[C@@H](C)OCC1OCCO1 34a_100009815206_100000755774 [0,1,0,1,0,0|1,0,1]=4 7678 B11R1.25 C#C[C@@H](C)OCC1OCCO1 7a_100009815206_100000755774 [0,1,0,1,0,0|1,0,1]=4 7679 B11R1.25 C=CC(C)OCC1OCCO1 34a_100000695699_100000755774 [0,1,0,1,0,0|1,0,1]=4 7680 B11R1.25 CC(C#N)OCC1OCCO1 34a_100011218135_100000755774 [0,1,0,1,0,0|1,0,1]=4 7681 B11R1.25 CC(CF)OCC1CCCO1 7a_100016041109_100000203698 [0,1,0,1,0,0|2,0,0]=4 7682 B11R1.25 CC(CF)OCC1OCCO1 34a_100016041109_100000755774 [0,1,0,1,0,0|1,0,0]=3 7683 B11R1.25 CC(CF)OCC1OCCO1 7a_100016041109_100000755774 [0,1,0,1,0,0|1,0,0]=3 7684 B11R1.25 CC(CN)OCC1OCCO1 34a_100000210904_100000755774 [0,1,0,1,0,0|1,0,0]=3 7685 B11R1.25 CC(CO)NCC1OCCO1 2230a_100000036311_100012180447 [0,1,0,1,0,0|1,0,0]=3 7686 B11R1.25 CC(CO)NCC1OCCO1 34a_100000036311_100012180447 [0,1,0,1,0,0|1,0,0]=3 7687 B11R1.25 CC(CO)NC[C@@H]1CCCO1 2230a_100020590478_100012180447 [0,1,0,1,0,0|2,0,0]=4 7688 B11R1.25 CC(CO)NC[C@@H]1CCCO1 34a_100020590478_100012180447 [0,1,0,1,0,0|2,0,0]=4 7689 B11R1.25 CC(CO)OCC1CCCC1 34a_100000742336_100012180447 [0,1,0,1,0,0|2,0,0]=4 7690 B11R1.25 CC(CO)OCC1CCCC1 7a_100000742336_100012180447 [0,1,0,1,0,0|2,0,0]=4 7691 B11R1.25 CC(CO)OCC1CCCO1 34a_100000210270_100012180447 [0,1,0,1,0,0|1,0,0]=3 7692 B11R1.25 CC(CO)OCC1CCCO1 7a_100000210270_100012180447 [0,1,0,1,0,0|1,0,0]=3 7693 B11R1.25 CC(CO)OCC1COCO1 34a_100011216627_100012180447 [0,1,0,1,0,0|2,0,0]=4 7694 B11R1.25 CC(CO)OCC1OCCO1 34a_100000087154_100012180447 [0,1,0,1,0,0|0,0,0]=2 7695 B11R1.25 CC(CO)OC[C@H]1CCCN1 34a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 7696 B11R1.25 CC(CO)SCC1CCCO1 62a_100012180447_100000203698 [0,1,0,1,0,0|1,1,0]=4 7697 B11R1.25 CC(CO)SCC1OCCO1 62a_100012180447_100000755774 [0,1,0,1,0,0|0,1,0]=3 7698 B11R1.25 CCC(C)NCC1OCCO1 2230a_100000036311_100000758301 [0,1,0,1,0,0|2,0,0]=4 7699 B11R1.25 CCC(C)NCC1OCCO1 2230a_100000209981_100000755774 [0,1,0,1,0,0|2,0,0]=4 7700 B11R1.25 CCC(C)NCC1OCCO1 34a_100000036311_100011215416 [0,1,0,1,0,0|2,0,0]=4 7701 B11R1.25 CCC(C)OCC1CCCO1 34a_100000210270_100011215416 [0,1,0,1,0,0|2,0,0]=4 7702 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210228_100000203698 [0,1,0,1,0,0|2,0,0]=4 7703 B11R1.25 CCC(C)OCC1CCCO1 7a_100000210270_100000758301 [0,1,0,1,0,0|2,0,0]=4 7704 B11R1.25 CCC(C)OCC1OCCO1 34a_100000087154_100011215416 [0,1,0,1,0,0|1,0,0]=3 7705 B11R1.25 CCC(C)OCC1OCCO1 7a_100000210228_100000755774 [0,1,0,1,0,0|1,0,0]=3 7706 B11R1.25 CCC(C)SCC1OCCO1 62a_100000755774_100000758301 [0,1,0,1,0,0|1,1,0]=4 7707 B11R1.25 CCC(C)SCC1OCCO1 62a_100000758301_100000755774 [0,1,0,1,0,0|1,1,0]=4 7708 B11R1.25 C[C@H](CO)NCC1CCCO1 2230a_100000737577_100000203698 [0,1,0,1,0,0|2,0,0]=4 7709 B11R1.25 C[C@H](CO)NCC1OCCO1 2230a_100000737577_100000755774 [0,1,0,1,0,0|1,0,0]=3 7710 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100000203698_100016084084 [0,1,0,1,0,0|1,1,0]=4 7711 B11R1.25 C[C@H](CO)SCC1CCCO1 62a_100016084084_100000203698 [0,1,0,1,0,0|1,1,0]=4 7712 B11R1.25 C[C@H](CO)SCC1OCCO1 62a_100000755774_100016084084 [0,1,0,1,0,0|0,1,0]=3 7713 B11R1.25 C[C@H](CO)SCC1OCCO1 62a_100016084084_100000755774 [0,1,0,1,0,0|0,1,0]=3 7714 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,1,0,1,0,0|1,0,1]=4 7715 B11R1.25 O=C(CO)NCC1OCCO1 527a_100000036311_100000210174 [0,1,0,1,0,0|1,0,1]=4 7716 B11R1.40 CC(CF)OC1CCCOC1 34a_100016041109_100000693364 [0,1,0,1,0,0|2,0,0]=4 7717 B11R1.40 CC(CF)OC1CCCOC1 7a_100016041109_100000693364 [0,1,0,1,0,0|2,0,0]=4 7718 B11R1.40 CC(CN)OC1CCCOC1 34a_100000210904_100000693364 [0,1,0,1,0,0|2,0,0]=4 7719 B11R1.40 CC(CO)NC1CCCOC1 2230a_100000719290_100012180447 [0,1,0,1,0,0|2,0,0]=4 7720 B11R1.40 CC(CO)NC1CCCOC1 34a_100000719290_100012180447 [0,1,0,1,0,0|2,0,0]=4 7721 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [0,1,0,1,0,0|2,0,0]=4 7722 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [0,1,0,1,0,0|2,0,0]=4 7723 B11R1.40 CC(CO)OC1CCCCO1 34a_100000033831_100012180447 [0,1,0,1,0,0|1,0,0]=3 7724 B11R1.40 CC(CO)OC1CCCOC1 34a_100000754041_100012180447 [0,1,0,1,0,0|1,0,0]=3 7725 B11R1.40 CC(CO)OC1CCCSC1 7a_100015962668_100012180447 [0,1,0,1,0,0|1,1,0]=4 7726 B11R1.40 CC(CO)SC1CCCOC1 62a_100012180447_100000693364 [0,1,0,1,0,0|1,1,0]=4 7727 B11R1.40 CCC(C)OC1CCCCO1 34a_100000033831_100011215416 [0,1,0,1,0,0|2,0,0]=4 7728 B11R1.40 CCC(C)OC1CCCOC1 34a_100000754041_100011215416 [0,1,0,1,0,0|2,0,0]=4 7729 B11R1.40 CCC(C)OC1CCCOC1 7a_100000210228_100000693364 [0,1,0,1,0,0|2,0,0]=4 7730 B11R1.40 C[C@H](CO)NC1CCCOC1 270004a_100000737577_100000753404 [0,1,0,1,0,0|2,0,0]=4 7731 B11R1.40 C[C@H](CO)SC1CCCOC1 62a_100016084084_100000693364 [0,1,0,1,0,0|1,1,0]=4 7732 B11R1.59 CC(CO)N1CCC[C@@H]1CO 2230a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 7733 B11R1.59 CC(CO)N1CCC[C@@H]1CO 34a_100000745186_100012180447 [0,1,0,1,0,0|2,0,0]=4 7734 B11R1.59 C[C@H](CO)N1CCC[C@@H]1CO 269982a_100000745186_100016084084 [0,1,0,1,0,0|2,0,0]=4 7735 B11R1.194 C[C@]1(CCCN1CCO)CO 2230a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 7736 B11R1.194 C[C@]1(CCCN1CCO)CO 269982a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 7737 B11R1.194 C[C@]1(CCCN1CCO)CO 34a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 7738 B11R1.222 CC(CO)N1CCOC[C@@H]1C 2230a_100009815349_100012180447 [0,1,0,1,0,0|2,0,0]=4 7739 B11R1.222 CC(CO)N1CCOC[C@@H]1C 34a_100009815349_100012180447 [0,1,0,1,0,0|2,0,0]=4 7740 B11R1.222 C[C@H](CO)N1CCOC[C@@H]1C 269982a_100009815349_100016084084 [0,1,0,1,0,0|2,0,0]=4 7741 B11R1.228 C#C[C@@H](C)OC1COCC1O 34a_100009815206_200000725654 [0,1,0,1,0,0|1,0,1]=4 7742 B11R1.228 C#C[C@@H](C)OC1COCC1O 7a_100009815206_200000725654 [0,1,0,1,0,0|1,0,1]=4 7743 B11R1.228 C=CC(C)OC1COCC1O 34a_100000695699_200000725654 [0,1,0,1,0,0|1,0,1]=4 7744 B11R1.228 CC(C#N)OC1COCC1O 34a_100011218135_200000725654 [0,1,0,1,0,0|1,0,1]=4 7745 B11R1.228 CC(CF)OC1COCC1O 34a_100016041109_200000725654 [0,1,0,1,0,0|1,0,0]=3 7746 B11R1.228 CC(CF)OC1COCC1O 7a_100016041109_200000725654 [0,1,0,1,0,0|1,0,0]=3 7747 B11R1.228 CC(CN)OC1COCC1O 34a_100000210904_200000725654 [0,1,0,1,0,0|1,0,0]=3 7748 B11R1.228 CC(CO)N[C@H]1COC[C@@H]1O 2230a_100015191717_100012180447 [0,1,0,1,0,0|1,0,0]=3 7749 B11R1.228 CC(CO)OC1CCCC1C 34a_100011216460_100012180447 [0,1,0,1,0,0|2,0,0]=4 7750 B11R1.228 CC(CO)OC1CCCC1C 7a_100011216460_100012180447 [0,1,0,1,0,0|2,0,0]=4 7751 B11R1.228 CC(CO)O[C@@H]1CCC[C@H]1Cl 34a_200016002552_100012180447 [0,1,0,1,0,0|2,0,0]=4 7752 B11R1.228 CC(CO)O[C@H]1CCC[C@@H]1N 34a_100000748460_100012180447 [0,1,0,1,0,0|2,0,0]=4 7753 B11R1.228 CC(CO)O[C@H]1CNC[C@H]1C 34a_200015306588_100012180447 [0,1,0,1,0,0|2,0,0]=4 7754 B11R1.228 CC(CO)O[C@H]1COC[C@@H]1N 34a_100015191717_100012180447 [0,1,0,1,0,0|1,0,0]=3 7755 B11R1.228 CC(CO)SC1COCC1O 62a_100012180447_200000725654 [0,1,0,1,0,0|0,1,0]=3 7756 B11R1.228 CC(CO)S[C@@H]1CCC[C@H]1O 62a_100012180447_200016002552 [0,1,0,1,0,0|1,1,0]=4 7757 B11R1.228 CCC(C)N[C@H]1COC[C@@H]1O 2230a_100015191717_100000758301 [0,1,0,1,0,0|2,0,0]=4 7758 B11R1.228 CCC(C)OC1COCC1O 7a_100000210228_200000725654 [0,1,0,1,0,0|1,0,0]=3 7759 B11R1.228 CCC(C)O[C@H]1COC[C@@H]1N 34a_100015191717_100011215416 [0,1,0,1,0,0|2,0,0]=4 7760 B11R1.228 CCC(C)SC1COCC1O 62a_100000758301_200000725654 [0,1,0,1,0,0|1,1,0]=4 7761 B11R1.228 CCC(C)SC1COCC1O 62a_200000725654_100000758301 [0,1,0,1,0,0|1,1,0]=4 7762 B11R1.228 C[C@H](CO)SC1COCC1O 62a_100016084084_200000725654 [0,1,0,1,0,0|0,1,0]=3 7763 B11R1.228 C[C@H](CO)SC1COCC1O 62a_200000725654_100016084084 [0,1,0,1,0,0|0,1,0]=3 7764 B11R1.228 C[C@H](CO)S[C@@H]1CCC[C@H]1O 62a_100016084084_200016002552 [0,1,0,1,0,0|1,1,0]=4 7765 B11R1.228 C[C@H](CO)S[C@@H]1CCC[C@H]1O 62a_200016002552_100016084084 [0,1,0,1,0,0|1,1,0]=4 7766 B11R1.228 O=C(CO)N[C@H]1COC[C@@H]1O 240690a_100015191717_100000210174 [0,1,0,1,0,0|1,0,1]=4 7767 B11R1.228 O=C(CO)N[C@H]1COC[C@@H]1O 527a_100015191717_100000210174 [0,1,0,1,0,0|1,0,1]=4 7768 B11R1.237 CC(CF)OCCCC1CO1 34a_100016041109_100000733510 [0,1,0,1,0,0|2,0,0]=4 7769 B11R1.237 CC(CF)OCCCC1CO1 7a_100016041109_100000733510 [0,1,0,1,0,0|2,0,0]=4 7770 B11R1.237 CC(CN)OCCCC1CO1 34a_100000210904_100000733510 [0,1,0,1,0,0|2,0,0]=4 7771 B11R1.237 CC(CO)OCCNC1CC1 34a_100000738766_100012180447 [0,1,0,1,0,0|2,0,0]=4 7772 B11R1.237 CC(CO)SCCCC1CO1 62a_100012180447_100000733510 [0,1,0,1,0,0|1,1,0]=4 7773 B11R1.237 CCC(C)OCCCC1CO1 7a_100000210228_100000733510 [0,1,0,1,0,0|2,0,0]=4 7774 B11R1.237 C[C@H](CO)NCCCC1CO1 2230a_100000737577_100000733510 [0,1,0,1,0,0|2,0,0]=4 7775 B11R1.237 C[C@H](CO)SCCCC1CO1 62a_100000733510_100016084084 [0,1,0,1,0,0|1,1,0]=4 7776 B11R1.237 C[C@H](CO)SCCCC1CO1 62a_100016084084_100000733510 [0,1,0,1,0,0|1,1,0]=4 7777 B11R1.320 CC1(CC1)NCCOCCO 2230a_100000757604_100011215305 [0,1,0,1,0,0|2,0,0]=4 7778 B11R1.320 CC1(CC1)OCCCCCO 7a_100011725673_100000746330 [0,1,0,1,0,0|2,0,0]=4 7779 B11R1.320 CC1(CC1)OCCOCCO 7a_100011725673_100011215305 [0,1,0,1,0,0|1,0,0]=3 7780 B11R1.320 CCCOCCOC1(CC1)C 7a_100011725673_100011215938 [0,1,0,1,0,0|2,0,0]=4 7781 B11R1.852 CC(CO)N1CCCOCC1 2230a_100000685342_100012180447 [0,1,0,1,0,0|2,0,0]=4 7782 B11R1.852 CC(CO)N1CCCOCC1 34a_100000685342_100012180447 [0,1,0,1,0,0|2,0,0]=4 7783 B11R1.852 C[C@H](CO)N1CCCOCC1 269982a_100000685342_100016084084 [0,1,0,1,0,0|2,0,0]=4 7784 B11R1.29 CC(NCCO)C1CCCO1 2230a_100025754208_100000211926 [0,1,0,1,0,0|2,0,0]=4 7785 B11R1.29 CC(NCCO)C1CCCO1 34a_100025754208_100000211926 [0,1,0,1,0,0|2,0,0]=4 7786 B11R1.29 CC(OCCO)C1CCCC1 34a_100011216366_100000211926 [0,1,0,1,0,0|2,0,0]=4 7787 B11R1.29 CC(OCCO)C1CCCC1 7a_100011216366_100000211926 [0,1,0,1,0,0|2,0,0]=4 7788 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CCO 2230a_100016991869_100000211926 [0,1,0,1,0,0|2,0,0]=4 7789 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CCO 269982a_100016991869_100000211926 [0,1,0,1,0,0|2,0,0]=4 7790 B11R1.182 C[C@@H]1CN([C@@H](CO1)C)CCO 34a_100016991869_100000211926 [0,1,0,1,0,0|2,0,0]=4 7791 B11R1.183 OCCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000211926 [0,1,0,1,0,0|2,0,0]=4 7792 B11R1.183 OCCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000211926 [0,1,0,1,0,0|2,0,0]=4 7793 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100000211926 [0,1,0,1,0,0|2,0,0]=4 7794 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100000211926 [0,1,0,1,0,0|2,0,0]=4 7795 B11R1.183 OCCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000211926 [0,1,0,1,0,0|2,0,0]=4 7796 B11R1.301 O=C(COCCO)CC1CO1 1458a_100000708028_100011216344 [0,1,0,1,0,0|1,0,1]=4 7797 B11R1.301 O=C(COCCO)C[C@@H]1CO1 1458a_100000708028_100000745022 [0,1,0,1,0,0|1,0,1]=4 7798 B11R1.605 C[C@@H]1COC[C@@H](N1CCO)C 2230a_100103153222_100000211926 [0,1,0,1,0,0|2,0,0]=4 7799 B11R1.605 C[C@@H]1COC[C@@H](N1CCO)C 269982a_100103153222_100000211926 [0,1,0,1,0,0|2,0,0]=4 7800 B11R1.605 C[C@@H]1COC[C@@H](N1CCO)C 34a_100103153222_100000211926 [0,1,0,1,0,0|2,0,0]=4 7801 B11R1.756 CC1(OCCO1)CNCCF 2230a_100000691740_100011217306 [0,1,0,1,0,0|2,0,0]=4 7802 B11R1.756 CC1(OCCO1)CNCCO 2230a_100000691740_100000211926 [0,1,0,1,0,0|1,0,0]=3 7803 B11R1.756 CC1(OCCO1)CSCCF 62a_100009818610_100011217306 [0,1,0,1,0,0|1,1,0]=4 7804 B11R1.756 CC1(OCCO1)CSCCF 62a_100011217306_100009818610 [0,1,0,1,0,0|1,1,0]=4 7805 B11R1.756 CC1(OCCO1)CSCCO 62a_100000211926_100009818610 [0,1,0,1,0,0|0,1,0]=3 7806 B11R1.756 CC1(OCCO1)CSCCO 62a_100009818610_100000211926 [0,1,0,1,0,0|0,1,0]=3 7807 B11R1.756 CCCNCC1(OCCO1)C 2230a_100000691740_100000210303 [0,1,0,1,0,0|2,0,0]=4 7808 B11R1.756 CCCSCC1(OCCO1)C 62a_100000210303_100009818610 [0,1,0,1,0,0|1,1,0]=4 7809 B11R1.756 CCCSCC1(OCCO1)C 62a_100009818610_100000210303 [0,1,0,1,0,0|1,1,0]=4 7810 B11R1.756 C[C@]1(CCCN1)COCCO 34a_100016195882_100000211926 [0,1,0,1,0,0|2,0,0]=4 7811 B11R1.756 NC1(CCCC1)COCCO 34a_100000749328_100000211926 [0,1,0,1,0,0|2,0,0]=4 7812 B11R1.900 CC1(CCCCC1)OCCO 34a_100011215885_100000211926 [0,1,0,1,0,0|2,0,0]=4 7813 B11R1.900 CC1(CCCCC1)OCCO 7a_100011215885_100000211926 [0,1,0,1,0,0|2,0,0]=4 7814 B11R1.1133 C[C@]1(CCC[C@H]1N)OCCO 34a_100015977457_100000211926 [0,1,0,1,0,0|2,0,0]=4 7815 B11R2.248 OCCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100000211926 [0,0,0,2,0,0|2,0,0]=4 7816 B11R2.248 OCCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100000211926 [0,0,0,2,0,0|2,0,0]=4 7817 B11R2.248 OCCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000211926 [0,0,0,2,0,0|2,0,0]=4 7818 B11R2.238 C1CCC(OC1)OC2CC2 34a_100000033831_100000211595 [0,0,0,2,0,0|2,0,0]=4 7819 B11R2.238 C1COCC(C1)OC2CC2 34a_100000754041_100000211595 [0,0,0,2,0,0|2,0,0]=4 7820 B11R2.927 OCCOC1CCC2C1C2 34a_200012295571_100000211926 [0,0,0,2,0,0|2,0,0]=4 7821 B11R2.237 C1CN(C1)CC2OCCO2 269982a_100000754969_100000755774 [0,0,0,2,0,0|2,0,0]=4 7822 B11R2.385 C1COC(C1)COC2CC2 34a_100000210270_100000211595 [0,0,0,2,0,0|2,0,0]=4 7823 B11R2.385 C1COC(O1)CNC2CC2 34a_100000036311_100000211595 [0,0,0,2,0,0|2,0,0]=4 7824 B11R2.385 C1COC(O1)CNC2CC2 34a_100000212008_100000755774 [0,0,0,2,0,0|2,0,0]=4 7825 B11R2.385 C1COC(O1)COC2CC2 34a_100000087154_100000211595 [0,0,0,2,0,0|1,0,0]=3 7826 B11R2.385 C1COC(O1)CSC2CC2 62a_100000755774_100000211595 [0,0,0,2,0,0|1,1,0]=4 7827 B11R2.115 N[C@H]1COC[C@@H]1OC2CC2 34a_100015191717_100000211595 [0,0,0,2,0,0|2,0,0]=4 7828 B11R2.115 OC1COCC1NC2CC2 34a_100000212008_200000725654 [0,0,0,2,0,0|2,0,0]=4 7829 B11R2.115 OC1COCC1SC2CC2 62a_200000725654_100000211595 [0,0,0,2,0,0|1,1,0]=4