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C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,0,0,0,0,0|1,0,2]=3 13 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,0,0,0,0,0|1,0,2]=3 14 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,0,0,0,0,0|1,0,2]=3 15 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,0,0,0,0,0|1,0,2]=3 17 B10R0.74 C#CCCCCCN(C)CC 2230a_100000225621_100012094781 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.74 C#CCCCCCN(C)CC 269982a_100000225621_100012094781 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [0,0,0,0,0,0|1,0,2]=3 20 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [0,0,0,0,0,0|1,0,2]=3 21 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [0,0,0,0,0,0|1,0,2]=3 22 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [0,0,0,0,0,0|1,0,2]=3 23 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.74 C#CCCCCNC(=O)NC 2708a_100000706060_106832991635 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.74 C#CCCCCNC(=O)NC 2708a_100102657272_100000706060 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.74 C#CCCCCNC(=O)NC 273464a_100000706060_100102657272 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.74 C#CCCCCNC(=O)NC 273464a_100102657272_100000706060 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.74 C#CCCCCNC(=O)NC 512a_100000706060_100102657272 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.74 C#CCCCCNC(=O)NC 512a_106832991638_100000706060 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.74 C#CCCCNCC(=O)NC 2230a_100000693194_100000731252 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.74 C#CCCCNCC(=O)NC 34a_100000718082_100000183359 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,0,0,0,0,0|1,0,2]=3 35 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,0,0,0,0,0|1,0,2]=3 36 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.74 C#CCCCSCC(=O)CC 62a_100000747405_100011215417 [0,0,0,0,0,0|1,0,2]=3 42 B10R0.74 C#CCCCSCC(=O)CC 62a_100011215417_100000747405 [0,0,0,0,0,0|1,0,2]=3 43 B10R0.74 C#CCCCSCC(=O)NC 62a_100000183359_100011215417 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.74 C#CCCCSCC(=O)NC 62a_100011215417_100000183359 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.74 C#CCCNCCC(=O)NC 2230a_100000738227_100000688953 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.74 C#CCCNCCC(=O)NC 34a_100000738227_100000688953 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.74 C#CCCNCCC(=O)NC 34a_100000755551_100012179268 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.74 C#CCCOCCC(=O)NC 34a_100000754576_100000688953 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.74 C#CCCOCCC(=O)NC 34a_100011215631_100012179268 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.74 C#CCCSCCC(=O)NC 62a_100000688953_100000737683 [0,0,0,0,0,0|2,0,2]=4 55 B10R0.74 C#CCCSCCC(=O)NC 62a_100000737683_100000688953 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.74 C#CCNCCCC(=O)NC 2230a_100000740002_100000038162 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.74 C#CCNCCCC(=O)NC 34a_100000212058_100000741757 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.74 C#CCNCCCC(=O)NC 34a_100000740002_100000184674 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.74 C#CCNCCNC(=O)CC 34a_100132302217_100000184674 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.74 C#CCOCCCC(=O)NC 34a_100000210247_100000741757 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.74 C#CCOCCNC(=O)CC 11a_100000700922_100000210414 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.74 C#CCOCCNC(=O)CC 1626a_100000700922_100000210414 [0,0,0,0,0,0|2,0,2]=4 67 B10R0.74 C#CCOCCNC(=O)CC 240690a_100000700922_100000210414 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.74 C#CCOCCNC(=O)CC 34a_200000158885_100000184674 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.74 C#CCOCCNC(=O)CC 527a_100000700922_100000210414 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.74 C#CCOCCNC(=O)CC 7a_200000158885_100000038162 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.74 C#CCOCCOC(=O)CC 7a_200000031056_100000038162 [0,0,0,0,0,0|2,0,2]=4 72 B10R0.74 C#CCSCCCC(=O)NC 62a_100000038162_100000741757 [0,0,0,0,0,0|2,0,2]=4 73 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,0,0,0,0,0|2,0,2]=4 74 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,0,0,0,0,0|2,0,2]=4 75 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,0,0,0,0,0|2,0,2]=4 80 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,0,0,0,0,0|2,0,2]=4 81 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,0,0,0,0,0|2,0,2]=4 82 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,0,0,0,0,0|2,0,2]=4 83 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,0,0,0,0,0|2,0,2]=4 84 B10R0.74 C=C(C#N)CNCCCCC 2230a_100000209983_100000694840 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,0,0,0,0,0|3,0,1]=4 86 B10R0.74 C=C(C#N)CSCCCCC 62a_100000210326_100000694840 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,0,0,0,0,0|1,0,3]=4 88 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,0,0,0,0,0|0,0,2]=2 89 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,0,0,0,0,0|1,0,2]=3 90 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,0,0,0,0,0|1,0,2]=3 91 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,0,0,0,0,0|1,0,2]=3 92 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,0,0,0,0,0|2,0,2]=4 93 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,0,0,0,0,0|1,0,2]=3 94 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,0,0,0,0,0|1,0,2]=3 95 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,0,0,0,0,0|2,0,2]=4 101 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,0,0,0,0,0|2,0,2]=4 102 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,0,0,0,0,0|2,0,2]=4 104 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,0,0,0,0,0|2,0,2]=4 108 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,0,0,0,0,0|0,0,4]=4 110 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,0,0,0,0,0|0,0,2]=2 111 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,0,0,0,0,0|0,0,2]=2 112 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,0,0,0,0,0|1,0,2]=3 113 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,0,0,0,0,0|1,0,2]=3 114 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,0,0,0,0,0|1,0,2]=3 115 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 116 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 117 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,0,0,0,0,0|1,0,2]=3 118 B10R0.74 C=CCCCCCN(C)CC 2230a_100000225621_100000700193 [0,0,0,0,0,0|2,0,2]=4 119 B10R0.74 C=CCCCCCN(C)CC 269982a_100000225621_100000700193 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,0,0,0,0,0|1,0,2]=3 121 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,0,0,0,0,0|1,0,2]=3 122 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,0,0,0,0,0|1,0,2]=3 123 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,0,0,0,0,0|1,0,2]=3 124 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,0,0,0,0,0|2,0,2]=4 127 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,0,0,0,0,0|2,0,2]=4 128 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,0,0,0,0,0|2,0,2]=4 130 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,0,0,0,0,0|2,0,2]=4 132 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,0,0,0,0,0|2,0,2]=4 133 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,0,0,0,0,0|2,0,2]=4 135 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,0,0,0,0,0|2,0,2]=4 136 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,0,0,0,0,0|2,0,2]=4 137 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,0,0,0,0,0|1,0,2]=3 138 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,0,0,0,0,0|1,0,2]=3 139 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,0,0,0,0,0|2,0,2]=4 141 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,0,0,0,0,0|2,0,2]=4 142 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,0,0,0,0,0|2,0,2]=4 143 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,0,0,0,0,0|2,0,2]=4 144 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,0,0,0,0,0|1,0,2]=3 145 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,0,0,0,0,0|1,0,2]=3 146 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,0,0,0,0,0|2,0,2]=4 147 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,0,0,0,0,0|2,0,2]=4 148 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,0,0,0,0,0|2,0,2]=4 149 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,0,0,0,0,0|2,0,2]=4 150 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,0,0,0,0,0|2,0,2]=4 151 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,0,0,0,0,0|2,0,2]=4 152 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,0,0,0,0,0|2,0,2]=4 154 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,0,0,0,0,0|2,0,2]=4 155 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,0,0,0,0,0|2,0,2]=4 156 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,0,0,0,0,0|2,0,2]=4 157 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,0,0,0,0,0|2,0,2]=4 158 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,0,0,0,0,0|2,0,2]=4 159 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,0,0,0,0,0|2,0,2]=4 160 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,0,0,0,0,0|2,0,2]=4 161 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,0,0,0,0,0|2,0,2]=4 162 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,0,0,0,0,0|2,0,2]=4 163 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,0,0,0,0,0|2,0,2]=4 164 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.74 C=CCNCCNC(=O)CC 34a_100132302217_100015514636 [0,0,0,0,0,0|2,0,2]=4 166 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,0,0,0,0,0|2,0,2]=4 167 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,0,0,0,0,0|2,0,2]=4 168 B10R0.74 C=CCOCCNC(=O)CC 34a_200000158885_100015514636 [0,0,0,0,0,0|2,0,2]=4 169 B10R0.74 C=CCOCCNC(=O)CC 7a_200000158885_100015514636 [0,0,0,0,0,0|2,0,2]=4 170 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,0,0,0,0,0|2,0,2]=4 171 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,0,0,0,0,0|2,0,2]=4 172 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,0,0,0,0,0|2,0,2]=4 173 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.74 C=COCCCNC(=O)CC 11a_100000210767_100000210414 [0,0,0,0,0,0|2,0,2]=4 176 B10R0.74 C=COCCCNC(=O)CC 1626a_100000210767_100000210414 [0,0,0,0,0,0|2,0,2]=4 177 B10R0.74 C=COCCCNC(=O)CC 240690a_100000210767_100000210414 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.74 C=COCCCNC(=O)CC 527a_100000210767_100000210414 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.74 C=COCCOCC(=O)CC 34a_100000725409_100000039644 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.74 C=COCCSCC(=O)CC 62a_100000039644_100000747405 [0,0,0,0,0,0|2,0,2]=4 181 B10R0.74 C=COCCSCC(=O)CC 62a_100000747405_100000039644 [0,0,0,0,0,0|2,0,2]=4 182 B10R0.74 CC#CCCOCC(=O)NC 34a_100000750427_100000183359 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,0,0,0,0,0|2,0,2]=4 184 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000685387_100000737683 [0,0,0,0,0,0|2,0,2]=4 185 B10R0.74 CC#CCNCCC(=O)NC 2230a_100000738227_100000748600 [0,0,0,0,0,0|2,0,2]=4 186 B10R0.74 CC#CCNCCC(=O)NC 34a_100000685387_100012179268 [0,0,0,0,0,0|2,0,2]=4 187 B10R0.74 CC#CCNCCC(=O)NC 34a_100000738227_100000748600 [0,0,0,0,0,0|2,0,2]=4 188 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,0,0,0,0,0|2,0,2]=4 189 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,0,0,0,0,0|2,0,2]=4 190 B10R0.74 CC#CCOCCC(=O)NC 34a_100000754576_100000748600 [0,0,0,0,0,0|2,0,2]=4 191 B10R0.74 CC#CCOCCC(=O)NC 34a_100000761923_100012179268 [0,0,0,0,0,0|2,0,2]=4 192 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,0,0,0,0,0|2,0,2]=4 193 B10R0.74 CC#CCSCCC(=O)NC 62a_100000737683_100000748600 [0,0,0,0,0,0|2,0,2]=4 194 B10R0.74 CC#CCSCCC(=O)NC 62a_100000748600_100000737683 [0,0,0,0,0,0|2,0,2]=4 195 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,0,0,0,0,0|2,0,2]=4 196 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.74 CC/C=C\CNCC(=O)NC 2230a_100000693194_100103147603 [0,0,0,0,0,0|2,0,2]=4 198 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [0,0,0,0,0,0|1,0,2]=3 199 B10R0.74 CC/C=C\COCC(=O)NC 34a_100000750040_100103147603 [0,0,0,0,0,0|2,0,2]=4 200 B10R0.74 CC/C=C\COCC(=O)NC 34a_100016268518_100000183359 [0,0,0,0,0,0|2,0,2]=4 201 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,0,0,0,0,0|2,0,2]=4 202 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [0,0,0,0,0,0|1,0,2]=3 203 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [0,0,0,0,0,0|1,0,2]=3 204 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100000183359_100103147603 [0,0,0,0,0,0|2,0,2]=4 205 B10R0.74 CC/C=C\CSCC(=O)NC 62a_100103147603_100000183359 [0,0,0,0,0,0|2,0,2]=4 206 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,0,0,0,0,0|2,0,2]=4 207 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,0,0,0,0,0|2,0,2]=4 208 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,0,0,0,0,0|2,0,2]=4 209 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,0,0,0,0,0|2,0,2]=4 210 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,0,0,0,0,0|2,0,2]=4 211 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,0,0,0,0,0|2,0,2]=4 212 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,0,0,0,0,0|2,0,2]=4 213 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,0,0,0,0,0|2,0,2]=4 214 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,0,0,0,0,0|2,0,2]=4 215 B10R0.74 CCC#CCNCC(=O)NC 2230a_100000693194_100009813939 [0,0,0,0,0,0|2,0,2]=4 216 B10R0.74 CCC#CCOCC(=O)CC 34a_100000725409_100009813939 [0,0,0,0,0,0|1,0,2]=3 217 B10R0.74 CCC#CCOCC(=O)NC 34a_100000032950_100000183359 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.74 CCC#CCOCC(=O)NC 34a_100000750040_100009813939 [0,0,0,0,0,0|2,0,2]=4 219 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,0,0,0,0,0|2,0,2]=4 220 B10R0.74 CCC#CCSCC(=O)CC 62a_100000747405_100009813939 [0,0,0,0,0,0|1,0,2]=3 221 B10R0.74 CCC#CCSCC(=O)CC 62a_100009813939_100000747405 [0,0,0,0,0,0|1,0,2]=3 222 B10R0.74 CCC#CCSCC(=O)NC 62a_100000183359_100009813939 [0,0,0,0,0,0|2,0,2]=4 223 B10R0.74 CCC#CCSCC(=O)NC 62a_100009813939_100000183359 [0,0,0,0,0,0|2,0,2]=4 224 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,0,0,0,0,0|2,0,2]=4 225 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,0,0,0,0,0|1,0,1]=2 227 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,0,0,0,0,0|1,0,0]=1 228 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,0,0,0,0,0|1,0,0]=1 229 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,0,0,0,0,0|1,0,0]=1 230 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,0,0,0,0,0|1,0,0]=1 231 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [0,0,0,0,0,0|3,0,0]=3 232 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,0,0,0,0,0|2,0,0]=2 233 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,0,0,0,0,0|2,0,0]=2 234 B10R0.74 CCC(=O)COCC#CCO 34a_100000725409_200000047223 [0,0,0,0,0,0|2,0,2]=4 235 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,0,0,0,0,0|2,0,0]=2 236 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,0,0,0,0,0|2,0,0]=2 237 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,0,0,0,0,0|2,0,0]=2 238 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,0,0,0,0,0|2,0,0]=2 239 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,0,0,0,0,0|2,0,0]=2 240 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,0,0,0,0,0|2,0,0]=2 241 B10R0.74 CCC(=O)CSCC#CCO 62a_100000747405_200000047223 [0,0,0,0,0,0|2,0,2]=4 242 B10R0.74 CCC(=O)CSCC#CCO 62a_200000047223_100000747405 [0,0,0,0,0,0|2,0,2]=4 243 B10R0.74 CCC(=O)CSCCCC#N 62a_100000687738_100000747405 [0,0,0,0,0,0|2,0,1]=3 244 B10R0.74 CCC(=O)CSCCCC#N 62a_100000747405_100000687738 [0,0,0,0,0,0|2,0,1]=3 245 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,0,0,0,0,0|2,0,1]=3 246 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,0,0,0,0,0|2,0,1]=3 247 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,0,0,0,0,0|2,0,0]=2 248 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,0,0,0,0,0|2,0,0]=2 249 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,0,0,0,0,0|2,0,0]=2 250 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,0,0,0,0,0|2,0,0]=2 251 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,0,0,0,0,0|2,0,0]=2 252 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,0,0,0,0,0|2,0,0]=2 253 B10R0.74 CCC(=O)CSCCSC#N 62a_100000034367_100000747405 [0,0,0,0,0,0|3,0,1]=4 254 B10R0.74 CCC(=O)CSCCSC#N 62a_100000747405_100000034367 [0,0,0,0,0,0|3,0,1]=4 255 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [0,0,0,0,0,0|2,0,1]=3 256 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [0,0,0,0,0,0|2,0,1]=3 257 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [0,0,0,0,0,0|2,0,1]=3 258 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [0,0,0,0,0,0|2,0,1]=3 259 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,0,0,0,0,0|2,0,0]=2 260 B10R0.74 CCC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100000210414 [0,0,0,0,0,0|4,0,0]=4 261 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,0,0,0,0,0|3,0,1]=4 262 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [0,0,0,0,0,0|3,0,0]=3 263 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [0,0,0,0,0,0|3,0,0]=3 264 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [0,0,0,0,0,0|3,0,0]=3 265 B10R0.74 CCC(=O)NCCOCC#N 7a_200000158885_100011215382 [0,0,0,0,0,0|3,0,1]=4 266 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,0,0,0,0,0|3,0,1]=4 267 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,0,0,0,0,0|3,0,1]=4 268 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [0,0,0,0,0,0|3,0,0]=3 269 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [0,0,0,0,0,0|3,0,0]=3 270 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [0,0,0,0,0,0|3,0,0]=3 271 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [0,0,0,0,0,0|3,0,0]=3 272 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [0,0,0,0,0,0|3,0,0]=3 273 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [0,0,0,0,0,0|3,0,0]=3 274 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [0,0,0,0,0,0|3,0,0]=3 275 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [0,0,0,0,0,0|3,0,0]=3 276 B10R0.74 CCC(=O)NN=CCCSC 4a_100000183195_100000210997 [0,0,0,0,0,0|3,0,1]=4 277 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [0,0,0,0,0,0|3,0,0]=3 278 B10R0.74 CCC(=O)OCCOCC#N 7a_200000031056_100011215382 [0,0,0,0,0,0|3,0,1]=4 279 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,0,0,0,0,0|3,0,1]=4 280 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,0,0,0,0,0|3,0,0]=3 281 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,0,0,0,0,0|3,0,0]=3 282 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [0,0,0,0,0,0|2,0,1]=3 283 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [0,0,0,0,0,0|2,0,1]=3 284 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [0,0,0,0,0,0|3,0,1]=4 285 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [0,0,0,0,0,0|3,0,1]=4 286 B10R0.74 CCC(C)CCNCCCF 2230a_100020591266_100011934791 [0,0,0,0,0,0|3,0,1]=4 287 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,0,0,0,0,0|3,0,1]=4 288 B10R0.74 CCC(C)CCNCCOC 2230a_100020591266_100011201679 [0,0,0,0,0,0|3,0,1]=4 289 B10R0.74 CCC(C)CCNCCSC 2230a_100020591266_100000751147 [0,0,0,0,0,0|3,0,1]=4 290 B10R0.74 CCC(C)CCOCCCF 7a_100011215188_100011934791 [0,0,0,0,0,0|3,0,1]=4 291 B10R0.74 CCC(C)CCOCCCO 7a_100011215188_100011215043 [0,0,0,0,0,0|3,0,1]=4 292 B10R0.74 CCC(C)CCOCCOC 7a_100011215188_100000233755 [0,0,0,0,0,0|3,0,1]=4 293 B10R0.74 CCC(C)CCOCCSC 7a_100011215188_100000212216 [0,0,0,0,0,0|3,0,1]=4 294 B10R0.74 CCC(C)CNCCCCF 2230a_100020588543_100000729493 [0,0,0,0,0,0|3,0,1]=4 295 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,0,0,0,0,0|3,0,1]=4 296 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,0,0,0,0,0|3,0,1]=4 297 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,0,0,0,0,0|3,0,1]=4 298 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,0,0,0,0,0|3,0,1]=4 299 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,0,0,0,0,0|3,0,1]=4 300 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,0,0,0,0,0|3,0,1]=4 301 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,0,0,0,0,0|3,0,1]=4 302 B10R0.74 CCC(C)CNCCCSC 2230a_100000749238_100000748023 [0,0,0,0,0,0|3,0,1]=4 303 B10R0.74 CCC(C)CNCCCSC 270004a_100000749238_100000243153 [0,0,0,0,0,0|3,0,1]=4 304 B10R0.74 CCC(C)COCCCCBr 34a_100011216708_100000748023 [0,0,0,0,0,0|3,0,1]=4 305 B10R0.74 CCC(C)COCCCCCl 34a_100000210776_100000748023 [0,0,0,0,0,0|3,0,1]=4 306 B10R0.74 CCC(C)COCCCCCl 7a_100000210776_100000748023 [0,0,0,0,0,0|3,0,1]=4 307 B10R0.74 CCC(C)COCCCCF 34a_100011995726_100000748023 [0,0,0,0,0,0|3,0,1]=4 308 B10R0.74 CCC(C)COCCCCF 7a_100011995726_100000748023 [0,0,0,0,0,0|3,0,1]=4 309 B10R0.74 CCC(C)COCCCCI 34a_200012148704_100000748023 [0,0,0,0,0,0|3,0,1]=4 310 B10R0.74 CCC(C)COCCCCN 34a_100000750430_100000748023 [0,0,0,0,0,0|3,0,1]=4 311 B10R0.74 CCC(C)COCCCNC 34a_100000213112_100000748023 [0,0,0,0,0,0|3,0,1]=4 312 B10R0.74 CCC(C)COCCCOC 34a_100000740835_100000748023 [0,0,0,0,0,0|3,0,1]=4 313 B10R0.74 CCC(C)COCCCSC 34a_100000690336_100000748023 [0,0,0,0,0,0|3,0,1]=4 314 B10R0.74 CCC(C)COCCCSC 7a_100000690336_100000748023 [0,0,0,0,0,0|3,0,1]=4 315 B10R0.74 CCC(C)CSCCCCF 62a_100000729493_100000748023 [0,0,0,0,0,0|3,0,1]=4 316 B10R0.74 CCC(C)CSCCCCF 62a_100000748023_100000729493 [0,0,0,0,0,0|3,0,1]=4 317 B10R0.74 CCC(C)CSCCCCO 62a_100000210776_100000748023 [0,0,0,0,0,0|3,0,1]=4 318 B10R0.74 CCC(C)CSCCCCO 62a_100000748023_100000210776 [0,0,0,0,0,0|3,0,1]=4 319 B10R0.74 CCC(C)CSCCCOC 62a_100000709357_100000748023 [0,0,0,0,0,0|3,0,1]=4 320 B10R0.74 CCC(C)CSCCCOC 62a_100000748023_100000709357 [0,0,0,0,0,0|3,0,1]=4 321 B10R0.74 CCC(C)NCCCCCF 2230a_100000209981_100000729378 [0,0,0,0,0,0|3,0,1]=4 322 B10R0.74 CCC(C)NCCCCCO 2230a_100000209981_100000746330 [0,0,0,0,0,0|3,0,1]=4 323 B10R0.74 CCC(C)NCCCCCO 2230a_100000762737_100000758301 [0,0,0,0,0,0|3,0,1]=4 324 B10R0.74 CCC(C)NCCCCCO 34a_100000762737_100011215416 [0,0,0,0,0,0|3,0,1]=4 325 B10R0.74 CCC(C)NCCCCOC 2230a_100000209981_100000730899 [0,0,0,0,0,0|3,0,1]=4 326 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [0,0,0,0,0,0|3,0,1]=4 327 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [0,0,0,0,0,0|3,0,1]=4 328 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [0,0,0,0,0,0|3,0,1]=4 329 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [0,0,0,0,0,0|3,0,1]=4 330 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [0,0,0,0,0,0|3,0,1]=4 331 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [0,0,0,0,0,0|3,0,1]=4 332 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [0,0,0,0,0,0|3,0,1]=4 333 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [0,0,0,0,0,0|3,0,1]=4 336 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [0,0,0,0,0,0|3,0,1]=4 337 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [0,0,0,0,0,0|3,0,1]=4 338 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [0,0,0,0,0,0|3,0,1]=4 339 B10R0.74 CCC(C)SCCCCCF 62a_100000729378_100000758301 [0,0,0,0,0,0|3,0,1]=4 340 B10R0.74 CCC(C)SCCCCCF 62a_100000758301_100000729378 [0,0,0,0,0,0|3,0,1]=4 341 B10R0.74 CCC(C)SCCCCCO 62a_100000746330_100000758301 [0,0,0,0,0,0|3,0,1]=4 342 B10R0.74 CCC(C)SCCCCCO 62a_100000758301_100000746330 [0,0,0,0,0,0|3,0,1]=4 343 B10R0.74 CCC(C)SCCCCOC 62a_100000730899_100000758301 [0,0,0,0,0,0|3,0,1]=4 344 B10R0.74 CCC(C)SCCCCOC 62a_100000758301_100000730899 [0,0,0,0,0,0|3,0,1]=4 345 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,0,0,0,0,0|2,0,2]=4 346 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,0,0,0,0,0|2,0,2]=4 347 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,0,0,0,0,0|2,0,2]=4 348 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,0,0,0,0,0|2,0,2]=4 349 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,0,0,0,0,0|2,0,2]=4 350 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,0,0,0,0,0|2,0,2]=4 351 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,0,0,0,0,0|2,0,2]=4 352 B10R0.74 CCC(O)COCCCCBr 34a_100011216708_100011218378 [0,0,0,0,0,0|2,0,2]=4 353 B10R0.74 CCC(O)COCCCCCl 34a_100000210776_100011218378 [0,0,0,0,0,0|2,0,2]=4 354 B10R0.74 CCC(O)COCCCCCl 7a_100000210776_100011218378 [0,0,0,0,0,0|2,0,2]=4 355 B10R0.74 CCC(O)COCCCCF 34a_100011995726_100011218378 [0,0,0,0,0,0|2,0,2]=4 356 B10R0.74 CCC(O)COCCCCF 7a_100011995726_100011218378 [0,0,0,0,0,0|2,0,2]=4 357 B10R0.74 CCC(O)COCCCCI 34a_200012148704_100011218378 [0,0,0,0,0,0|2,0,2]=4 358 B10R0.74 CCC(O)COCCCCN 34a_100000750430_100011218378 [0,0,0,0,0,0|2,0,2]=4 359 B10R0.74 CCC(O)COCCCNC 34a_100000213112_100011218378 [0,0,0,0,0,0|2,0,2]=4 360 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,0,0,0,0,0|2,0,2]=4 361 B10R0.74 CCC(O)COCCCSC 34a_100000690336_100011218378 [0,0,0,0,0,0|2,0,2]=4 362 B10R0.74 CCC(O)COCCCSC 7a_100000690336_100011218378 [0,0,0,0,0,0|2,0,2]=4 363 B10R0.74 CCC(O)CSCCCCF 62a_100000729493_100011218378 [0,0,0,0,0,0|2,0,2]=4 364 B10R0.74 CCC(O)CSCCCCF 62a_100011218378_100000729493 [0,0,0,0,0,0|2,0,2]=4 365 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,0,0,0,0,0|2,0,2]=4 366 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,0,0,0,0,0|2,0,2]=4 367 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,0,0,0,0,0|2,0,2]=4 368 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,0,0,0,0,0|2,0,2]=4 369 B10R0.74 CCC/C=C/C=CC(=O)CC 1458a_200016258893_100000210202 [0,0,0,0,0,0|0,0,4]=4 370 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,0,0,0,0,0|0,0,2]=2 371 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,0,0,0,0,0|1,0,2]=3 372 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,0,0,0,0,0|1,0,2]=3 373 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 374 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 375 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,0,0,0,0,0|1,0,2]=3 376 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [0,0,0,0,0,0|2,0,1]=3 377 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,0,0,0,0,0|0,0,2]=2 378 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,0,0,0,0,0|1,0,2]=3 379 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,0,0,0,0,0|1,0,2]=3 380 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,0,0,0,0,0|0,0,2]=2 381 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,0,0,0,0,0|1,0,2]=3 382 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,0,0,0,0,0|1,0,2]=3 383 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,0,0,0,0,0|1,0,2]=3 384 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,0,0,0,0,0|1,0,2]=3 385 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,0,0,0,0,0|0,0,0]=0 386 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,0,0,0,0,0|0,0,0]=0 387 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,0,0,0,0,0|1,0,0]=1 388 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,0,0,0,0,0|1,0,0]=1 389 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,0,0,0,0,0|1,0,0]=1 390 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 391 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 392 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,0,0,0,0,0|1,0,0]=1 393 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [0,0,0,0,0,0|2,0,1]=3 394 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [0,0,0,0,0,0|2,0,1]=3 395 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [0,0,0,0,0,0|2,0,1]=3 396 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [0,0,0,0,0,0|2,0,1]=3 397 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,0,0,0,0,0|2,0,1]=3 398 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,0,0,0,0,0|2,0,1]=3 399 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,0,0,0,0,0|2,0,1]=3 400 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,0,0,0,0,0|2,0,1]=3 401 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,0,0,0,0,0|2,0,1]=3 402 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [0,0,0,0,0,0|2,0,1]=3 403 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [0,0,0,0,0,0|2,0,1]=3 404 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [0,0,0,0,0,0|2,0,1]=3 405 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [0,0,0,0,0,0|2,0,1]=3 406 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [0,0,0,0,0,0|2,0,0]=2 407 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [0,0,0,0,0,0|2,0,0]=2 408 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [0,0,0,0,0,0|2,0,0]=2 409 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [0,0,0,0,0,0|2,0,0]=2 410 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [0,0,0,0,0,0|2,0,0]=2 411 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [0,0,0,0,0,0|2,0,0]=2 412 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [0,0,0,0,0,0|3,0,0]=3 413 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [0,0,0,0,0,0|2,0,0]=2 414 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [0,0,0,0,0,0|2,0,0]=2 415 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,0,0,0,0,0|1,0,0]=1 416 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,0,0,0,0,0|1,0,0]=1 417 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,0,0,0,0,0|1,0,0]=1 418 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,0,0,0,0,0|1,0,0]=1 419 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,0,0,0,0,0|2,0,0]=2 420 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,0,0,0,0,0|2,0,0]=2 421 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,0,0,0,0,0|2,0,0]=2 422 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,0,0,0,0,0|2,0,0]=2 423 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,0,0,0,0,0|2,0,0]=2 424 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,0,0,0,0,0|2,0,0]=2 425 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,0,0,0,0,0|2,0,0]=2 426 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,0,0,0,0,0|2,0,0]=2 427 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [0,0,0,0,0,0|2,0,1]=3 428 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [0,0,0,0,0,0|2,0,1]=3 429 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,0,0,0,0,0|3,0,1]=4 430 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,0,0,0,0,0|3,0,1]=4 431 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [0,0,0,0,0,0|2,0,1]=3 432 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [0,0,0,0,0,0|2,0,1]=3 433 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [0,0,0,0,0,0|2,0,1]=3 434 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [0,0,0,0,0,0|3,0,1]=4 435 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [0,0,0,0,0,0|3,0,1]=4 436 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [0,0,0,0,0,0|3,0,1]=4 437 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,0,0,0,0,0|3,0,1]=4 438 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,0,0,0,0,0|3,0,1]=4 439 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [0,0,0,0,0,0|2,0,1]=3 440 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [0,0,0,0,0,0|2,0,1]=3 441 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,0,0,0,0,0|3,0,1]=4 442 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,0,0,0,0,0|3,0,1]=4 443 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,0,0,0,0,0|3,0,1]=4 444 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,0,0,0,0,0|3,0,1]=4 445 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,0,0,0,0,0|3,0,1]=4 446 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,0,0,0,0,0|2,0,0]=2 447 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,0,0,0,0,0|2,0,0]=2 448 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,0,0,0,0,0|2,0,0]=2 449 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [0,0,0,0,0,0|2,0,1]=3 450 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [0,0,0,0,0,0|2,0,1]=3 451 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [0,0,0,0,0,0|2,0,1]=3 452 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,0,0,0,0,0|3,0,1]=4 453 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,0,0,0,0,0|1,0,2]=3 454 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,0,0,0,0,0|1,0,2]=3 455 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,0,0,0,0,0|2,0,2]=4 456 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [0,0,0,0,0,0|2,0,1]=3 457 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,0,0,0,0,0|3,0,1]=4 458 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,0,0,0,0,0|3,0,1]=4 459 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,0,0,0,0,0|3,0,1]=4 460 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,0,0,0,0,0|2,0,2]=4 461 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,0,0,0,0,0|2,0,2]=4 462 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,0,0,0,0,0|2,0,2]=4 463 B10R0.74 CCCCCNN=C(C)CF 4a_100000694160_100000039719 [0,0,0,0,0,0|4,0,0]=4 464 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,0,0,0,0,0|4,0,0]=4 465 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,0,0,0,0,0|2,0,0]=2 466 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,0,0,0,0,0|3,0,0]=3 467 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,0,0,0,0,0|3,0,0]=3 468 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,0,0,0,0,0|3,0,0]=3 469 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,0,0,0,0,0|3,0,0]=3 470 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,0,0,0,0,0|1,0,0]=1 471 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,0,0,0,0,0|1,0,0]=1 472 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,0,0,0,0,0|2,0,0]=2 473 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,0,0,0,0,0|2,0,0]=2 474 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,0,0,0,0,0|2,0,0]=2 475 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,0,0,0,0,0|2,0,0]=2 476 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,0,0,0,0,0|2,0,0]=2 477 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [0,0,0,0,0,0|2,0,1]=3 478 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [0,0,0,0,0,0|2,0,1]=3 479 B10R0.74 CCCCCOCC(C)CN 34a_100000744482_100000718602 [0,0,0,0,0,0|3,0,1]=4 480 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,0,0,0,0,0|3,0,1]=4 481 B10R0.74 CCCCCOCC(Cl)CCl 34a_100000033668_100000718602 [0,0,0,0,0,0|3,0,1]=4 482 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,0,0,0,0,0|1,0,2]=3 483 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,0,0,0,0,0|1,0,2]=3 484 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,0,0,0,0,0|2,0,2]=4 485 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,0,0,0,0,0|2,0,2]=4 486 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [0,0,0,0,0,0|2,0,1]=3 487 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [0,0,0,0,0,0|2,0,1]=3 488 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [0,0,0,0,0,0|2,0,1]=3 489 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,0,0,0,0,0|3,0,1]=4 490 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,0,0,0,0,0|3,0,1]=4 491 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,0,0,0,0,0|2,0,2]=4 492 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,0,0,0,0,0|2,0,2]=4 493 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,0,0,0,0,0|2,0,2]=4 494 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,0,0,0,0,0|2,0,2]=4 495 B10R0.74 CCCCCOC[C@H](F)CN 34a_100015665980_100000718602 [0,0,0,0,0,0|3,0,1]=4 496 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,0,0,0,0,0|1,0,0]=1 497 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,0,0,0,0,0|1,0,0]=1 498 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,0,0,0,0,0|2,0,0]=2 499 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,0,0,0,0,0|2,0,0]=2 500 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,0,0,0,0,0|2,0,0]=2 501 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,0,0,0,0,0|2,0,0]=2 502 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [0,0,0,0,0,0|2,0,1]=3 503 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [0,0,0,0,0,0|2,0,1]=3 504 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,0,0,0,0,0|1,0,2]=3 505 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,0,0,0,0,0|1,0,2]=3 506 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,0,0,0,0,0|2,0,2]=4 507 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,0,0,0,0,0|2,0,2]=4 508 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [0,0,0,0,0,0|2,0,1]=3 509 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [0,0,0,0,0,0|2,0,1]=3 510 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,0,0,0,0,0|3,0,1]=4 511 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,0,0,0,0,0|3,0,1]=4 512 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,0,0,0,0,0|2,0,2]=4 513 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,0,0,0,0,0|2,0,2]=4 514 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,0,0,0,0,0|2,0,2]=4 515 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,0,0,0,0,0|2,0,2]=4 516 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,0,0,0,0,0|2,0,0]=2 517 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,0,0,0,0,0|2,0,0]=2 518 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,0,0,0,0,0|2,0,0]=2 519 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,0,0,0,0,0|2,0,0]=2 520 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,0,0,0,0,0|2,0,0]=2 521 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,0,0,0,0,0|2,0,0]=2 522 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [0,0,0,0,0,0|2,0,1]=3 523 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,0,0,0,0,0|3,0,1]=4 524 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,0,0,0,0,0|3,0,1]=4 525 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,0,0,0,0,0|3,0,1]=4 526 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,0,0,0,0,0|4,0,0]=4 527 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,0,0,0,0,0|1,0,0]=1 528 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,0,0,0,0,0|2,0,0]=2 529 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,0,0,0,0,0|2,0,0]=2 530 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,0,0,0,0,0|2,0,0]=2 531 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,0,0,0,0,0|2,0,0]=2 532 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,0,0,0,0,0|2,0,0]=2 533 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,0,0,0,0,0|2,0,0]=2 534 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [0,0,0,0,0,0|2,0,1]=3 535 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,0,0,0,0,0|3,0,1]=4 536 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [0,0,0,0,0,0|3,0,0]=3 537 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [0,0,0,0,0,0|3,0,0]=3 538 B10R0.74 CCCCOCNC(C)CC 2230a_100000209981_100011995733 [0,0,0,0,0,0|3,0,1]=4 539 B10R0.74 CCCCOCSC(C)CC 62a_100000758301_100011995733 [0,0,0,0,0,0|3,0,1]=4 540 B10R0.74 CCCCOCSC(C)CC 62a_100011995733_100000758301 [0,0,0,0,0,0|3,0,1]=4 541 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,0,0,0,0,0|2,0,0]=2 542 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,0,0,0,0,0|2,0,0]=2 543 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,0,0,0,0,0|2,0,0]=2 544 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,0,0,0,0,0|2,0,0]=2 545 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,0,0,0,0,0|3,0,0]=3 546 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,0,0,0,0,0|2,0,0]=2 547 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,0,0,0,0,0|2,0,0]=2 548 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,0,0,0,0,0|2,0,0]=2 549 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,0,0,0,0,0|3,0,0]=3 550 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,0,0,0,0,0|3,0,1]=4 551 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,0,0,0,0,0|2,0,2]=4 552 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,0,0,0,0,0|2,0,0]=2 553 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,0,0,0,0,0|3,0,0]=3 554 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,0,0,0,0,0|2,0,0]=2 555 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [0,0,0,0,0,0|2,0,1]=3 556 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [0,0,0,0,0,0|3,0,1]=4 557 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,0,0,0,0,0|2,0,0]=2 558 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,0,0,0,0,0|2,0,0]=2 559 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,0,0,0,0,0|2,0,0]=2 560 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,0,0,0,0,0|2,0,0]=2 561 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,0,0,0,0,0|2,0,0]=2 562 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,0,0,0,0,0|3,0,0]=3 563 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,0,0,0,0,0|3,0,0]=3 564 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,0,0,0,0,0|3,0,0]=3 565 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,0,0,0,0,0|3,0,0]=3 566 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,0,0,0,0,0|3,0,0]=3 567 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,0,0,0,0,0|3,0,0]=3 568 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,0,0,0,0,0|3,0,0]=3 569 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,0,0,0,0,0|3,0,0]=3 570 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,0,0,0,0,0|3,0,0]=3 571 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [0,0,0,0,0,0|3,0,1]=4 572 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [0,0,0,0,0,0|3,0,1]=4 573 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [0,0,0,0,0,0|3,0,1]=4 574 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,0,0,0,0,0|2,0,0]=2 575 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,0,0,0,0,0|3,0,0]=3 576 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,0,0,0,0,0|3,0,0]=3 577 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [0,0,0,0,0,0|3,0,1]=4 578 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [0,0,0,0,0,0|3,0,1]=4 579 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [0,0,0,0,0,0|3,0,1]=4 580 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [0,0,0,0,0,0|3,0,1]=4 581 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [0,0,0,0,0,0|3,0,1]=4 582 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,0,0,0,0,0|2,0,2]=4 583 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,0,0,0,0,0|2,0,2]=4 584 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,0,0,0,0,0|2,0,0]=2 585 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,0,0,0,0,0|2,0,0]=2 586 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,0,0,0,0,0|2,0,0]=2 587 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,0,0,0,0,0|2,0,0]=2 588 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [0,0,0,0,0,0|3,0,0]=3 589 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,0,0,0,0,0|2,0,0]=2 590 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,0,0,0,0,0|2,0,0]=2 591 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,0,0,0,0,0|2,0,0]=2 592 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,0,0,0,0,0|3,0,0]=3 593 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,0,0,0,0,0|3,0,0]=3 594 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,0,0,0,0,0|3,0,0]=3 595 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,0,0,0,0,0|3,0,0]=3 596 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,0,0,0,0,0|3,0,0]=3 597 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,0,0,0,0,0|3,0,0]=3 598 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,0,0,0,0,0|3,0,0]=3 599 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,0,0,0,0,0|3,0,0]=3 600 B10R0.74 CCCSCCNC(C)CC 2230a_100020603323_100000758301 [0,0,0,0,0,0|3,0,1]=4 601 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,0,0,0,0,0|3,0,0]=3 602 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,0,0,0,0,0|3,0,0]=3 603 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [0,0,0,0,0,0|3,0,1]=4 604 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [0,0,0,0,0,0|3,0,1]=4 605 B10R0.74 CCN(C)CCCCCC#N 2230a_100000225621_100009813376 [0,0,0,0,0,0|3,0,1]=4 606 B10R0.74 CCN(C)CCCCCC#N 269982a_100000225621_100009813376 [0,0,0,0,0,0|3,0,1]=4 607 B10R0.74 CCN(C)CCCCCC=O 2230a_100000225621_100000139337 [0,0,0,0,0,0|3,0,1]=4 608 B10R0.74 CCN(C)CCCCCC=O 269982a_100000225621_100000139337 [0,0,0,0,0,0|3,0,1]=4 609 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [0,0,0,0,0,0|3,0,0]=3 610 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [0,0,0,0,0,0|3,0,0]=3 611 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [0,0,0,0,0,0|3,0,0]=3 612 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [0,0,0,0,0,0|3,0,0]=3 613 B10R0.74 CCN(C)CCCNCCO 2230a_100016997473_100015186262 [0,0,0,0,0,0|4,0,0]=4 614 B10R0.74 CCN(C)CCCSCCF 62a_100011217306_100015186262 [0,0,0,0,0,0|4,0,0]=4 615 B10R0.74 CCN(C)CCCSCCO 62a_100000211926_100015186262 [0,0,0,0,0,0|4,0,0]=4 616 B10R0.74 CCN(C)CCCSCOC 62a_100000766300_100015186262 [0,0,0,0,0,0|4,0,0]=4 617 B10R0.74 CCN(C)CCCSCSC 62a_100011218213_100015186262 [0,0,0,0,0,0|4,0,0]=4 618 B10R0.74 CCN(C)CCOCCOC 2230a_100000225621_100000695917 [0,0,0,0,0,0|4,0,0]=4 619 B10R0.74 CCN(C)CCOCCOC 269982a_100000225621_100000695917 [0,0,0,0,0,0|4,0,0]=4 620 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,0,0,0,0,0|2,0,0]=2 621 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,0,0,0,0,0|3,0,0]=3 622 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,0,0,0,0,0|3,0,1]=4 623 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,0,0,0,0,0|2,0,0]=2 624 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,0,0,0,0,0|2,0,0]=2 625 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,0,0,0,0,0|2,0,0]=2 626 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,0,0,0,0,0|2,0,0]=2 627 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,0,0,0,0,0|2,0,0]=2 628 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,0,0,0,0,0|2,0,0]=2 629 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,0,0,0,0,0|2,0,0]=2 630 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,0,0,0,0,0|3,0,0]=3 631 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,0,0,0,0,0|3,0,0]=3 632 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,0,0,0,0,0|3,0,0]=3 633 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,0,0,0,0,0|3,0,0]=3 634 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,0,0,0,0,0|3,0,0]=3 635 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,0,0,0,0,0|3,0,0]=3 636 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,0,0,0,0,0|3,0,0]=3 637 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,0,0,0,0,0|3,0,0]=3 638 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [0,0,0,0,0,0|3,0,1]=4 639 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [0,0,0,0,0,0|3,0,1]=4 640 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [0,0,0,0,0,0|3,0,1]=4 641 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [0,0,0,0,0,0|3,0,1]=4 642 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [0,0,0,0,0,0|3,0,1]=4 643 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [0,0,0,0,0,0|3,0,1]=4 644 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [0,0,0,0,0,0|3,0,1]=4 645 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [0,0,0,0,0,0|3,0,1]=4 646 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,0,0,0,0,0|3,0,0]=3 647 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,0,0,0,0,0|3,0,0]=3 648 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,0,0,0,0,0|3,0,0]=3 649 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,0,0,0,0,0|3,0,0]=3 650 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,0,0,0,0,0|3,0,0]=3 651 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [0,0,0,0,0,0|3,0,1]=4 652 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [0,0,0,0,0,0|3,0,1]=4 653 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [0,0,0,0,0,0|3,0,1]=4 654 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [0,0,0,0,0,0|3,0,1]=4 655 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,0,0,0,0,0|2,0,2]=4 656 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,0,0,0,0,0|2,0,2]=4 657 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,0,0,0,0,0|2,0,2]=4 658 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [0,0,0,0,0,0|3,0,1]=4 659 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [0,0,0,0,0,0|3,0,1]=4 660 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [0,0,0,0,0,0|3,0,0]=3 661 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,0,0,0,0,0|4,0,0]=4 662 B10R0.74 CCOCCNNC(=O)NC 273464a_100102657272_100000732670 [0,0,0,0,0,0|4,0,0]=4 663 B10R0.74 CCOCCNNC(=O)NC 512a_100000732670_100102657272 [0,0,0,0,0,0|4,0,0]=4 664 B10R0.74 CCOCCNNC(=O)NC 512a_106832991638_100000732670 [0,0,0,0,0,0|4,0,0]=4 665 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,0,0,0,0,0|2,0,0]=2 666 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,0,0,0,0,0|2,0,0]=2 667 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,0,0,0,0,0|3,0,0]=3 668 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,0,0,0,0,0|3,0,0]=3 669 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,0,0,0,0,0|3,0,0]=3 670 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,0,0,0,0,0|3,0,0]=3 671 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,0,0,0,0,0|3,0,0]=3 672 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,0,0,0,0,0|3,0,0]=3 673 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [0,0,0,0,0,0|3,0,1]=4 674 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [0,0,0,0,0,0|3,0,1]=4 675 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [0,0,0,0,0,0|2,0,2]=4 676 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [0,0,0,0,0,0|2,0,2]=4 677 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [0,0,0,0,0,0|3,0,1]=4 678 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [0,0,0,0,0,0|3,0,1]=4 679 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [0,0,0,0,0,0|3,0,1]=4 680 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,0,0,0,0,0|2,0,0]=2 681 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,0,0,0,0,0|2,0,0]=2 682 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,0,0,0,0,0|3,0,0]=3 683 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,0,0,0,0,0|3,0,0]=3 684 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,0,0,0,0,0|3,0,0]=3 685 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,0,0,0,0,0|3,0,0]=3 686 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [0,0,0,0,0,0|3,0,1]=4 687 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [0,0,0,0,0,0|3,0,1]=4 688 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [0,0,0,0,0,0|2,0,2]=4 689 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [0,0,0,0,0,0|2,0,2]=4 690 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [0,0,0,0,0,0|3,0,1]=4 691 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [0,0,0,0,0,0|3,0,1]=4 692 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,0,0,0,0,0|3,0,0]=3 693 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,0,0,0,0,0|3,0,0]=3 694 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,0,0,0,0,0|3,0,0]=3 695 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,0,0,0,0,0|3,0,0]=3 696 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,0,0,0,0,0|4,0,0]=4 697 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,0,0,0,0,0|2,0,0]=2 698 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,0,0,0,0,0|2,0,0]=2 699 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [0,0,0,0,0,0|3,0,1]=4 700 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [0,0,0,0,0,0|3,0,1]=4 701 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,0,0,0,0,0|3,0,0]=3 702 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,0,0,0,0,0|3,0,0]=3 703 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,0,0,0,0,0|3,0,0]=3 704 B10R0.74 CCSCCNCC(C)CC 2230a_100000106463_100000748023 [0,0,0,0,0,0|3,0,1]=4 705 B10R0.74 CCSCCNCC(C)CC 2230a_100020588543_100000757381 [0,0,0,0,0,0|3,0,1]=4 706 B10R0.74 CCSCCNCC(C)CC 270004a_100000106463_100000243153 [0,0,0,0,0,0|3,0,1]=4 707 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,0,0,0,0,0|2,0,2]=4 708 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,0,0,0,0,0|2,0,2]=4 709 B10R0.74 CCSCCNC[C@@H](C)CC 2230a_100000106463_100009816398 [0,0,0,0,0,0|3,0,1]=4 710 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,0,0,0,0,0|2,0,0]=2 711 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,0,0,0,0,0|2,0,0]=2 712 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,0,0,0,0,0|3,0,0]=3 713 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,0,0,0,0,0|3,0,0]=3 714 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,0,0,0,0,0|3,0,0]=3 715 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,0,0,0,0,0|3,0,0]=3 716 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,0,0,0,0,0|3,0,0]=3 717 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,0,0,0,0,0|3,0,0]=3 718 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,0,0,0,0,0|3,0,0]=3 719 B10R0.74 CCSCCOCC(C)CC 34a_100000212035_100000748023 [0,0,0,0,0,0|3,0,1]=4 720 B10R0.74 CCSCCOCC(C)CC 7a_100000212035_100000748023 [0,0,0,0,0,0|3,0,1]=4 721 B10R0.74 CCSCCOCC(O)CC 34a_100000212035_100011218378 [0,0,0,0,0,0|2,0,2]=4 722 B10R0.74 CCSCCOCC(O)CC 7a_100000212035_100011218378 [0,0,0,0,0,0|2,0,2]=4 723 B10R0.74 CCSCCOC[C@@H](C)CC 34a_100000212035_100009816398 [0,0,0,0,0,0|3,0,1]=4 724 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100000212035_100009816398 [0,0,0,0,0,0|3,0,1]=4 725 B10R0.74 CCSCCOC[C@@H](C)CC 7a_100009816381_100000757381 [0,0,0,0,0,0|3,0,1]=4 726 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,0,0,0,0,0|2,0,0]=2 727 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,0,0,0,0,0|2,0,0]=2 728 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,0,0,0,0,0|3,0,0]=3 729 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,0,0,0,0,0|3,0,0]=3 730 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,0,0,0,0,0|3,0,0]=3 731 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,0,0,0,0,0|3,0,0]=3 732 B10R0.74 CCSCCSCC(C)CC 62a_100000748023_100000757381 [0,0,0,0,0,0|3,0,1]=4 733 B10R0.74 CCSCCSCC(C)CC 62a_100000757381_100000748023 [0,0,0,0,0,0|3,0,1]=4 734 B10R0.74 CCSCCSCC(O)CC 62a_100000757381_100011218378 [0,0,0,0,0,0|2,0,2]=4 735 B10R0.74 CCSCCSCC(O)CC 62a_100011218378_100000757381 [0,0,0,0,0,0|2,0,2]=4 736 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100000757381_100009816398 [0,0,0,0,0,0|3,0,1]=4 737 B10R0.74 CCSCCSC[C@@H](C)CC 62a_100009816398_100000757381 [0,0,0,0,0,0|3,0,1]=4 738 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,0,0,0,0,0|3,0,1]=4 739 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,0,0,0,0,0|3,0,1]=4 740 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,0,0,0,0,0|3,0,1]=4 741 B10R0.74 CC[C@H](C)CNCCCSC 2230a_100000749238_100009816398 [0,0,0,0,0,0|3,0,1]=4 742 B10R0.74 CC[C@H](C)COCCCCBr 34a_100011216708_100009816398 [0,0,0,0,0,0|3,0,1]=4 743 B10R0.74 CC[C@H](C)COCCCCCl 34a_100000210776_100009816398 [0,0,0,0,0,0|3,0,1]=4 744 B10R0.74 CC[C@H](C)COCCCCCl 7a_100000210776_100009816398 [0,0,0,0,0,0|3,0,1]=4 745 B10R0.74 CC[C@H](C)COCCCCF 34a_100011995726_100009816398 [0,0,0,0,0,0|3,0,1]=4 746 B10R0.74 CC[C@H](C)COCCCCF 7a_100009816381_100000729493 [0,0,0,0,0,0|3,0,1]=4 747 B10R0.74 CC[C@H](C)COCCCCF 7a_100011995726_100009816398 [0,0,0,0,0,0|3,0,1]=4 748 B10R0.74 CC[C@H](C)COCCCCI 34a_200012148704_100009816398 [0,0,0,0,0,0|3,0,1]=4 749 B10R0.74 CC[C@H](C)COCCCCN 34a_100000750430_100009816398 [0,0,0,0,0,0|3,0,1]=4 750 B10R0.74 CC[C@H](C)COCCCCO 7a_100009816381_100000210776 [0,0,0,0,0,0|3,0,1]=4 751 B10R0.74 CC[C@H](C)COCCCNC 34a_100000213112_100009816398 [0,0,0,0,0,0|3,0,1]=4 752 B10R0.74 CC[C@H](C)COCCCOC 34a_100000740835_100009816398 [0,0,0,0,0,0|3,0,1]=4 753 B10R0.74 CC[C@H](C)COCCCOC 7a_100009816381_100000740836 [0,0,0,0,0,0|3,0,1]=4 754 B10R0.74 CC[C@H](C)COCCCSC 34a_100000690336_100009816398 [0,0,0,0,0,0|3,0,1]=4 755 B10R0.74 CC[C@H](C)COCCCSC 7a_100000690336_100009816398 [0,0,0,0,0,0|3,0,1]=4 756 B10R0.74 CC[C@H](C)CSCCCCF 62a_100000729493_100009816398 [0,0,0,0,0,0|3,0,1]=4 757 B10R0.74 CC[C@H](C)CSCCCCF 62a_100009816398_100000729493 [0,0,0,0,0,0|3,0,1]=4 758 B10R0.74 CC[C@H](C)CSCCCCO 62a_100000210776_100009816398 [0,0,0,0,0,0|3,0,1]=4 759 B10R0.74 CC[C@H](C)CSCCCCO 62a_100009816398_100000210776 [0,0,0,0,0,0|3,0,1]=4 760 B10R0.74 CC[C@H](C)CSCCCOC 62a_100000709357_100009816398 [0,0,0,0,0,0|3,0,1]=4 761 B10R0.74 CC[C@H](C)CSCCCOC 62a_100009816398_100000709357 [0,0,0,0,0,0|3,0,1]=4 762 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,0,0,0,0,0|2,0,0]=2 763 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,0,0,0,0,0|2,0,0]=2 764 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 765 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 766 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,0,0,0,0,0|2,0,0]=2 767 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 11a_106832991635_100000070148 [0,0,0,0,0,0|4,0,0]=4 768 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 240690a_100102657272_100000070148 [0,0,0,0,0,0|4,0,0]=4 769 B10R0.74 CNC(=O)CCCCN=[N+]=[N-] 527a_100102657272_100000070148 [0,0,0,0,0,0|4,0,0]=4 770 B10R0.74 CNC(=O)CCCNCC#N 2230a_100000740002_100011215382 [0,0,0,0,0,0|3,0,1]=4 771 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,0,0,0,0,0|3,0,1]=4 772 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,0,0,0,0,0|3,0,1]=4 773 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,0,0,0,0,0|3,0,0]=3 774 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,0,0,0,0,0|3,0,0]=3 775 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,0,0,0,0,0|3,0,0]=3 776 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,0,0,0,0,0|3,0,0]=3 777 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,0,0,0,0,0|3,0,0]=3 778 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,0,0,0,0,0|3,0,0]=3 779 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,0,0,0,0,0|3,0,0]=3 780 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,0,0,0,0,0|3,0,0]=3 781 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,0,0,0,0,0|3,0,0]=3 782 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,0,0,0,0,0|3,0,0]=3 783 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,0,0,0,0,0|3,0,0]=3 784 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,0,0,0,0,0|3,0,0]=3 785 B10R0.74 CNC(=O)CCCSCC#N 62a_100000741757_100011215382 [0,0,0,0,0,0|3,0,1]=4 786 B10R0.74 CNC(=O)CCCSCC#N 62a_100011215382_100000741757 [0,0,0,0,0,0|3,0,1]=4 787 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,0,0,0,0,0|3,0,1]=4 788 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,0,0,0,0,0|3,0,1]=4 789 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,0,0,0,0,0|3,0,0]=3 790 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,0,0,0,0,0|3,0,0]=3 791 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,0,0,0,0,0|3,0,0]=3 792 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,0,0,0,0,0|3,0,0]=3 793 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,0,0,0,0,0|3,0,0]=3 794 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,0,0,0,0,0|3,0,0]=3 795 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,0,0,0,0,0|3,0,0]=3 796 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,0,0,0,0,0|3,0,0]=3 797 B10R0.74 CNC(=O)CCNCCC#N 2230a_100000738227_100011215226 [0,0,0,0,0,0|3,0,1]=4 798 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,0,0,0,0,0|3,0,0]=3 799 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,0,0,0,0,0|3,0,0]=3 800 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,0,0,0,0,0|3,0,0]=3 801 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,0,0,0,0,0|3,0,0]=3 802 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,0,0,0,0,0|3,0,0]=3 803 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,0,0,0,0,0|3,0,0]=3 804 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,0,0,0,0,0|3,0,0]=3 805 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,0,0,0,0,0|3,0,0]=3 806 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,0,0,0,0,0|3,0,0]=3 807 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,0,0,0,0,0|3,0,0]=3 808 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,0,0,0,0,0|3,0,0]=3 809 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,0,0,0,0,0|3,0,0]=3 810 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,0,0,0,0,0|3,0,0]=3 811 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,0,0,0,0,0|3,0,0]=3 812 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,0,0,0,0,0|3,0,0]=3 813 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,0,0,0,0,0|3,0,0]=3 814 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,0,0,0,0,0|3,0,0]=3 815 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,0,0,0,0,0|3,0,0]=3 816 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,0,0,0,0,0|3,0,0]=3 817 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 818 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 819 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,0,0,0,0,0|3,0,0]=3 820 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,0,0,0,0,0|3,0,0]=3 821 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,0,0,0,0,0|3,0,0]=3 822 B10R0.74 CNC(=O)CCOCCON 34a_100000700252_100012179268 [0,0,0,0,0,0|4,0,0]=4 823 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,0,0,0,0,0|3,0,0]=3 824 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,0,0,0,0,0|3,0,0]=3 825 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,0,0,0,0,0|3,0,0]=3 826 B10R0.74 CNC(=O)CCSCCC#N 62a_100000737683_100011215226 [0,0,0,0,0,0|3,0,1]=4 827 B10R0.74 CNC(=O)CCSCCC#N 62a_100011215226_100000737683 [0,0,0,0,0,0|3,0,1]=4 828 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,0,0,0,0,0|3,0,0]=3 829 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,0,0,0,0,0|3,0,0]=3 830 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,0,0,0,0,0|3,0,0]=3 831 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,0,0,0,0,0|3,0,0]=3 832 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,0,0,0,0,0|3,0,0]=3 833 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,0,0,0,0,0|3,0,0]=3 834 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,0,0,0,0,0|3,0,0]=3 835 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,0,0,0,0,0|3,0,0]=3 836 B10R0.74 CNC(=O)CNCCCC#N 2230a_100000693194_100000687738 [0,0,0,0,0,0|3,0,1]=4 837 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,0,0,0,0,0|3,0,1]=4 838 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,0,0,0,0,0|3,0,0]=3 839 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,0,0,0,0,0|3,0,0]=3 840 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 841 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 842 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,0,0,0,0,0|3,0,0]=3 843 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,0,0,0,0,0|3,0,0]=3 844 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,0,0,0,0,0|3,0,0]=3 845 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,0,0,0,0,0|3,0,0]=3 846 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 847 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 848 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,0,0,0,0,0|3,0,0]=3 849 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,0,0,0,0,0|3,0,0]=3 850 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,0,0,0,0,0|3,0,0]=3 851 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,0,0,0,0,0|3,0,0]=3 852 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,0,0,0,0,0|3,0,0]=3 853 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,0,0,0,0,0|3,0,0]=3 854 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,0,0,0,0,0|3,0,0]=3 855 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,0,0,0,0,0|3,0,0]=3 856 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,0,0,0,0,0|3,0,0]=3 857 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,0,0,0,0,0|3,0,0]=3 858 B10R0.74 CNC(=O)CSCCCC#N 62a_100000183359_100000687738 [0,0,0,0,0,0|3,0,1]=4 859 B10R0.74 CNC(=O)CSCCCC#N 62a_100000687738_100000183359 [0,0,0,0,0,0|3,0,1]=4 860 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,0,0,0,0,0|3,0,1]=4 861 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,0,0,0,0,0|3,0,1]=4 862 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,0,0,0,0,0|3,0,0]=3 863 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,0,0,0,0,0|3,0,0]=3 864 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,0,0,0,0,0|3,0,0]=3 865 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,0,0,0,0,0|3,0,0]=3 866 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,0,0,0,0,0|3,0,0]=3 867 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,0,0,0,0,0|3,0,0]=3 868 B10R0.74 CNC(=O)NCCCCC#N 2708a_100000751965_106832991635 [0,0,0,0,0,0|3,0,1]=4 869 B10R0.74 CNC(=O)NCCCCC#N 2708a_100102657272_100000751965 [0,0,0,0,0,0|3,0,1]=4 870 B10R0.74 CNC(=O)NCCCCC#N 273464a_100000751965_100102657272 [0,0,0,0,0,0|3,0,1]=4 871 B10R0.74 CNC(=O)NCCCCC#N 273464a_100102657272_100000751965 [0,0,0,0,0,0|3,0,1]=4 872 B10R0.74 CNC(=O)NCCCCC#N 512a_100000751965_100102657272 [0,0,0,0,0,0|3,0,1]=4 873 B10R0.74 CNC(=O)NCCCCC#N 512a_106832991638_100000751965 [0,0,0,0,0,0|3,0,1]=4 874 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,0,0,0,0,0|3,0,0]=3 875 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,0,0,0,0,0|3,0,0]=3 876 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,0,0,0,0,0|3,0,0]=3 877 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,0,0,0,0,0|3,0,0]=3 878 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,0,0,0,0,0|3,0,0]=3 879 B10R0.74 CNC(=O)NCCNCCF 34a_100015205895_100011217306 [0,0,0,0,0,0|4,0,0]=4 880 B10R0.74 CNC(=O)NCCNCCO 34a_100015205895_100000211926 [0,0,0,0,0,0|4,0,0]=4 881 B10R0.74 CNC(=O)NCCNCSC 34a_100015205895_100011218213 [0,0,0,0,0,0|4,0,0]=4 882 B10R0.74 CNC(=O)NCCOCCO 2708a_100102657272_100000211614 [0,0,0,0,0,0|4,0,0]=4 883 B10R0.74 CNC(=O)NCCOCCO 273464a_100000211614_100102657272 [0,0,0,0,0,0|4,0,0]=4 884 B10R0.74 CNC(=O)NCCOCCO 273464a_100102657272_100000211614 [0,0,0,0,0,0|4,0,0]=4 885 B10R0.74 CNC(=O)NCCOCCO 512a_100000211614_100102657272 [0,0,0,0,0,0|4,0,0]=4 886 B10R0.74 CNC(=O)NCCSCCO 2708a_100102657272_100011219999 [0,0,0,0,0,0|4,0,0]=4 887 B10R0.74 CNC(=O)NCCSCCO 273464a_100011219999_100102657272 [0,0,0,0,0,0|4,0,0]=4 888 B10R0.74 CNC(=O)NCCSCCO 273464a_100102657272_100011219999 [0,0,0,0,0,0|4,0,0]=4 889 B10R0.74 CNC(=O)NCCSCCO 512a_100011219999_100102657272 [0,0,0,0,0,0|4,0,0]=4 890 B10R0.74 CNC(=O)NCCSCCO 512a_106832991638_100011219999 [0,0,0,0,0,0|4,0,0]=4 891 B10R0.74 CNC(=O)NNCCCOC 273464a_100102657272_100025702787 [0,0,0,0,0,0|4,0,0]=4 892 B10R0.74 CNC(=O)NNCCCOC 512a_106832991638_100025702787 [0,0,0,0,0,0|4,0,0]=4 893 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,0,0,0,0,0|4,0,0]=4 894 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,0,0,0,0,0|4,0,0]=4 895 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,0,0,0,0,0|4,0,0]=4 896 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,0,0,0,0,0|4,0,0]=4 897 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,0,0,0,0,0|4,0,0]=4 898 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,0,0,0,0,0|4,0,0]=4 899 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,0,0,0,0,0|4,0,0]=4 900 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,0,0,0,0,0|4,0,0]=4 901 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,0,0,0,0,0|4,0,0]=4 902 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,0,0,0,0,0|4,0,0]=4 903 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,0,0,0,0,0|4,0,0]=4 904 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,0,0,0,0,0|4,0,0]=4 905 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,0,0,0,0,0|2,0,0]=2 906 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,0,0,0,0,0|2,0,0]=2 907 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,0,0,0,0,0|2,0,0]=2 908 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,0,0,0,0,0|3,0,0]=3 909 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,0,0,0,0,0|3,0,0]=3 910 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,0,0,0,0,0|2,0,0]=2 911 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,0,0,0,0,0|2,0,0]=2 912 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,0,0,0,0,0|2,0,0]=2 913 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,0,0,0,0,0|2,0,0]=2 914 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,0,0,0,0,0|2,0,0]=2 915 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,0,0,0,0,0|2,0,0]=2 916 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,0,0,0,0,0|3,0,0]=3 917 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,0,0,0,0,0|3,0,0]=3 918 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,0,0,0,0,0|3,0,0]=3 919 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,0,0,0,0,0|3,0,0]=3 920 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,0,0,0,0,0|3,0,0]=3 921 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,0,0,0,0,0|3,0,0]=3 922 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,0,0,0,0,0|3,0,0]=3 923 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,0,0,0,0,0|3,0,0]=3 924 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,0,0,0,0,0|3,0,0]=3 925 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,0,0,0,0,0|3,0,1]=4 926 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,0,0,0,0,0|3,0,1]=4 927 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,0,0,0,0,0|3,0,1]=4 928 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,0,0,0,0,0|3,0,1]=4 929 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,0,0,0,0,0|3,0,0]=3 930 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,0,0,0,0,0|3,0,0]=3 931 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,0,0,0,0,0|3,0,0]=3 932 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,0,0,0,0,0|3,0,0]=3 933 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,0,0,0,0,0|3,0,0]=3 934 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,0,0,0,0,0|3,0,0]=3 935 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,0,0,0,0,0|3,0,0]=3 936 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,0,0,0,0,0|3,0,0]=3 937 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,0,0,0,0,0|3,0,0]=3 938 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,0,0,0,0,0|3,0,0]=3 939 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,0,0,0,0,0|3,0,0]=3 940 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,0,0,0,0,0|3,0,0]=3 941 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,0,0,0,0,0|3,0,0]=3 942 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,0,0,0,0,0|4,0,0]=4 943 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,0,0,0,0,0|3,0,0]=3 944 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,0,0,0,0,0|3,0,0]=3 945 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,0,0,0,0,0|3,0,1]=4 946 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,0,0,0,0,0|3,0,1]=4 947 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,0,0,0,0,0|3,0,0]=3 948 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,0,0,0,0,0|3,0,0]=3 949 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,0,0,0,0,0|3,0,0]=3 950 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,0,0,0,0,0|3,0,0]=3 951 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,0,0,0,0,0|3,0,0]=3 952 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,0,0,0,0,0|3,0,0]=3 953 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,0,0,0,0,0|3,0,0]=3 954 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,0,0,0,0,0|3,0,0]=3 955 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,0,0,0,0,0|3,0,0]=3 956 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,0,0,0,0,0|3,0,0]=3 957 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,0,0,0,0,0|3,0,0]=3 958 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,0,0,0,0,0|3,0,0]=3 959 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,0,0,0,0,0|3,0,0]=3 960 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,0,0,0,0,0|3,0,0]=3 961 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,0,0,0,0,0|3,0,0]=3 962 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,0,0,0,0,0|3,0,0]=3 963 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,0,0,0,0,0|3,0,0]=3 964 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,0,0,0,0,0|3,0,0]=3 965 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,0,0,0,0,0|4,0,0]=4 966 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,0,0,0,0,0|4,0,0]=4 967 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,0,0,0,0,0|3,0,1]=4 968 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,0,0,0,0,0|3,0,1]=4 969 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,0,0,0,0,0|3,0,1]=4 970 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,0,0,0,0,0|3,0,1]=4 971 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,0,0,0,0,0|3,0,0]=3 972 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,0,0,0,0,0|3,0,0]=3 973 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,0,0,0,0,0|3,0,0]=3 974 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,0,0,0,0,0|3,0,0]=3 975 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,0,0,0,0,0|4,0,0]=4 976 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,0,0,0,0,0|4,0,0]=4 977 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,0,0,0,0,0|4,0,0]=4 978 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,0,0,0,0,0|4,0,0]=4 979 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,0,0,0,0,0|4,0,0]=4 980 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,0,0,0,0,0|4,0,0]=4 981 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,0,0,0,0,0|4,0,0]=4 982 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,0,0,0,0,0|4,0,0]=4 983 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,0,0,0,0,0|4,0,0]=4 984 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,0,0,0,0,0|2,0,0]=2 985 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,0,0,0,0,0|2,0,0]=2 986 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,0,0,0,0,0|2,0,0]=2 987 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,0,0,0,0,0|2,0,0]=2 988 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,0,0,0,0,0|3,0,0]=3 989 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,0,0,0,0,0|4,0,0]=4 990 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,0,0,0,0,0|3,0,0]=3 991 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,0,0,0,0,0|3,0,0]=3 992 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,0,0,0,0,0|3,0,0]=3 993 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,0,0,0,0,0|3,0,0]=3 994 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,0,0,0,0,0|3,0,0]=3 995 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,0,0,0,0,0|3,0,0]=3 996 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,0,0,0,0,0|3,0,0]=3 997 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,0,0,0,0,0|3,0,0]=3 998 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,0,0,0,0,0|3,0,0]=3 999 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,0,0,0,0,0|4,0,0]=4 1000 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,0,0,0,0,0|3,0,0]=3 1001 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,0,0,0,0,0|3,0,0]=3 1002 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,0,0,0,0,0|4,0,0]=4 1003 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,0,0,0,0,0|2,0,1]=3 1004 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,0,0,0,0,0|3,0,1]=4 1005 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,0,0,0,0,0|3,0,1]=4 1006 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,0,0,0,0,0|4,0,0]=4 1007 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,0,0,0,0,0|4,0,0]=4 1008 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,0,0,0,0,0|2,0,0]=2 1009 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,0,0,0,0,0|2,0,0]=2 1010 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,0,0,0,0,0|2,0,0]=2 1011 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,0,0,0,0,0|3,0,0]=3 1012 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,0,0,0,0,0|4,0,0]=4 1013 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,0,0,0,0,0|4,0,0]=4 1014 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,0,0,0,0,0|4,0,0]=4 1015 B10R0.74 [N-]=[N+]=NCCCCC(=O)CF 1458a_100000070148_100015361967 [0,0,0,0,0,0|4,0,0]=4 1016 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|0,0,2]=3 1017 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|0,0,2]=3 1018 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|0,0,2]=3 1019 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 1020 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 1021 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 1022 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [1,0,0,0,0,0|1,0,2]=4 1023 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [1,0,0,0,0,0|1,0,2]=4 1024 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [1,0,0,0,0,0|1,0,2]=4 1025 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [1,0,0,0,0,0|1,0,2]=4 1026 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [1,0,0,0,0,0|1,0,2]=4 1027 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [1,0,0,0,0,0|1,0,2]=4 1028 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [1,0,0,0,0,0|1,0,2]=4 1029 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [1,0,0,0,0,0|1,0,2]=4 1030 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [1,0,0,0,0,0|1,0,2]=4 1031 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [1,0,0,0,0,0|1,0,2]=4 1032 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [1,0,0,0,0,0|1,0,2]=4 1033 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [1,0,0,0,0,0|1,0,2]=4 1034 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [1,0,0,0,0,0|1,0,2]=4 1035 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [1,0,0,0,0,0|1,0,2]=4 1036 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [1,0,0,0,0,0|1,0,2]=4 1037 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,0,0,0,0,0|2,0,1]=4 1038 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|2,0,0]=3 1039 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|2,0,0]=3 1040 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [1,0,0,0,0,0|3,0,0]=4 1041 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [1,0,0,0,0,0|3,0,0]=4 1042 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [1,0,0,0,0,0|3,0,0]=4 1043 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [1,0,0,0,0,0|3,0,0]=4 1044 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [1,0,0,0,0,0|3,0,0]=4 1045 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|2,0,0]=3 1046 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|2,0,0]=3 1047 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|2,0,0]=3 1048 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [1,0,0,0,0,0|3,0,0]=4 1049 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [1,0,0,0,0,0|3,0,0]=4 1050 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [1,0,0,0,0,0|3,0,0]=4 1051 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [1,0,0,0,0,0|3,0,0]=4 1052 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,0,0,0,0,0|3,0,0]=4 1053 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [1,0,0,0,0,0|3,0,0]=4 1054 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [1,0,0,0,0,0|3,0,0]=4 1055 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [1,0,0,0,0,0|3,0,0]=4 1056 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [1,0,0,0,0,0|3,0,0]=4 1057 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [1,0,0,0,0,0|3,0,0]=4 1058 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|2,0,0]=3 1059 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|2,0,0]=3 1060 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [1,0,0,0,0,0|3,0,0]=4 1061 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [1,0,0,0,0,0|3,0,0]=4 1062 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,0,0,0,0,0|3,0,0]=4 1063 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,0,0,0,0,0|3,0,0]=4 1064 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [1,0,0,0,0,0|3,0,0]=4 1065 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [1,0,0,0,0,0|3,0,0]=4 1066 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [1,0,0,0,0,0|3,0,0]=4 1067 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [1,0,0,0,0,0|3,0,0]=4 1068 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [1,0,0,0,0,0|3,0,0]=4 1069 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [1,0,0,0,0,0|3,0,0]=4 1070 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|2,0,0]=3 1071 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 1072 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 1073 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [1,0,0,0,0,0|3,0,0]=4 1074 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [1,0,0,0,0,0|3,0,0]=4 1075 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [1,0,0,0,0,0|3,0,0]=4 1076 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [1,0,0,0,0,0|3,0,0]=4 1077 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [1,0,0,0,0,0|3,0,0]=4 1078 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [1,0,0,0,0,0|3,0,0]=4 1079 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|2,0,0]=3 1080 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|2,0,0]=3 1081 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|2,0,0]=3 1082 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [1,0,0,0,0,0|3,0,0]=4 1083 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [1,0,0,0,0,0|3,0,0]=4 1084 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [1,0,0,0,0,0|3,0,0]=4 1085 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [1,0,0,0,0,0|3,0,0]=4 1086 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [1,0,0,0,0,0|3,0,0]=4 1087 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [1,0,0,0,0,0|3,0,0]=4 1088 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 1089 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,0,0,0,0,0|3,0,0]=4 1090 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [1,0,0,0,0,0|3,0,0]=4 1091 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [1,0,0,0,0,0|3,0,0]=4 1092 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [1,0,0,0,0,0|3,0,0]=4 1093 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [1,0,0,0,0,0|3,0,0]=4 1094 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [1,0,0,0,0,0|3,0,0]=4 1095 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [1,0,0,0,0,0|3,0,0]=4 1096 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [1,0,0,0,0,0|3,0,0]=4 1097 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [1,0,0,0,0,0|3,0,0]=4 1098 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [1,0,0,0,0,0|3,0,0]=4 1099 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [1,0,0,0,0,0|3,0,0]=4 1100 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [1,0,0,0,0,0|3,0,0]=4 1101 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|2,0,0]=3 1102 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|2,0,0]=3 1103 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [1,0,0,0,0,0|3,0,0]=4 1104 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [1,0,0,0,0,0|3,0,0]=4 1105 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,0,0,0,0,0|3,0,0]=4 1106 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,0,0,0,0,0|3,0,0]=4 1107 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [1,0,0,0,0,0|3,0,0]=4 1108 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [1,0,0,0,0,0|3,0,0]=4 1109 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [1,0,0,0,0,0|3,0,0]=4 1110 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [1,0,0,0,0,0|3,0,0]=4 1111 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [1,0,0,0,0,0|3,0,0]=4 1112 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [1,0,0,0,0,0|3,0,0]=4 1113 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,0,0,0,0,0|2,0,1]=4 1114 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,0,0,0,0,0|2,0,1]=4 1115 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,0,0,0,0,0|2,0,1]=4 1116 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,0,0,0,0,0|2,0,1]=4 1117 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,0,0,0,0,0|2,0,1]=4 1118 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,0,0,0,0,0|2,0,1]=4 1119 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|0,0,2]=3 1120 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|0,0,2]=3 1121 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|0,0,2]=3 1122 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 1123 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 1124 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 1125 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,0,0,0,0|1,0,2]=4 1126 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [1,0,0,0,0,0|1,0,2]=4 1127 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [1,0,0,0,0,0|1,0,2]=4 1128 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [1,0,0,0,0,0|1,0,2]=4 1129 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,0,0,0,0,0|1,0,2]=4 1130 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,0,0,0,0,0|1,0,2]=4 1131 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,0,0,0,0,0|1,0,2]=4 1132 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,0,0,0,0,0|1,0,2]=4 1133 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,0,0,0,0,0|1,0,2]=4 1134 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [1,0,0,0,0,0|1,0,2]=4 1135 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [1,0,0,0,0,0|1,0,2]=4 1136 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [1,0,0,0,0,0|1,0,2]=4 1137 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [1,0,0,0,0,0|1,0,2]=4 1138 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [1,0,0,0,0,0|1,0,2]=4 1139 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [1,0,0,0,0,0|1,0,2]=4 1140 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|1,0,1]=3 1141 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|1,0,0]=2 1142 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,0]=2 1143 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,0]=2 1144 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [1,0,0,0,0,0|3,0,0]=4 1145 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,0,0,0,0,0|2,0,0]=3 1146 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,0,0,0,0,0|2,0,0]=3 1147 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,0,0,0,0,0|2,0,0]=3 1148 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|2,0,0]=3 1149 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [1,0,0,0,0,0|2,0,1]=4 1150 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,0,0,0,0,0|2,0,1]=4 1151 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,0,0,0,0,0|2,0,1]=4 1152 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,0,0,0,0|2,0,0]=3 1153 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,0,0,0,0|2,0,0]=3 1154 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,0,0,0,0|2,0,0]=3 1155 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|2,0,0]=3 1156 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|2,0,0]=3 1157 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|2,0,0]=3 1158 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [1,0,0,0,0,0|2,0,1]=4 1159 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [1,0,0,0,0,0|2,0,1]=4 1160 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,0,0,0,0,0|2,0,1]=4 1161 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,0,0,0,0,0|2,0,1]=4 1162 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,0,0,0,0,0|2,0,0]=3 1163 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,0,0,0,0,0|2,0,0]=3 1164 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|2,0,0]=3 1165 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|2,0,0]=3 1166 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [1,0,0,0,0,0|2,0,1]=4 1167 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,0,0,0,0,0|2,0,0]=3 1168 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,0,0,0,0,0|2,0,0]=3 1169 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|2,0,0]=3 1170 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|2,0,0]=3 1171 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [1,0,0,0,0,0|2,0,1]=4 1172 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [1,0,0,0,0,0|2,0,1]=4 1173 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|2,0,0]=3 1174 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|2,0,0]=3 1175 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|2,0,0]=3 1176 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|2,0,0]=3 1177 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,0,0,0,0,0|2,0,0]=3 1178 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|2,0,0]=3 1179 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 1180 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 1181 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 1182 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [1,0,0,0,0,0|2,0,1]=4 1183 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,0]=3 1184 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 1185 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 1186 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [1,0,0,0,0,0|3,0,0]=4 1187 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [1,0,0,0,0,0|3,0,0]=4 1188 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [1,0,0,0,0,0|3,0,0]=4 1189 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,0,0,0,0,0|3,0,0]=4 1190 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,0,0,0,0,0|3,0,0]=4 1191 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [1,0,0,0,0,0|3,0,0]=4 1192 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,0,0,0,0,0|3,0,0]=4 1193 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,0,0,0,0,0|3,0,0]=4 1194 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [1,0,0,0,0,0|3,0,0]=4 1195 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [1,0,0,0,0,0|3,0,0]=4 1196 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,0,0,0,0|3,0,0]=4 1197 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,0,0,0,0|3,0,0]=4 1198 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,0,0,0,0|3,0,0]=4 1199 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,0,0,0,0|3,0,0]=4 1200 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|2,0,0]=3 1201 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|2,0,0]=3 1202 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|2,0,0]=3 1203 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|2,0,0]=3 1204 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [1,0,0,0,0,0|3,0,0]=4 1205 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [1,0,0,0,0,0|3,0,0]=4 1206 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [1,0,0,0,0,0|3,0,0]=4 1207 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,0,0,0,0,0|3,0,0]=4 1208 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,0,0,0,0,0|3,0,0]=4 1209 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,0,0,0,0,0|3,0,0]=4 1210 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [1,0,0,0,0,0|3,0,0]=4 1211 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [1,0,0,0,0,0|3,0,0]=4 1212 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [1,0,0,0,0,0|3,0,0]=4 1213 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [1,0,0,0,0,0|3,0,0]=4 1214 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,0,0,0,0|3,0,0]=4 1215 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,0,0,0,0|3,0,0]=4 1216 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [1,0,0,0,0,0|3,0,0]=4 1217 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [1,0,0,0,0,0|3,0,0]=4 1218 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [1,0,0,0,0,0|3,0,0]=4 1219 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [1,0,0,0,0,0|3,0,0]=4 1220 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [1,0,0,0,0,0|3,0,0]=4 1221 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [1,0,0,0,0,0|3,0,0]=4 1222 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [1,0,0,0,0,0|3,0,0]=4 1223 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,0,0,0,0|3,0,0]=4 1224 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,0,0,0,0|3,0,0]=4 1225 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|2,0,0]=3 1226 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|2,0,0]=3 1227 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [1,0,0,0,0,0|3,0,0]=4 1228 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [1,0,0,0,0,0|3,0,0]=4 1229 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 1230 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 1231 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 1232 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 1233 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|2,0,1]=4 1234 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|2,0,1]=4 1235 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,0,0,0,0,0|1,0,2]=4 1236 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [1,0,0,0,0,0|1,0,2]=4 1237 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [1,0,0,0,0,0|1,0,2]=4 1238 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [1,0,0,0,0,0|1,0,2]=4 1239 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [1,0,0,0,0,0|1,0,2]=4 1240 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [1,0,0,0,0,0|1,0,2]=4 1241 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|0,0,2]=3 1242 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|0,0,2]=3 1243 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [1,0,0,0,0,0|2,0,1]=4 1244 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,0,0,0,0|0,0,2]=3 1245 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,0,0,0,0|0,0,2]=3 1246 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|0,0,2]=3 1247 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|0,0,2]=3 1248 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|0,0,0]=1 1249 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|0,0,0]=1 1250 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|0,0,0]=1 1251 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1252 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1253 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1254 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1255 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1256 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1257 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1258 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1259 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1260 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|1,0,0]=2 1261 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 1262 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 1263 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 1264 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 1265 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|2,0,1]=4 1266 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|2,0,1]=4 1267 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|2,0,1]=4 1268 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|2,0,1]=4 1269 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|2,0,0]=3 1270 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|2,0,0]=3 1271 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|2,0,0]=3 1272 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|2,0,1]=4 1273 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|2,0,1]=4 1274 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|2,0,1]=4 1275 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|2,0,1]=4 1276 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|1,0,2]=4 1277 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|1,0,2]=4 1278 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|1,0,2]=4 1279 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|1,0,2]=4 1280 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,0,0,0,0|2,0,0]=3 1281 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|1,0,0]=2 1282 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|2,0,0]=3 1283 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|2,0,0]=3 1284 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|2,0,0]=3 1285 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,0,0,0,0,0|2,0,1]=4 1286 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|2,0,1]=4 1287 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|2,0,1]=4 1288 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|2,0,1]=4 1289 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,0,0,0,0,0|2,0,1]=4 1290 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|1,0,2]=4 1291 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|1,0,2]=4 1292 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,0,0,0,0,0|2,0,1]=4 1293 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|2,0,1]=4 1294 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|1,0,2]=4 1295 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|1,0,2]=4 1296 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,0,0,0,0,0|3,0,0]=4 1297 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|2,0,0]=3 1298 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|2,0,0]=3 1299 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|2,0,0]=3 1300 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|2,0,0]=3 1301 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|2,0,1]=4 1302 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|2,0,1]=4 1303 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|1,0,2]=4 1304 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|1,0,2]=4 1305 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|1,0,2]=4 1306 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|1,0,2]=4 1307 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,0,0,0,0,0|3,0,0]=4 1308 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,0,0,0,0|2,0,1]=4 1309 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,0,0,0,0|2,0,1]=4 1310 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,0,0,0,0|2,0,1]=4 1311 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|1,0,0]=2 1312 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|2,0,0]=3 1313 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|2,0,0]=3 1314 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|2,0,1]=4 1315 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|2,0,1]=4 1316 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|2,0,1]=4 1317 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|1,0,2]=4 1318 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|1,0,2]=4 1319 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|1,0,2]=4 1320 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,0,0,0,0|3,0,0]=4 1322 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 1323 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|2,0,1]=4 1324 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 1325 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|1,0,0]=2 1326 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|1,0,0]=2 1327 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|1,0,0]=2 1328 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|1,0,0]=2 1329 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|2,0,0]=3 1330 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|2,0,0]=3 1331 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|2,0,0]=3 1332 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|2,0,0]=3 1333 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|2,0,1]=4 1334 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|2,0,1]=4 1335 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|2,0,1]=4 1336 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|2,0,1]=4 1337 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|2,0,1]=4 1338 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|1,0,2]=4 1339 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|1,0,2]=4 1340 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1341 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1342 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,0,0,0,0,0|3,0,0]=4 1343 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|2,0,1]=4 1344 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|2,0,0]=3 1345 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,0,0,0,0|2,0,1]=4 1346 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,0,0,0,0|2,0,1]=4 1347 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|1,0,0]=2 1348 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|1,0,0]=2 1349 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|2,0,0]=3 1350 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|2,0,0]=3 1351 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|2,0,1]=4 1352 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|2,0,1]=4 1353 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|1,0,2]=4 1354 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|1,0,2]=4 1355 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,0,0,0,0,0|3,0,0]=4 1356 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|2,0,0]=3 1357 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|2,0,0]=3 1358 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|2,0,0]=3 1359 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 1360 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 1361 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|2,0,0]=3 1362 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|2,0,0]=3 1363 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|2,0,1]=4 1365 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|1,0,0]=2 1366 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|1,0,0]=2 1367 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|1,0,0]=2 1368 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|2,0,0]=3 1369 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|2,0,1]=4 1370 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 1371 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 1372 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|1,0,2]=4 1373 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,0,0,0,0,0|3,0,0]=4 1374 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 1375 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 1376 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|2,0,0]=3 1377 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|2,0,0]=3 1378 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,0,0,0,0|3,0,0]=4 1379 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|2,0,0]=3 1380 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|3,0,0]=4 1381 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|3,0,0]=4 1382 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|2,0,1]=4 1383 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|2,0,1]=4 1384 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|1,0,0]=2 1385 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|1,0,0]=2 1386 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|2,0,0]=3 1387 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|2,0,0]=3 1388 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|2,0,1]=4 1389 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|2,0,1]=4 1390 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|1,0,2]=4 1391 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|1,0,2]=4 1392 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,0,0,0,0,0|3,0,0]=4 1393 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 1394 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 1395 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|2,0,0]=3 1396 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|2,0,0]=3 1397 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|2,0,0]=3 1398 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,0,0,0,0,0|3,0,0]=4 1399 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,0,0,0,0,0|3,0,0]=4 1400 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|2,0,0]=3 1401 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|2,0,0]=3 1402 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|3,0,0]=4 1403 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|3,0,0]=4 1404 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|2,0,0]=3 1405 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|2,0,1]=4 1406 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|2,0,0]=3 1407 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [1,0,0,0,0,0|2,1,0]=4 1408 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|2,0,0]=3 1409 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,0,0,0,0,0|3,0,0]=4 1410 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,0,0,0,0|3,0,0]=4 1411 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|1,0,0]=2 1412 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|2,0,0]=3 1413 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|2,0,0]=3 1414 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 1415 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|2,0,1]=4 1416 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 1417 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,0,0,0,0,0|3,0,0]=4 1418 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,0,0,0,0,0|3,0,0]=4 1419 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1420 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1421 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1422 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|2,0,0]=3 1423 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|2,0,0]=3 1424 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|2,0,0]=3 1425 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [1,0,0,0,0,0|2,1,0]=4 1426 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|2,0,0]=3 1427 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,0,0,0,0,0|3,0,0]=4 1428 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,0,0,0,0,0|3,0,0]=4 1429 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,0,0,0,0,0|3,0,0]=4 1430 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,0,0,0,0|3,0,0]=4 1431 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,0,0,0,0,0|3,0,0]=4 1432 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,0,0,0,0,0|3,0,0]=4 1433 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,0,0,0,0,0|2,0,0]=3 1434 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,0,0,0,0,0|3,0,0]=4 1435 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,0,0,0,0,0|3,0,0]=4 1436 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,0,0,0,0,0|3,0,0]=4 1437 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,0,0,0,0,0|3,0,0]=4 1438 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,0,0,0,0,0|3,0,0]=4 1439 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,0,0,0,0,0|3,0,0]=4 1440 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,0,0,0,0,0|3,0,0]=4 1441 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,0,0,0,0,0|3,0,0]=4 1442 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,0,0,0,0,0|2,0,0]=3 1443 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,0,0,0,0,0|2,0,0]=3 1444 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,0,0,0,0,0|3,0,0]=4 1445 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,0,0,0,0,0|3,0,0]=4 1446 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [1,0,0,0,0,0|3,0,0]=4 1447 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [1,0,0,0,0,0|3,0,0]=4 1448 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|1,0,0]=2 1449 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|1,0,0]=2 1450 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,1]=4 1451 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,1]=4 1452 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,0,0,0,0,0|3,0,0]=4 1453 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|2,0,0]=3 1454 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|2,0,0]=3 1455 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [1,0,0,0,0,0|2,1,0]=4 1456 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [1,0,0,0,0,0|2,1,0]=4 1457 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|2,0,0]=3 1458 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|2,0,0]=3 1459 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,0,0,0,0,0|3,0,0]=4 1460 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,0,0,0,0,0|3,0,0]=4 1461 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,0,0,0,0|3,0,0]=4 1462 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,0,0,0,0,0|2,0,0]=3 1463 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,0,0,0,0,0|3,0,0]=4 1464 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,0,0,0,0,0|3,0,0]=4 1465 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,0,0,0,0,0|3,0,0]=4 1466 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,0,0,0,0,0|3,0,0]=4 1467 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,0,0,0,0,0|3,0,0]=4 1468 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,0,0,0,0,0|3,0,0]=4 1469 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,0,0,0,0,0|3,0,0]=4 1470 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,0,0,0,0,0|3,0,0]=4 1471 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,0,0,0,0,0|3,0,0]=4 1472 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 1473 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 1474 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 1475 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 1476 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 1477 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|2,0,0]=3 1478 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 1479 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 1480 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 1481 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 1482 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,1]=4 1483 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 1484 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 1485 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 1486 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|2,0,0]=3 1487 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|2,0,0]=3 1488 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 1489 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|2,0,0]=3 1490 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|2,0,0]=3 1491 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,0,0,0,0,0|3,0,0]=4 1492 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,0,0,0,0,0|3,0,0]=4 1493 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,0,0,0,0,0|3,0,0]=4 1494 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|1,0,0]=2 1495 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 1496 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|2,0,0]=3 1497 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 1498 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|1,0,0]=2 1499 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|2,0,0]=3 1500 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 1501 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|2,0,1]=4 1502 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 1503 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|2,0,0]=3 1504 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|2,0,0]=3 1505 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|2,0,0]=3 1506 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|2,0,0]=3 1507 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,0,0,0,0,0|3,0,0]=4 1508 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,0,0,0,0,0|3,0,0]=4 1509 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|3,0,0]=4 1510 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,0,0,0,0,0|3,0,0]=4 1511 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [1,0,0,0,0,0|3,0,0]=4 1512 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|2,0,0]=3 1513 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,0,0,0,0,0|3,0,0]=4 1514 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,0,0,0,0,0|3,0,0]=4 1515 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,0,0,0,0,0|3,0,0]=4 1516 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,0,0,0,0,0|3,0,0]=4 1517 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,0,0,0,0,0|3,0,0]=4 1518 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,0,0,0,0,0|3,0,0]=4 1519 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,0,0,0,0,0|3,0,0]=4 1520 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,0,0,0,0,0|2,0,0]=3 1521 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,0,0,0,0,0|2,0,0]=3 1522 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,0,0,0,0,0|2,0,0]=3 1523 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,0,0,0,0,0|2,0,0]=3 1524 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,0,0,0,0,0|3,0,0]=4 1525 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,0,0,0,0,0|3,0,0]=4 1526 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,0,0,0,0,0|3,0,0]=4 1527 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,0,0,0,0,0|2,0,0]=3 1528 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [1,0,0,0,0,0|3,0,0]=4 1529 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|2,0,0]=3 1530 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|2,0,0]=3 1531 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,0,0,0,0,0|3,0,0]=4 1532 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,0,0,0,0,0|3,0,0]=4 1533 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [1,0,0,0,0,0|3,0,0]=4 1534 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [1,0,0,0,0,0|3,0,0]=4 1535 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [1,0,0,0,0,0|3,0,0]=4 1536 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [1,0,0,0,0,0|3,0,0]=4 1537 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [1,0,0,0,0,0|3,0,0]=4 1538 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|2,0,0]=3 1539 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|2,0,0]=3 1540 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,0,0,0,0,0|3,0,0]=4 1541 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,0,0,0,0,0|3,0,0]=4 1542 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [1,0,0,0,0,0|3,0,0]=4 1543 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [1,0,0,0,0,0|3,0,0]=4 1544 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [1,0,0,0,0,0|3,0,0]=4 1545 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [1,0,0,0,0,0|3,0,0]=4 1546 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [1,0,0,0,0,0|3,0,0]=4 1547 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [1,0,0,0,0,0|3,0,0]=4 1548 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|2,0,0]=3 1549 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|2,0,0]=3 1550 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|2,0,1]=4 1551 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|2,0,1]=4 1552 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|2,0,0]=3 1553 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|2,0,0]=3 1554 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|2,0,0]=3 1555 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|2,0,0]=3 1556 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,0,0,0,0,0|3,0,0]=4 1557 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 1558 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 1559 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,0,0,0,0,0|3,0,0]=4 1560 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,0,0,0,0,0|3,0,0]=4 1561 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,0,0,0,0,0|2,0,0]=3 1562 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,0,0,0,0,0|2,0,0]=3 1563 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,0,0,0,0,0|2,0,0]=3 1564 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,0,0,0,0,0|3,0,0]=4 1565 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1566 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,0,0,0,0,0|3,0,0]=4 1567 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1568 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [1,0,0,0,0,0|3,0,0]=4 1569 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|2,0,0]=3 1570 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|2,0,0]=3 1571 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,0,0,0,0,0|3,0,0]=4 1572 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,0,0,0,0,0|3,0,0]=4 1573 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [1,0,0,0,0,0|3,0,0]=4 1574 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [1,0,0,0,0,0|3,0,0]=4 1575 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,0,0,0,0,0|3,0,0]=4 1576 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [1,0,0,0,0,0|3,0,0]=4 1577 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [1,0,0,0,0,0|3,0,0]=4 1578 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|2,0,0]=3 1579 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [1,0,0,0,0,0|3,0,0]=4 1580 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [1,0,0,0,0,0|3,0,0]=4 1581 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [1,0,0,0,0,0|3,0,0]=4 1582 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|2,0,0]=3 1583 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|2,0,0]=3 1584 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,0,0,0,0,0|3,0,0]=4 1585 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,0,0,0,0,0|3,0,0]=4 1586 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [1,0,0,0,0,0|3,0,0]=4 1587 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [1,0,0,0,0,0|3,0,0]=4 1588 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [1,0,0,0,0,0|3,0,0]=4 1589 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [1,0,0,0,0,0|3,0,0]=4 1590 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,0,0,0,0,0|3,0,0]=4 1591 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,0,0,0,0,0|3,0,0]=4 1592 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,0,0,0,0,0|3,0,0]=4 1593 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,0,0,0,0,0|3,0,0]=4 1594 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,0,0,0,0,0|3,0,0]=4 1595 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,0,0,0,0,0|3,0,0]=4 1596 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,0,0,0,0,0|3,0,0]=4 1597 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 1598 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,0,0,0,0,0|3,0,0]=4 1599 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,0,0,0,0,0|3,0,0]=4 1600 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 1601 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,0,0,0,0,0|3,0,0]=4 1602 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,0,0,0,0,0|3,0,0]=4 1603 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,0,0,0,0,0|3,0,0]=4 1604 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,0,0,0,0,0|3,0,0]=4 1605 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,0,0,0,0,0|3,0,0]=4 1606 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1607 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,0,0,0,0,0|3,0,0]=4 1608 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1609 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,0,0,0,0,0|3,0,0]=4 1610 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,0,0,0,0,0|3,0,0]=4 1611 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,0,0,0,0,0|3,0,0]=4 1612 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,0,0,0,0,0|3,0,0]=4 1613 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,0,0,0,0,0|3,0,0]=4 1614 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,0,0,0,0,0|3,0,0]=4 1615 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,0,0,0,0,0|3,0,0]=4 1616 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,0,0,0,0,0|3,0,0]=4 1617 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,0,0,0,0,0|3,0,0]=4 1618 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,0,0,0,0,0|3,0,0]=4 1619 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,0,0,0,0,0|3,0,0]=4 1620 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,0,0,0,0,0|3,0,0]=4 1621 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,0,0,0,0,0|3,0,0]=4 1622 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,0,0,0,0,0|3,0,0]=4 1623 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,0,0,0,0,0|3,0,0]=4 1624 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,0,0,0,0,0|3,0,0]=4 1625 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,0,0,0,0,0|3,0,0]=4 1626 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,0,0,0,0,0|3,0,0]=4 1627 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,0,0,0,0,0|3,0,0]=4 1628 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,0,0,0,0,0|3,0,0]=4 1629 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,0,0,0,0,0|3,0,0]=4 1630 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,0,0,0,0,0|3,0,0]=4 1631 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,0,0,0,0,0|3,0,0]=4 1632 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,0,0,0,0,0|3,0,0]=4 1633 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|3,0,0]=4 1634 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|3,0,0]=4 1635 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,0,0,0,0,0|3,0,0]=4 1636 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,0,0,0,0,0|3,0,0]=4 1637 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,0,0,0,0,0|3,0,0]=4 1638 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,0,0,0,0,0|3,0,0]=4 1639 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,0,0,0,0,0|3,0,0]=4 1640 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,0,0,0,0,0|3,0,0]=4 1641 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,0,0,0,0,0|3,0,0]=4 1642 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,0,0,0,0,0|3,0,0]=4 1643 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,0,0,0,0,0|3,0,0]=4 1644 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,0]=2 1645 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [1,0,0,0,0,0|3,0,0]=4 1646 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 1647 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 1648 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|2,0,0]=3 1649 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|2,0,0]=3 1650 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|2,0,0]=3 1651 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,0,0,0,0,0|1,0,2]=4 1652 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 1653 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,0,0,0,0,0|1,0,2]=4 1654 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,0,0,0,0,0|1,0,2]=4 1655 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,0,0,0,0,0|1,0,2]=4 1656 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,0,0,0,0,0|1,0,2]=4 1657 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|1,0,1]=3 1658 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [1,0,0,0,0,0|2,0,1]=4 1659 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [1,0,0,0,0,0|2,0,1]=4 1660 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [1,0,0,0,0,0|2,0,1]=4 1661 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [1,0,0,0,0,0|2,0,1]=4 1662 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,0,0,0,0,0|2,0,1]=4 1663 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [1,0,0,0,0,0|2,0,1]=4 1664 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [1,0,0,0,0,0|2,0,1]=4 1665 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [1,0,0,0,0,0|2,0,1]=4 1666 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|1,0,1]=3 1667 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|1,0,1]=3 1668 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|1,0,1]=3 1669 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 1670 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 1671 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [1,0,0,0,0,0|2,0,1]=4 1672 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [1,0,0,0,0,0|2,0,1]=4 1673 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [1,0,0,0,0,0|2,0,1]=4 1674 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [1,0,0,0,0,0|2,0,1]=4 1675 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [1,0,0,0,0,0|2,0,1]=4 1676 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,0,0,0,0,0|2,0,1]=4 1677 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [1,0,0,0,0,0|2,0,1]=4 1678 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [1,0,0,0,0,0|2,0,1]=4 1679 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [1,0,0,0,0,0|2,0,1]=4 1680 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [1,0,0,0,0,0|2,0,1]=4 1681 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [1,0,0,0,0,0|2,0,1]=4 1682 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [1,0,0,0,0,0|2,0,1]=4 1683 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [1,0,0,0,0,0|2,0,1]=4 1684 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [1,0,0,0,0,0|2,0,1]=4 1685 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [1,0,0,0,0,0|2,0,1]=4 1686 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [1,0,0,0,0,0|2,0,1]=4 1687 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [1,0,0,0,0,0|2,0,1]=4 1688 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|1,0,1]=3 1689 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|1,0,1]=3 1690 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [1,0,0,0,0,0|2,0,1]=4 1691 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [1,0,0,0,0,0|2,0,1]=4 1692 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,0,0,0,0,0|2,0,1]=4 1693 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,0,0,0,0,0|2,0,1]=4 1694 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [1,0,0,0,0,0|2,0,1]=4 1695 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [1,0,0,0,0,0|2,0,1]=4 1696 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [1,0,0,0,0,0|2,0,1]=4 1697 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [1,0,0,0,0,0|2,0,1]=4 1698 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [1,0,0,0,0,0|2,0,1]=4 1699 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [1,0,0,0,0,0|2,0,1]=4 1700 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,0,0,0,0|1,0,2]=4 1701 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|1,0,2]=4 1702 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|1,0,2]=4 1703 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|1,0,2]=4 1704 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,0,0,0,0|1,0,2]=4 1705 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,0,0,0,0|1,0,2]=4 1706 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [1,0,0,0,0,0|1,0,2]=4 1707 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [1,0,0,0,0,0|1,0,2]=4 1708 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [1,0,0,0,0,0|1,0,2]=4 1709 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [1,0,0,0,0,0|1,0,2]=4 1710 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [1,0,0,0,0,0|1,0,2]=4 1711 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [1,0,0,0,0,0|1,0,2]=4 1712 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [1,0,0,0,0,0|1,0,2]=4 1713 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [1,0,0,0,0,0|1,0,2]=4 1714 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [1,0,0,0,0,0|1,0,2]=4 1715 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|1,0,1]=3 1716 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|1,0,1]=3 1717 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [1,0,0,0,0,0|2,0,1]=4 1718 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [1,0,0,0,0,0|2,0,1]=4 1719 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|1,0,1]=3 1720 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|1,0,1]=3 1721 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|1,0,1]=3 1722 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|1,0,1]=3 1723 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [1,0,0,0,0,0|2,0,1]=4 1724 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,0,0,0,0,0|2,0,1]=4 1725 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,0,0,0,0,0|2,0,1]=4 1726 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,0,0,0,0,0|2,0,1]=4 1727 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|1,0,1]=3 1728 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|1,0,1]=3 1729 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|1,0,1]=3 1730 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,0,0,0,0,0|2,0,1]=4 1731 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,0,0,0,0,0|2,0,1]=4 1732 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,0,0,0,0,0|2,0,1]=4 1733 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,0,0,0,0,0|2,0,1]=4 1734 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,0,0,0,0,0|2,0,1]=4 1735 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,0,0,0,0,0|2,0,1]=4 1736 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|1,0,1]=3 1737 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|1,0,1]=3 1738 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [1,0,0,0,0,0|2,0,1]=4 1739 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [1,0,0,0,0,0|2,0,1]=4 1740 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,0,0,0,0,0|2,0,1]=4 1741 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,0,0,0,0,0|2,0,1]=4 1742 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [1,0,0,0,0,0|2,0,1]=4 1743 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [1,0,0,0,0,0|2,0,1]=4 1744 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [1,0,0,0,0,0|2,0,1]=4 1745 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [1,0,0,0,0,0|2,0,1]=4 1746 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|1,0,1]=3 1747 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|1,0,1]=3 1748 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [1,0,0,0,0,0|2,0,1]=4 1749 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [1,0,0,0,0,0|2,0,1]=4 1750 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [1,0,0,0,0,0|2,0,1]=4 1751 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [1,0,0,0,0,0|2,0,1]=4 1752 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [1,0,0,0,0,0|2,0,1]=4 1753 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|1,0,1]=3 1754 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|1,0,1]=3 1755 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|1,0,1]=3 1756 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [1,0,0,0,0,0|2,0,1]=4 1757 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [1,0,0,0,0,0|2,0,1]=4 1758 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [1,0,0,0,0,0|2,0,1]=4 1759 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [1,0,0,0,0,0|2,0,1]=4 1760 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,0,0,0,0,0|2,0,1]=4 1761 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [1,0,0,0,0,0|2,0,1]=4 1762 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [1,0,0,0,0,0|2,0,1]=4 1763 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [1,0,0,0,0,0|2,0,1]=4 1764 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [1,0,0,0,0,0|2,0,1]=4 1765 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [1,0,0,0,0,0|2,0,1]=4 1766 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|1,0,1]=3 1767 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|1,0,1]=3 1768 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [1,0,0,0,0,0|2,0,1]=4 1769 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [1,0,0,0,0,0|2,0,1]=4 1770 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,0,0,0,0,0|2,0,1]=4 1771 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,0,0,0,0,0|2,0,1]=4 1772 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [1,0,0,0,0,0|2,0,1]=4 1773 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [1,0,0,0,0,0|2,0,1]=4 1774 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [1,0,0,0,0,0|2,0,1]=4 1775 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [1,0,0,0,0,0|2,0,1]=4 1776 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [1,0,0,0,0,0|2,0,1]=4 1777 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [1,0,0,0,0,0|2,0,1]=4 1778 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|1,0,1]=3 1779 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [1,0,0,0,0,0|2,0,1]=4 1780 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [1,0,0,0,0,0|2,0,1]=4 1781 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [1,0,0,0,0,0|2,0,1]=4 1782 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|1,0,1]=3 1783 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 1784 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 1785 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [1,0,0,0,0,0|2,0,1]=4 1786 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [1,0,0,0,0,0|2,0,1]=4 1787 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [1,0,0,0,0,0|2,0,1]=4 1788 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [1,0,0,0,0,0|2,0,1]=4 1789 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [1,0,0,0,0,0|2,0,1]=4 1790 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [1,0,0,0,0,0|2,0,1]=4 1791 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|1,0,1]=3 1792 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|1,0,1]=3 1793 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 1794 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 1795 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [1,0,0,0,0,0|2,0,1]=4 1796 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [1,0,0,0,0,0|2,0,1]=4 1797 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [1,0,0,0,0,0|2,0,1]=4 1798 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 1799 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [1,0,0,0,0,0|2,0,1]=4 1800 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [1,0,0,0,0,0|2,0,1]=4 1801 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [1,0,0,0,0,0|2,0,1]=4 1802 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [1,0,0,0,0,0|2,0,1]=4 1803 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [1,0,0,0,0,0|2,0,1]=4 1804 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [1,0,0,0,0,0|2,0,1]=4 1805 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [1,0,0,0,0,0|2,0,1]=4 1806 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [1,0,0,0,0,0|2,0,1]=4 1807 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|1,0,1]=3 1808 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|1,0,1]=3 1809 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [1,0,0,0,0,0|2,0,1]=4 1810 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [1,0,0,0,0,0|2,0,1]=4 1811 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,0,0,0,0,0|2,0,1]=4 1812 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,0,0,0,0,0|2,0,1]=4 1813 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [1,0,0,0,0,0|2,0,1]=4 1814 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [1,0,0,0,0,0|2,0,1]=4 1815 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [1,0,0,0,0,0|2,0,1]=4 1816 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [1,0,0,0,0,0|2,0,1]=4 1817 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [1,0,0,0,0,0|2,0,1]=4 1818 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [1,0,0,0,0,0|2,0,1]=4 1819 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,0,0,0,0,0|1,0,2]=4 1820 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,0,0,0,0,0|1,0,2]=4 1821 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [1,0,0,0,0,0|1,0,2]=4 1822 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [1,0,0,0,0,0|1,0,2]=4 1823 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [1,0,0,0,0,0|1,0,2]=4 1824 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [1,0,0,0,0,0|1,0,2]=4 1825 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [1,0,0,0,0,0|1,0,2]=4 1826 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [1,0,0,0,0,0|1,0,2]=4 1827 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [1,0,0,0,0,0|1,0,2]=4 1828 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|2,0,0]=3 1829 B9R0.45 CCC=NNCCOCC 4a_100000732670_100000210100 [1,0,0,0,0,0|3,0,0]=4 1830 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,0,0,0,0,0|1,0,2]=4 1831 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,0,0,0,0,0|1,0,2]=4 1832 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,0,0,0,0,0|1,0,2]=4 1833 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,0,0,0,0,0|1,0,2]=4 1834 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [1,0,0,0,0,0|1,0,2]=4 1835 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [1,0,0,0,0,0|1,0,2]=4 1836 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,0,0,0,0,0|2,0,1]=4 1837 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 1838 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 1839 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|1,0,1]=3 1840 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|1,0,1]=3 1841 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|1,0,1]=3 1842 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 1843 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|1,0,1]=3 1844 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|1,0,1]=3 1845 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|1,0,1]=3 1846 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|1,0,1]=3 1847 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|1,0,1]=3 1848 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|1,0,1]=3 1849 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|1,0,1]=3 1850 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|1,0,1]=3 1851 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|1,0,1]=3 1852 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|1,0,1]=3 1853 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,0]=2 1854 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,0]=2 1855 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|1,0,0]=2 1856 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|1,0,0]=2 1857 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|1,0,0]=2 1858 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|2,0,0]=3 1859 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|2,0,0]=3 1860 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|1,0,0]=2 1861 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|1,0,0]=2 1862 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|2,0,0]=3 1863 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|2,0,0]=3 1864 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|1,0,1]=3 1865 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|2,0,1]=4 1866 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|2,0,1]=4 1867 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|2,0,1]=4 1868 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|2,0,1]=4 1869 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|2,0,1]=4 1870 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|2,0,1]=4 1871 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,1]=4 1872 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|2,0,1]=4 1873 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|1,0,1]=3 1874 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|1,0,1]=3 1875 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|1,0,1]=3 1876 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|2,0,1]=4 1877 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|2,0,1]=4 1878 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|2,0,1]=4 1879 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|2,0,1]=4 1880 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|2,0,1]=4 1881 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|2,0,1]=4 1882 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|1,0,1]=3 1883 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|1,0,1]=3 1884 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|2,0,1]=4 1885 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|2,0,1]=4 1886 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|2,0,1]=4 1887 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|2,0,1]=4 1888 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|2,0,1]=4 1889 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|2,0,1]=4 1890 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|2,0,1]=4 1891 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|2,0,1]=4 1892 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|1,0,1]=3 1893 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|1,0,1]=3 1894 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|1,0,1]=3 1895 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|2,0,1]=4 1896 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|2,0,1]=4 1897 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|2,0,1]=4 1898 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|2,0,1]=4 1899 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|2,0,1]=4 1900 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|2,0,1]=4 1901 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|2,0,1]=4 1902 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|2,0,1]=4 1903 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|2,0,1]=4 1904 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|2,0,1]=4 1905 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|2,0,1]=4 1906 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|1,0,1]=3 1907 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|1,0,1]=3 1908 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|1,0,1]=3 1909 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|1,0,1]=3 1910 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|2,0,1]=4 1911 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|2,0,1]=4 1912 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|2,0,1]=4 1913 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|2,0,1]=4 1914 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|2,0,1]=4 1915 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|2,0,1]=4 1916 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|2,0,1]=4 1917 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|2,0,1]=4 1918 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|2,0,1]=4 1919 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|2,0,1]=4 1920 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|2,0,1]=4 1921 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|2,0,1]=4 1922 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|2,0,1]=4 1923 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|2,0,1]=4 1924 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 1925 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|2,0,1]=4 1926 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 1927 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|2,0,1]=4 1928 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|1,0,1]=3 1929 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|1,0,1]=3 1930 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|2,0,1]=4 1931 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|2,0,1]=4 1932 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|2,0,1]=4 1933 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|2,0,1]=4 1934 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|2,0,1]=4 1935 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|2,0,1]=4 1936 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|2,0,1]=4 1937 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|2,0,1]=4 1938 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|2,0,0]=3 1939 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|2,0,0]=3 1940 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|2,0,1]=4 1941 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|2,0,1]=4 1942 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|2,0,1]=4 1943 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|2,0,1]=4 1944 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,1]=4 1945 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|2,0,1]=4 1946 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|2,0,1]=4 1947 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|2,0,1]=4 1948 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|2,0,1]=4 1949 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|2,0,1]=4 1950 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|2,0,0]=3 1951 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|2,0,0]=3 1952 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|2,0,0]=3 1953 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|2,0,0]=3 1954 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|2,0,0]=3 1955 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|2,0,0]=3 1956 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|2,0,0]=3 1957 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|2,0,1]=4 1958 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|2,0,1]=4 1959 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|2,0,1]=4 1960 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|2,0,1]=4 1961 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|2,0,1]=4 1962 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|2,0,1]=4 1963 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|2,0,1]=4 1964 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|2,0,1]=4 1965 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,1]=4 1966 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|2,0,1]=4 1967 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|2,0,1]=4 1968 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 1969 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|2,0,1]=4 1970 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|2,0,1]=4 1971 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 1972 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|2,0,1]=4 1973 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|2,0,1]=4 1974 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|2,0,1]=4 1975 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|2,0,1]=4 1976 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|2,0,1]=4 1977 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|2,0,1]=4 1978 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|2,0,1]=4 1979 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|2,0,1]=4 1980 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|2,0,1]=4 1981 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|2,0,1]=4 1982 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|2,0,0]=3 1983 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|2,0,0]=3 1984 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|2,0,0]=3 1985 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|2,0,0]=3 1986 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|2,0,0]=3 1987 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|2,0,0]=3 1988 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|2,0,0]=3 1989 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|2,0,0]=3 1990 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,0,0,0,0,0|3,0,0]=4 1991 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,0,0,0,0,0|3,0,0]=4 1992 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|2,0,0]=3 1993 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|2,0,0]=3 1994 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|2,0,0]=3 1995 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|2,0,0]=3 1996 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|2,0,0]=3 1997 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|2,0,0]=3 1998 B9R0.45 CCCCOCCSCF 62a_100000743108_100015361967 [1,0,0,0,0,0|3,0,0]=4 1999 B9R0.45 CCCCOCCSCF 62a_100015361967_100000743108 [1,0,0,0,0,0|3,0,0]=4 2000 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,0,0,0,0,0|2,0,1]=4 2001 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,0,0,0,0,0|2,0,1]=4 2002 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,0,0,0,0,0|2,0,1]=4 2003 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|2,0,1]=4 2004 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|2,0,1]=4 2005 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|2,0,1]=4 2006 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|2,0,1]=4 2007 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|2,0,1]=4 2008 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|2,0,1]=4 2009 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|2,0,0]=3 2010 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|2,0,0]=3 2011 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|2,0,0]=3 2012 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|2,0,0]=3 2013 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|2,0,0]=3 2014 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,0,0,0,0,0|3,0,0]=4 2015 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,0,0,0,0,0|3,0,0]=4 2016 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|2,0,0]=3 2017 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|2,0,0]=3 2018 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 2019 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 2020 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|2,0,0]=3 2021 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|2,0,0]=3 2022 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,0,0,0,0|2,0,1]=4 2023 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,0,0,0,0|2,0,1]=4 2024 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,0,0,0,0,0|2,0,1]=4 2025 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|2,0,1]=4 2026 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|2,0,1]=4 2027 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 2028 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 2029 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|2,0,1]=4 2030 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|2,0,1]=4 2031 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|2,0,1]=4 2032 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 2033 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|2,0,1]=4 2034 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|2,0,1]=4 2035 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|2,0,1]=4 2036 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 2037 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 2038 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|2,0,0]=3 2039 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|2,0,0]=3 2040 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [1,0,0,0,0,0|3,0,0]=4 2041 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|2,0,0]=3 2042 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|2,0,0]=3 2043 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|2,0,0]=3 2044 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|2,0,0]=3 2045 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|2,0,0]=3 2046 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,0,0,0,0|2,0,1]=4 2047 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,0,0,0,0|2,0,1]=4 2048 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,0,0,0,0|2,0,1]=4 2049 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,0,0,0,0|2,0,1]=4 2050 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,0,0,0,0|2,0,1]=4 2051 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,0,0,0,0|2,0,1]=4 2052 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,0,0,0,0|2,0,1]=4 2053 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|2,0,1]=4 2054 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|2,0,1]=4 2055 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|2,0,1]=4 2056 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 2057 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|2,0,1]=4 2058 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|2,0,1]=4 2059 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|2,0,0]=3 2060 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|2,0,0]=3 2061 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,0,0,0,0,0|2,0,1]=4 2062 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|2,0,1]=4 2063 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|2,0,0]=3 2064 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 2065 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|2,0,0]=3 2066 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 2067 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|2,0,0]=3 2068 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|2,0,0]=3 2069 B9R0.45 CCNCCOCCOC 2230a_100000745349_100000210202 [1,0,0,0,0,0|3,0,0]=4 2070 B9R0.45 CCNCCOCCOC 2230a_100015525214_100000695917 [1,0,0,0,0,0|3,0,0]=4 2071 B9R0.45 CCNCCOCCOC 34a_100000745349_100000210202 [1,0,0,0,0,0|3,0,0]=4 2072 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|2,0,0]=3 2073 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|2,0,0]=3 2074 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2075 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2076 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|2,0,0]=3 2077 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|2,0,0]=3 2078 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|2,0,0]=3 2079 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 2080 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|2,0,0]=3 2081 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|2,0,0]=3 2082 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,0,0,0,0,0|3,0,0]=4 2083 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,0,0,0,0,0|3,0,0]=4 2084 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,0,0,0,0,0|3,0,0]=4 2085 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,0,0,0,0,0|3,0,0]=4 2086 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,0,0,0,0,0|3,0,0]=4 2087 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,0,0,0,0,0|3,0,0]=4 2088 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,0,0,0,0,0|3,0,0]=4 2089 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,0,0,0,0,0|3,0,0]=4 2090 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [1,0,0,0,0,0|3,0,0]=4 2091 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [1,0,0,0,0,0|3,0,0]=4 2092 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,0,0,0,0,0|3,0,0]=4 2093 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,0,0,0,0,0|3,0,0]=4 2094 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,0,0,0,0,0|3,0,0]=4 2095 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,0,0,0,0,0|3,0,0]=4 2096 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,0,0,0,0,0|3,0,0]=4 2097 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,0,0,0,0,0|3,0,0]=4 2098 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,0,0,0,0,0|3,0,0]=4 2099 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,0,0,0,0,0|3,0,0]=4 2100 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,0,0,0,0,0|3,0,0]=4 2101 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,0,0,0,0,0|3,0,0]=4 2102 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,0,0,0,0,0|3,0,0]=4 2103 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,0,0,0,0,0|3,0,0]=4 2104 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,0,0,0,0,0|3,0,0]=4 2105 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [1,0,0,0,0,0|3,0,0]=4 2106 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [1,0,0,0,0,0|3,0,0]=4 2107 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,0,0,0,0,0|3,0,0]=4 2108 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,0,0,0,0,0|3,0,0]=4 2109 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,0,0,0,0,0|3,0,0]=4 2110 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,0,0,0,0,0|3,0,0]=4 2111 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,0,0,0,0,0|3,0,0]=4 2112 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,0,0,0,0,0|3,0,0]=4 2113 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,0,0,0,0,0|3,0,0]=4 2114 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,0,0,0,0,0|3,0,0]=4 2115 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,0,0,0,0,0|3,0,0]=4 2116 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [1,0,0,0,0,0|3,0,0]=4 2117 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [1,0,0,0,0,0|3,0,0]=4 2118 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [1,0,0,0,0,0|3,0,0]=4 2119 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,0,0,0,0,0|3,0,0]=4 2120 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,0,0,0,0,0|3,0,0]=4 2121 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,0,0,0,0,0|3,0,0]=4 2122 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,0,0,0,0,0|3,0,0]=4 2123 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,0,0,0,0,0|3,0,0]=4 2124 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,0,0,0,0,0|3,0,0]=4 2125 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,0,0,0,0,0|3,0,0]=4 2126 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,0,0,0,0,0|3,0,0]=4 2127 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,0,0,0,0,0|3,0,0]=4 2128 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,0,0,0,0,0|3,0,0]=4 2129 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,0,0,0,0,0|3,0,0]=4 2130 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,0,0,0,0,0|3,0,0]=4 2131 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,0,0,0,0,0|3,0,0]=4 2132 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,0,0,0,0,0|3,0,0]=4 2133 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,0,0,0,0,0|3,0,0]=4 2134 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,0,0,0,0,0|3,0,0]=4 2135 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,0,0,0,0,0|3,0,0]=4 2136 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,0,0,0,0,0|3,0,0]=4 2137 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,0,0,0,0,0|3,0,0]=4 2138 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,0,0,0,0,0|3,0,0]=4 2139 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,0,0,0,0,0|3,0,0]=4 2140 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,0,0,0,0,0|3,0,0]=4 2141 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,0,0,0,0,0|3,0,0]=4 2142 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,0,0,0,0,0|3,0,0]=4 2143 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,0,0,0,0,0|3,0,0]=4 2144 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,0,0,0,0,0|3,0,0]=4 2145 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,0,0,0,0,0|3,0,0]=4 2146 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,0,0,0,0,0|3,0,0]=4 2147 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,0,0,0,0,0|3,0,0]=4 2148 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,0,0,0,0,0|3,0,0]=4 2149 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,0,0,0,0,0|3,0,0]=4 2150 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,0,0,0,0,0|3,0,0]=4 2151 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,0,0,0,0,0|3,0,0]=4 2152 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,0,0,0,0,0|3,0,0]=4 2153 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,0,0,0,0,0|3,0,0]=4 2154 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,0,0,0,0,0|3,0,0]=4 2155 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,0,0,0,0,0|3,0,0]=4 2156 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,0,0,0,0,0|3,0,0]=4 2157 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,0,0,0,0,0|3,0,0]=4 2158 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,0,0,0,0,0|3,0,0]=4 2159 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,0,0,0,0,0|3,0,0]=4 2160 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [1,0,0,0,0,0|3,0,0]=4 2161 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [1,0,0,0,0,0|3,0,0]=4 2162 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [1,0,0,0,0,0|3,0,0]=4 2163 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [1,0,0,0,0,0|3,0,0]=4 2164 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,0,0,0,0,0|3,0,0]=4 2165 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,0,0,0,0,0|3,0,0]=4 2166 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,0,0,0,0,0|3,0,0]=4 2167 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,0,0,0,0,0|3,0,0]=4 2168 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,0,0,0,0,0|3,0,0]=4 2169 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,0,0,0,0,0|3,0,0]=4 2170 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [1,0,0,0,0,0|3,0,0]=4 2171 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [1,0,0,0,0,0|3,0,0]=4 2172 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,0,0,0,0,0|2,0,1]=4 2173 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,0,0,0,0,0|2,0,1]=4 2174 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|2,0,1]=4 2175 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|2,0,1]=4 2176 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|2,0,0]=3 2177 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|2,0,0]=3 2178 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|2,0,0]=3 2179 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|2,0,0]=3 2180 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,0,0,0,0,0|3,0,0]=4 2181 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,0,0,0,0,0|3,0,0]=4 2182 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,0,0,0,0,0|3,0,0]=4 2183 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,0,0,0,0,0|3,0,0]=4 2184 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [1,0,0,0,0,0|3,0,0]=4 2185 B9R0.45 CCSCCNCCCF 2230a_100000106463_100011934791 [1,0,0,0,0,0|3,0,0]=4 2186 B9R0.45 CCSCCNCCCF 2230a_100015189416_100000757381 [1,0,0,0,0,0|3,0,0]=4 2187 B9R0.45 CCSCCNCCCF 34a_100015189416_100000757381 [1,0,0,0,0,0|3,0,0]=4 2188 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,0,0,0,0,0|3,0,0]=4 2189 B9R0.45 CCSCCNCCOC 2230a_100000106463_100011201679 [1,0,0,0,0,0|3,0,0]=4 2190 B9R0.45 CCSCCNCCOC 2230a_100000209980_100000757381 [1,0,0,0,0,0|3,0,0]=4 2191 B9R0.45 CCSCCNCCSC 2230a_100000106463_100000751147 [1,0,0,0,0,0|3,0,0]=4 2192 B9R0.45 CCSCCNCCSC 2230a_100020590264_100000757381 [1,0,0,0,0,0|3,0,0]=4 2193 B9R0.45 CCSCCOCCCBr 34a_100011217188_100000757381 [1,0,0,0,0,0|3,0,0]=4 2194 B9R0.45 CCSCCOCCCCl 34a_100000230001_100000757381 [1,0,0,0,0,0|3,0,0]=4 2195 B9R0.45 CCSCCOCCCF 34a_100000212035_100011934791 [1,0,0,0,0,0|3,0,0]=4 2196 B9R0.45 CCSCCOCCCF 34a_100000759539_100000757381 [1,0,0,0,0,0|3,0,0]=4 2197 B9R0.45 CCSCCOCCCF 7a_100000212035_100011934791 [1,0,0,0,0,0|3,0,0]=4 2198 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,0,0,0,0,0|3,0,0]=4 2199 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,0,0,0,0,0|3,0,0]=4 2200 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,0,0,0,0,0|3,0,0]=4 2201 B9R0.45 CCSCCOCCOC 34a_100000210237_100000757381 [1,0,0,0,0,0|3,0,0]=4 2202 B9R0.45 CCSCCOCCOC 34a_100000212035_100011201679 [1,0,0,0,0,0|3,0,0]=4 2203 B9R0.45 CCSCCOCCOC 62a_100000210202_100000695917 [1,0,0,0,0,0|3,0,0]=4 2204 B9R0.45 CCSCCOCCOC 62a_100000695917_100000210202 [1,0,0,0,0,0|3,0,0]=4 2205 B9R0.45 CCSCCOCCOC 7a_100000212035_100000233755 [1,0,0,0,0,0|3,0,0]=4 2206 B9R0.45 CCSCCOCCSC 34a_100000212035_100000212216 [1,0,0,0,0,0|3,0,0]=4 2207 B9R0.45 CCSCCOCCSC 34a_100000230434_100000757381 [1,0,0,0,0,0|3,0,0]=4 2208 B9R0.45 CCSCCOCCSC 7a_100000212035_100000212216 [1,0,0,0,0,0|3,0,0]=4 2209 B9R0.45 CCSCCOCCSC 7a_100000230434_100000757381 [1,0,0,0,0,0|3,0,0]=4 2210 B9R0.45 CCSCCSCCCF 62a_100000757381_100011934791 [1,0,0,0,0,0|3,0,0]=4 2211 B9R0.45 CCSCCSCCCF 62a_100011934791_100000757381 [1,0,0,0,0,0|3,0,0]=4 2212 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,0,0,0,0,0|3,0,0]=4 2213 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,0,0,0,0,0|3,0,0]=4 2214 B9R0.45 CCSCCSCCOC 62a_100000233755_100000757381 [1,0,0,0,0,0|3,0,0]=4 2215 B9R0.45 CCSCCSCCOC 62a_100000757381_100000233755 [1,0,0,0,0,0|3,0,0]=4 2216 B9R0.45 CCSCCSCCSC 62a_100000212216_100000757381 [1,0,0,0,0,0|3,0,0]=4 2217 B9R0.45 CCSCCSCCSC 62a_100000757381_100000751147 [1,0,0,0,0,0|3,0,0]=4 2218 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 2219 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|2,0,1]=4 2220 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 2221 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|2,0,1]=4 2222 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|2,0,1]=4 2223 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|2,0,1]=4 2224 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|2,0,1]=4 2225 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|2,0,1]=4 2226 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,0,0,0,0,0|3,0,0]=4 2227 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 2228 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 2229 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 2230 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|2,0,1]=4 2231 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|2,0,1]=4 2232 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|2,0,1]=4 2233 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|2,0,1]=4 2234 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|2,0,1]=4 2235 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|2,0,1]=4 2236 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|2,0,1]=4 2237 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|2,0,1]=4 2238 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|2,0,1]=4 2239 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|2,0,1]=4 2240 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,0,0,0,0,0|3,0,0]=4 2241 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 2242 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|2,0,1]=4 2243 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,0,0,0,0,0|3,0,0]=4 2244 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,0,0,0,0,0|3,0,0]=4 2245 B9R0.45 FCCCCCCSCF 62a_100015361967_100015922095 [1,0,0,0,0,0|3,0,0]=4 2246 B9R0.45 FCCCCCCSCF 62a_100015922095_100015361967 [1,0,0,0,0,0|3,0,0]=4 2247 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,0,0,0,0,0|3,0,0]=4 2248 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,0,0,0,0,0|3,0,0]=4 2249 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2250 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2251 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,0,0,0,0,0|3,0,0]=4 2252 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,0,0,0,0,0|3,0,0]=4 2253 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,0,0,0,0,0|3,0,0]=4 2254 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,0,0,0,0,0|3,0,0]=4 2255 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 2256 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 2257 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 2258 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 2259 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 2260 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 2261 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|2,0,1]=4 2262 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [1,0,0,0,0,0|0,0,2]=3 2263 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [1,0,0,0,0,0|1,0,2]=4 2264 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [1,0,0,0,0,0|1,0,2]=4 2265 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [1,0,0,0,0,0|1,0,2]=4 2266 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [1,0,0,0,0,0|1,0,2]=4 2267 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [1,0,0,0,0,0|1,0,2]=4 2268 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [1,0,0,0,0,0|1,0,2]=4 2269 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,0,0,0,0,0|0,0,2]=3 2270 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,0,0,0,0,0|0,0,2]=3 2271 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [1,0,0,0,0,0|1,0,2]=4 2272 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [1,0,0,0,0,0|1,0,2]=4 2273 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [1,0,0,0,0,0|1,0,2]=4 2274 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 2275 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 2276 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 2277 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 2278 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 2279 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 2280 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 2281 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [1,0,0,0,0,0|1,0,2]=4 2282 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [1,0,0,0,0,0|1,0,2]=4 2283 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [1,0,0,0,0,0|1,0,2]=4 2284 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [1,0,0,0,0,0|1,0,2]=4 2285 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [1,0,0,0,0,0|1,0,2]=4 2286 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [1,0,0,0,0,0|1,0,2]=4 2287 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [1,0,0,0,0,0|1,0,2]=4 2288 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [1,0,0,0,0,0|1,0,2]=4 2289 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,0,0,0,0,0|0,0,2]=3 2290 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [1,0,0,0,0,0|1,0,2]=4 2291 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [1,0,0,0,0,0|1,0,2]=4 2292 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [1,0,0,0,0,0|1,0,2]=4 2293 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [1,0,0,0,0,0|1,0,2]=4 2294 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [1,0,0,0,0,0|1,0,2]=4 2295 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [1,0,0,0,0,0|1,0,2]=4 2296 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [1,0,0,0,0,0|1,0,2]=4 2297 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [1,0,0,0,0,0|1,0,2]=4 2298 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,0,0,0,0,0|0,0,2]=3 2299 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,0,0,0,0,0|0,0,2]=3 2300 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [1,0,0,0,0,0|1,0,2]=4 2301 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [1,0,0,0,0,0|1,0,2]=4 2302 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [1,0,0,0,0,0|1,0,2]=4 2303 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 2304 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 2305 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 2306 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 2307 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 2308 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 2309 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 2310 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [1,0,0,0,0,0|1,0,2]=4 2311 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [1,0,0,0,0,0|1,0,2]=4 2312 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [1,0,0,0,0,0|1,0,2]=4 2313 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [1,0,0,0,0,0|1,0,2]=4 2314 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [1,0,0,0,0,0|1,0,2]=4 2315 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [1,0,0,0,0,0|1,0,2]=4 2316 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [1,0,0,0,0,0|1,0,2]=4 2317 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,0,0,0,0,0|0,0,2]=3 2318 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,0,0,0,0,0|1,0,2]=4 2319 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [1,0,0,0,0,0|1,0,2]=4 2320 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [1,0,0,0,0,0|1,0,2]=4 2321 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [1,0,0,0,0,0|1,0,2]=4 2322 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,0,0,0,0,0|1,0,1]=3 2323 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,0,0,0,0|1,0,0]=2 2324 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,0,0,0,0|1,0,0]=2 2325 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,0,0,0,0|1,0,0]=2 2326 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,0,0,0,0|1,0,0]=2 2327 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [1,0,0,0,0,0|3,0,0]=4 2328 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [1,0,0,0,0,0|2,0,1]=4 2329 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,0,0,0,0,0|2,0,0]=3 2330 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,0,0,0,0,0|2,0,0]=3 2331 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,0,0,0,0,0|2,0,0]=3 2332 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,0,0,0,0,0|2,0,0]=3 2333 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [1,0,0,0,0,0|2,0,0]=3 2334 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [1,0,0,0,0,0|2,0,0]=3 2335 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [1,0,0,0,0,0|2,0,0]=3 2336 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [1,0,0,0,0,0|2,0,0]=3 2337 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [1,0,0,0,0,0|2,0,1]=4 2338 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [1,0,0,0,0,0|2,0,1]=4 2339 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [1,0,0,0,0,0|2,0,0]=3 2340 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [1,0,0,0,0,0|2,0,0]=3 2341 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,0,0,0,0,0|2,0,0]=3 2342 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,0,0,0,0,0|2,0,0]=3 2343 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [1,0,0,0,0,0|2,0,0]=3 2344 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [1,0,0,0,0,0|2,0,0]=3 2345 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [1,0,0,0,0,0|2,0,0]=3 2346 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [1,0,0,0,0,0|2,0,0]=3 2347 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,0,0,0,0,0|2,0,0]=3 2348 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,0,0,0,0,0|2,0,0]=3 2349 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 2350 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 2351 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 2352 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 2353 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 2354 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 2355 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 2356 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [1,0,0,0,0,0|3,0,0]=4 2357 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [1,0,0,0,0,0|3,0,0]=4 2358 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [1,0,0,0,0,0|3,0,0]=4 2359 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [1,0,0,0,0,0|3,0,0]=4 2360 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [1,0,0,0,0,0|3,0,0]=4 2361 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,0,0,0,0,0|0,0,2]=3 2362 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [1,0,0,0,0,0|1,0,2]=4 2363 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [1,0,0,0,0,0|1,0,2]=4 2364 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 2365 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 2366 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 2367 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [1,0,0,0,0,0|2,0,1]=4 2368 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,0,0,0,0,0|0,0,2]=3 2369 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [1,0,0,0,0,0|1,0,2]=4 2370 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,0,0,0,0,0|1,0,2]=4 2371 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,0,0,0,0,0|1,0,2]=4 2372 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,0,0,0,0,0|1,0,2]=4 2373 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,0,0,0,0|0,0,0]=1 2374 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,0,0,0,0|0,0,0]=1 2375 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,0,0,0,0|1,0,0]=2 2376 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,0,0,0,0|1,0,0]=2 2377 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,0,0,0,0|1,0,0]=2 2378 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 2379 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 2380 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 2381 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 2382 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 2383 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,0,0,0,0,0|2,0,1]=4 2384 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 2385 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,0,0,0,0,0|2,0,1]=4 2386 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 2387 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 2388 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 2389 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,0,0,0,0,0|2,0,1]=4 2390 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,0,0,0,0,0|2,0,1]=4 2391 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,0,0,0,0,0|2,0,1]=4 2392 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,0,0,0,0,0|2,0,1]=4 2393 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,0,0,0,0,0|2,0,1]=4 2394 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,0,0,0,0,0|2,0,1]=4 2395 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,0,0,0,0,0|2,0,1]=4 2396 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,0,0,0,0,0|2,0,1]=4 2397 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,0,0,0,0,0|2,0,1]=4 2398 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,0,0,0,0,0|2,0,0]=3 2399 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,0,0,0,0,0|2,0,0]=3 2400 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,0,0,0,0,0|2,0,0]=3 2401 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,0,0,0,0,0|2,0,0]=3 2402 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [1,0,0,0,0,0|3,0,0]=4 2403 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 2404 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 2405 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 2406 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 2407 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,0,0,0,0|2,0,0]=3 2408 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,0,0,0,0|2,0,0]=3 2409 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,0,0,0,0|2,0,0]=3 2410 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 2411 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 2412 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 2413 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 2414 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,0,0,0,0|2,0,0]=3 2415 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,0,0,0,0,0|2,0,1]=4 2416 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,0,0,0,0,0|2,0,1]=4 2417 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,0,0,0,0,0|2,0,1]=4 2418 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,0,0,0,0,0|2,0,1]=4 2419 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,0,0,0,0,0|2,0,1]=4 2420 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,0,0,0,0,0|2,0,1]=4 2421 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,0,0,0,0,0|2,0,1]=4 2422 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,0,0,0,0|1,0,0]=2 2423 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [1,0,0,0,0,0|2,0,0]=3 2424 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [1,0,0,0,0,0|2,0,0]=3 2425 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [1,0,0,0,0,0|2,0,0]=3 2426 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,0,0,0,0,0|2,0,0]=3 2427 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,0,0,0,0,0|2,0,0]=3 2428 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,0,0,0,0,0|2,0,1]=4 2429 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,0,0,0,0,0|2,0,1]=4 2430 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,0,0,0,0,0|2,0,1]=4 2431 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,0,0,0,0,0|2,0,1]=4 2432 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [1,0,0,0,0,0|1,0,2]=4 2433 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [1,0,0,0,0,0|1,0,2]=4 2434 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [1,0,0,0,0,0|1,0,2]=4 2435 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,0,0,0,0,0|2,0,1]=4 2436 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,0,0,0,0,0|2,0,1]=4 2437 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,0,0,0,0,0|2,0,0]=3 2438 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [1,0,0,0,0,0|3,0,0]=4 2439 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [1,0,0,0,0,0|3,0,0]=4 2440 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [1,0,0,0,0,0|3,0,0]=4 2441 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [1,0,0,0,0,0|3,0,0]=4 2442 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,0,0,0,0|1,0,0]=2 2443 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,0,0,0,0|1,0,0]=2 2444 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,0,0,0,0|1,0,0]=2 2445 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,0,0,0,0|1,0,0]=2 2446 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [1,0,0,0,0,0|2,0,0]=3 2447 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,0,0,0,0,0|2,0,0]=3 2448 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,0,0,0,0,0|2,0,0]=3 2449 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 2450 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 2451 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,0,0,0,0,0|2,0,0]=3 2452 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,0,0,0,0,0|2,0,0]=3 2453 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 2454 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,0,0,0,0,0|2,0,0]=3 2455 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,0,0,0,0,0|2,0,0]=3 2456 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,0,0,0,0,0|2,0,0]=3 2457 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,0,0,0,0,0|2,0,1]=4 2458 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,0,0,0,0,0|2,0,1]=4 2459 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,0,0,0,0,0|1,0,2]=4 2460 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,0,0,0,0,0|1,0,2]=4 2461 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [1,0,0,0,0,0|3,0,0]=4 2462 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [1,0,0,0,0,0|3,0,0]=4 2463 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,0,0,0,0,0|2,0,1]=4 2464 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,0,0,0,0,0|2,0,1]=4 2465 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,0,0,0,0,0|2,0,1]=4 2466 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,0,0,0,0|1,0,0]=2 2467 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,0,0,0,0|1,0,0]=2 2468 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,0,0,0,0|1,0,0]=2 2469 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [1,0,0,0,0,0|2,0,0]=3 2470 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [1,0,0,0,0,0|2,0,0]=3 2471 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 2472 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 2473 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 2474 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [1,0,0,0,0,0|2,0,0]=3 2475 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [1,0,0,0,0,0|2,0,0]=3 2476 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,0,0,0,0,0|2,0,0]=3 2477 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,0,0,0,0,0|2,0,0]=3 2478 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,0,0,0,0,0|2,0,1]=4 2479 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,0,0,0,0,0|2,0,1]=4 2480 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [1,0,0,0,0,0|1,0,2]=4 2481 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [1,0,0,0,0,0|1,0,2]=4 2482 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,0,0,0,0,0|2,0,1]=4 2483 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,0,0,0,0,0|2,0,1]=4 2484 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,0,0,0,0,0|2,0,0]=3 2485 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,0,0,0,0,0|2,0,0]=3 2486 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,0,0,0,0,0|2,0,1]=4 2487 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,0,0,0,0|1,0,0]=2 2488 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,0,0,0,0,0|2,0,0]=3 2489 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,0,0,0,0,0|2,0,0]=3 2490 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,0,0,0,0,0|2,0,0]=3 2491 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,0,0,0,0,0|2,0,0]=3 2492 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,0,0,0,0,0|2,0,1]=4 2493 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,0,0,0,0,0|3,0,0]=4 2494 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,0,0,0,0,0|3,0,0]=4 2495 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,0,0,0,0,0|2,0,0]=3 2496 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,0,0,0,0,0|2,0,0]=3 2497 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,0,0,0,0,0|2,0,0]=3 2498 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,0,0,0,0,0|2,0,0]=3 2499 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,0,0,0,0,0|3,0,0]=4 2500 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [1,0,0,0,0,0|3,0,0]=4 2501 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [1,0,0,0,0,0|3,0,0]=4 2502 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,0,0,0,0,0|3,0,0]=4 2503 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,0,0,0,0,0|3,0,0]=4 2504 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,0,0,0,0,0|3,0,0]=4 2505 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,0,0,0,0,0|3,0,0]=4 2506 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [1,0,0,0,0,0|3,0,0]=4 2507 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [1,0,0,0,0,0|3,0,0]=4 2508 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,0,0,0,0,0|2,0,0]=3 2509 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,0,0,0,0,0|2,0,0]=3 2510 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,0,0,0,0,0|2,0,0]=3 2511 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,0,0,0,0,0|2,0,0]=3 2512 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [1,0,0,0,0,0|3,0,0]=4 2513 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,0,0,0,0|2,0,0]=3 2514 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,0,0,0,0,0|3,0,0]=4 2515 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,0,0,0,0|1,0,0]=2 2516 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,0,0,0,0,0|2,0,0]=3 2517 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,0,0,0,0,0|2,0,0]=3 2518 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [1,0,0,0,0,0|3,0,0]=4 2519 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,0,0,0,0,0|2,0,0]=3 2520 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,0,0,0,0,0|2,0,1]=4 2521 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,0,0,0,0,0|3,0,0]=4 2522 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,0,0,0,0,0|3,0,0]=4 2523 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 2524 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,0,0,0,0,0|2,0,0]=3 2525 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 2526 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,0,0,0,0,0|2,0,0]=3 2527 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 2528 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,0,0,0,0,0|2,0,0]=3 2529 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 2530 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 2531 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,0,0,0,0,0|3,0,0]=4 2532 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,0,0,0,0,0|3,0,0]=4 2533 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,0,0,0,0,0|3,0,0]=4 2534 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,0,0,0,0,0|3,0,0]=4 2535 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,0,0,0,0,0|3,0,0]=4 2536 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,0,0,0,0,0|3,0,0]=4 2537 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,0,0,0,0,0|3,0,0]=4 2538 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,0,0,0,0,0|2,0,0]=3 2539 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,0,0,0,0|3,0,0]=4 2540 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,0,0,0,0,0|3,0,0]=4 2541 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,0,0,0,0,0|2,0,0]=3 2542 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,0,0,0,0,0|2,0,0]=3 2543 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [1,0,0,0,0,0|3,0,0]=4 2544 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [1,0,0,0,0,0|3,0,0]=4 2545 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [1,0,0,0,0,0|3,0,0]=4 2546 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [1,0,0,0,0,0|3,0,0]=4 2547 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,0,0,0,0,0|2,0,0]=3 2548 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,0,0,0,0,0|2,0,0]=3 2549 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,0,0,0,0,0|2,0,0]=3 2550 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,0,0,0,0,0|2,0,0]=3 2551 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [1,0,0,0,0,0|3,0,0]=4 2552 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 2553 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 2554 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 2555 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 2556 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 2557 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 2558 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,0,0,0,0,0|3,0,0]=4 2559 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 2560 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 2561 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 2562 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 2563 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,0,0,0,0,0|3,0,0]=4 2564 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,0,0,0,0|3,0,0]=4 2565 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,0,0,0,0|3,0,0]=4 2566 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,0,0,0,0,0|2,0,0]=3 2567 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [1,0,0,0,0,0|3,0,0]=4 2568 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [1,0,0,0,0,0|3,0,0]=4 2569 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [1,0,0,0,0,0|3,0,0]=4 2570 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [1,0,0,0,0,0|3,0,0]=4 2571 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [1,0,0,0,0,0|3,0,0]=4 2572 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [1,0,0,0,0,0|3,0,0]=4 2573 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [1,0,0,0,0,0|3,0,0]=4 2574 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [1,0,0,0,0,0|3,0,0]=4 2575 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [1,0,0,0,0,0|3,0,0]=4 2576 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [1,0,0,0,0,0|3,0,0]=4 2577 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [1,0,0,0,0,0|3,0,0]=4 2578 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [1,0,0,0,0,0|3,0,0]=4 2579 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [1,0,0,0,0,0|3,0,0]=4 2580 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [1,0,0,0,0,0|3,0,0]=4 2581 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [1,0,0,0,0,0|3,0,0]=4 2582 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [1,0,0,0,0,0|3,0,0]=4 2583 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [1,0,0,0,0,0|3,0,0]=4 2584 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [1,0,0,0,0,0|3,0,0]=4 2585 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [1,0,0,0,0,0|3,0,0]=4 2586 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [1,0,0,0,0,0|3,0,0]=4 2587 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [1,0,0,0,0,0|3,0,0]=4 2588 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [1,0,0,0,0,0|3,0,0]=4 2589 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [1,0,0,0,0,0|3,0,0]=4 2590 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [1,0,0,0,0,0|3,0,0]=4 2591 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [1,0,0,0,0,0|3,0,0]=4 2592 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [1,0,0,0,0,0|3,0,0]=4 2593 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [1,0,0,0,0,0|3,0,0]=4 2594 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [1,0,0,0,0,0|3,0,0]=4 2595 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [1,0,0,0,0,0|3,0,0]=4 2596 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [1,0,0,0,0,0|3,0,0]=4 2597 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [1,0,0,0,0,0|3,0,0]=4 2598 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [1,0,0,0,0,0|3,0,0]=4 2599 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [1,0,0,0,0,0|3,0,0]=4 2600 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [1,0,0,0,0,0|3,0,0]=4 2601 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [1,0,0,0,0,0|3,0,0]=4 2602 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [1,0,0,0,0,0|3,0,0]=4 2603 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [1,0,0,0,0,0|3,0,0]=4 2604 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [1,0,0,0,0,0|3,0,0]=4 2605 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [1,0,0,0,0,0|3,0,0]=4 2606 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [1,0,0,0,0,0|3,0,0]=4 2607 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [1,0,0,0,0,0|3,0,0]=4 2608 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,0,0,0,0,0|3,0,0]=4 2609 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [1,0,0,0,0,0|3,0,0]=4 2610 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 2611 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 2612 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [1,0,0,0,0,0|3,0,0]=4 2613 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [1,0,0,0,0,0|3,0,0]=4 2614 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 2615 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [1,0,0,0,0,0|3,0,0]=4 2616 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [1,0,0,0,0,0|3,0,0]=4 2617 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [1,0,0,0,0,0|3,0,0]=4 2618 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [1,0,0,0,0,0|3,0,0]=4 2619 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [1,0,0,0,0,0|3,0,0]=4 2620 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [1,0,0,0,0,0|3,0,0]=4 2621 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [1,0,0,0,0,0|3,0,0]=4 2622 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [1,0,0,0,0,0|3,0,0]=4 2623 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [1,0,0,0,0,0|3,0,0]=4 2624 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [1,0,0,0,0,0|3,0,0]=4 2625 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [1,0,0,0,0,0|3,0,0]=4 2626 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,0,0,0,0,0|3,0,0]=4 2627 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 2628 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 2629 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 2630 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 2631 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,0,0,0,0,0|3,0,0]=4 2632 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 2633 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [1,0,0,0,0,0|3,0,0]=4 2634 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 2635 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [1,0,0,0,0,0|3,0,0]=4 2636 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [1,0,0,0,0,0|3,0,0]=4 2637 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [1,0,0,0,0,0|3,0,0]=4 2638 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 2639 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 2640 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 2641 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 2642 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [1,0,0,0,0,0|3,0,0]=4 2643 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,0,0,0,0,0|2,0,0]=3 2644 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,0,0,0,0,0|2,0,0]=3 2645 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,0,0,0,0,0|2,0,0]=3 2646 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [1,0,0,0,0,0|3,0,0]=4 2647 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [1,0,0,0,0,0|3,0,0]=4 2648 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [1,0,0,0,0,0|3,0,0]=4 2649 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,0,0,0,0,0|2,0,0]=3 2650 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,0,0,0,0,0|2,0,0]=3 2651 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,0,0,0,0,0|2,0,0]=3 2652 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,0,0,0,0,0|2,0,0]=3 2653 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,0,0,0,0,0|2,0,0]=3 2654 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,0,0,0,0,0|2,0,0]=3 2655 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [1,0,0,0,0,0|3,0,0]=4 2656 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [1,0,0,0,0,0|3,0,0]=4 2657 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [1,0,0,0,0,0|3,0,0]=4 2658 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [1,0,0,0,0,0|3,0,0]=4 2659 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [1,0,0,0,0,0|3,0,0]=4 2660 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [1,0,0,0,0,0|3,0,0]=4 2661 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [1,0,0,0,0,0|3,0,0]=4 2662 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [1,0,0,0,0,0|3,0,0]=4 2663 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [1,0,0,0,0,0|3,0,0]=4 2664 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [1,0,0,0,0,0|3,0,0]=4 2665 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [1,0,0,0,0,0|3,0,0]=4 2666 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [1,0,0,0,0,0|3,0,0]=4 2667 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [1,0,0,0,0,0|3,0,0]=4 2668 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [1,0,0,0,0,0|3,0,0]=4 2669 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [1,0,0,0,0,0|3,0,0]=4 2670 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [1,0,0,0,0,0|3,0,0]=4 2671 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [1,0,0,0,0,0|3,0,0]=4 2672 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [1,0,0,0,0,0|3,0,0]=4 2673 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [1,0,0,0,0,0|3,0,0]=4 2674 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [1,0,0,0,0,0|3,0,0]=4 2675 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [1,0,0,0,0,0|3,0,0]=4 2676 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [1,0,0,0,0,0|3,0,0]=4 2677 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [1,0,0,0,0,0|3,0,0]=4 2678 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [1,0,0,0,0,0|3,0,0]=4 2679 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [1,0,0,0,0,0|3,0,0]=4 2680 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [1,0,0,0,0,0|3,0,0]=4 2681 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [1,0,0,0,0,0|3,0,0]=4 2682 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [1,0,0,0,0,0|3,0,0]=4 2683 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [1,0,0,0,0,0|3,0,0]=4 2684 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [1,0,0,0,0,0|3,0,0]=4 2685 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [1,0,0,0,0,0|3,0,0]=4 2686 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [1,0,0,0,0,0|3,0,0]=4 2687 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,0,0,0,0,0|2,0,0]=3 2688 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,0,0,0,0,0|2,0,0]=3 2689 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,0,0,0,0,0|2,0,0]=3 2690 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,0,0,0,0,0|2,0,0]=3 2691 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [1,0,0,0,0,0|3,0,0]=4 2692 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [1,0,0,0,0,0|3,0,0]=4 2693 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [1,0,0,0,0,0|3,0,0]=4 2694 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [1,0,0,0,0,0|3,0,0]=4 2695 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [1,0,0,0,0,0|3,0,0]=4 2696 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [1,0,0,0,0,0|3,0,0]=4 2697 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [1,0,0,0,0,0|3,0,0]=4 2698 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [1,0,0,0,0,0|3,0,0]=4 2699 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [1,0,0,0,0,0|3,0,0]=4 2700 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [1,0,0,0,0,0|3,0,0]=4 2701 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [1,0,0,0,0,0|3,0,0]=4 2702 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [1,0,0,0,0,0|3,0,0]=4 2703 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [1,0,0,0,0,0|2,0,1]=4 2704 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,0,0,0,0,0|2,0,0]=3 2705 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [1,0,0,0,0,0|3,0,0]=4 2706 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,0,0,0,0,0|2,0,0]=3 2707 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,0,0,0,0,0|2,0,0]=3 2708 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,0,0,0,0,0|3,0,0]=4 2709 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,0,0,0,0,0|3,0,0]=4 2710 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,0,0,0,0,0|3,0,0]=4 2711 B11R0.4 C#CCC(=O)C#CCCCCC 1458a_100011215388_100000184674 [0,1,0,0,0,0|0,0,3]=4 2712 B11R0.4 C#CCC(=O)C/C=C/CCCC 1458a_200016282684_100000184674 [0,1,0,0,0,0|0,0,3]=4 2713 B11R0.4 C#CCC(=O)C=CCCCCC 1458a_100016263427_100000184674 [0,1,0,0,0,0|0,0,3]=4 2714 B11R0.4 C#CCC(=O)CCCCCC#N 1458a_100011220946_100009813376 [0,1,0,0,0,0|1,0,2]=4 2715 B11R0.4 C#CCC(=O)CCCCCC=C 1458a_100011220946_100000700193 [0,1,0,0,0,0|0,0,3]=4 2716 B11R0.4 C#CCC(=O)CCCCCC=C 1458a_100011934241_100000184674 [0,1,0,0,0,0|0,0,3]=4 2717 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,1,0,0,0,0|0,0,1]=2 2718 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,1,0,0,0,0|0,0,1]=2 2719 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,1,0,0,0,0|1,0,1]=3 2720 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,1,0,0,0,0|1,0,1]=3 2721 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,1,0,0,0,0|1,0,1]=3 2722 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,1,0,0,0,0|1,0,1]=3 2723 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,1,0,0,0,0|1,0,1]=3 2724 B11R0.4 C#CCC(=O)CCOCCOC 1458a_100000745395_100000184674 [0,1,0,0,0,0|2,0,1]=4 2725 B11R0.4 C#CCC(=O)CCOCCOC 1458a_100011220946_100000695917 [0,1,0,0,0,0|2,0,1]=4 2726 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,1,0,0,0,0|1,0,1]=3 2727 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,1,0,0,0,0|1,0,1]=3 2728 B11R0.4 C#CCC(=O)NCCCOCC 1626a_100000210961_100011220946 [0,1,0,0,0,0|2,0,1]=4 2729 B11R0.4 C#CCC(=O)NCCCOCC 527a_100000210961_100011220946 [0,1,0,0,0,0|2,0,1]=4 2730 B11R0.4 C#CCC(=O)NCCOCCC 1626a_100161115042_100011220946 [0,1,0,0,0,0|2,0,1]=4 2731 B11R0.4 C#CCC(=O)NCCOCCC 527a_100161115042_100011220946 [0,1,0,0,0,0|2,0,1]=4 2732 B11R0.4 C#CCC(=O)NCCSCCC 527a_100020603323_100011220946 [0,1,0,0,0,0|2,0,1]=4 2733 B11R0.4 C#CCCCCCC(=O)C#CC 1458a_100000763181_100012094781 [0,1,0,0,0,0|0,0,3]=4 2734 B11R0.4 C#CCCCCCC(=O)C=CC 1458a_100000210699_100012094781 [0,1,0,0,0,0|0,0,3]=4 2735 B11R0.4 C#CCCCCCC(=O)CC#C 1458a_100000694772_100000184674 [0,1,0,0,0,0|0,0,3]=4 2736 B11R0.4 C#CCCCCCC(=O)CC#C 1458a_100011220946_100012094781 [0,1,0,0,0,0|0,0,3]=4 2737 B11R0.4 C#CCCCCCC(=O)CC#N 1458a_100000694772_100011214920 [0,1,0,0,0,0|0,0,3]=4 2738 B11R0.4 C#CCCCCCC(=O)CC#N 1458a_100051588842_100012094781 [0,1,0,0,0,0|0,0,3]=4 2739 B11R0.4 C#CCCCCCC(=O)CC=C 1458a_100000210193_100012094781 [0,1,0,0,0,0|0,0,3]=4 2740 B11R0.4 C#CCCCCCC(=O)CC=C 1458a_100000694772_100000210623 [0,1,0,0,0,0|0,0,3]=4 2741 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,1,0,0,0,0|0,0,2]=3 2742 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,1,0,0,0,0|0,0,2]=3 2743 B11R0.4 C#CCCCCCC(=O)CCF 1458a_100000694772_100011217306 [0,1,0,0,0,0|0,0,2]=3 2744 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,1,0,0,0,0|0,0,2]=3 2745 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,1,0,0,0,0|0,0,2]=3 2746 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,1,0,0,0,0|0,0,2]=3 2747 B11R0.4 C#CCCCCCC(=O)CSC 1458a_100000184570_100012094781 [0,1,0,0,0,0|0,0,2]=3 2748 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,1,0,0,0,0|0,0,2]=3 2749 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,1,0,0,0,0|0,0,2]=3 2750 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,1,0,0,0,0|0,0,2]=3 2751 B11R0.4 C#CCCCCCC(=O)NNC 22a_100016993582_100000694772 [0,1,0,0,0,0|1,0,2]=4 2752 B11R0.4 C#CCCCCNC(=O)CCC 11a_100000706060_100000211992 [0,1,0,0,0,0|1,0,2]=4 2753 B11R0.4 C#CCCCCNC(=O)CCC 1626a_100000706060_100000211992 [0,1,0,0,0,0|1,0,2]=4 2754 B11R0.4 C#CCCCCNC(=O)CCC 240690a_100000706060_100000211992 [0,1,0,0,0,0|1,0,2]=4 2755 B11R0.4 C#CCCCCNC(=O)CCC 527a_100000706060_100000211992 [0,1,0,0,0,0|1,0,2]=4 2756 B11R0.4 C#CCCCCNC(=O)CCO 240690a_100000706060_100011216618 [0,1,0,0,0,0|1,0,2]=4 2757 B11R0.4 C#CCCCCNC(=O)COC 11a_100000706060_100000210968 [0,1,0,0,0,0|1,0,2]=4 2758 B11R0.4 C#CCCCCNC(=O)COC 1626a_100000706060_100000210968 [0,1,0,0,0,0|1,0,2]=4 2759 B11R0.4 C#CCCCCNC(=O)COC 240690a_100000706060_100000210968 [0,1,0,0,0,0|1,0,2]=4 2760 B11R0.4 C#CCCCCNC(=O)COC 527a_100000706060_100000210968 [0,1,0,0,0,0|1,0,2]=4 2761 B11R0.4 C#CCCCCNC(=O)CSC 11a_100000706060_100000184570 [0,1,0,0,0,0|1,0,2]=4 2762 B11R0.4 C#CCCCCNC(=O)CSC 1626a_100000706060_100000184570 [0,1,0,0,0,0|1,0,2]=4 2763 B11R0.4 C#CCCCCNC(=O)CSC 240690a_100000706060_100000184570 [0,1,0,0,0,0|1,0,2]=4 2764 B11R0.4 C#CCCCCNC(=O)CSC 527a_100000706060_100000184570 [0,1,0,0,0,0|1,0,2]=4 2765 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100000706060_100015525214 [0,1,0,0,0,0|1,0,2]=4 2766 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100015525214_100000706060 [0,1,0,0,0,0|1,0,2]=4 2767 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100000706060_100015525214 [0,1,0,0,0,0|1,0,2]=4 2768 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100015525214_100000706060 [0,1,0,0,0,0|1,0,2]=4 2769 B11R0.4 C#CCCCCNC(=O)NCC 512a_100000706060_100015525214 [0,1,0,0,0,0|1,0,2]=4 2770 B11R0.4 C#CCCCCNC(=O)NCC 512a_100015525214_100000706060 [0,1,0,0,0,0|1,0,2]=4 2771 B11R0.4 C#CCCCNCC(=O)NCC 2230a_100016988866_100000731252 [0,1,0,0,0,0|1,0,2]=4 2772 B11R0.4 C#CCCCNCC(=O)NCC 34a_100000718082_100000183381 [0,1,0,0,0,0|1,0,2]=4 2773 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,1,0,0,0,0|1,0,2]=4 2774 B11R0.4 C#CCCCOCC(=O)CCC 7a_100000215630_100000747444 [0,1,0,0,0,0|1,0,2]=4 2775 B11R0.4 C#CCCCOCC(=O)NCC 34a_100000215630_100000183381 [0,1,0,0,0,0|1,0,2]=4 2776 B11R0.4 C#CCCCOCC(=O)NCC 7a_100000215630_100000183381 [0,1,0,0,0,0|1,0,2]=4 2777 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,1,0,0,0,0|1,0,2]=4 2778 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,1,0,0,0,0|1,0,2]=4 2779 B11R0.4 C#CCCCSCC(=O)CCC 62a_100000747444_100011215417 [0,1,0,0,0,0|1,0,2]=4 2780 B11R0.4 C#CCCCSCC(=O)CCC 62a_100011215417_100000747444 [0,1,0,0,0,0|1,0,2]=4 2781 B11R0.4 C#CCCCSCC(=O)NCC 62a_100000183381_100011215417 [0,1,0,0,0,0|1,0,2]=4 2782 B11R0.4 C#CCCCSCC(=O)NCC 62a_100011215417_100000183381 [0,1,0,0,0,0|1,0,2]=4 2783 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,1,0,0,0,0|1,0,2]=4 2784 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,1,0,0,0,0|1,0,2]=4 2785 B11R0.4 C#CCCNCCC(=O)NCC 34a_100025743525_100000688953 [0,1,0,0,0,0|1,0,2]=4 2786 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [0,1,0,0,0,0|1,0,2]=4 2787 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [0,1,0,0,0,0|1,0,2]=4 2788 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000688953_100000737597 [0,1,0,0,0,0|1,0,2]=4 2789 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000737597_100000688953 [0,1,0,0,0,0|1,0,2]=4 2790 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [0,1,0,0,0,0|1,0,2]=4 2791 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [0,1,0,0,0,0|1,0,2]=4 2792 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000225692_100000210681 [0,1,0,0,0,0|2,0,1]=4 2793 B11R0.4 C#CCN(C)CCCCCCC 2230a_100000228206_100000038162 [0,1,0,0,0,0|2,0,1]=4 2794 B11R0.4 C#CCN(C)CCCCCCC 34a_100000225692_100000210614 [0,1,0,0,0,0|2,0,1]=4 2795 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [0,1,0,0,0,0|1,0,2]=4 2796 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [0,1,0,0,0,0|1,0,2]=4 2797 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [0,1,0,0,0,0|1,0,2]=4 2798 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [0,1,0,0,0,0|1,0,2]=4 2799 B11R0.4 C/C=C/CCOCC(=O)NCC 34a_100016278192_100000183381 [0,1,0,0,0,0|1,0,2]=4 2800 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,1,0,0,0,0|1,0,2]=4 2801 B11R0.4 C/C=C/CNCCC(=O)NCC 34a_100025743525_100102629194 [0,1,0,0,0,0|1,0,2]=4 2802 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,1,0,0,0,0|1,0,2]=4 2803 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100000737597_100102629194 [0,1,0,0,0,0|1,0,2]=4 2804 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100102629194_100000737597 [0,1,0,0,0,0|1,0,2]=4 2805 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,1,0,0,0,0|1,0,2]=4 2806 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,1,0,0,0,0|1,0,2]=4 2807 B11R0.4 C=CCC(=O)C#CCCCCC 1458a_100011215388_100000210623 [0,1,0,0,0,0|0,0,3]=4 2808 B11R0.4 C=CCC(=O)C/C=C/CCCC 1458a_200016282684_100000210623 [0,1,0,0,0,0|0,0,3]=4 2809 B11R0.4 C=CCC(=O)C=CCCCCC 1458a_100016263427_100000210623 [0,1,0,0,0,0|0,0,3]=4 2810 B11R0.4 C=CCC(=O)CCCCCC#N 1458a_100000210193_100009813376 [0,1,0,0,0,0|1,0,2]=4 2811 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|0,0,1]=2 2812 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|0,0,1]=2 2813 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,1,0,0,0,0|1,0,1]=3 2814 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,0,0,0,0|1,0,1]=3 2815 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,0,0,0,0|1,0,1]=3 2816 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,1,0,0,0,0|1,0,1]=3 2817 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,1,0,0,0,0|1,0,1]=3 2818 B11R0.4 C=CCC(=O)CCOCCOC 1458a_100000210193_100000695917 [0,1,0,0,0,0|2,0,1]=4 2819 B11R0.4 C=CCC(=O)CCOCCOC 1458a_100000745395_100000210623 [0,1,0,0,0,0|2,0,1]=4 2820 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,1,0,0,0,0|1,0,1]=3 2821 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,1,0,0,0,0|1,0,1]=3 2822 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,1,0,0,0,0|1,0,1]=3 2823 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,1,0,0,0,0|1,0,1]=3 2824 B11R0.4 C=CCC(=O)NCCCCCO 240690a_100000762737_100000210193 [0,1,0,0,0,0|2,0,1]=4 2825 B11R0.4 C=CCC(=O)NCCCOCC 11a_100000210961_100000210193 [0,1,0,0,0,0|2,0,1]=4 2826 B11R0.4 C=CCC(=O)NCCCOCC 1626a_100000210961_100000210193 [0,1,0,0,0,0|2,0,1]=4 2827 B11R0.4 C=CCC(=O)NCCCOCC 240690a_100000210961_100000210193 [0,1,0,0,0,0|2,0,1]=4 2828 B11R0.4 C=CCC(=O)NCCCOCC 527a_100000210961_100000210193 [0,1,0,0,0,0|2,0,1]=4 2829 B11R0.4 C=CCC(=O)NCCOCCC 1626a_100161115042_100000210193 [0,1,0,0,0,0|2,0,1]=4 2830 B11R0.4 C=CCC(=O)NCCOCCC 240690a_100161115042_100000210193 [0,1,0,0,0,0|2,0,1]=4 2831 B11R0.4 C=CCC(=O)NCCOCCC 527a_100161115042_100000210193 [0,1,0,0,0,0|2,0,1]=4 2832 B11R0.4 C=CCC(=O)NCCSCCC 11a_100020603323_100000210193 [0,1,0,0,0,0|2,0,1]=4 2833 B11R0.4 C=CCC(=O)NCCSCCC 240690a_100020603323_100000210193 [0,1,0,0,0,0|2,0,1]=4 2834 B11R0.4 C=CCC(=O)NCCSCCC 527a_100020603323_100000210193 [0,1,0,0,0,0|2,0,1]=4 2835 B11R0.4 C=CCC(=O)NNCCCCC 22a_100000694160_100000210193 [0,1,0,0,0,0|2,0,1]=4 2836 B11R0.4 C=CCCCCCC(=O)C#CC 1458a_100000763181_100000700193 [0,1,0,0,0,0|0,0,3]=4 2837 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,1,0,0,0,0|0,0,3]=4 2838 B11R0.4 C=CCCCCCC(=O)CC#N 1458a_100011934241_100011214920 [0,1,0,0,0,0|0,0,3]=4 2839 B11R0.4 C=CCCCCCC(=O)CC#N 1458a_100051588842_100000700193 [0,1,0,0,0,0|0,0,3]=4 2840 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100000210193_100000700193 [0,1,0,0,0,0|0,0,3]=4 2841 B11R0.4 C=CCCCCCC(=O)CC=C 1458a_100011934241_100000210623 [0,1,0,0,0,0|0,0,3]=4 2842 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,1,0,0,0,0|0,0,2]=3 2843 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,1,0,0,0,0|0,0,2]=3 2844 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,1,0,0,0,0|0,0,2]=3 2845 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,1,0,0,0,0|0,0,2]=3 2846 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,1,0,0,0,0|0,0,2]=3 2847 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,1,0,0,0,0|0,0,2]=3 2848 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,1,0,0,0,0|0,0,2]=3 2849 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,1,0,0,0,0|0,0,2]=3 2850 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,1,0,0,0,0|0,0,2]=3 2851 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,1,0,0,0,0|0,0,2]=3 2852 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,1,0,0,0,0|1,0,2]=4 2853 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,1,0,0,0,0|1,0,2]=4 2854 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,1,0,0,0,0|1,0,2]=4 2855 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,1,0,0,0,0|1,0,2]=4 2856 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,1,0,0,0,0|1,0,2]=4 2857 B11R0.4 C=CCCCCNC(=O)CCO 240690a_100000703577_100011216618 [0,1,0,0,0,0|1,0,2]=4 2858 B11R0.4 C=CCCCCNC(=O)COC 11a_100000703577_100000210968 [0,1,0,0,0,0|1,0,2]=4 2859 B11R0.4 C=CCCCCNC(=O)COC 1626a_100000703577_100000210968 [0,1,0,0,0,0|1,0,2]=4 2860 B11R0.4 C=CCCCCNC(=O)COC 240690a_100000703577_100000210968 [0,1,0,0,0,0|1,0,2]=4 2861 B11R0.4 C=CCCCCNC(=O)COC 527a_100000703577_100000210968 [0,1,0,0,0,0|1,0,2]=4 2862 B11R0.4 C=CCCCCNC(=O)CSC 11a_100000703577_100000184570 [0,1,0,0,0,0|1,0,2]=4 2863 B11R0.4 C=CCCCCNC(=O)CSC 1626a_100000703577_100000184570 [0,1,0,0,0,0|1,0,2]=4 2864 B11R0.4 C=CCCCCNC(=O)CSC 240690a_100000703577_100000184570 [0,1,0,0,0,0|1,0,2]=4 2865 B11R0.4 C=CCCCCNC(=O)CSC 527a_100000703577_100000184570 [0,1,0,0,0,0|1,0,2]=4 2866 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,1,0,0,0,0|1,0,2]=4 2867 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,1,0,0,0,0|1,0,2]=4 2868 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,1,0,0,0,0|1,0,2]=4 2869 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,1,0,0,0,0|1,0,2]=4 2870 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,1,0,0,0,0|1,0,2]=4 2871 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,1,0,0,0,0|1,0,2]=4 2872 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,1,0,0,0,0|1,0,2]=4 2873 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100000700776_100000183381 [0,1,0,0,0,0|1,0,2]=4 2874 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100016988866_100011713584 [0,1,0,0,0,0|1,0,2]=4 2875 B11R0.4 C=CCCCNCC(=O)NCC 34a_100000700776_100000183381 [0,1,0,0,0,0|1,0,2]=4 2876 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,1,0,0,0,0|1,0,2]=4 2877 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,1,0,0,0,0|1,0,2]=4 2878 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,1,0,0,0,0|1,0,2]=4 2879 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,1,0,0,0,0|1,0,2]=4 2880 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,1,0,0,0,0|1,0,2]=4 2881 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,1,0,0,0,0|1,0,2]=4 2882 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,1,0,0,0,0|1,0,2]=4 2883 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,1,0,0,0,0|1,0,2]=4 2884 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,1,0,0,0,0|1,0,2]=4 2885 B11R0.4 C=CCCCSCC(=O)NCC 62a_100000183381_100000757094 [0,1,0,0,0,0|1,0,2]=4 2886 B11R0.4 C=CCCCSCC(=O)NCC 62a_100011713584_100000183381 [0,1,0,0,0,0|1,0,2]=4 2887 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,1,0,0,0,0|1,0,2]=4 2888 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,1,0,0,0,0|1,0,2]=4 2889 B11R0.4 C=CCCNCCC(=O)NCC 2230a_100015191253_100000737597 [0,1,0,0,0,0|1,0,2]=4 2890 B11R0.4 C=CCCNCCC(=O)NCC 34a_100025743525_100000754431 [0,1,0,0,0,0|1,0,2]=4 2891 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,1,0,0,0,0|1,0,2]=4 2892 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,1,0,0,0,0|1,0,2]=4 2893 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000737597_100000754431 [0,1,0,0,0,0|1,0,2]=4 2894 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000754431_100000737597 [0,1,0,0,0,0|1,0,2]=4 2895 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,1,0,0,0,0|1,0,2]=4 2896 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,1,0,0,0,0|1,0,2]=4 2897 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000225617_100000210681 [0,1,0,0,0,0|2,0,1]=4 2898 B11R0.4 C=CCN(C)CCCCCCC 2230a_100000228206_100000210623 [0,1,0,0,0,0|2,0,1]=4 2899 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000225617_100000210681 [0,1,0,0,0,0|2,0,1]=4 2900 B11R0.4 C=CCN(C)CCCCCCC 269982a_100000228206_100000210623 [0,1,0,0,0,0|2,0,1]=4 2901 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,1,0,0,0,0|1,0,2]=4 2902 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,1,0,0,0,0|1,0,2]=4 2903 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,1,0,0,0,0|1,0,2]=4 2904 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,1,0,0,0,0|1,0,2]=4 2905 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,1,0,0,0,0|1,0,2]=4 2906 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,1,0,0,0,0|1,0,2]=4 2907 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,1,0,0,0,0|1,0,2]=4 2908 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,1,0,0,0,0|1,0,2]=4 2909 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,1,0,0,0,0|1,0,2]=4 2910 B11R0.4 CC#CC(=O)CCCCCC#N 1458a_100000763181_100009813376 [0,1,0,0,0,0|1,0,2]=4 2911 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,1,0,0,0,0|0,0,1]=2 2912 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,1,0,0,0,0|1,0,1]=3 2913 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,1,0,0,0,0|1,0,1]=3 2914 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,1,0,0,0,0|1,0,1]=3 2915 B11R0.4 CC#CC(=O)CCOCCOC 1458a_100000763181_100000695917 [0,1,0,0,0,0|2,0,1]=4 2916 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,1,0,0,0,0|2,0,1]=4 2917 B11R0.4 CC#CCCOCC(=O)NCC 34a_100000750427_100000183381 [0,1,0,0,0,0|1,0,2]=4 2918 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,1,0,0,0,0|1,0,2]=4 2919 B11R0.4 CC#CCNCCC(=O)NCC 2230a_100000685387_100000737597 [0,1,0,0,0,0|1,0,2]=4 2920 B11R0.4 CC#CCNCCC(=O)NCC 34a_100025743525_100000748600 [0,1,0,0,0,0|1,0,2]=4 2921 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [0,1,0,0,0,0|1,0,2]=4 2922 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [0,1,0,0,0,0|1,0,2]=4 2923 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [0,1,0,0,0,0|1,0,2]=4 2924 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000737597_100000748600 [0,1,0,0,0,0|1,0,2]=4 2925 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000748600_100000737597 [0,1,0,0,0,0|1,0,2]=4 2926 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [0,1,0,0,0,0|1,0,2]=4 2927 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [0,1,0,0,0,0|1,0,2]=4 2928 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,1,0,0,0,0|1,0,2]=4 2929 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,1,0,0,0,0|1,0,2]=4 2930 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,1,0,0,0,0|1,0,2]=4 2931 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,1,0,0,0,0|1,0,2]=4 2932 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,1,0,0,0,0|1,0,2]=4 2933 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,1,0,0,0,0|1,0,2]=4 2934 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,1,0,0,0,0|1,0,2]=4 2935 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,1,0,0,0,0|1,0,2]=4 2936 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,1,0,0,0,0|1,0,2]=4 2937 B11R0.4 CC=CC(=O)CCCCCC#N 1458a_100000210699_100009813376 [0,1,0,0,0,0|1,0,2]=4 2938 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|0,0,1]=2 2939 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,1,0,0,0,0|1,0,1]=3 2940 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,1,0,0,0,0|1,0,1]=3 2941 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,1,0,0,0,0|1,0,1]=3 2942 B11R0.4 CC=CC(=O)CCOCCOC 1458a_100000210699_100000695917 [0,1,0,0,0,0|2,0,1]=4 2943 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,1,0,0,0,0|1,0,1]=3 2944 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,1,0,0,0,0|1,0,1]=3 2945 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,1,0,0,0,0|1,0,1]=3 2946 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,1,0,0,0,0|2,0,1]=4 2947 B11R0.4 CC=CC(=O)NCCCOCC 11a_100000210961_100000210699 [0,1,0,0,0,0|2,0,1]=4 2948 B11R0.4 CC=CC(=O)NCCCOCC 1626a_100000210961_100000210699 [0,1,0,0,0,0|2,0,1]=4 2949 B11R0.4 CC=CC(=O)NCCCOCC 240690a_100000210961_100000210699 [0,1,0,0,0,0|2,0,1]=4 2950 B11R0.4 CC=CC(=O)NCCOCCC 1626a_100161115042_100000210699 [0,1,0,0,0,0|2,0,1]=4 2951 B11R0.4 CC=CC(=O)NCCOCCC 240690a_100161115042_100000210699 [0,1,0,0,0,0|2,0,1]=4 2952 B11R0.4 CC=CC(=O)NCCSCCC 11a_100020603323_100000210699 [0,1,0,0,0,0|2,0,1]=4 2953 B11R0.4 CC=CC(=O)NCCSCCC 240690a_100020603323_100000210699 [0,1,0,0,0,0|2,0,1]=4 2954 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,1,0,0,0,0|2,0,1]=4 2955 B11R0.4 CC=CCNCCC(=O)NCC 34a_100025743525_100000070051 [0,1,0,0,0,0|1,0,2]=4 2956 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000070051_100000737597 [0,1,0,0,0,0|1,0,2]=4 2957 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000737597_100000070051 [0,1,0,0,0,0|1,0,2]=4 2958 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,1,0,0,0,0|1,0,2]=4 2959 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,1,0,0,0,0|1,0,2]=4 2960 B11R0.4 CCC#CCNCC(=O)NCC 2230a_100016988866_100009813939 [0,1,0,0,0,0|1,0,2]=4 2961 B11R0.4 CCC#CCOCC(=O)NCC 34a_100000032950_100000183381 [0,1,0,0,0,0|1,0,2]=4 2962 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,1,0,0,0,0|1,0,2]=4 2963 B11R0.4 CCC#CCSCC(=O)CCC 62a_100000747444_100009813939 [0,1,0,0,0,0|1,0,2]=4 2964 B11R0.4 CCC#CCSCC(=O)CCC 62a_100009813939_100000747444 [0,1,0,0,0,0|1,0,2]=4 2965 B11R0.4 CCC#CCSCC(=O)NCC 62a_100000183381_100009813939 [0,1,0,0,0,0|1,0,2]=4 2966 B11R0.4 CCC#CCSCC(=O)NCC 62a_100009813939_100000183381 [0,1,0,0,0,0|1,0,2]=4 2967 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [0,1,0,0,0,0|1,0,2]=4 2968 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [0,1,0,0,0,0|1,0,2]=4 2969 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,1,0,0,0,0|1,0,1]=3 2970 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,0,0,0,0|1,0,0]=2 2971 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,0,0,0,0|1,0,0]=2 2972 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,0,0,0,0|1,0,0]=2 2973 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,0,0,0,0|1,0,0]=2 2974 B11R0.4 CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210303 [0,1,0,0,0,0|3,0,0]=4 2975 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,1,0,0,0,0|2,0,0]=3 2976 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,1,0,0,0,0|2,0,0]=3 2977 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,1,0,0,0,0|2,0,0]=3 2978 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,1,0,0,0,0|2,0,0]=3 2979 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,1,0,0,0,0|2,0,0]=3 2980 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,1,0,0,0,0|2,0,0]=3 2981 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,1,0,0,0,0|2,0,0]=3 2982 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,1,0,0,0,0|2,0,0]=3 2983 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,1,0,0,0,0|2,0,0]=3 2984 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,1,0,0,0,0|2,0,0]=3 2985 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,1,0,0,0,0|2,0,0]=3 2986 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000687738_100000747444 [0,1,0,0,0,0|2,0,1]=4 2987 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000747444_100000687738 [0,1,0,0,0,0|2,0,1]=4 2988 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,1,0,0,0,0|2,0,1]=4 2989 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,1,0,0,0,0|2,0,1]=4 2990 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,1,0,0,0,0|2,0,0]=3 2991 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,1,0,0,0,0|2,0,0]=3 2992 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,1,0,0,0,0|2,0,0]=3 2993 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,1,0,0,0,0|2,0,0]=3 2994 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,1,0,0,0,0|2,0,0]=3 2995 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,1,0,0,0,0|2,0,0]=3 2996 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,1,0,0,0,0|2,0,0]=3 2997 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,1,0,0,0,0|2,0,0]=3 2998 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,1,0,0,0,0|2,0,0]=3 2999 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,1,0,0,0,0|2,0,0]=3 3000 B11R0.4 CCCC(=O)NCCCCC#N 11a_100000751965_100000211992 [0,1,0,0,0,0|2,0,1]=4 3001 B11R0.4 CCCC(=O)NCCCCC#N 1626a_100000751965_100000211992 [0,1,0,0,0,0|2,0,1]=4 3002 B11R0.4 CCCC(=O)NCCCCC#N 240690a_100000751965_100000211992 [0,1,0,0,0,0|2,0,1]=4 3003 B11R0.4 CCCC(=O)NCCCCC#N 527a_100000751965_100000211992 [0,1,0,0,0,0|2,0,1]=4 3004 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,1,0,0,0,0|2,0,0]=3 3005 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,1,0,0,0,0|2,0,0]=3 3006 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,1,0,0,0,0|2,0,0]=3 3007 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,1,0,0,0,0|2,0,0]=3 3008 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,1,0,0,0,0|2,0,0]=3 3009 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,1,0,0,0,0|3,0,0]=4 3010 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,1,0,0,0,0|3,0,0]=4 3011 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,1,0,0,0,0|3,0,0]=4 3012 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,1,0,0,0,0|3,0,0]=4 3013 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,1,0,0,0,0|3,0,0]=4 3014 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,1,0,0,0,0|3,0,0]=4 3015 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,1,0,0,0,0|3,0,0]=4 3016 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,1,0,0,0,0|3,0,0]=4 3017 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,1,0,0,0,0|3,0,0]=4 3018 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,1,0,0,0,0|3,0,0]=4 3019 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,1,0,0,0,0|3,0,0]=4 3020 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,1,0,0,0,0|3,0,0]=4 3021 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,1,0,0,0,0|3,0,0]=4 3022 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,1,0,0,0,0|3,0,0]=4 3023 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,1,0,0,0,0|3,0,0]=4 3024 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,1,0,0,0,0|3,0,0]=4 3025 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,1,0,0,0,0|3,0,0]=4 3026 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,1,0,0,0,0|3,0,0]=4 3027 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,1,0,0,0,0|3,0,0]=4 3028 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,1,0,0,0,0|3,0,0]=4 3029 B11R0.4 CCCC/C=C/CC(=O)CC#N 1458a_200016282684_100011214920 [0,1,0,0,0,0|0,0,3]=4 3030 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,1,0,0,0,0|0,0,2]=3 3031 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,1,0,0,0,0|0,0,2]=3 3032 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,1,0,0,0,0|0,0,2]=3 3033 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,1,0,0,0,0|0,0,2]=3 3034 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,1,0,0,0,0|0,0,2]=3 3035 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,1,0,0,0,0|0,0,2]=3 3036 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,1,0,0,0,0|1,0,2]=4 3037 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,1,0,0,0,0|2,0,1]=4 3038 B11R0.4 CCCCC=NNC(=O)COC 4a_100000216845_100000210104 [0,1,0,0,0,0|2,0,1]=4 3039 B11R0.4 CCCCCC#CC(=O)CC#N 1458a_100011215388_100011214920 [0,1,0,0,0,0|0,0,3]=4 3040 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,1,0,0,0,0|0,0,2]=3 3041 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,1,0,0,0,0|0,0,2]=3 3042 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,0,0,0,0|0,0,2]=3 3043 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,1,0,0,0,0|0,0,2]=3 3044 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,1,0,0,0,0|1,0,2]=4 3045 B11R0.4 CCCCCC=CC(=O)CC#N 1458a_100016263427_100011214920 [0,1,0,0,0,0|0,0,3]=4 3046 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,1,0,0,0,0|0,0,2]=3 3047 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,1,0,0,0,0|0,0,2]=3 3048 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|0,0,2]=3 3049 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,0,0,0,0|0,0,2]=3 3050 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,0,0,0,0|0,0,2]=3 3051 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,1,0,0,0,0|1,0,2]=4 3052 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,1,0,0,0,0|0,0,2]=3 3053 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,1,0,0,0,0|0,0,2]=3 3054 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,1,0,0,0,0|0,0,2]=3 3055 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,1,0,0,0,0|0,0,1]=2 3056 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,1,0,0,0,0|0,0,1]=2 3057 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|0,0,0]=1 3058 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|0,0,0]=1 3059 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|0,0,0]=1 3060 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|0,0,0]=1 3061 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|0,0,0]=1 3062 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|0,0,0]=1 3063 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|0,0,0]=1 3064 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|0,0,0]=1 3065 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|0,0,0]=1 3066 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|0,0,0]=1 3067 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,1,0,0,0,0|1,0,0]=2 3068 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,1,0,0,0,0|1,0,1]=3 3069 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,1,0,0,0,0|1,0,1]=3 3070 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,1,0,0,0,0|1,0,1]=3 3071 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,1,0,0,0,0|1,0,1]=3 3072 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,1,0,0,0,0|1,0,1]=3 3073 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,1,0,0,0,0|2,0,1]=4 3074 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,1,0,0,0,0|2,0,1]=4 3075 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,1,0,0,0,0|1,0,1]=3 3076 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,1,0,0,0,0|1,0,1]=3 3077 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,1,0,0,0,0|2,0,1]=4 3078 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,1,0,0,0,0|2,0,1]=4 3079 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000228206_100011215382 [0,1,0,0,0,0|2,0,1]=4 3080 B11R0.4 CCCCCCCN(C)CC#N 2230a_100000748184_100000210681 [0,1,0,0,0,0|2,0,1]=4 3081 B11R0.4 CCCCCCCN(C)CC#N 269982a_100000228206_100011214920 [0,1,0,0,0,0|2,0,1]=4 3082 B11R0.4 CCCCCCCN(C)CC=O 2230a_100000228206_200015260668 [0,1,0,0,0,0|2,0,1]=4 3083 B11R0.4 CCCCCCCN(C)CC=O 269982a_100000228206_200015260668 [0,1,0,0,0,0|2,0,1]=4 3084 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,1,0,0,0,0|2,0,0]=3 3085 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,1,0,0,0,0|2,0,0]=3 3086 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,1,0,0,0,0|2,0,0]=3 3087 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,1,0,0,0,0|2,0,0]=3 3088 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,1,0,0,0,0|2,0,0]=3 3089 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,1,0,0,0,0|2,0,0]=3 3090 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,1,0,0,0,0|2,0,0]=3 3091 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,1,0,0,0,0|2,0,0]=3 3092 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,1,0,0,0,0|2,0,0]=3 3093 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,1,0,0,0,0|2,0,0]=3 3094 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,1,0,0,0,0|2,0,0]=3 3095 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,1,0,0,0,0|2,0,0]=3 3096 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,1,0,0,0,0|2,0,0]=3 3097 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,1,0,0,0,0|2,0,0]=3 3098 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,1,0,0,0,0|1,0,2]=4 3099 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,1,0,0,0,0|1,0,2]=4 3100 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,1,0,0,0,0|1,0,2]=4 3101 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,1,0,0,0,0|1,0,2]=4 3102 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,1,0,0,0,0|1,0,2]=4 3103 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,1,0,0,0,0|1,0,2]=4 3104 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,1,0,0,0,0|1,0,1]=3 3105 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,1,0,0,0,0|1,0,1]=3 3106 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 3107 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 3108 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 3109 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 3110 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|1,0,0]=2 3111 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,0,0,0,0|1,0,0]=2 3112 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,0,0,0,0|1,0,0]=2 3113 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,0,0,0,0|1,0,0]=2 3114 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,0,0,0,0|1,0,0]=2 3115 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,0,0,0,0|1,0,0]=2 3116 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,0,0,0,0|1,0,0]=2 3117 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,0,0,0,0|1,0,0]=2 3118 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,0,0,0,0|1,0,0]=2 3119 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,0,0,0,0|1,0,0]=2 3120 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,0,0,0,0|1,0,0]=2 3121 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,0,0,0,0|1,0,0]=2 3122 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,0,0,0,0|1,0,0]=2 3123 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,0,0,0,0|1,0,0]=2 3124 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,0,0,0,0|1,0,0]=2 3125 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,0,0,0,0|1,0,0]=2 3126 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,0,0,0,0|1,0,0]=2 3127 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,0,0,0,0|1,0,0]=2 3128 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,0,0,0,0|1,0,0]=2 3129 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,0,0,0,0|1,0,0]=2 3130 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,0,0,0,0|1,0,0]=2 3131 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,1,0,0,0,0|2,0,0]=3 3132 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,1,0,0,0,0|2,0,0]=3 3133 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,1,0,0,0,0|2,0,0]=3 3134 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,1,0,0,0,0|2,0,1]=4 3135 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,1,0,0,0,0|2,0,1]=4 3136 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,1,0,0,0,0|2,0,1]=4 3137 B11R0.4 CCCCCCNC(C)CCO 2230a_100000210581_100009893172 [0,1,0,0,0,0|2,0,1]=4 3138 B11R0.4 CCCCCCNC(C)COC 2230a_100000210581_100000765312 [0,1,0,0,0,0|2,0,1]=4 3139 B11R0.4 CCCCCCNC(C)COC 270004a_100000210581_100000749346 [0,1,0,0,0,0|2,0,1]=4 3140 B11R0.4 CCCCCCNC(C)CSC 270004a_100000210581_100011216314 [0,1,0,0,0,0|2,0,1]=4 3141 B11R0.4 CCCCCCN[C@H](C)CCO 2230a_100000706166_100000210314 [0,1,0,0,0,0|2,0,1]=4 3142 B11R0.4 CCCCCCN[C@H](C)CCO 34a_100000706166_100000210314 [0,1,0,0,0,0|2,0,1]=4 3143 B11R0.4 CCCCCCN[C@H](C)COC 2230a_100000764878_100000210314 [0,1,0,0,0,0|2,0,1]=4 3144 B11R0.4 CCCCCCOC(C)CCBr 34a_100012276601_100000210314 [0,1,0,0,0,0|2,0,1]=4 3145 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,1,0,0,0,0|2,0,1]=4 3146 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,1,0,0,0,0|2,0,1]=4 3147 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,1,0,0,0,0|2,0,1]=4 3148 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,1,0,0,0,0|2,0,1]=4 3149 B11R0.4 CCCCCCOC(C)CCO 34a_100000210259_100009893172 [0,1,0,0,0,0|2,0,1]=4 3150 B11R0.4 CCCCCCOC(C)CCO 7a_100000210259_100009893172 [0,1,0,0,0,0|2,0,1]=4 3151 B11R0.4 CCCCCCOC(C)COC 34a_100000210259_100000765312 [0,1,0,0,0,0|2,0,1]=4 3152 B11R0.4 CCCCCCOC(C)COC 7a_100000210259_100000765312 [0,1,0,0,0,0|2,0,1]=4 3153 B11R0.4 CCCCCCO[C@H](C)COC 34a_100011934205_100000210314 [0,1,0,0,0,0|2,0,1]=4 3154 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,1,0,0,0,0|2,0,1]=4 3155 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,1,0,0,0,0|2,0,1]=4 3156 B11R0.4 CCCCCCSC(C)CCO 62a_100000210314_100009893172 [0,1,0,0,0,0|2,0,1]=4 3157 B11R0.4 CCCCCCSC(C)CCO 62a_100009893172_100000210757 [0,1,0,0,0,0|2,0,1]=4 3158 B11R0.4 CCCCCCSC(C)COC 62a_100000210314_100000765312 [0,1,0,0,0,0|2,0,1]=4 3159 B11R0.4 CCCCCCSC(C)COC 62a_100000765312_100000210757 [0,1,0,0,0,0|2,0,1]=4 3160 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,0,0,0,0|1,0,0]=2 3161 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,1,0,0,0,0|1,0,0]=2 3162 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,1,0,0,0,0|1,0,0]=2 3163 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,1,0,0,0,0|2,0,0]=3 3164 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,1,0,0,0,0|1,0,0]=2 3165 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,1,0,0,0,0|2,0,1]=4 3166 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,1,0,0,0,0|2,0,1]=4 3167 B11R0.4 CCCCCNCC(O)COC 2230a_100000756049_100000210326 [0,1,0,0,0,0|1,0,2]=4 3168 B11R0.4 CCCCCNCC(O)COC 34a_100000756049_100000718602 [0,1,0,0,0,0|1,0,2]=4 3169 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,1,0,0,0,0|3,0,0]=4 3170 B11R0.4 CCCCCNN=C(C)COC 4a_100000694160_100000749346 [0,1,0,0,0,0|3,0,0]=4 3171 B11R0.4 CCCCCNN=C(C)CSC 4a_100000694160_100011216314 [0,1,0,0,0,0|3,0,0]=4 3172 B11R0.4 CCCCCNNC(=O)CC#N 22a_100000694160_100051588842 [0,1,0,0,0,0|2,0,1]=4 3173 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,1,0,0,0,0|2,0,0]=3 3174 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,0,0,0,0|2,0,0]=3 3175 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,1,0,0,0,0|2,0,0]=3 3176 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,1,0,0,0,0|2,0,0]=3 3177 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,1,0,0,0,0|2,0,0]=3 3178 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,1,0,0,0,0|2,0,0]=3 3179 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,1,0,0,0,0|2,0,0]=3 3180 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,1,0,0,0,0|3,0,0]=4 3181 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,1,0,0,0,0|3,0,0]=4 3182 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,0,0,0,0|1,0,0]=2 3183 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,1,0,0,0,0|1,0,0]=2 3184 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,1,0,0,0,0|1,0,0]=2 3185 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,0,0,0,0|2,0,0]=3 3186 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,0,0,0,0|2,0,0]=3 3187 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,1,0,0,0,0|1,0,0]=2 3188 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,1,0,0,0,0|1,0,0]=2 3189 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,1,0,0,0,0|2,0,1]=4 3190 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,1,0,0,0,0|2,0,1]=4 3191 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,1,0,0,0,0|2,0,1]=4 3192 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,1,0,0,0,0|2,0,1]=4 3193 B11R0.4 CCCCCOCC(C)CCN 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,1]=4 3194 B11R0.4 CCCCCOCC(N)COC 34a_100000724102_100000718602 [0,1,0,0,0,0|2,0,1]=4 3195 B11R0.4 CCCCCOCC(O)COC 34a_100000210253_100011215053 [0,1,0,0,0,0|1,0,2]=4 3196 B11R0.4 CCCCCOCC(O)COC 7a_100000210253_100011215053 [0,1,0,0,0,0|1,0,2]=4 3197 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,1,0,0,0,0|2,0,1]=4 3198 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,0,0,0,0|1,0,0]=2 3199 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,0,0,0,0|1,0,0]=2 3200 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,1,0,0,0,0|1,0,0]=2 3201 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,1,0,0,0,0|1,0,0]=2 3202 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,1,0,0,0,0|2,0,0]=3 3203 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,1,0,0,0,0|2,0,0]=3 3204 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,1,0,0,0,0|1,0,0]=2 3205 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,1,0,0,0,0|1,0,0]=2 3206 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,1,0,0,0,0|2,0,1]=4 3207 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,1,0,0,0,0|2,0,1]=4 3208 B11R0.4 CCCCCSCC(O)COC 62a_100000210326_100011215053 [0,1,0,0,0,0|1,0,2]=4 3209 B11R0.4 CCCCCSCC(O)COC 62a_100011215053_100000210326 [0,1,0,0,0,0|1,0,2]=4 3210 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,1,0,0,0,0|1,0,0]=2 3211 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,1,0,0,0,0|1,0,0]=2 3212 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,1,0,0,0,0|1,0,0]=2 3213 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,1,0,0,0,0|1,0,0]=2 3214 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,1,0,0,0,0|1,0,0]=2 3215 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,1,0,0,0,0|2,0,0]=3 3216 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,1,0,0,0,0|2,0,1]=4 3217 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,1,0,0,0,0|1,0,2]=4 3218 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,1,0,0,0,0|1,0,2]=4 3219 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,1,0,0,0,0|1,0,2]=4 3220 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,1,0,0,0,0|1,0,1]=3 3221 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,1,0,0,0,0|1,0,0]=2 3222 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,1,0,0,0,0|1,0,0]=2 3223 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,1,0,0,0,0|1,0,0]=2 3224 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,1,0,0,0,0|1,0,0]=2 3225 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,1,0,0,0,0|1,0,0]=2 3226 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,1,0,0,0,0|1,0,0]=2 3227 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,1,0,0,0,0|1,0,0]=2 3228 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,1,0,0,0,0|2,0,1]=4 3229 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,1,0,0,0,0|2,0,1]=4 3230 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 3231 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 3232 B11R0.4 CCCCOCCN(C)CCO 2230a_100000210263_100000743108 [0,1,0,0,0,0|3,0,0]=4 3233 B11R0.4 CCCCOCCN(C)CCO 269982a_100000210263_100000743108 [0,1,0,0,0,0|3,0,0]=4 3234 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,1,0,0,0,0|2,0,1]=4 3235 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,1,0,0,0,0|2,0,0]=3 3236 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,1,0,0,0,0|1,0,0]=2 3237 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,1,0,0,0,0|1,0,0]=2 3238 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,1,0,0,0,0|1,0,0]=2 3239 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,1,0,0,0,0|1,0,0]=2 3240 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,1,0,0,0,0|2,0,0]=3 3241 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,1,0,0,0,0|2,0,0]=3 3242 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,1,0,0,0,0|3,0,0]=4 3243 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,1,0,0,0,0|3,0,0]=4 3244 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,1,0,0,0,0|3,0,0]=4 3245 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,1,0,0,0,0|3,0,0]=4 3246 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,1,0,0,0,0|1,0,2]=4 3247 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,0,0,0,0|1,0,0]=2 3248 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,0,0,0,0|1,0,0]=2 3249 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,1,0,0,0,0|2,0,1]=4 3250 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,1,0,0,0,0|2,0,1]=4 3251 B11R0.4 CCCOCCNC(=O)CC#N 1626a_100161115042_100051588842 [0,1,0,0,0,0|2,0,1]=4 3252 B11R0.4 CCCOCCNC(=O)CC#N 240690a_100161115042_100051588842 [0,1,0,0,0,0|2,0,1]=4 3253 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,1,0,0,0,0|2,0,0]=3 3254 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,1,0,0,0,0|2,0,0]=3 3255 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,1,0,0,0,0|2,0,0]=3 3256 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,0,0,0,0|2,0,0]=3 3257 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 3258 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 3259 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,0,0,0,0|2,0,0]=3 3260 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,1,0,0,0,0|2,0,0]=3 3261 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,1,0,0,0,0|2,0,0]=3 3262 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,1,0,0,0,0|2,0,0]=3 3263 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 3264 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 3265 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 3266 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 3267 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 3268 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 3269 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 3270 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,1,0,0,0,0|3,0,0]=4 3271 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 3272 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,1,0,0,0,0|2,0,0]=3 3273 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,1,0,0,0,0|1,0,2]=4 3274 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,1,0,0,0,0|1,0,2]=4 3275 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,0,0,0,0|1,0,0]=2 3276 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,0,0,0,0|1,0,0]=2 3277 B11R0.4 CCCSCCNC(=O)CC#N 240690a_100020603323_100051588842 [0,1,0,0,0,0|2,0,1]=4 3278 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,1,0,0,0,0|2,0,0]=3 3279 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,1,0,0,0,0|2,0,0]=3 3280 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,1,0,0,0,0|2,0,0]=3 3281 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,0,0,0,0|2,0,0]=3 3282 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 3283 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 3284 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,0,0,0,0|2,0,0]=3 3285 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,1,0,0,0,0|2,0,0]=3 3286 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,1,0,0,0,0|2,0,0]=3 3287 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,1,0,0,0,0|2,0,0]=3 3288 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 3289 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 3290 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 3291 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 3292 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 3293 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 3294 B11R0.4 CCCSCCNC(=O)NNC 273464a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 3295 B11R0.4 CCCSCCNC(=O)NNC 512a_100016993582_100020603323 [0,1,0,0,0,0|3,0,0]=4 3296 B11R0.4 CCCSCCNC(=O)NNC 512a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 3297 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,1,0,0,0,0|2,0,0]=3 3298 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,0,0,0,0|1,0,0]=2 3299 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,1,0,0,0,0|1,0,0]=2 3300 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,1,0,0,0,0|1,0,0]=2 3301 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,1,0,0,0,0|1,0,0]=2 3302 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 11a_100015525214_100000070148 [0,1,0,0,0,0|3,0,0]=4 3303 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 240690a_100015525214_100000070148 [0,1,0,0,0,0|3,0,0]=4 3304 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 527a_100015525214_100000070148 [0,1,0,0,0,0|3,0,0]=4 3305 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,1,0,0,0,0|2,0,0]=3 3306 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,1,0,0,0,0|2,0,0]=3 3307 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,1,0,0,0,0|2,0,0]=3 3308 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,1,0,0,0,0|2,0,0]=3 3309 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,1,0,0,0,0|2,0,0]=3 3310 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [0,1,0,0,0,0|2,0,0]=3 3311 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [0,1,0,0,0,0|2,0,0]=3 3312 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,1,0,0,0,0|2,0,0]=3 3313 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,1,0,0,0,0|2,0,0]=3 3314 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,1,0,0,0,0|2,0,0]=3 3315 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,1,0,0,0,0|2,0,0]=3 3316 B11R0.4 CCNC(=O)CCSCCC#N 62a_100000737597_100011215226 [0,1,0,0,0,0|2,0,1]=4 3317 B11R0.4 CCNC(=O)CCSCCC#N 62a_100011215226_100000737597 [0,1,0,0,0,0|2,0,1]=4 3318 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,1,0,0,0,0|2,0,0]=3 3319 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,1,0,0,0,0|2,0,0]=3 3320 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,1,0,0,0,0|2,0,0]=3 3321 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,1,0,0,0,0|2,0,0]=3 3322 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,1,0,0,0,0|2,0,0]=3 3323 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,1,0,0,0,0|2,0,0]=3 3324 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [0,1,0,0,0,0|2,0,0]=3 3325 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [0,1,0,0,0,0|2,0,0]=3 3326 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [0,1,0,0,0,0|2,0,0]=3 3327 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [0,1,0,0,0,0|2,0,0]=3 3328 B11R0.4 CCNC(=O)CNCCCC#N 2230a_100016988866_100000687738 [0,1,0,0,0,0|2,0,1]=4 3329 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,1,0,0,0,0|2,0,1]=4 3330 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,1,0,0,0,0|2,0,0]=3 3331 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,1,0,0,0,0|2,0,0]=3 3332 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,1,0,0,0,0|2,0,0]=3 3333 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,1,0,0,0,0|2,0,0]=3 3334 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,1,0,0,0,0|2,0,0]=3 3335 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,1,0,0,0,0|2,0,0]=3 3336 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,1,0,0,0,0|2,0,0]=3 3337 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,1,0,0,0,0|2,0,0]=3 3338 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,1,0,0,0,0|2,0,0]=3 3339 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,1,0,0,0,0|2,0,0]=3 3340 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,1,0,0,0,0|2,0,0]=3 3341 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,1,0,0,0,0|2,0,0]=3 3342 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,1,0,0,0,0|2,0,0]=3 3343 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,1,0,0,0,0|2,0,0]=3 3344 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,1,0,0,0,0|2,0,0]=3 3345 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,1,0,0,0,0|2,0,0]=3 3346 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,1,0,0,0,0|2,0,0]=3 3347 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,1,0,0,0,0|2,0,0]=3 3348 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,1,0,0,0,0|2,0,0]=3 3349 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,1,0,0,0,0|2,0,0]=3 3350 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,1,0,0,0,0|2,0,0]=3 3351 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,1,0,0,0,0|2,0,0]=3 3352 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,1,0,0,0,0|2,0,0]=3 3353 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,1,0,0,0,0|2,0,0]=3 3354 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,1,0,0,0,0|2,0,0]=3 3355 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,1,0,0,0,0|2,0,0]=3 3356 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,1,0,0,0,0|2,0,0]=3 3357 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000183381_100000687738 [0,1,0,0,0,0|2,0,1]=4 3358 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000687738_100000183381 [0,1,0,0,0,0|2,0,1]=4 3359 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,1,0,0,0,0|2,0,1]=4 3360 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,1,0,0,0,0|2,0,1]=4 3361 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,1,0,0,0,0|2,0,0]=3 3362 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,1,0,0,0,0|2,0,0]=3 3363 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,1,0,0,0,0|2,0,0]=3 3364 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,1,0,0,0,0|2,0,0]=3 3365 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,1,0,0,0,0|2,0,0]=3 3366 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,1,0,0,0,0|2,0,0]=3 3367 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,1,0,0,0,0|2,0,0]=3 3368 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,1,0,0,0,0|2,0,0]=3 3369 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,1,0,0,0,0|2,0,0]=3 3370 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,1,0,0,0,0|2,0,0]=3 3371 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 3372 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 3373 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 3374 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 3375 B11R0.4 CCNC(=O)NCCCCC#N 512a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 3376 B11R0.4 CCNC(=O)NCCCCC#N 512a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 3377 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 3378 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,1,0,0,0,0|2,0,0]=3 3379 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 3380 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,1,0,0,0,0|2,0,0]=3 3381 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 3382 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 3383 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 3384 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 3385 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 3386 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 3387 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 3388 B11R0.4 CCNC(=O)NCCOCCO 2708a_100015525214_100000211614 [0,1,0,0,0,0|3,0,0]=4 3389 B11R0.4 CCNC(=O)NCCOCCO 273464a_100000211614_100015525214 [0,1,0,0,0,0|3,0,0]=4 3390 B11R0.4 CCNC(=O)NCCOCCO 273464a_100015525214_100000211614 [0,1,0,0,0,0|3,0,0]=4 3391 B11R0.4 CCNC(=O)NCCOCCO 512a_100000211614_100015525214 [0,1,0,0,0,0|3,0,0]=4 3392 B11R0.4 CCNC(=O)NCCSCCO 2708a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 3393 B11R0.4 CCNC(=O)NCCSCCO 273464a_100011219999_100015525214 [0,1,0,0,0,0|3,0,0]=4 3394 B11R0.4 CCNC(=O)NCCSCCO 273464a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 3395 B11R0.4 CCNC(=O)NCCSCCO 512a_100011219999_100015525214 [0,1,0,0,0,0|3,0,0]=4 3396 B11R0.4 CCNC(=O)NCCSCCO 512a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 3397 B11R0.4 CCNC(=O)NNCCCOC 273464a_100015525214_100025702787 [0,1,0,0,0,0|3,0,0]=4 3398 B11R0.4 CCNC(=O)NNCCCOC 512a_100015525214_100025702787 [0,1,0,0,0,0|3,0,0]=4 3399 B11R0.4 CCNC(=O)NNCCOCC 273464a_100015525214_100000732670 [0,1,0,0,0,0|3,0,0]=4 3400 B11R0.4 CCNC(=O)NNCCOCC 512a_100000732670_100015525214 [0,1,0,0,0,0|3,0,0]=4 3401 B11R0.4 CCNC(=O)NNCCOCC 512a_100015525214_100000732670 [0,1,0,0,0,0|3,0,0]=4 3402 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,0,0,0,0|1,0,0]=2 3403 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,1,0,0,0,0|2,0,0]=3 3404 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,1,0,0,0,0|1,0,0]=2 3405 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,1,0,0,0,0|1,0,0]=2 3406 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,1,0,0,0,0|1,0,0]=2 3407 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,1,0,0,0,0|1,0,0]=2 3408 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,1,0,0,0,0|1,0,0]=2 3409 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,1,0,0,0,0|1,0,0]=2 3410 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,1,0,0,0,0|1,0,0]=2 3411 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,1,0,0,0,0|1,0,0]=2 3412 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,1,0,0,0,0|1,0,0]=2 3413 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,1,0,0,0,0|1,0,0]=2 3414 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,0,0,0,0|1,0,0]=2 3415 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,0,0,0,0|1,0,0]=2 3416 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,1,0,0,0,0|2,0,0]=3 3417 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,1,0,0,0,0|2,0,0]=3 3418 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,1,0,0,0,0|2,0,0]=3 3419 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,1,0,0,0,0|2,0,0]=3 3420 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,1,0,0,0,0|2,0,0]=3 3421 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [0,1,0,0,0,0|2,0,1]=4 3422 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,1,0,0,0,0|2,0,1]=4 3423 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,1,0,0,0,0|2,0,0]=3 3424 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,1,0,0,0,0|2,0,0]=3 3425 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,1,0,0,0,0|2,0,0]=3 3426 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,1,0,0,0,0|2,0,0]=3 3427 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [0,1,0,0,0,0|2,0,1]=4 3428 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [0,1,0,0,0,0|2,0,1]=4 3429 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,1,0,0,0,0|2,0,1]=4 3430 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,1,0,0,0,0|2,0,1]=4 3431 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,1,0,0,0,0|2,0,0]=3 3432 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,1,0,0,0,0|2,0,0]=3 3433 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,1,0,0,0,0|2,0,0]=3 3434 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,1,0,0,0,0|2,0,0]=3 3435 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,1,0,0,0,0|2,0,0]=3 3436 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,1,0,0,0,0|2,0,0]=3 3437 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,1,0,0,0,0|2,0,0]=3 3438 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,1,0,0,0,0|2,0,0]=3 3439 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,1,0,0,0,0|2,0,0]=3 3440 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,1,0,0,0,0|2,0,0]=3 3441 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,1,0,0,0,0|2,0,0]=3 3442 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,1,0,0,0,0|2,0,0]=3 3443 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,1,0,0,0,0|2,0,0]=3 3444 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,1,0,0,0,0|2,0,0]=3 3445 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,1,0,0,0,0|2,0,0]=3 3446 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,1,0,0,0,0|2,0,0]=3 3447 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,1,0,0,0,0|2,0,0]=3 3448 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,1,0,0,0,0|3,0,0]=4 3449 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,1,0,0,0,0|2,0,0]=3 3450 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,1,0,0,0,0|2,0,0]=3 3451 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [0,1,0,0,0,0|2,0,1]=4 3452 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [0,1,0,0,0,0|2,0,1]=4 3453 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,1,0,0,0,0|2,0,0]=3 3454 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,1,0,0,0,0|2,0,0]=3 3455 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,1,0,0,0,0|2,0,0]=3 3456 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,1,0,0,0,0|2,0,0]=3 3457 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,1,0,0,0,0|2,0,0]=3 3458 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,1,0,0,0,0|2,0,0]=3 3459 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,1,0,0,0,0|2,0,0]=3 3460 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,1,0,0,0,0|2,0,0]=3 3461 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,1,0,0,0,0|2,0,0]=3 3462 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,1,0,0,0,0|2,0,0]=3 3463 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,1,0,0,0,0|2,0,0]=3 3464 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,1,0,0,0,0|2,0,0]=3 3465 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,1,0,0,0,0|2,0,0]=3 3466 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,1,0,0,0,0|2,0,0]=3 3467 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,1,0,0,0,0|2,0,0]=3 3468 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,1,0,0,0,0|2,0,0]=3 3469 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,1,0,0,0,0|2,0,0]=3 3470 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,1,0,0,0,0|2,0,0]=3 3471 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,1,0,0,0,0|2,0,0]=3 3472 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,1,0,0,0,0|2,0,0]=3 3473 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,1,0,0,0,0|2,0,0]=3 3474 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 3475 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,1,0,0,0,0|2,0,0]=3 3476 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,1,0,0,0,0|2,0,0]=3 3477 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,1,0,0,0,0|2,0,0]=3 3478 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,1,0,0,0,0|2,0,0]=3 3479 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,1,0,0,0,0|2,0,0]=3 3480 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,1,0,0,0,0|2,0,0]=3 3481 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,1,0,0,0,0|2,0,0]=3 3482 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,1,0,0,0,0|2,0,0]=3 3483 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,1,0,0,0,0|2,0,0]=3 3484 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,1,0,0,0,0|2,0,0]=3 3485 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,1,0,0,0,0|2,0,0]=3 3486 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,1,0,0,0,0|2,0,0]=3 3487 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,1,0,0,0,0|2,0,0]=3 3488 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,1,0,0,0,0|2,0,0]=3 3489 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,1,0,0,0,0|3,0,0]=4 3490 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,1,0,0,0,0|3,0,0]=4 3491 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,1,0,0,0,0|2,0,1]=4 3492 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,1,0,0,0,0|2,0,1]=4 3493 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,1,0,0,0,0|2,0,1]=4 3494 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,1,0,0,0,0|2,0,1]=4 3495 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,1,0,0,0,0|2,0,0]=3 3496 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,1,0,0,0,0|2,0,0]=3 3497 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,1,0,0,0,0|2,0,0]=3 3498 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,1,0,0,0,0|2,0,0]=3 3499 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,1,0,0,0,0|2,0,0]=3 3500 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,1,0,0,0,0|2,0,0]=3 3501 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,1,0,0,0,0|3,0,0]=4 3502 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,1,0,0,0,0|2,0,0]=3 3503 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,1,0,0,0,0|2,0,0]=3 3504 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,1,0,0,0,0|3,0,0]=4 3505 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,1,0,0,0,0|3,0,0]=4 3506 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,1,0,0,0,0|3,0,0]=4 3507 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,1,0,0,0,0|3,0,0]=4 3508 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,1,0,0,0,0|3,0,0]=4 3509 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,1,0,0,0,0|3,0,0]=4 3510 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,1,0,0,0,0|3,0,0]=4 3511 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,1,0,0,0,0|3,0,0]=4 3512 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,1,0,0,0,0|3,0,0]=4 3513 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,1,0,0,0,0|3,0,0]=4 3514 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,1,0,0,0,0|3,0,0]=4 3515 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,0,0,0,0|1,0,0]=2 3516 B11R0.4 CCOCCCNC(=O)CC#N 1626a_100000210961_100051588842 [0,1,0,0,0,0|2,0,1]=4 3517 B11R0.4 CCOCCCNC(=O)CC#N 240690a_100000210961_100051588842 [0,1,0,0,0,0|2,0,1]=4 3518 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,1,0,0,0,0|2,0,0]=3 3519 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 3520 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 3521 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 3522 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,1,0,0,0,0|2,0,0]=3 3523 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,1,0,0,0,0|2,0,0]=3 3524 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,1,0,0,0,0|2,0,0]=3 3525 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,1,0,0,0,0|2,0,0]=3 3526 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,1,0,0,0,0|2,0,0]=3 3527 B11R0.4 CCOCCCNC(=O)NNC 273464a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 3528 B11R0.4 CCOCCCNC(=O)NNC 512a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 3529 B11R0.4 CCOCCCNC(=O)NNC 512a_100016993582_100000210961 [0,1,0,0,0,0|3,0,0]=4 3530 B11R0.4 CCOCCNCC(=O)NCO 2230a_102516460346_100000185155 [0,1,0,0,0,0|3,0,0]=4 3531 B11R0.4 CCOCCNCC(=O)NCO 34a_102516460346_100000185155 [0,1,0,0,0,0|3,0,0]=4 3532 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,1,0,0,0,0|2,0,0]=3 3533 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,1,0,0,0,0|2,0,0]=3 3534 B11R0.4 CCOCCNNC(=O)CCO 22a_100000732670_100011216618 [0,1,0,0,0,0|3,0,0]=4 3535 B11R0.4 CCOCCNNC(=O)COC 22a_100000732670_100000210968 [0,1,0,0,0,0|3,0,0]=4 3536 B11R0.4 CCOCCNNC(=O)CSC 22a_100000732670_100000184570 [0,1,0,0,0,0|3,0,0]=4 3537 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,1,0,0,0,0|3,0,0]=4 3538 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,1,0,0,0,0|3,0,0]=4 3539 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,1,0,0,0,0|2,0,0]=3 3540 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,1,0,0,0,0|2,0,0]=3 3541 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,1,0,0,0,0|2,0,0]=3 3542 B11R0.4 CCOCCSCC(=O)NCO 62a_100000185155_100011215890 [0,1,0,0,0,0|3,0,0]=4 3543 B11R0.4 CCOCCSCC(=O)NCO 62a_100000210147_100000185155 [0,1,0,0,0,0|3,0,0]=4 3544 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,1,0,0,0,0|2,0,0]=3 3545 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,1,0,0,0,0|2,0,0]=3 3546 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,1,0,0,0,0|2,0,0]=3 3547 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,1,0,0,0,0|2,0,0]=3 3548 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,1,0,0,0,0|2,0,0]=3 3549 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,1,0,0,0,0|3,0,0]=4 3550 B11R0.4 CCSCCNCC(=O)NCO 2230a_100000106463_100000185155 [0,1,0,0,0,0|3,0,0]=4 3551 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,1,0,0,0,0|3,0,0]=4 3552 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,1,0,0,0,0|3,0,0]=4 3553 B11R0.4 CCSCCSCC(=O)NCO 62a_100000185155_100000757381 [0,1,0,0,0,0|3,0,0]=4 3554 B11R0.4 CCSCCSCC(=O)NCO 62a_100000757381_100000185155 [0,1,0,0,0,0|3,0,0]=4 3555 B11R0.4 CN(CCO)CCCCCCF 2230a_100000210263_100015922095 [0,1,0,0,0,0|3,0,0]=4 3556 B11R0.4 CN(CCO)CCCCCCF 269982a_100000210263_100015922095 [0,1,0,0,0,0|3,0,0]=4 3557 B11R0.4 CN(CCO)CCCCCCO 2230a_100000210263_100000766143 [0,1,0,0,0,0|3,0,0]=4 3558 B11R0.4 CN(CCO)CCCCCCO 269982a_100000210263_100000766143 [0,1,0,0,0,0|3,0,0]=4 3559 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,1,0,0,0,0|3,0,0]=4 3560 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,1,0,0,0,0|2,0,0]=3 3561 B11R0.4 CNNC(=O)CCOCCOC 22a_100016993582_100000745395 [0,1,0,0,0,0|3,0,0]=4 3562 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 3563 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 3564 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,1,0,0,0,0|3,0,0]=4 3565 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,1,0,0,0,0|1,0,1]=3 3566 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,0,0,0,0|1,0,0]=2 3567 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,0,0,0,0|1,0,0]=2 3568 B11R0.4 COCC(=O)NCCCCC#N 11a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 3569 B11R0.4 COCC(=O)NCCCCC#N 1626a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 3570 B11R0.4 COCC(=O)NCCCCC#N 240690a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 3571 B11R0.4 COCC(=O)NCCCCC#N 527a_100000751965_100000210968 [0,1,0,0,0,0|2,0,1]=4 3572 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,0,0,0,0|2,0,0]=3 3573 B11R0.4 COCC(=O)NCCOCCO 240690a_100000211614_100000210968 [0,1,0,0,0,0|3,0,0]=4 3574 B11R0.4 COCC(=O)NCCSCCO 240690a_100011219999_100000210968 [0,1,0,0,0,0|3,0,0]=4 3575 B11R0.4 COCC(=O)NCCSCCO 527a_100011219999_100000210968 [0,1,0,0,0,0|3,0,0]=4 3576 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,1,0,0,0,0|1,0,1]=3 3577 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,1,0,0,0,0|1,0,0]=2 3578 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,1,0,0,0,0|1,0,0]=2 3579 B11R0.4 COCCCNCC(=O)NCO 34a_100150723488_100000185155 [0,1,0,0,0,0|3,0,0]=4 3580 B11R0.4 COCCCNNC(=O)CCO 22a_100025702787_100011216618 [0,1,0,0,0,0|3,0,0]=4 3581 B11R0.4 COCCCNNC(=O)COC 22a_100025702787_100000210968 [0,1,0,0,0,0|3,0,0]=4 3582 B11R0.4 COCCCNNC(=O)CSC 22a_100025702787_100000184570 [0,1,0,0,0,0|3,0,0]=4 3583 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,1,0,0,0,0|3,0,0]=4 3584 B11R0.4 COCCCSCC(=O)NCO 62a_100000185155_100000709357 [0,1,0,0,0,0|3,0,0]=4 3585 B11R0.4 COCCCSCC(=O)NCO 62a_100000709357_100000185155 [0,1,0,0,0,0|3,0,0]=4 3586 B11R0.4 COCCOCCC(=O)CC#N 1458a_100000745395_100011214920 [0,1,0,0,0,0|2,0,1]=4 3587 B11R0.4 COCCOCCC(=O)CC#N 1458a_100051588842_100000695917 [0,1,0,0,0,0|2,0,1]=4 3588 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,1,0,0,0,0|2,0,0]=3 3589 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,1,0,0,0,0|2,0,0]=3 3590 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,1,0,0,0,0|2,0,0]=3 3591 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,1,0,0,0,0|2,0,0]=3 3592 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [0,1,0,0,0,0|2,0,0]=3 3593 B11R0.4 CSCC(=O)CCCCCC#N 1458a_100000184570_100009813376 [0,1,0,0,0,0|1,0,1]=3 3594 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,0,0,0,0|1,0,0]=2 3595 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,0,0,0,0|1,0,0]=2 3596 B11R0.4 CSCC(=O)NCCCCC#N 11a_100000751965_100000184570 [0,1,0,0,0,0|2,0,1]=4 3597 B11R0.4 CSCC(=O)NCCCCC#N 1626a_100000751965_100000184570 [0,1,0,0,0,0|2,0,1]=4 3598 B11R0.4 CSCC(=O)NCCCCC#N 240690a_100000751965_100000184570 [0,1,0,0,0,0|2,0,1]=4 3599 B11R0.4 CSCC(=O)NCCCCC#N 527a_100000751965_100000184570 [0,1,0,0,0,0|2,0,1]=4 3600 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,1,0,0,0,0|2,0,0]=3 3601 B11R0.4 CSCC(=O)NCCOCCO 240690a_100000211614_100000184570 [0,1,0,0,0,0|3,0,0]=4 3602 B11R0.4 CSCC(=O)NCCSCCO 240690a_100011219999_100000184570 [0,1,0,0,0,0|3,0,0]=4 3603 B11R0.4 CSCC(=O)NCCSCCO 527a_100011219999_100000184570 [0,1,0,0,0,0|3,0,0]=4 3604 B11R0.4 CSCCCNCC(=O)NCO 2230a_100000749238_100000185155 [0,1,0,0,0,0|3,0,0]=4 3605 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,1,0,0,0,0|3,0,0]=4 3606 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,1,0,0,0,0|3,0,0]=4 3607 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,1,0,0,0,0|1,0,1]=3 3608 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,1,0,0,0,0|1,0,1]=3 3609 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,1,0,0,0,0|1,0,1]=3 3610 B11R0.4 N#CCC(=O)NCCCCCO 240690a_100000762737_100051588842 [0,1,0,0,0,0|2,0,1]=4 3611 B11R0.4 N#CCCCCCC(=O)CC#N 1458a_100051588842_100009813376 [0,1,0,0,0,0|1,0,2]=4 3612 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,1,0,0,0,0|1,0,1]=3 3613 B11R0.4 N#CCCCCNC(=O)CCO 240690a_100000751965_100011216618 [0,1,0,0,0,0|2,0,1]=4 3614 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 3615 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,1,0,0,0,0|1,0,2]=4 3616 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,1,0,0,0,0|1,0,2]=4 3617 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,1,0,0,0,0|1,0,2]=4 3618 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,1,0,0,0,0|1,0,2]=4 3619 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,1,0,0,0,0|1,0,2]=4 3620 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,1,0,0,0,0|1,0,2]=4 3621 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,0,0,0,0|1,0,0]=2 3622 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,0,0,0,0|1,0,0]=2 3623 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,0,0,0,0|1,0,0]=2 3624 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,0,0,0,0|1,0,0]=2 3625 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,1,0,0,0,0|2,0,0]=3 3626 B11R0.4 O=C(CCO)NCCOCCO 240690a_100000211614_100011216618 [0,1,0,0,0,0|3,0,0]=4 3627 B11R0.4 O=C(CCO)NCCSCCO 240690a_100011219999_100011216618 [0,1,0,0,0,0|3,0,0]=4 3628 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 3629 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 3630 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,1,0,0,0,0|3,0,0]=4 3631 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 3632 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 3633 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,1,0,0,0,0|3,0,0]=4 3634 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,1,0,0,0,0|3,0,0]=4 3635 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,1,0,0,0,0|3,0,0]=4 3636 B11R0.4 O=C(CSCCCCF)NCO 62a_100000185155_100000729493 [0,1,0,0,0,0|3,0,0]=4 3637 B11R0.4 O=C(CSCCCCF)NCO 62a_100000729493_100000185155 [0,1,0,0,0,0|3,0,0]=4 3638 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,1,0,0,0,0|3,0,0]=4 3639 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 3640 B11R0.4 [N-]=[N+]=NCCCCC(=O)CCF 1458a_100000070148_100011217306 [0,1,0,0,0,0|3,0,0]=4 3641 B11R0.4 [N-]=[N+]=NCCCCC(=O)CCO 1458a_100000070148_100000211926 [0,1,0,0,0,0|3,0,0]=4 3642 B11R0.40 C#CC(=O)CC#CCCCCC 1458a_100000211873_100009816472 [0,1,0,0,0,0|0,0,3]=4 3643 B11R0.40 C#CC(=O)CCCCCCC#N 1458a_100000211873_100009813337 [0,1,0,0,0,0|0,0,3]=4 3644 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,1,0,0,0,0|0,0,3]=4 3645 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,0,0,0,0|0,0,2]=3 3646 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,1,0,0,0,0|0,0,2]=3 3647 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,1,0,0,0,0|0,0,2]=3 3648 B11R0.40 C#CC(=O)CCCOCCOC 1458a_100000211873_100011216529 [0,1,0,0,0,0|1,0,2]=4 3649 B11R0.40 C#CC(=O)CCOCCOCC 1458a_100000211873_100011211534 [0,1,0,0,0,0|1,0,2]=4 3650 B11R0.40 C#CCCCCCCC(=O)C#C 1458a_100000211873_100012276617 [0,1,0,0,0,0|0,0,3]=4 3651 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,1,0,0,0,0|0,0,3]=4 3652 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,0,0,0,0|0,0,1]=2 3653 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,0,0,0,0|0,0,1]=2 3654 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,1,0,0,0,0|1,0,1]=3 3655 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,1,0,0,0,0|1,0,1]=3 3656 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,1,0,0,0,0|1,0,1]=3 3657 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 3658 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 3659 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,1,0,0,0,0|1,0,1]=3 3660 B11R0.40 C#CCCCCCCN(C)CC 2230a_100000225621_100012276617 [0,1,0,0,0,0|2,0,1]=4 3661 B11R0.40 C#CCCCCCCN(C)CC 269982a_100000225621_100012276617 [0,1,0,0,0,0|2,0,1]=4 3662 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000693194_100010269958 [0,1,0,0,0,0|1,0,2]=4 3663 B11R0.40 C#CCCCCNCC(=O)NC 2230a_100000706060_100000183359 [0,1,0,0,0,0|1,0,2]=4 3664 B11R0.40 C#CCCCCNCC(=O)NC 34a_100000706060_100000183359 [0,1,0,0,0,0|1,0,2]=4 3665 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,1,0,0,0,0|1,0,2]=4 3666 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,1,0,0,0,0|1,0,2]=4 3667 B11R0.40 C#CCCCCOCC(=O)CC 34a_100000725409_100010269958 [0,1,0,0,0,0|0,0,2]=3 3668 B11R0.40 C#CCCCCOCC(=O)CC 7a_100000766709_100000747405 [0,1,0,0,0,0|0,0,2]=3 3669 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000750040_100010269958 [0,1,0,0,0,0|1,0,2]=4 3670 B11R0.40 C#CCCCCOCC(=O)NC 34a_100000766709_100000183359 [0,1,0,0,0,0|1,0,2]=4 3671 B11R0.40 C#CCCCCOCC(=O)NC 7a_100000766709_100000183359 [0,1,0,0,0,0|1,0,2]=4 3672 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,1,0,0,0,0|1,0,2]=4 3673 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,1,0,0,0,0|1,0,2]=4 3674 B11R0.40 C#CCCCCSCC(=O)CC 62a_100000747405_100010269958 [0,1,0,0,0,0|0,0,2]=3 3675 B11R0.40 C#CCCCCSCC(=O)CC 62a_100010269958_100000747405 [0,1,0,0,0,0|0,0,2]=3 3676 B11R0.40 C#CCCCCSCC(=O)NC 62a_100000183359_100010269958 [0,1,0,0,0,0|1,0,2]=4 3677 B11R0.40 C#CCCCCSCC(=O)NC 62a_100010269958_100000183359 [0,1,0,0,0,0|1,0,2]=4 3678 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,1,0,0,0,0|1,0,2]=4 3679 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,1,0,0,0,0|1,0,2]=4 3680 B11R0.40 C#CCCCNCCC(=O)NC 2230a_100000738227_100000731252 [0,1,0,0,0,0|1,0,2]=4 3681 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000718082_100012179268 [0,1,0,0,0,0|1,0,2]=4 3682 B11R0.40 C#CCCCNCCC(=O)NC 34a_100000738227_100000695029 [0,1,0,0,0,0|1,0,2]=4 3683 B11R0.40 C#CCCCNCCC(=O)OC 34a_100000718082_100000742370 [0,1,0,0,0,0|1,0,2]=4 3684 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000215630_100012179268 [0,1,0,0,0,0|1,0,2]=4 3685 B11R0.40 C#CCCCOCCC(=O)NC 34a_100000754576_100000695029 [0,1,0,0,0,0|1,0,2]=4 3686 B11R0.40 C#CCCCOCCC(=O)NC 7a_100000215630_100000737683 [0,1,0,0,0,0|1,0,2]=4 3687 B11R0.40 C#CCCCOCCC(=O)OC 34a_100000215630_100000742370 [0,1,0,0,0,0|1,0,2]=4 3688 B11R0.40 C#CCCCOCCC(=O)OC 7a_100000215630_100000204255 [0,1,0,0,0,0|1,0,2]=4 3689 B11R0.40 C#CCCCSCCC(=O)NC 62a_100000737683_100011215417 [0,1,0,0,0,0|1,0,2]=4 3690 B11R0.40 C#CCCCSCCC(=O)NC 62a_100011215417_100000737683 [0,1,0,0,0,0|1,0,2]=4 3691 B11R0.40 C#CCCCSCCC(=O)OC 62a_100000204255_100011215417 [0,1,0,0,0,0|1,0,2]=4 3692 B11R0.40 C#CCCCSCCC(=O)OC 62a_100011215417_100000204255 [0,1,0,0,0,0|1,0,2]=4 3693 B11R0.40 C#CCCNCCCC(=O)NC 2230a_100000740002_100000688953 [0,1,0,0,0,0|1,0,2]=4 3694 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000740002_100000688953 [0,1,0,0,0,0|1,0,2]=4 3695 B11R0.40 C#CCCNCCCC(=O)NC 34a_100000755551_100000741757 [0,1,0,0,0,0|1,0,2]=4 3696 B11R0.40 C#CCCNCCCC(=O)OC 34a_100000755551_100000742333 [0,1,0,0,0,0|1,0,2]=4 3697 B11R0.40 C#CCCNCCNC(=O)CC 34a_100132302217_100000688953 [0,1,0,0,0,0|1,0,2]=4 3698 B11R0.40 C#CCCOCCCC(=O)NC 34a_100011215631_100000741757 [0,1,0,0,0,0|1,0,2]=4 3699 B11R0.40 C#CCCOCCCC(=O)OC 34a_100011215631_100000742333 [0,1,0,0,0,0|1,0,2]=4 3700 B11R0.40 C#CCCOCCNC(=O)CC 34a_200000158885_100000688953 [0,1,0,0,0,0|1,0,2]=4 3701 B11R0.40 C#CCCOCCNC(=O)CC 7a_200000158885_100000688953 [0,1,0,0,0,0|1,0,2]=4 3702 B11R0.40 C#CCCOCCOC(=O)CC 7a_200000031056_100000688953 [0,1,0,0,0,0|1,0,2]=4 3703 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000688953_100000741757 [0,1,0,0,0,0|1,0,2]=4 3704 B11R0.40 C#CCCSCCCC(=O)NC 62a_100000741757_100000688953 [0,1,0,0,0,0|1,0,2]=4 3705 B11R0.40 C#CCCSCCCC(=O)OC 62a_100000688953_100011218270 [0,1,0,0,0,0|1,0,2]=4 3706 B11R0.40 C#CCCSCCCC(=O)OC 62a_100011218270_100000688953 [0,1,0,0,0,0|1,0,2]=4 3707 B11R0.40 C#CCNCCCCC(=O)OC 34a_100000212058_100000204269 [0,1,0,0,0,0|1,0,2]=4 3708 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000059025_100000184674 [0,1,0,0,0,0|1,0,2]=4 3709 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000210247_100000204269 [0,1,0,0,0,0|1,0,2]=4 3710 B11R0.40 C#CCOCCCCC(=O)OC 7a_100000059025_100000038162 [0,1,0,0,0,0|1,0,2]=4 3711 B11R0.40 C#CCOCCOCC(=O)CC 34a_100000725409_100010402529 [0,1,0,0,0,0|1,0,2]=4 3712 B11R0.40 C#CCOCCOCC(=O)CC 7a_100000054580_100000747405 [0,1,0,0,0,0|1,0,2]=4 3713 B11R0.40 C#CCOCCSCC(=O)CC 62a_100000747405_100010402529 [0,1,0,0,0,0|1,0,2]=4 3714 B11R0.40 C#CCOCCSCC(=O)CC 62a_100010402529_100000747405 [0,1,0,0,0,0|1,0,2]=4 3715 B11R0.40 C#CCSCCCCC(=O)OC 62a_100000038162_100000204269 [0,1,0,0,0,0|1,0,2]=4 3716 B11R0.40 C/C=C/CCOCCC(=O)NC 34a_100016278192_100012179268 [0,1,0,0,0,0|1,0,2]=4 3717 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [0,1,0,0,0,0|1,0,2]=4 3718 B11R0.40 C/C=C/CNCCCC(=O)NC 34a_100000740002_100102629194 [0,1,0,0,0,0|1,0,2]=4 3719 B11R0.40 C/C=C/CNCCNC(=O)CC 34a_100132302217_100102629194 [0,1,0,0,0,0|1,0,2]=4 3720 B11R0.40 C/C=C/COCCCC(=O)NC 34a_100016270725_100000741757 [0,1,0,0,0,0|1,0,2]=4 3721 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [0,1,0,0,0,0|1,0,2]=4 3722 B11R0.40 C/C=C/COCCNC(=O)CC 34a_200000158885_100102629194 [0,1,0,0,0,0|1,0,2]=4 3723 B11R0.40 C/C=C/COCCNC(=O)CC 7a_200000158885_100102629194 [0,1,0,0,0,0|1,0,2]=4 3724 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [0,1,0,0,0,0|1,0,2]=4 3725 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100000741757_100102629194 [0,1,0,0,0,0|1,0,2]=4 3726 B11R0.40 C/C=C/CSCCCC(=O)NC 62a_100102629194_100000741757 [0,1,0,0,0,0|1,0,2]=4 3727 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [0,1,0,0,0,0|1,0,2]=4 3728 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [0,1,0,0,0,0|1,0,2]=4 3729 B11R0.40 C=C(C#N)CNCCCCCC 2230a_100000210581_100000694840 [0,1,0,0,0,0|2,0,1]=4 3730 B11R0.40 C=C(C#N)COCCCCCC 34a_100000210259_100000694840 [0,1,0,0,0,0|2,0,1]=4 3731 B11R0.40 C=C(C#N)CSCCCCCC 62a_100000210314_100000694840 [0,1,0,0,0,0|2,0,1]=4 3732 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,1,0,0,0,0|0,0,3]=4 3733 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,1,0,0,0,0|0,0,3]=4 3734 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|0,0,2]=3 3735 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,0,0,0,0|0,0,2]=3 3736 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,1,0,0,0,0|0,0,2]=3 3737 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,1,0,0,0,0|1,0,2]=4 3738 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,1,0,0,0,0|1,0,2]=4 3739 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,0,0,0,0|0,0,2]=3 3740 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,0,0,0,0|0,0,2]=3 3741 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,1,0,0,0,0|1,0,2]=4 3742 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,1,0,0,0,0|1,0,2]=4 3743 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,1,0,0,0,0|1,0,2]=4 3744 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,1,0,0,0,0|1,0,2]=4 3745 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,1,0,0,0,0|1,0,2]=4 3746 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,1,0,0,0,0|1,0,2]=4 3747 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,1,0,0,0,0|1,0,2]=4 3748 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,1,0,0,0,0|1,0,2]=4 3749 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,1,0,0,0,0|1,0,2]=4 3750 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,1,0,0,0,0|1,0,2]=4 3751 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,1,0,0,0,0|1,0,2]=4 3752 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,1,0,0,0,0|1,0,2]=4 3753 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,1,0,0,0,0|1,0,2]=4 3754 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,1,0,0,0,0|1,0,2]=4 3755 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,1,0,0,0,0|1,0,2]=4 3756 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,1,0,0,0,0|1,0,2]=4 3757 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,1,0,0,0,0|1,0,2]=4 3758 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,1,0,0,0,0|1,0,2]=4 3759 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,1,0,0,0,0|0,0,3]=4 3760 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,0,0,0,0|0,0,1]=2 3761 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,0,0,0,0|0,0,1]=2 3762 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,1,0,0,0,0|1,0,1]=3 3763 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,1,0,0,0,0|1,0,1]=3 3764 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,1,0,0,0,0|1,0,1]=3 3765 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 3766 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 3767 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,1,0,0,0,0|1,0,1]=3 3768 B11R0.40 C=CCCCCCCN(C)CC 2230a_100000225621_100011215473 [0,1,0,0,0,0|2,0,1]=4 3769 B11R0.40 C=CCCCCCCN(C)CC 269982a_100000225621_100011215473 [0,1,0,0,0,0|2,0,1]=4 3770 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000693194_100011215482 [0,1,0,0,0,0|1,0,2]=4 3771 B11R0.40 C=CCCCCNCC(=O)NC 2230a_100000703577_100000183359 [0,1,0,0,0,0|1,0,2]=4 3772 B11R0.40 C=CCCCCNCC(=O)NC 34a_100000703577_100000183359 [0,1,0,0,0,0|1,0,2]=4 3773 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,1,0,0,0,0|1,0,2]=4 3774 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,1,0,0,0,0|1,0,2]=4 3775 B11R0.40 C=CCCCCOCC(=O)CC 34a_100000725409_100011215482 [0,1,0,0,0,0|0,0,2]=3 3776 B11R0.40 C=CCCCCOCC(=O)CC 7a_100000766645_100000747405 [0,1,0,0,0,0|0,0,2]=3 3777 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000750040_100011215482 [0,1,0,0,0,0|1,0,2]=4 3778 B11R0.40 C=CCCCCOCC(=O)NC 34a_100000766645_100000183359 [0,1,0,0,0,0|1,0,2]=4 3779 B11R0.40 C=CCCCCOCC(=O)NC 7a_100000766645_100000183359 [0,1,0,0,0,0|1,0,2]=4 3780 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,1,0,0,0,0|1,0,2]=4 3781 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,1,0,0,0,0|1,0,2]=4 3782 B11R0.40 C=CCCCCSCC(=O)CC 62a_100000747405_100011215482 [0,1,0,0,0,0|0,0,2]=3 3783 B11R0.40 C=CCCCCSCC(=O)CC 62a_100011215482_100000747405 [0,1,0,0,0,0|0,0,2]=3 3784 B11R0.40 C=CCCCCSCC(=O)NC 62a_100000183359_100011215482 [0,1,0,0,0,0|1,0,2]=4 3785 B11R0.40 C=CCCCCSCC(=O)NC 62a_100011215482_100000183359 [0,1,0,0,0,0|1,0,2]=4 3786 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,1,0,0,0,0|1,0,2]=4 3787 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,1,0,0,0,0|1,0,2]=4 3788 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000700776_100000737683 [0,1,0,0,0,0|1,0,2]=4 3789 B11R0.40 C=CCCCNCCC(=O)NC 2230a_100000738227_100011713584 [0,1,0,0,0,0|1,0,2]=4 3790 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000700776_100012179268 [0,1,0,0,0,0|1,0,2]=4 3791 B11R0.40 C=CCCCNCCC(=O)NC 34a_100000738227_100000757094 [0,1,0,0,0,0|1,0,2]=4 3792 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [0,1,0,0,0,0|1,0,2]=4 3793 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [0,1,0,0,0,0|1,0,2]=4 3794 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000754576_100000757094 [0,1,0,0,0,0|1,0,2]=4 3795 B11R0.40 C=CCCCOCCC(=O)NC 34a_100000758997_100012179268 [0,1,0,0,0,0|1,0,2]=4 3796 B11R0.40 C=CCCCOCCC(=O)NC 7a_100000758997_100000737683 [0,1,0,0,0,0|1,0,2]=4 3797 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [0,1,0,0,0,0|1,0,2]=4 3798 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [0,1,0,0,0,0|1,0,2]=4 3799 B11R0.40 C=CCCCSCCC(=O)NC 62a_100000737683_100000757094 [0,1,0,0,0,0|1,0,2]=4 3800 B11R0.40 C=CCCCSCCC(=O)NC 62a_100011713584_100000737683 [0,1,0,0,0,0|1,0,2]=4 3801 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [0,1,0,0,0,0|1,0,2]=4 3802 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [0,1,0,0,0,0|1,0,2]=4 3803 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100000740002_100000754431 [0,1,0,0,0,0|1,0,2]=4 3804 B11R0.40 C=CCCNCCCC(=O)NC 2230a_100015191253_100000741757 [0,1,0,0,0,0|1,0,2]=4 3805 B11R0.40 C=CCCNCCCC(=O)NC 34a_100000740002_100000754431 [0,1,0,0,0,0|1,0,2]=4 3806 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [0,1,0,0,0,0|1,0,2]=4 3807 B11R0.40 C=CCCNCCNC(=O)CC 34a_100132302217_100000754431 [0,1,0,0,0,0|1,0,2]=4 3808 B11R0.40 C=CCCOCCCC(=O)NC 34a_100011205117_100000741757 [0,1,0,0,0,0|1,0,2]=4 3809 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [0,1,0,0,0,0|1,0,2]=4 3810 B11R0.40 C=CCCOCCNC(=O)CC 34a_200000158885_100000754431 [0,1,0,0,0,0|1,0,2]=4 3811 B11R0.40 C=CCCOCCNC(=O)CC 7a_200000158885_100000754431 [0,1,0,0,0,0|1,0,2]=4 3812 B11R0.40 C=CCCOCCOC(=O)CC 7a_200000031056_100000754431 [0,1,0,0,0,0|1,0,2]=4 3813 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000741757_100000754431 [0,1,0,0,0,0|1,0,2]=4 3814 B11R0.40 C=CCCSCCCC(=O)NC 62a_100000754431_100000741757 [0,1,0,0,0,0|1,0,2]=4 3815 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [0,1,0,0,0,0|1,0,2]=4 3816 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [0,1,0,0,0,0|1,0,2]=4 3817 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [0,1,0,0,0,0|1,0,2]=4 3818 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [0,1,0,0,0,0|1,0,2]=4 3819 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [0,1,0,0,0,0|1,0,2]=4 3820 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [0,1,0,0,0,0|1,0,2]=4 3821 B11R0.40 C=CCOCCOCC(=O)CC 7a_100000037705_100000747405 [0,1,0,0,0,0|1,0,2]=4 3822 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [0,1,0,0,0,0|1,0,2]=4 3823 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [0,1,0,0,0,0|1,0,2]=4 3824 B11R0.40 CC#CCCOCCC(=O)NC 34a_100000750427_100012179268 [0,1,0,0,0,0|1,0,2]=4 3825 B11R0.40 CC#CCCOCCC(=O)OC 34a_100000750427_100000742370 [0,1,0,0,0,0|1,0,2]=4 3826 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000685387_100000741757 [0,1,0,0,0,0|1,0,2]=4 3827 B11R0.40 CC#CCNCCCC(=O)NC 2230a_100000740002_100000748600 [0,1,0,0,0,0|1,0,2]=4 3828 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000685387_100000741757 [0,1,0,0,0,0|1,0,2]=4 3829 B11R0.40 CC#CCNCCCC(=O)NC 34a_100000740002_100000748600 [0,1,0,0,0,0|1,0,2]=4 3830 B11R0.40 CC#CCNCCCC(=O)OC 2230a_100000685387_100011218270 [0,1,0,0,0,0|1,0,2]=4 3831 B11R0.40 CC#CCNCCCC(=O)OC 34a_100000685387_100000742333 [0,1,0,0,0,0|1,0,2]=4 3832 B11R0.40 CC#CCNCCNC(=O)CC 34a_100132302217_100000748600 [0,1,0,0,0,0|1,0,2]=4 3833 B11R0.40 CC#CCOCCCC(=O)NC 34a_100000761923_100000741757 [0,1,0,0,0,0|1,0,2]=4 3834 B11R0.40 CC#CCOCCCC(=O)OC 34a_100000761923_100000742333 [0,1,0,0,0,0|1,0,2]=4 3835 B11R0.40 CC#CCOCCNC(=O)CC 34a_200000158885_100000748600 [0,1,0,0,0,0|1,0,2]=4 3836 B11R0.40 CC#CCOCCNC(=O)CC 7a_200000158885_100000748600 [0,1,0,0,0,0|1,0,2]=4 3837 B11R0.40 CC#CCOCCOC(=O)CC 7a_200000031056_100000748600 [0,1,0,0,0,0|1,0,2]=4 3838 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000741757_100000748600 [0,1,0,0,0,0|1,0,2]=4 3839 B11R0.40 CC#CCSCCCC(=O)NC 62a_100000748600_100000741757 [0,1,0,0,0,0|1,0,2]=4 3840 B11R0.40 CC#CCSCCCC(=O)OC 62a_100000748600_100011218270 [0,1,0,0,0,0|1,0,2]=4 3841 B11R0.40 CC#CCSCCCC(=O)OC 62a_100011218270_100000748600 [0,1,0,0,0,0|1,0,2]=4 3842 B11R0.40 CC/C=C\CCNCC(=O)NC 2230a_100000693194_100015370543 [0,1,0,0,0,0|1,0,2]=4 3843 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,1,0,0,0,0|0,0,2]=3 3844 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,1,0,0,0,0|0,0,2]=3 3845 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,1,0,0,0,0|1,0,2]=4 3846 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,1,0,0,0,0|1,0,2]=4 3847 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,1,0,0,0,0|1,0,2]=4 3848 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,1,0,0,0,0|1,0,2]=4 3849 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,1,0,0,0,0|1,0,2]=4 3850 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100000747405_100015370543 [0,1,0,0,0,0|0,0,2]=3 3851 B11R0.40 CC/C=C\CCSCC(=O)CC 62a_100015370543_100000747405 [0,1,0,0,0,0|0,0,2]=3 3852 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100000183359_100015370543 [0,1,0,0,0,0|1,0,2]=4 3853 B11R0.40 CC/C=C\CCSCC(=O)NC 62a_100015370543_100000183359 [0,1,0,0,0,0|1,0,2]=4 3854 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,1,0,0,0,0|1,0,2]=4 3855 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,1,0,0,0,0|1,0,2]=4 3856 B11R0.40 CC/C=C\CNCCC(=O)NC 2230a_100000738227_100103147603 [0,1,0,0,0,0|1,0,2]=4 3857 B11R0.40 CC/C=C\CNCCC(=O)NC 34a_100000738227_100103147603 [0,1,0,0,0,0|1,0,2]=4 3858 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100000754576_100103147603 [0,1,0,0,0,0|1,0,2]=4 3859 B11R0.40 CC/C=C\COCCC(=O)NC 34a_100016268518_100012179268 [0,1,0,0,0,0|1,0,2]=4 3860 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,1,0,0,0,0|1,0,2]=4 3861 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100000737683_100103147603 [0,1,0,0,0,0|1,0,2]=4 3862 B11R0.40 CC/C=C\CSCCC(=O)NC 62a_100103147603_100000737683 [0,1,0,0,0,0|1,0,2]=4 3863 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,1,0,0,0,0|1,0,2]=4 3864 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,1,0,0,0,0|1,0,2]=4 3865 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,1,0,0,0,0|1,0,2]=4 3866 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,1,0,0,0,0|1,0,2]=4 3867 B11R0.40 CC=CCNCCCC(=O)NC 2230a_100000740002_100000070051 [0,1,0,0,0,0|1,0,2]=4 3868 B11R0.40 CC=CCNCCCC(=O)NC 34a_100000740002_100000070051 [0,1,0,0,0,0|1,0,2]=4 3869 B11R0.40 CC=CCNCCNC(=O)CC 34a_100132302217_100000070051 [0,1,0,0,0,0|1,0,2]=4 3870 B11R0.40 CC=CCOCCNC(=O)CC 34a_200000158885_100000070051 [0,1,0,0,0,0|1,0,2]=4 3871 B11R0.40 CC=CCOCCNC(=O)CC 7a_200000158885_100000070051 [0,1,0,0,0,0|1,0,2]=4 3872 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [0,1,0,0,0,0|1,0,2]=4 3873 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000070051_100000741757 [0,1,0,0,0,0|1,0,2]=4 3874 B11R0.40 CC=CCSCCCC(=O)NC 62a_100000741757_100000070051 [0,1,0,0,0,0|1,0,2]=4 3875 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [0,1,0,0,0,0|1,0,2]=4 3876 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [0,1,0,0,0,0|1,0,2]=4 3877 B11R0.40 CCC#CCCOCC(=O)CC 7a_100000036655_100000747405 [0,1,0,0,0,0|0,0,2]=3 3878 B11R0.40 CCC#CCCOCC(=O)NC 34a_100000036655_100000183359 [0,1,0,0,0,0|1,0,2]=4 3879 B11R0.40 CCC#CCCOCC(=O)NC 7a_100000036655_100000183359 [0,1,0,0,0,0|1,0,2]=4 3880 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,1,0,0,0,0|1,0,2]=4 3881 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,1,0,0,0,0|1,0,2]=4 3882 B11R0.40 CCC#CCNCCC(=O)NC 2230a_100000738227_100009813939 [0,1,0,0,0,0|1,0,2]=4 3883 B11R0.40 CCC#CCNCCC(=O)NC 34a_100000738227_100009813939 [0,1,0,0,0,0|1,0,2]=4 3884 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000032950_100012179268 [0,1,0,0,0,0|1,0,2]=4 3885 B11R0.40 CCC#CCOCCC(=O)NC 34a_100000754576_100009813939 [0,1,0,0,0,0|1,0,2]=4 3886 B11R0.40 CCC#CCOCCC(=O)OC 34a_100000032950_100000742370 [0,1,0,0,0,0|1,0,2]=4 3887 B11R0.40 CCC#CCSCCC(=O)NC 62a_100000737683_100009813939 [0,1,0,0,0,0|1,0,2]=4 3888 B11R0.40 CCC#CCSCCC(=O)NC 62a_100009813939_100000737683 [0,1,0,0,0,0|1,0,2]=4 3889 B11R0.40 CCC#CCSCCC(=O)OC 62a_100000204255_100009813939 [0,1,0,0,0,0|1,0,2]=4 3890 B11R0.40 CCC#CCSCCC(=O)OC 62a_100009813939_100000204255 [0,1,0,0,0,0|1,0,2]=4 3891 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,0,0,0,0|0,0,1]=2 3892 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|0,0,0]=1 3893 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|0,0,0]=1 3894 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|0,0,0]=1 3895 B11R0.40 CCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210202 [0,1,0,0,0,0|2,0,0]=3 3896 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,1,0,0,0,0|1,0,0]=2 3897 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|1,0,0]=2 3898 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|1,0,0]=2 3899 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|1,0,0]=2 3900 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|1,0,0]=2 3901 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|1,0,0]=2 3902 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|1,0,0]=2 3903 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|1,0,0]=2 3904 B11R0.40 CCC(=O)COCCOCCBr 7a_100000692535_100000747405 [0,1,0,0,0,0|2,0,0]=3 3905 B11R0.40 CCC(=O)COCCOCCCl 7a_100011215305_100000747405 [0,1,0,0,0,0|2,0,0]=3 3906 B11R0.40 CCC(=O)COCCOCCF 7a_200015357709_100000747405 [0,1,0,0,0,0|2,0,0]=3 3907 B11R0.40 CCC(=O)COCCOCCI 7a_100012149058_100000747405 [0,1,0,0,0,0|2,0,0]=3 3908 B11R0.40 CCC(=O)COCCOCCO 1458a_106645077154_100000210202 [0,1,0,0,0,0|2,0,0]=3 3909 B11R0.40 CCC(=O)COCCOCCO 34a_100000725409_100000692535 [0,1,0,0,0,0|2,0,0]=3 3910 B11R0.40 CCC(=O)CSCCCCC#N 62a_100000747405_100000211819 [0,1,0,0,0,0|1,0,1]=3 3911 B11R0.40 CCC(=O)CSCCCCC#N 62a_100011219923_100000747405 [0,1,0,0,0,0|1,0,1]=3 3912 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000139335_100000747405 [0,1,0,0,0,0|1,0,1]=3 3913 B11R0.40 CCC(=O)CSCCCCC=O 62a_100000747405_100000139335 [0,1,0,0,0,0|1,0,1]=3 3914 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|1,0,0]=2 3915 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|1,0,0]=2 3916 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|1,0,0]=2 3917 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|1,0,0]=2 3918 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,0,0,0,0|1,0,0]=2 3919 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,0,0,0,0|1,0,0]=2 3920 B11R0.40 CCC(=O)CSCCOCC#N 62a_100000747405_200000047693 [0,1,0,0,0,0|2,0,1]=4 3921 B11R0.40 CCC(=O)CSCCOCC#N 62a_200000047693_100000747405 [0,1,0,0,0,0|2,0,1]=4 3922 B11R0.40 CCC(=O)CSCCOCCO 62a_100000747405_100011215305 [0,1,0,0,0,0|2,0,0]=3 3923 B11R0.40 CCC(=O)CSCCOCCO 62a_100011215305_100000747405 [0,1,0,0,0,0|2,0,0]=3 3924 B11R0.40 CCC(=O)CSCOCCOC 62a_100000231047_100000747405 [0,1,0,0,0,0|2,0,0]=3 3925 B11R0.40 CCC(=O)CSCOCCOC 62a_100000747405_100000231047 [0,1,0,0,0,0|2,0,0]=3 3926 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,1,0,0,0,0|1,0,1]=3 3927 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,1,0,0,0,0|1,0,1]=3 3928 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,1,0,0,0,0|1,0,1]=3 3929 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,1,0,0,0,0|1,0,1]=3 3930 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|1,0,0]=2 3931 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|1,0,0]=2 3932 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|1,0,0]=2 3933 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|1,0,0]=2 3934 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|1,0,0]=2 3935 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|1,0,0]=2 3936 B11R0.40 CCC(=O)NCCCCN=[N+]=[N-] 11a_100000101370_100000210414 [0,1,0,0,0,0|3,0,0]=4 3937 B11R0.40 CCC(=O)NCCCCN=[N+]=[N-] 240690a_100000101370_100000210414 [0,1,0,0,0,0|3,0,0]=4 3938 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,1,0,0,0,0|2,0,0]=3 3939 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,1,0,0,0,0|2,0,0]=3 3940 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,1,0,0,0,0|2,0,0]=3 3941 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [0,1,0,0,0,0|2,0,0]=3 3942 B11R0.40 CCC(=O)NCCOCCC#N 7a_200000158885_100000184422 [0,1,0,0,0,0|2,0,1]=4 3943 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,1,0,0,0,0|2,0,0]=3 3944 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,1,0,0,0,0|2,0,0]=3 3945 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,1,0,0,0,0|2,0,0]=3 3946 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,1,0,0,0,0|2,0,0]=3 3947 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,1,0,0,0,0|2,0,0]=3 3948 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,1,0,0,0,0|2,0,0]=3 3949 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,1,0,0,0,0|2,0,0]=3 3950 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,1,0,0,0,0|2,0,0]=3 3951 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,1,0,0,0,0|2,0,0]=3 3952 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,1,0,0,0,0|2,0,0]=3 3953 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,1,0,0,0,0|2,0,0]=3 3954 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,1,0,0,0,0|2,0,0]=3 3955 B11R0.40 CCC(=O)NN=CCCCCO 4a_100000183195_100000031955 [0,1,0,0,0,0|2,0,1]=4 3956 B11R0.40 CCC(=O)OCCOCCC#N 7a_200000031056_100000184422 [0,1,0,0,0,0|2,0,1]=4 3957 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,1,0,0,0,0|2,0,0]=3 3958 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,1,0,0,0,0|2,0,0]=3 3959 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,1,0,0,0,0|2,0,0]=3 3960 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,1,0,0,0,0|2,0,0]=3 3961 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [0,1,0,0,0,0|2,0,1]=4 3962 B11R0.40 CCC(C)CCCOCCCF 7a_100011216074_100011934791 [0,1,0,0,0,0|2,0,1]=4 3963 B11R0.40 CCC(C)CCCOCCCO 7a_100011216074_100011215043 [0,1,0,0,0,0|2,0,1]=4 3964 B11R0.40 CCC(C)CCCOCCOC 7a_100011216074_100000233755 [0,1,0,0,0,0|2,0,1]=4 3965 B11R0.40 CCC(C)CCCOCCSC 7a_100011216074_100000212216 [0,1,0,0,0,0|2,0,1]=4 3966 B11R0.40 CCC(C)CCNCCCCF 2230a_100020591266_100000729493 [0,1,0,0,0,0|2,0,1]=4 3967 B11R0.40 CCC(C)CCNCCCCO 2230a_100020591266_100000210776 [0,1,0,0,0,0|2,0,1]=4 3968 B11R0.40 CCC(C)CCNCCCOC 2230a_100020591266_100000740836 [0,1,0,0,0,0|2,0,1]=4 3969 B11R0.40 CCC(C)CCOCCCCF 7a_100011215188_100000729493 [0,1,0,0,0,0|2,0,1]=4 3970 B11R0.40 CCC(C)CCOCCCCO 7a_100011215188_100000210776 [0,1,0,0,0,0|2,0,1]=4 3971 B11R0.40 CCC(C)CCOCCCOC 7a_100011215188_100000740836 [0,1,0,0,0,0|2,0,1]=4 3972 B11R0.40 CCC(C)CNCCCCCF 2230a_100020588543_100000729378 [0,1,0,0,0,0|2,0,1]=4 3973 B11R0.40 CCC(C)CNCCCCCO 2230a_100000762737_100000748023 [0,1,0,0,0,0|2,0,1]=4 3974 B11R0.40 CCC(C)CNCCCCCO 2230a_100020588543_100000746330 [0,1,0,0,0,0|2,0,1]=4 3975 B11R0.40 CCC(C)CNCCCCCO 270004a_100000762737_100000243153 [0,1,0,0,0,0|2,0,1]=4 3976 B11R0.40 CCC(C)CNCCCCCO 34a_100000762737_100000748023 [0,1,0,0,0,0|2,0,1]=4 3977 B11R0.40 CCC(C)CNCCCCOC 2230a_100020588543_100000730899 [0,1,0,0,0,0|2,0,1]=4 3978 B11R0.40 CCC(C)COCCCCCBr 34a_100000746331_100000748023 [0,1,0,0,0,0|2,0,1]=4 3979 B11R0.40 CCC(C)COCCCCCBr 7a_100000746331_100000748023 [0,1,0,0,0,0|2,0,1]=4 3980 B11R0.40 CCC(C)COCCCCCCl 34a_100000746330_100000748023 [0,1,0,0,0,0|2,0,1]=4 3981 B11R0.40 CCC(C)COCCCCCCl 7a_100000746330_100000748023 [0,1,0,0,0,0|2,0,1]=4 3982 B11R0.40 CCC(C)COCCCCCI 34a_200012148887_100000748023 [0,1,0,0,0,0|2,0,1]=4 3983 B11R0.40 CCC(C)COCCCCCI 7a_200012148887_100000748023 [0,1,0,0,0,0|2,0,1]=4 3984 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,1,0,0,0,0|2,0,1]=4 3985 B11R0.40 CCC(C)COCCCCOC 34a_100000740925_100000748023 [0,1,0,0,0,0|2,0,1]=4 3986 B11R0.40 CCC(C)COCCCCSC 34a_100011217163_100000748023 [0,1,0,0,0,0|2,0,1]=4 3987 B11R0.40 CCC(C)COCCCCSC 7a_100011217163_100000748023 [0,1,0,0,0,0|2,0,1]=4 3988 B11R0.40 CCC(C)CSCCCCCF 62a_100000729378_100000748023 [0,1,0,0,0,0|2,0,1]=4 3989 B11R0.40 CCC(C)CSCCCCCF 62a_100000748023_100000729378 [0,1,0,0,0,0|2,0,1]=4 3990 B11R0.40 CCC(C)CSCCCCCO 62a_100000746330_100000748023 [0,1,0,0,0,0|2,0,1]=4 3991 B11R0.40 CCC(C)CSCCCCCO 62a_100000748023_100000746330 [0,1,0,0,0,0|2,0,1]=4 3992 B11R0.40 CCC(C)CSCCCCOC 62a_100000730899_100000748023 [0,1,0,0,0,0|2,0,1]=4 3993 B11R0.40 CCC(C)CSCCCCOC 62a_100000748023_100000730899 [0,1,0,0,0,0|2,0,1]=4 3994 B11R0.40 CCC(C)NCCCCCCF 2230a_100000209981_100015922095 [0,1,0,0,0,0|2,0,1]=4 3995 B11R0.40 CCC(C)NCCCCCCO 2230a_100000209981_100000766143 [0,1,0,0,0,0|2,0,1]=4 3996 B11R0.40 CCC(C)NCCCCCCO 2230a_100000686447_100000758301 [0,1,0,0,0,0|2,0,1]=4 3997 B11R0.40 CCC(C)NCCCCCCO 34a_100000686447_100011215416 [0,1,0,0,0,0|2,0,1]=4 3998 B11R0.40 CCC(C)NCCCCCOC 2230a_100000747528_100000758301 [0,1,0,0,0,0|2,0,1]=4 3999 B11R0.40 CCC(C)NCCCCCOC 34a_100000747528_100011215416 [0,1,0,0,0,0|2,0,1]=4 4000 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,1,0,0,0,0|2,0,1]=4 4001 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,1,0,0,0,0|2,0,1]=4 4002 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,1,0,0,0,0|2,0,1]=4 4003 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,1,0,0,0,0|2,0,1]=4 4004 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,1,0,0,0,0|2,0,1]=4 4005 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,1,0,0,0,0|2,0,1]=4 4006 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,1,0,0,0,0|2,0,1]=4 4007 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,1,0,0,0,0|2,0,1]=4 4008 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,1,0,0,0,0|2,0,1]=4 4009 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,1,0,0,0,0|2,0,1]=4 4010 B11R0.40 CCC(C)SCCCCCCF 62a_100000758301_100015922095 [0,1,0,0,0,0|2,0,1]=4 4011 B11R0.40 CCC(C)SCCCCCCF 62a_100015922095_100000758301 [0,1,0,0,0,0|2,0,1]=4 4012 B11R0.40 CCC(C)SCCCCCCO 62a_100000758301_100000766143 [0,1,0,0,0,0|2,0,1]=4 4013 B11R0.40 CCC(C)SCCCCCCO 62a_100000766143_100000758301 [0,1,0,0,0,0|2,0,1]=4 4014 B11R0.40 CCC(O)CNCCCCCF 2230a_100011218483_100000729378 [0,1,0,0,0,0|1,0,2]=4 4015 B11R0.40 CCC(O)CNCCCCCO 2230a_100000762737_100011218378 [0,1,0,0,0,0|1,0,2]=4 4016 B11R0.40 CCC(O)CNCCCCCO 2230a_100011218483_100000746330 [0,1,0,0,0,0|1,0,2]=4 4017 B11R0.40 CCC(O)CNCCCCCO 34a_100000762737_100011218378 [0,1,0,0,0,0|1,0,2]=4 4018 B11R0.40 CCC(O)CNCCCCOC 2230a_100011218483_100000730899 [0,1,0,0,0,0|1,0,2]=4 4019 B11R0.40 CCC(O)COCCCCCBr 34a_100000746331_100011218378 [0,1,0,0,0,0|1,0,2]=4 4020 B11R0.40 CCC(O)COCCCCCBr 7a_100000746331_100011218378 [0,1,0,0,0,0|1,0,2]=4 4021 B11R0.40 CCC(O)COCCCCCCl 34a_100000746330_100011218378 [0,1,0,0,0,0|1,0,2]=4 4022 B11R0.40 CCC(O)COCCCCCCl 7a_100000746330_100011218378 [0,1,0,0,0,0|1,0,2]=4 4023 B11R0.40 CCC(O)COCCCCCI 34a_200012148887_100011218378 [0,1,0,0,0,0|1,0,2]=4 4024 B11R0.40 CCC(O)COCCCCCI 7a_200012148887_100011218378 [0,1,0,0,0,0|1,0,2]=4 4025 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,1,0,0,0,0|1,0,2]=4 4026 B11R0.40 CCC(O)COCCCCOC 34a_100000740925_100011218378 [0,1,0,0,0,0|1,0,2]=4 4027 B11R0.40 CCC(O)COCCCCSC 34a_100011217163_100011218378 [0,1,0,0,0,0|1,0,2]=4 4028 B11R0.40 CCC(O)COCCCCSC 7a_100011217163_100011218378 [0,1,0,0,0,0|1,0,2]=4 4029 B11R0.40 CCC(O)CSCCCCCF 62a_100000729378_100011218378 [0,1,0,0,0,0|1,0,2]=4 4030 B11R0.40 CCC(O)CSCCCCCF 62a_100011218378_100000729378 [0,1,0,0,0,0|1,0,2]=4 4031 B11R0.40 CCC(O)CSCCCCCO 62a_100000746330_100011218378 [0,1,0,0,0,0|1,0,2]=4 4032 B11R0.40 CCC(O)CSCCCCCO 62a_100011218378_100000746330 [0,1,0,0,0,0|1,0,2]=4 4033 B11R0.40 CCC(O)CSCCCCOC 62a_100000730899_100011218378 [0,1,0,0,0,0|1,0,2]=4 4034 B11R0.40 CCC(O)CSCCCCOC 62a_100011218378_100000730899 [0,1,0,0,0,0|1,0,2]=4 4035 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,1,0,0,0,0|0,0,2]=3 4036 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,1,0,0,0,0|1,0,2]=4 4037 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,1,0,0,0,0|1,0,2]=4 4038 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,1,0,0,0,0|1,0,2]=4 4039 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,1,0,0,0,0|1,0,2]=4 4040 B11R0.40 CCCC#CCOCC(=O)CC 7a_100000034806_100000747405 [0,1,0,0,0,0|0,0,2]=3 4041 B11R0.40 CCCC#CCOCC(=O)NC 34a_100000034806_100000183359 [0,1,0,0,0,0|1,0,2]=4 4042 B11R0.40 CCCC#CCOCC(=O)NC 7a_100000034806_100000183359 [0,1,0,0,0,0|1,0,2]=4 4043 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,1,0,0,0,0|1,0,2]=4 4044 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,1,0,0,0,0|1,0,2]=4 4045 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|0,0,1]=2 4046 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|1,0,1]=3 4047 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|1,0,1]=3 4048 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|1,0,1]=3 4049 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|1,0,1]=3 4050 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,1,0,0,0,0|0,0,1]=2 4051 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,0,0,0,0|1,0,1]=3 4052 B11R0.40 CCCCCC#CCN(C)CC 2230a_100000225621_100009816472 [0,1,0,0,0,0|2,0,1]=4 4053 B11R0.40 CCCCCC#CCN(C)CC 269982a_100000225621_100009816472 [0,1,0,0,0,0|2,0,1]=4 4054 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,1,0,0,0,0|1,0,1]=3 4055 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|0,0,1]=2 4056 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|1,0,1]=3 4057 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|1,0,1]=3 4058 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|1,0,1]=3 4059 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|1,0,1]=3 4060 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|0,0,0]=1 4061 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|0,0,0]=1 4062 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|1,0,0]=2 4063 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|1,0,0]=2 4064 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|1,0,0]=2 4065 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 4066 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 4067 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 4068 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,1]=4 4069 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|2,0,1]=4 4070 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|2,0,1]=4 4071 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|2,0,1]=4 4072 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|2,0,1]=4 4073 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,1,0,0,0,0|2,0,0]=3 4074 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,1,0,0,0,0|2,0,0]=3 4075 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,1,0,0,0,0|2,0,0]=3 4076 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,1,0,0,0,0|2,0,0]=3 4077 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,1,0,0,0,0|3,0,0]=4 4078 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|0,0,0]=1 4079 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|0,0,0]=1 4080 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|0,0,0]=1 4081 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|0,0,0]=1 4082 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|1,0,0]=2 4083 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|1,0,0]=2 4084 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,0,0,0,0|1,0,0]=2 4085 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,0,0,0,0|1,0,0]=2 4086 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,0,0,0,0|1,0,0]=2 4087 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,0,0,0,0|1,0,0]=2 4088 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,0,0,0,0|1,0,0]=2 4089 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,0,0,0,0|1,0,0]=2 4090 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,1,0,0,0,0|1,0,1]=3 4091 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,1,0,0,0,0|1,0,1]=3 4092 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,1,0,0,0,0|2,0,1]=4 4093 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,1,0,0,0,0|2,0,1]=4 4094 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,1,0,0,0,0|1,0,1]=3 4095 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,1,0,0,0,0|1,0,1]=3 4096 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,1,0,0,0,0|1,0,1]=3 4097 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,1,0,0,0,0|2,0,1]=4 4098 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,1,0,0,0,0|2,0,1]=4 4099 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,1,0,0,0,0|2,0,1]=4 4100 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,1,0,0,0,0|2,0,1]=4 4101 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,1,0,0,0,0|2,0,1]=4 4102 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,1,0,0,0,0|1,0,1]=3 4103 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,1,0,0,0,0|1,0,1]=3 4104 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,1,0,0,0,0|2,0,1]=4 4105 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,1,0,0,0,0|2,0,1]=4 4106 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,1,0,0,0,0|2,0,1]=4 4107 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,1,0,0,0,0|2,0,1]=4 4108 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,1,0,0,0,0|2,0,1]=4 4109 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,0,0,0,0|1,0,0]=2 4110 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,0,0,0,0|1,0,0]=2 4111 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,0,0,0,0|1,0,0]=2 4112 B11R0.40 CCCCCCNCC(C)CC 2230a_100000210581_100000748023 [0,1,0,0,0,0|1,0,1]=3 4113 B11R0.40 CCCCCCNCC(C)CC 2230a_100020588543_100000210314 [0,1,0,0,0,0|1,0,1]=3 4114 B11R0.40 CCCCCCNCC(C)CC 270004a_100000210581_100000243153 [0,1,0,0,0,0|1,0,1]=3 4115 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,1]=4 4116 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,1,0,0,0,0|0,0,2]=3 4117 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,1,0,0,0,0|0,0,2]=3 4118 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,1,0,0,0,0|1,0,2]=4 4119 B11R0.40 CCCCCCNC[C@@H](C)CC 2230a_100000210581_100009816398 [0,1,0,0,0,0|1,0,1]=3 4120 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,1,0,0,0,0|2,0,1]=4 4121 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,1,0,0,0,0|2,0,1]=4 4122 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,1]=4 4123 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,1,0,0,0,0|1,0,2]=4 4124 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,1,0,0,0,0|1,0,2]=4 4125 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,1,0,0,0,0|1,0,2]=4 4126 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|0,0,0]=1 4127 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|0,0,0]=1 4128 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|1,0,0]=2 4129 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|1,0,0]=2 4130 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|1,0,0]=2 4131 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|1,0,0]=2 4132 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|1,0,0]=2 4133 B11R0.40 CCCCCCOCC(C)CC 34a_100000210259_100000748023 [0,1,0,0,0,0|1,0,1]=3 4134 B11R0.40 CCCCCCOCC(C)CC 7a_100000210259_100000748023 [0,1,0,0,0,0|1,0,1]=3 4135 B11R0.40 CCCCCCOCC(C)CN 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,1]=4 4136 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,1,0,0,0,0|2,0,1]=4 4137 B11R0.40 CCCCCCOCC(Cl)CCl 34a_100000033668_100000210314 [0,1,0,0,0,0|2,0,1]=4 4138 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,1,0,0,0,0|0,0,2]=3 4139 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,1,0,0,0,0|0,0,2]=3 4140 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,1,0,0,0,0|1,0,2]=4 4141 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,1,0,0,0,0|1,0,2]=4 4142 B11R0.40 CCCCCCOC[C@@H](C)CC 34a_100000210259_100009816398 [0,1,0,0,0,0|1,0,1]=3 4143 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100000210259_100009816398 [0,1,0,0,0,0|1,0,1]=3 4144 B11R0.40 CCCCCCOC[C@@H](C)CC 7a_100009816381_100000210314 [0,1,0,0,0,0|1,0,1]=3 4145 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,1,0,0,0,0|2,0,1]=4 4146 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,1,0,0,0,0|2,0,1]=4 4147 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,1,0,0,0,0|1,0,2]=4 4148 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,1,0,0,0,0|1,0,2]=4 4149 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,1,0,0,0,0|1,0,2]=4 4150 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,1,0,0,0,0|1,0,2]=4 4151 B11R0.40 CCCCCCOC[C@H](F)CN 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,1]=4 4152 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|0,0,0]=1 4153 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|0,0,0]=1 4154 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,0,0,0,0|1,0,0]=2 4155 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,0,0,0,0|1,0,0]=2 4156 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,0,0,0,0|1,0,0]=2 4157 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,0,0,0,0|1,0,0]=2 4158 B11R0.40 CCCCCCSCC(C)CC 62a_100000210314_100000748023 [0,1,0,0,0,0|1,0,1]=3 4159 B11R0.40 CCCCCCSCC(C)CC 62a_100000748023_100000210757 [0,1,0,0,0,0|1,0,1]=3 4160 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,1,0,0,0,0|0,0,2]=3 4161 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,1,0,0,0,0|0,0,2]=3 4162 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,1,0,0,0,0|1,0,2]=4 4163 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,1,0,0,0,0|1,0,2]=4 4164 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100000210314_100009816398 [0,1,0,0,0,0|1,0,1]=3 4165 B11R0.40 CCCCCCSC[C@@H](C)CC 62a_100009816398_100000210757 [0,1,0,0,0,0|1,0,1]=3 4166 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,1,0,0,0,0|2,0,1]=4 4167 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,1,0,0,0,0|2,0,1]=4 4168 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,1,0,0,0,0|1,0,2]=4 4169 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,1,0,0,0,0|1,0,2]=4 4170 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,1,0,0,0,0|1,0,2]=4 4171 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,1,0,0,0,0|1,0,2]=4 4172 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,0,0,0,0|1,0,0]=2 4173 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,0,0,0,0|1,0,0]=2 4174 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,0,0,0,0|1,0,0]=2 4175 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,0,0,0,0|1,0,0]=2 4176 B11R0.40 CCCCCNCCC(C)CC 2230a_100020591266_100000210326 [0,1,0,0,0,0|1,0,1]=3 4177 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,1,0,0,0,0|2,0,1]=4 4178 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,1]=4 4179 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,1,0,0,0,0|2,0,1]=4 4180 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,1,0,0,0,0|3,0,0]=4 4181 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,0,0,0,0|1,0,0]=2 4182 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,0,0,0,0|1,0,0]=2 4183 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,0,0,0,0|1,0,0]=2 4184 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,0,0,0,0|1,0,0]=2 4185 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,0,0,0,0|1,0,0]=2 4186 B11R0.40 CCCCCOCCC(C)CC 7a_100011215188_100000210326 [0,1,0,0,0,0|1,0,1]=3 4187 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,1,0,0,0,0|2,0,1]=4 4188 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,0,0,0,0|1,0,0]=2 4189 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,0,0,0,0|1,0,0]=2 4190 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,0,0,0,0|1,0,0]=2 4191 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,0,0,0,0|1,0,0]=2 4192 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,0,0,0,0|2,0,0]=3 4193 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,1,0,0,0,0|1,0,2]=4 4194 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,1,0,0,0,0|1,0,2]=4 4195 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,0,0,0,0|1,0,0]=2 4196 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,0,0,0,0|1,0,0]=2 4197 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,0,0,0,0|1,0,0]=2 4198 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,0,0,0,0|1,0,0]=2 4199 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,0,0,0,0|1,0,0]=2 4200 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,0,0,0,0|1,0,0]=2 4201 B11R0.40 CCCCNCCCN(C)CC 2230a_100000102301_100015186262 [0,1,0,0,0,0|2,0,0]=3 4202 B11R0.40 CCCCNCCCN(C)CC 7a_106832991798_100015186262 [0,1,0,0,0,0|2,0,0]=3 4203 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|1,0,0]=2 4204 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,1,0,0,0,0|2,0,0]=3 4205 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,0,0,0,0|2,0,0]=3 4206 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,1,0,0,0,0|2,0,1]=4 4207 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,1,0,0,0,0|1,0,2]=4 4208 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,1,0,0,0,0|1,0,2]=4 4209 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,0,0,0,0|1,0,0]=2 4210 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,0,0,0,0|1,0,0]=2 4211 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,1,0,0,0,0|2,0,0]=3 4212 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,0,0,0,0|1,0,0]=2 4213 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,0,0,0,0|1,0,0]=2 4214 B11R0.40 CCCCOCCCC(C)CC 7a_100011216074_100000210211 [0,1,0,0,0,0|1,0,1]=3 4215 B11R0.40 CCCCOCCCN(C)CC 7a_100000210227_100015186262 [0,1,0,0,0,0|2,0,0]=3 4216 B11R0.40 CCCCOCCC[C@@H](C)CN 34a_100160569302_100000210210 [0,1,0,0,0,0|2,0,1]=4 4217 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|1,0,0]=2 4218 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|1,0,0]=2 4219 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,0,0,0,0|2,0,0]=3 4220 B11R0.40 CCCCOCCNC(C)CC 2230a_100000209981_100000743108 [0,1,0,0,0,0|2,0,1]=4 4221 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|1,0,0]=2 4222 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,0,0,0,0|2,0,0]=3 4223 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,0,0,0,0|2,0,0]=3 4224 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,0,0,0,0|2,0,0]=3 4225 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,1,0,0,0,0|2,0,1]=4 4226 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,1,0,0,0,0|2,0,1]=4 4227 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,1,0,0,0,0|2,0,1]=4 4228 B11R0.40 CCCCOCCSC(C)CC 62a_100000743108_100000758301 [0,1,0,0,0,0|2,0,1]=4 4229 B11R0.40 CCCCOCCSC(C)CC 62a_100000758301_100000743108 [0,1,0,0,0,0|2,0,1]=4 4230 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,1,0,0,0,0|2,0,0]=3 4231 B11R0.40 CCCCOCNCC(C)CC 2230a_100020588543_100011995733 [0,1,0,0,0,0|2,0,1]=4 4232 B11R0.40 CCCCOCNCC(O)CC 2230a_100011218483_100011995733 [0,1,0,0,0,0|1,0,2]=4 4233 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|1,0,0]=2 4234 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,1,0,0,0,0|2,0,0]=3 4235 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,0,0,0,0|1,0,0]=2 4236 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,0,0,0,0|1,0,0]=2 4237 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,1,0,0,0,0|2,0,0]=3 4238 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,1,0,0,0,0|2,0,0]=3 4239 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,1,0,0,0,0|2,0,0]=3 4240 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,1,0,0,0,0|2,0,0]=3 4241 B11R0.40 CCCCOCSCC(C)CC 62a_100000748023_100011995733 [0,1,0,0,0,0|2,0,1]=4 4242 B11R0.40 CCCCOCSCC(C)CC 62a_100011995733_100000748023 [0,1,0,0,0,0|2,0,1]=4 4243 B11R0.40 CCCCOCSCC(O)CC 62a_100011218378_100011995733 [0,1,0,0,0,0|1,0,2]=4 4244 B11R0.40 CCCCOCSCC(O)CC 62a_100011995733_100011218378 [0,1,0,0,0,0|1,0,2]=4 4245 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100009816398_100011995733 [0,1,0,0,0,0|2,0,1]=4 4246 B11R0.40 CCCCOCSC[C@@H](C)CC 62a_100011995733_100009816398 [0,1,0,0,0,0|2,0,1]=4 4247 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,1,0,0,0,0|1,0,2]=4 4248 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,1,0,0,0,0|1,0,2]=4 4249 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,0,0,0,0|1,0,0]=2 4250 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,0,0,0,0|1,0,0]=2 4251 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,0,0,0,0|1,0,0]=2 4252 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,0,0,0,0|1,0,0]=2 4253 B11R0.40 CCCCSCCCN(C)CC 62a_100000210211_100015186262 [0,1,0,0,0,0|2,0,0]=3 4254 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|1,0,0]=2 4255 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|1,0,0]=2 4256 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|1,0,0]=2 4257 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|1,0,0]=2 4258 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,1,0,0,0,0|2,0,0]=3 4259 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,1,0,0,0,0|2,0,0]=3 4260 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,1,0,0,0,0|2,0,0]=3 4261 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,1,0,0,0,0|2,0,0]=3 4262 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,1,0,0,0,0|2,0,0]=3 4263 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,1,0,0,0,0|2,0,0]=3 4264 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,1,0,0,0,0|2,0,0]=3 4265 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,1,0,0,0,0|2,0,0]=3 4266 B11R0.40 CCCCSCCNC(C)CC 2230a_100025743550_100000758301 [0,1,0,0,0,0|2,0,1]=4 4267 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,0,0,0,0|2,0,0]=3 4268 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,0,0,0,0|2,0,0]=3 4269 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,1,0,0,0,0|2,0,1]=4 4270 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,1,0,0,0,0|2,0,1]=4 4271 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [0,1,0,0,0,0|2,0,1]=4 4272 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,0,0,0,0|1,0,0]=2 4273 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,0,0,0,0|1,0,0]=2 4274 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,0,0,0,0|1,0,0]=2 4275 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|1,0,0]=2 4276 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|1,0,0]=2 4277 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|1,0,0]=2 4278 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,0,0,0,0|2,0,0]=3 4279 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,0,0,0,0|2,0,0]=3 4280 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,1,0,0,0,0|2,0,0]=3 4281 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,1,0,0,0,0|2,0,0]=3 4282 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,1,0,0,0,0|2,0,0]=3 4283 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,1,0,0,0,0|2,0,0]=3 4284 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,1,0,0,0,0|2,0,0]=3 4285 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,1,0,0,0,0|2,0,0]=3 4286 B11R0.40 CCCOCCCNC(C)CC 2230a_100011217757_100000758301 [0,1,0,0,0,0|2,0,1]=4 4287 B11R0.40 CCCOCCCNC(C)CC 34a_100011217757_100011215416 [0,1,0,0,0,0|2,0,1]=4 4288 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,1,0,0,0,0|2,0,0]=3 4289 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,1,0,0,0,0|2,0,0]=3 4290 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,1,0,0,0,0|2,0,0]=3 4291 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,0,0,0,0|2,0,0]=3 4292 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,0,0,0,0|2,0,0]=3 4293 B11R0.40 CCCOCCNCC(C)CC 2230a_100020588543_100011215938 [0,1,0,0,0,0|2,0,1]=4 4294 B11R0.40 CCCOCCNCC(C)CC 2230a_100161115042_100000748023 [0,1,0,0,0,0|2,0,1]=4 4295 B11R0.40 CCCOCCNCC(C)CC 270004a_100161115042_100000243153 [0,1,0,0,0,0|2,0,1]=4 4296 B11R0.40 CCCOCCNCC(C)CC 34a_100161115042_100000748023 [0,1,0,0,0,0|2,0,1]=4 4297 B11R0.40 CCCOCCNCC(O)CC 2230a_100011218483_100011215938 [0,1,0,0,0,0|1,0,2]=4 4298 B11R0.40 CCCOCCNCC(O)CC 2230a_100161115042_100011218378 [0,1,0,0,0,0|1,0,2]=4 4299 B11R0.40 CCCOCCNCC(O)CC 34a_100161115042_100011218378 [0,1,0,0,0,0|1,0,2]=4 4300 B11R0.40 CCCOCCNC[C@@H](C)CC 2230a_100161115042_100009816398 [0,1,0,0,0,0|2,0,1]=4 4301 B11R0.40 CCCOCCNC[C@@H](C)CC 34a_100161115042_100009816398 [0,1,0,0,0,0|2,0,1]=4 4302 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|1,0,0]=2 4303 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|1,0,0]=2 4304 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,0,0,0,0|2,0,0]=3 4305 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,0,0,0,0|2,0,0]=3 4306 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,0,0,0,0|2,0,0]=3 4307 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,0,0,0,0|2,0,0]=3 4308 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,0,0,0,0|2,0,0]=3 4309 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,0,0,0,0|2,0,0]=3 4310 B11R0.40 CCCOCCOCC(C)CC 34a_100000752267_100000748023 [0,1,0,0,0,0|2,0,1]=4 4311 B11R0.40 CCCOCCOCC(C)CC 7a_100000752267_100000748023 [0,1,0,0,0,0|2,0,1]=4 4312 B11R0.40 CCCOCCOCC(O)CC 34a_100000752267_100011218378 [0,1,0,0,0,0|1,0,2]=4 4313 B11R0.40 CCCOCCOCC(O)CC 7a_100000752267_100011218378 [0,1,0,0,0,0|1,0,2]=4 4314 B11R0.40 CCCOCCOC[C@@H](C)CC 34a_100000752267_100009816398 [0,1,0,0,0,0|2,0,1]=4 4315 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100000752267_100009816398 [0,1,0,0,0,0|2,0,1]=4 4316 B11R0.40 CCCOCCOC[C@@H](C)CC 7a_100009816381_100011215938 [0,1,0,0,0,0|2,0,1]=4 4317 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|1,0,0]=2 4318 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|1,0,0]=2 4319 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,1,0,0,0,0|2,0,0]=3 4320 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,1,0,0,0,0|2,0,0]=3 4321 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,0,0,0,0|2,0,0]=3 4322 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,0,0,0,0|2,0,0]=3 4323 B11R0.40 CCCOCCSCC(C)CC 62a_100000748023_100011215938 [0,1,0,0,0,0|2,0,1]=4 4324 B11R0.40 CCCOCCSCC(C)CC 62a_100011215938_100000748023 [0,1,0,0,0,0|2,0,1]=4 4325 B11R0.40 CCCOCCSCC(O)CC 62a_100011215938_100011218378 [0,1,0,0,0,0|1,0,2]=4 4326 B11R0.40 CCCOCCSCC(O)CC 62a_100011218378_100011215938 [0,1,0,0,0,0|1,0,2]=4 4327 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100009816398_100011215938 [0,1,0,0,0,0|2,0,1]=4 4328 B11R0.40 CCCOCCSC[C@@H](C)CC 62a_100011215938_100009816398 [0,1,0,0,0,0|2,0,1]=4 4329 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,0,0,0,0|1,0,0]=2 4330 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,0,0,0,0|1,0,0]=2 4331 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,1,0,0,0,0|2,0,0]=3 4332 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,1,0,0,0,0|2,0,0]=3 4333 B11R0.40 CCCSCCNCC(C)CC 2230a_100020603323_100000748023 [0,1,0,0,0,0|2,0,1]=4 4334 B11R0.40 CCCSCCNCC(C)CC 270004a_100020603323_100000243153 [0,1,0,0,0,0|2,0,1]=4 4335 B11R0.40 CCCSCCNCC(O)CC 2230a_100020603323_100011218378 [0,1,0,0,0,0|1,0,2]=4 4336 B11R0.40 CCCSCCNC[C@@H](C)CC 2230a_100020603323_100009816398 [0,1,0,0,0,0|2,0,1]=4 4337 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|1,0,0]=2 4338 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,0,0,0,0|2,0,0]=3 4339 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,0,0,0,0|2,0,0]=3 4340 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,0,0,0,0|2,0,0]=3 4341 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,0,0,0,0|2,0,0]=3 4342 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,0,0,0,0|2,0,0]=3 4343 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,0,0,0,0|2,0,0]=3 4344 B11R0.40 CCCSCCOCC(C)CC 34a_200000230433_100000748023 [0,1,0,0,0,0|2,0,1]=4 4345 B11R0.40 CCCSCCOCC(C)CC 7a_200000230433_100000748023 [0,1,0,0,0,0|2,0,1]=4 4346 B11R0.40 CCCSCCOCC(O)CC 34a_200000230433_100011218378 [0,1,0,0,0,0|1,0,2]=4 4347 B11R0.40 CCCSCCOCC(O)CC 7a_200000230433_100011218378 [0,1,0,0,0,0|1,0,2]=4 4348 B11R0.40 CCCSCCOC[C@@H](C)CC 34a_200000230433_100009816398 [0,1,0,0,0,0|2,0,1]=4 4349 B11R0.40 CCCSCCOC[C@@H](C)CC 7a_200000230433_100009816398 [0,1,0,0,0,0|2,0,1]=4 4350 B11R0.40 CCN(C)CCCCCCC#N 2230a_100000225621_100009813337 [0,1,0,0,0,0|2,0,1]=4 4351 B11R0.40 CCN(C)CCCCCCC#N 269982a_100000225621_100009813337 [0,1,0,0,0,0|2,0,1]=4 4352 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,1,0,0,0,0|2,0,0]=3 4353 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,1,0,0,0,0|2,0,0]=3 4354 B11R0.40 CCN(C)CCCCCCOC 2230a_100000225621_100011998445 [0,1,0,0,0,0|2,0,0]=3 4355 B11R0.40 CCN(C)CCCCCCOC 269982a_100000225621_100011998445 [0,1,0,0,0,0|2,0,0]=3 4356 B11R0.40 CCN(C)CCCNCCCF 2230a_100015189416_100015186262 [0,1,0,0,0,0|3,0,0]=4 4357 B11R0.40 CCN(C)CCCNCCOC 2230a_100000209980_100015186262 [0,1,0,0,0,0|3,0,0]=4 4358 B11R0.40 CCN(C)CCCNCCSC 2230a_100020590264_100015186262 [0,1,0,0,0,0|3,0,0]=4 4359 B11R0.40 CCN(C)CCCOCCOC 2230a_100000225621_100011216529 [0,1,0,0,0,0|3,0,0]=4 4360 B11R0.40 CCN(C)CCCOCCOC 269982a_100000225621_100011216529 [0,1,0,0,0,0|3,0,0]=4 4361 B11R0.40 CCN(C)CCCOCCSC 7a_100000230434_100015186262 [0,1,0,0,0,0|3,0,0]=4 4362 B11R0.40 CCN(C)CCCSCCCF 62a_100011934791_100015186262 [0,1,0,0,0,0|3,0,0]=4 4363 B11R0.40 CCN(C)CCCSCCCO 62a_100011215043_100015186262 [0,1,0,0,0,0|3,0,0]=4 4364 B11R0.40 CCN(C)CCCSCCOC 62a_100000233755_100015186262 [0,1,0,0,0,0|3,0,0]=4 4365 B11R0.40 CCN(C)CCCSCCSC 62a_100000212216_100015186262 [0,1,0,0,0,0|3,0,0]=4 4366 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,0,0,0,0|1,0,0]=2 4367 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [0,1,0,0,0,0|2,0,1]=4 4368 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,0,0,0,0|1,0,0]=2 4369 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,0,0,0,0|1,0,0]=2 4370 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,0,0,0,0|1,0,0]=2 4371 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [0,1,0,0,0,0|1,0,1]=3 4372 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,1,0,0,0,0|2,0,0]=3 4373 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,1,0,0,0,0|2,0,0]=3 4374 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,1,0,0,0,0|2,0,0]=3 4375 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,1,0,0,0,0|2,0,0]=3 4376 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,1,0,0,0,0|2,0,0]=3 4377 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [0,1,0,0,0,0|2,0,1]=4 4378 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [0,1,0,0,0,0|2,0,1]=4 4379 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [0,1,0,0,0,0|2,0,1]=4 4380 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [0,1,0,0,0,0|2,0,1]=4 4381 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [0,1,0,0,0,0|1,0,2]=4 4382 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [0,1,0,0,0,0|1,0,2]=4 4383 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [0,1,0,0,0,0|1,0,2]=4 4384 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [0,1,0,0,0,0|2,0,1]=4 4385 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [0,1,0,0,0,0|2,0,1]=4 4386 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|1,0,0]=2 4387 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|1,0,0]=2 4388 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,1,0,0,0,0|2,0,0]=3 4389 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,1,0,0,0,0|2,0,0]=3 4390 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,1,0,0,0,0|2,0,0]=3 4391 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,0,0,0,0|2,0,0]=3 4392 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,0,0,0,0|2,0,0]=3 4393 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [0,1,0,0,0,0|2,0,1]=4 4394 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [0,1,0,0,0,0|2,0,1]=4 4395 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [0,1,0,0,0,0|1,0,2]=4 4396 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [0,1,0,0,0,0|1,0,2]=4 4397 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [0,1,0,0,0,0|2,0,1]=4 4398 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [0,1,0,0,0,0|2,0,1]=4 4399 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [0,1,0,0,0,0|2,0,1]=4 4400 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|1,0,0]=2 4401 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|1,0,0]=2 4402 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,1,0,0,0,0|2,0,0]=3 4403 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,1,0,0,0,0|2,0,0]=3 4404 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,1,0,0,0,0|2,0,0]=3 4405 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,1,0,0,0,0|2,0,0]=3 4406 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [0,1,0,0,0,0|2,0,1]=4 4407 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [0,1,0,0,0,0|2,0,1]=4 4408 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [0,1,0,0,0,0|1,0,2]=4 4409 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [0,1,0,0,0,0|1,0,2]=4 4410 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [0,1,0,0,0,0|2,0,1]=4 4411 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [0,1,0,0,0,0|2,0,1]=4 4412 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,1,0,0,0,0|2,0,0]=3 4413 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,1,0,0,0,0|2,0,0]=3 4414 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,1,0,0,0,0|2,0,0]=3 4415 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,1,0,0,0,0|2,0,0]=3 4416 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,1,0,0,0,0|2,0,0]=3 4417 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,1,0,0,0,0|2,0,0]=3 4418 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [0,1,0,0,0,0|2,0,1]=4 4419 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,1,0,0,0,0|1,0,0]=2 4420 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,1,0,0,0,0|2,0,0]=3 4421 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,1,0,0,0,0|2,0,0]=3 4422 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,1,0,0,0,0|2,0,0]=3 4423 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,1,0,0,0,0|2,0,0]=3 4424 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,1,0,0,0,0|2,0,0]=3 4425 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,1,0,0,0,0|2,0,0]=3 4426 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [0,1,0,0,0,0|2,0,1]=4 4427 B11R0.40 CCOCCOCCN(C)CC 2230a_100000225621_100011211534 [0,1,0,0,0,0|3,0,0]=4 4428 B11R0.40 CCOCCOCCN(C)CC 269982a_100000225621_100011211534 [0,1,0,0,0,0|3,0,0]=4 4429 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,1,0,0,0,0|2,0,0]=3 4430 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,1,0,0,0,0|2,0,0]=3 4431 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,1,0,0,0,0|2,0,0]=3 4432 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,1,0,0,0,0|2,0,0]=3 4433 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,1,0,0,0,0|3,0,0]=4 4434 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,1,0,0,0,0|2,0,0]=3 4435 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,1,0,0,0,0|2,0,0]=3 4436 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,1,0,0,0,0|2,0,0]=3 4437 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,1,0,0,0,0|2,0,0]=3 4438 B11R0.40 CCOCSCCCN(C)CC 62a_100000739092_100015186262 [0,1,0,0,0,0|3,0,0]=4 4439 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,1,0,0,0,0|3,0,0]=4 4440 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,1,0,0,0,0|3,0,0]=4 4441 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,0,0,0,0|1,0,0]=2 4442 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,0,0,0,0|1,0,0]=2 4443 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|1,0,0]=2 4444 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,1,0,0,0,0|2,0,0]=3 4445 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,1,0,0,0,0|2,0,0]=3 4446 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,0,0,0,0|2,0,0]=3 4447 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,0,0,0,0|2,0,0]=3 4448 B11R0.40 CCSCCCOCC(C)CC 34a_100011216438_100000748023 [0,1,0,0,0,0|2,0,1]=4 4449 B11R0.40 CCSCCCOCC(C)CC 7a_100011216438_100000748023 [0,1,0,0,0,0|2,0,1]=4 4450 B11R0.40 CCSCCCOCC(O)CC 34a_100011216438_100011218378 [0,1,0,0,0,0|1,0,2]=4 4451 B11R0.40 CCSCCCOCC(O)CC 7a_100011216438_100011218378 [0,1,0,0,0,0|1,0,2]=4 4452 B11R0.40 CCSCCCOC[C@@H](C)CC 34a_100011216438_100009816398 [0,1,0,0,0,0|2,0,1]=4 4453 B11R0.40 CCSCCCOC[C@@H](C)CC 7a_100011216438_100009816398 [0,1,0,0,0,0|2,0,1]=4 4454 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,1,0,0,0,0|2,0,0]=3 4455 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,1,0,0,0,0|2,0,0]=3 4456 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,1,0,0,0,0|2,0,0]=3 4457 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,1,0,0,0,0|2,0,0]=3 4458 B11R0.40 CCSCCNCCC(C)CC 2230a_100020591266_100000757381 [0,1,0,0,0,0|2,0,1]=4 4459 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,1,0,0,0,0|2,0,0]=3 4460 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,1,0,0,0,0|2,0,0]=3 4461 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,1,0,0,0,0|2,0,0]=3 4462 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,1,0,0,0,0|2,0,0]=3 4463 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,1,0,0,0,0|2,0,0]=3 4464 B11R0.40 CCSCCOCCC(C)CC 7a_100011215188_100000757381 [0,1,0,0,0,0|2,0,1]=4 4465 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,1,0,0,0,0|2,0,0]=3 4466 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,1,0,0,0,0|2,0,0]=3 4467 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,1,0,0,0,0|2,0,0]=3 4468 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,1,0,0,0,0|2,0,0]=3 4469 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,1,0,0,0,0|3,0,0]=4 4470 B11R0.40 CC[C@H](C)CNCCCCCO 2230a_100000762737_100009816398 [0,1,0,0,0,0|2,0,1]=4 4471 B11R0.40 CC[C@H](C)CNCCCCCO 34a_100000762737_100009816398 [0,1,0,0,0,0|2,0,1]=4 4472 B11R0.40 CC[C@H](C)COCCCCCBr 34a_100000746331_100009816398 [0,1,0,0,0,0|2,0,1]=4 4473 B11R0.40 CC[C@H](C)COCCCCCBr 7a_100000746331_100009816398 [0,1,0,0,0,0|2,0,1]=4 4474 B11R0.40 CC[C@H](C)COCCCCCCl 34a_100000746330_100009816398 [0,1,0,0,0,0|2,0,1]=4 4475 B11R0.40 CC[C@H](C)COCCCCCCl 7a_100000746330_100009816398 [0,1,0,0,0,0|2,0,1]=4 4476 B11R0.40 CC[C@H](C)COCCCCCF 7a_100009816381_100000729378 [0,1,0,0,0,0|2,0,1]=4 4477 B11R0.40 CC[C@H](C)COCCCCCI 34a_200012148887_100009816398 [0,1,0,0,0,0|2,0,1]=4 4478 B11R0.40 CC[C@H](C)COCCCCCI 7a_200012148887_100009816398 [0,1,0,0,0,0|2,0,1]=4 4479 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,1,0,0,0,0|2,0,1]=4 4480 B11R0.40 CC[C@H](C)COCCCCCO 7a_100009816381_100000746330 [0,1,0,0,0,0|2,0,1]=4 4481 B11R0.40 CC[C@H](C)COCCCCOC 34a_100000740925_100009816398 [0,1,0,0,0,0|2,0,1]=4 4482 B11R0.40 CC[C@H](C)COCCCCOC 7a_100009816381_100000730899 [0,1,0,0,0,0|2,0,1]=4 4483 B11R0.40 CC[C@H](C)COCCCCSC 34a_100011217163_100009816398 [0,1,0,0,0,0|2,0,1]=4 4484 B11R0.40 CC[C@H](C)COCCCCSC 7a_100011217163_100009816398 [0,1,0,0,0,0|2,0,1]=4 4485 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100000729378_100009816398 [0,1,0,0,0,0|2,0,1]=4 4486 B11R0.40 CC[C@H](C)CSCCCCCF 62a_100009816398_100000729378 [0,1,0,0,0,0|2,0,1]=4 4487 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100000746330_100009816398 [0,1,0,0,0,0|2,0,1]=4 4488 B11R0.40 CC[C@H](C)CSCCCCCO 62a_100009816398_100000746330 [0,1,0,0,0,0|2,0,1]=4 4489 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100000730899_100009816398 [0,1,0,0,0,0|2,0,1]=4 4490 B11R0.40 CC[C@H](C)CSCCCCOC 62a_100009816398_100000730899 [0,1,0,0,0,0|2,0,1]=4 4491 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|1,0,0]=2 4492 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 11a_106832991635_100009870042 [0,1,0,0,0,0|3,0,0]=4 4493 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 240690a_100102657272_100009870042 [0,1,0,0,0,0|3,0,0]=4 4494 B11R0.40 CNC(=O)CCCCCN=[N+]=[N-] 527a_100102657272_100009870042 [0,1,0,0,0,0|3,0,0]=4 4495 B11R0.40 CNC(=O)CCCNCCC#N 2230a_100000740002_100011215226 [0,1,0,0,0,0|2,0,1]=4 4496 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,1,0,0,0,0|2,0,0]=3 4497 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,1,0,0,0,0|2,0,0]=3 4498 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,1,0,0,0,0|2,0,0]=3 4499 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,1,0,0,0,0|2,0,0]=3 4500 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,1,0,0,0,0|2,0,0]=3 4501 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,1,0,0,0,0|2,0,0]=3 4502 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,1,0,0,0,0|2,0,0]=3 4503 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,1,0,0,0,0|2,0,0]=3 4504 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,1,0,0,0,0|2,0,0]=3 4505 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,1,0,0,0,0|2,0,0]=3 4506 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,1,0,0,0,0|2,0,0]=3 4507 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,1,0,0,0,0|2,0,0]=3 4508 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,1,0,0,0,0|2,0,0]=3 4509 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,1,0,0,0,0|2,0,0]=3 4510 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,1,0,0,0,0|2,0,0]=3 4511 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,1,0,0,0,0|2,0,0]=3 4512 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,1,0,0,0,0|2,0,0]=3 4513 B11R0.40 CNC(=O)CCCOCCON 34a_100000700252_100000741757 [0,1,0,0,0,0|3,0,0]=4 4514 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,1,0,0,0,0|2,0,0]=3 4515 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,1,0,0,0,0|2,0,0]=3 4516 B11R0.40 CNC(=O)CCCSCCC#N 62a_100000741757_100011215226 [0,1,0,0,0,0|2,0,1]=4 4517 B11R0.40 CNC(=O)CCCSCCC#N 62a_100011215226_100000741757 [0,1,0,0,0,0|2,0,1]=4 4518 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,1,0,0,0,0|2,0,0]=3 4519 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,1,0,0,0,0|2,0,0]=3 4520 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,1,0,0,0,0|2,0,0]=3 4521 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,1,0,0,0,0|2,0,0]=3 4522 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,1,0,0,0,0|2,0,0]=3 4523 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,1,0,0,0,0|2,0,0]=3 4524 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,1,0,0,0,0|2,0,0]=3 4525 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,1,0,0,0,0|2,0,0]=3 4526 B11R0.40 CNC(=O)CCNCCCC#N 2230a_100000738227_100000687738 [0,1,0,0,0,0|2,0,1]=4 4527 B11R0.40 CNC(=O)CCNCCCC=O 2230a_100000738227_200011292268 [0,1,0,0,0,0|2,0,1]=4 4528 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,1,0,0,0,0|2,0,0]=3 4529 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,1,0,0,0,0|2,0,0]=3 4530 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,1,0,0,0,0|2,0,0]=3 4531 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,1,0,0,0,0|2,0,0]=3 4532 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,1,0,0,0,0|2,0,0]=3 4533 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,1,0,0,0,0|2,0,0]=3 4534 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,1,0,0,0,0|2,0,0]=3 4535 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,1,0,0,0,0|2,0,0]=3 4536 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,1,0,0,0,0|2,0,0]=3 4537 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,1,0,0,0,0|2,0,0]=3 4538 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,1,0,0,0,0|2,0,0]=3 4539 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,1,0,0,0,0|2,0,0]=3 4540 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,1,0,0,0,0|2,0,0]=3 4541 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,1,0,0,0,0|2,0,0]=3 4542 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,1,0,0,0,0|2,0,0]=3 4543 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,1,0,0,0,0|2,0,0]=3 4544 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,1,0,0,0,0|2,0,0]=3 4545 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,1,0,0,0,0|2,0,0]=3 4546 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,1,0,0,0,0|2,0,0]=3 4547 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,1,0,0,0,0|2,0,0]=3 4548 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,1,0,0,0,0|2,0,0]=3 4549 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,1,0,0,0,0|2,0,0]=3 4550 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,1,0,0,0,0|2,0,0]=3 4551 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000687738_100000737683 [0,1,0,0,0,0|2,0,1]=4 4552 B11R0.40 CNC(=O)CCSCCCC#N 62a_100000737683_100000687738 [0,1,0,0,0,0|2,0,1]=4 4553 B11R0.40 CNC(=O)CCSCCCC=O 62a_100000737683_200011292268 [0,1,0,0,0,0|2,0,1]=4 4554 B11R0.40 CNC(=O)CCSCCCC=O 62a_200011292268_100000737683 [0,1,0,0,0,0|2,0,1]=4 4555 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,1,0,0,0,0|2,0,0]=3 4556 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,1,0,0,0,0|2,0,0]=3 4557 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,1,0,0,0,0|2,0,0]=3 4558 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,1,0,0,0,0|2,0,0]=3 4559 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,1,0,0,0,0|2,0,0]=3 4560 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,1,0,0,0,0|2,0,0]=3 4561 B11R0.40 CNC(=O)CNCCCCC#N 2230a_100000693194_100000211819 [0,1,0,0,0,0|2,0,1]=4 4562 B11R0.40 CNC(=O)CNCCCCC=O 2230a_100000693194_100000139335 [0,1,0,0,0,0|2,0,1]=4 4563 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,1,0,0,0,0|2,0,0]=3 4564 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,0,0,0,0|2,0,0]=3 4565 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 4566 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 4567 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,1,0,0,0,0|2,0,0]=3 4568 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 4569 B11R0.40 CNC(=O)CNCCOCCO 2230a_100000693194_100011215305 [0,1,0,0,0,0|3,0,0]=4 4570 B11R0.40 CNC(=O)CNCCOCCO 34a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 4571 B11R0.40 CNC(=O)CNCCSCCO 2230a_100011219999_100000183359 [0,1,0,0,0,0|3,0,0]=4 4572 B11R0.40 CNC(=O)CNCOCCOC 2230a_100000693194_100000231047 [0,1,0,0,0,0|3,0,0]=4 4573 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,1,0,0,0,0|2,0,0]=3 4574 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,1,0,0,0,0|2,0,0]=3 4575 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 4576 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 4577 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,1,0,0,0,0|2,0,0]=3 4578 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,1,0,0,0,0|2,0,0]=3 4579 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,1,0,0,0,0|2,0,0]=3 4580 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,0]=3 4581 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,0,0,0,0|2,0,0]=3 4582 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,1,0,0,0,0|2,0,0]=3 4583 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,1,0,0,0,0|2,0,0]=3 4584 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,1,0,0,0,0|2,0,0]=3 4585 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,1,0,0,0,0|2,0,0]=3 4586 B11R0.40 CNC(=O)COCCOCCBr 34a_100000692535_100000183359 [0,1,0,0,0,0|3,0,0]=4 4587 B11R0.40 CNC(=O)COCCOCCBr 7a_100000692535_100000183359 [0,1,0,0,0,0|3,0,0]=4 4588 B11R0.40 CNC(=O)COCCOCCCl 34a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 4589 B11R0.40 CNC(=O)COCCOCCCl 7a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 4590 B11R0.40 CNC(=O)COCCOCCF 34a_200015357709_100000183359 [0,1,0,0,0,0|3,0,0]=4 4591 B11R0.40 CNC(=O)COCCOCCF 7a_200015357709_100000183359 [0,1,0,0,0,0|3,0,0]=4 4592 B11R0.40 CNC(=O)COCCOCCI 34a_100012149058_100000183359 [0,1,0,0,0,0|3,0,0]=4 4593 B11R0.40 CNC(=O)COCCOCCI 7a_100012149058_100000183359 [0,1,0,0,0,0|3,0,0]=4 4594 B11R0.40 CNC(=O)COCCOCCN 34a_100000211614_100000183359 [0,1,0,0,0,0|3,0,0]=4 4595 B11R0.40 CNC(=O)COCCOCCO 1626a_100102657272_106645077154 [0,1,0,0,0,0|3,0,0]=4 4596 B11R0.40 CNC(=O)COCCOCCO 240690a_100102657272_106645077154 [0,1,0,0,0,0|3,0,0]=4 4597 B11R0.40 CNC(=O)COCCOCCO 34a_100000750040_100000692535 [0,1,0,0,0,0|3,0,0]=4 4598 B11R0.40 CNC(=O)CSCCCCC#N 62a_100000183359_100000211819 [0,1,0,0,0,0|2,0,1]=4 4599 B11R0.40 CNC(=O)CSCCCCC#N 62a_100011219923_100000183359 [0,1,0,0,0,0|2,0,1]=4 4600 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000139335_100000183359 [0,1,0,0,0,0|2,0,1]=4 4601 B11R0.40 CNC(=O)CSCCCCC=O 62a_100000183359_100000139335 [0,1,0,0,0,0|2,0,1]=4 4602 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,1,0,0,0,0|2,0,0]=3 4603 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,1,0,0,0,0|2,0,0]=3 4604 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,0,0,0,0|2,0,0]=3 4605 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,0,0,0,0|2,0,0]=3 4606 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,1,0,0,0,0|2,0,0]=3 4607 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,1,0,0,0,0|2,0,0]=3 4608 B11R0.40 CNC(=O)CSCCOCCO 62a_100000183359_100011215305 [0,1,0,0,0,0|3,0,0]=4 4609 B11R0.40 CNC(=O)CSCCOCCO 62a_100011215305_100000183359 [0,1,0,0,0,0|3,0,0]=4 4610 B11R0.40 CNC(=O)CSCOCCOC 62a_100000183359_100000231047 [0,1,0,0,0,0|3,0,0]=4 4611 B11R0.40 CNC(=O)CSCOCCOC 62a_100000231047_100000183359 [0,1,0,0,0,0|3,0,0]=4 4612 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100000061152_106832991635 [0,1,0,0,0,0|2,0,1]=4 4613 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100102657272_100000061152 [0,1,0,0,0,0|2,0,1]=4 4614 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100000061152_100102657272 [0,1,0,0,0,0|2,0,1]=4 4615 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100102657272_100000061152 [0,1,0,0,0,0|2,0,1]=4 4616 B11R0.40 CNC(=O)NCCCCCC#N 512a_100000061152_100102657272 [0,1,0,0,0,0|2,0,1]=4 4617 B11R0.40 CNC(=O)NCCCCCC#N 512a_106832991638_100000061152 [0,1,0,0,0,0|2,0,1]=4 4618 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,0,0,0,0|2,0,0]=3 4619 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,0,0,0,0|2,0,0]=3 4620 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,0,0,0,0|2,0,0]=3 4621 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,0,0,0,0|2,0,0]=3 4622 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,0,0,0,0|2,0,0]=3 4623 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,1,0,0,0,0|2,0,0]=3 4624 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,1,0,0,0,0|2,0,0]=3 4625 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,1,0,0,0,0|2,0,0]=3 4626 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,1,0,0,0,0|2,0,0]=3 4627 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,1,0,0,0,0|2,0,0]=3 4628 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,1,0,0,0,0|2,0,0]=3 4629 B11R0.40 CNC(=O)NCCNCCCF 34a_100015205895_100011934791 [0,1,0,0,0,0|3,0,0]=4 4630 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,1,0,0,0,0|3,0,0]=4 4631 B11R0.40 CNC(=O)NCCNCCOC 34a_100015205895_100011201679 [0,1,0,0,0,0|3,0,0]=4 4632 B11R0.40 CNC(=O)NCCNCCSC 34a_100015205895_100000212216 [0,1,0,0,0,0|3,0,0]=4 4633 B11R0.40 CNC(=O)NCCOCCOC 2708a_100000745349_106832991635 [0,1,0,0,0,0|3,0,0]=4 4634 B11R0.40 CNC(=O)NCCOCCOC 2708a_100102657272_100000745349 [0,1,0,0,0,0|3,0,0]=4 4635 B11R0.40 CNC(=O)NCCOCCOC 273464a_100000745349_100102657272 [0,1,0,0,0,0|3,0,0]=4 4636 B11R0.40 CNC(=O)NCCOCCOC 273464a_100102657272_100000745349 [0,1,0,0,0,0|3,0,0]=4 4637 B11R0.40 CNC(=O)NCCOCCOC 512a_100000745349_100102657272 [0,1,0,0,0,0|3,0,0]=4 4638 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,1,0,0,0,0|3,0,0]=4 4639 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,1,0,0,0,0|3,0,0]=4 4640 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,1,0,0,0,0|3,0,0]=4 4641 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,1,0,0,0,0|3,0,0]=4 4642 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,1,0,0,0,0|3,0,0]=4 4643 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,1,0,0,0,0|3,0,0]=4 4644 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,1,0,0,0,0|3,0,0]=4 4645 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,1,0,0,0,0|3,0,0]=4 4646 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,1,0,0,0,0|3,0,0]=4 4647 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,1,0,0,0,0|3,0,0]=4 4648 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,1,0,0,0,0|3,0,0]=4 4649 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,1,0,0,0,0|3,0,0]=4 4650 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,1,0,0,0,0|3,0,0]=4 4651 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,1,0,0,0,0|3,0,0]=4 4652 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,1,0,0,0,0|3,0,0]=4 4653 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,1,0,0,0,0|3,0,0]=4 4654 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,0,0,0,0|1,0,0]=2 4655 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,0,0,0,0|1,0,0]=2 4656 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,0,0,0,0|1,0,0]=2 4657 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,1,0,0,0,0|2,0,0]=3 4658 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,1,0,0,0,0|2,0,0]=3 4659 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,0,0,0,0|1,0,0]=2 4660 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,0,0,0,0|1,0,0]=2 4661 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|1,0,0]=2 4662 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|1,0,0]=2 4663 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|1,0,0]=2 4664 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|1,0,0]=2 4665 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,1,0,0,0,0|2,0,0]=3 4666 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,1,0,0,0,0|2,0,0]=3 4667 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,1,0,0,0,0|2,0,0]=3 4668 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,1,0,0,0,0|2,0,0]=3 4669 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,1,0,0,0,0|2,0,0]=3 4670 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,0,0,0,0|2,0,0]=3 4671 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,0,0,0,0|2,0,0]=3 4672 B11R0.40 COC(=O)CCCCOCC#N 7a_100000059025_100011215382 [0,1,0,0,0,0|2,0,1]=4 4673 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,1,0,0,0,0|2,0,1]=4 4674 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,1,0,0,0,0|2,0,1]=4 4675 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,1,0,0,0,0|2,0,0]=3 4676 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,1,0,0,0,0|2,0,0]=3 4677 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,1,0,0,0,0|2,0,0]=3 4678 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,1,0,0,0,0|2,0,0]=3 4679 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,0,0,0,0|2,0,0]=3 4680 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,0,0,0,0|2,0,0]=3 4681 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,1,0,0,0,0|2,0,0]=3 4682 B11R0.40 COC(=O)CCCCSCC#N 62a_100000204269_100011215382 [0,1,0,0,0,0|2,0,1]=4 4683 B11R0.40 COC(=O)CCCCSCC#N 62a_100011215382_100000204269 [0,1,0,0,0,0|2,0,1]=4 4684 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,1,0,0,0,0|2,0,1]=4 4685 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,1,0,0,0,0|2,0,1]=4 4686 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,1,0,0,0,0|2,0,0]=3 4687 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,1,0,0,0,0|2,0,0]=3 4688 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,0,0,0,0|2,0,0]=3 4689 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,0,0,0,0|2,0,0]=3 4690 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,1,0,0,0,0|2,0,0]=3 4691 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,1,0,0,0,0|2,0,0]=3 4692 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,1,0,0,0,0|2,0,0]=3 4693 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,1,0,0,0,0|2,0,0]=3 4694 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,1,0,0,0,0|2,0,0]=3 4695 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,1,0,0,0,0|2,0,0]=3 4696 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,1,0,0,0,0|2,0,0]=3 4697 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,1,0,0,0,0|2,0,0]=3 4698 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,0,0,0,0|2,0,0]=3 4699 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [0,1,0,0,0,0|3,0,0]=4 4700 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,1,0,0,0,0|2,0,0]=3 4701 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,1,0,0,0,0|2,0,0]=3 4702 B11R0.40 COC(=O)CCCSCCC#N 62a_100011215226_100011218270 [0,1,0,0,0,0|2,0,1]=4 4703 B11R0.40 COC(=O)CCCSCCC#N 62a_100011218270_100011215226 [0,1,0,0,0,0|2,0,1]=4 4704 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,1,0,0,0,0|2,0,0]=3 4705 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,1,0,0,0,0|2,0,0]=3 4706 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,0,0,0,0|2,0,0]=3 4707 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,0,0,0,0|2,0,0]=3 4708 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,1,0,0,0,0|2,0,0]=3 4709 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,1,0,0,0,0|2,0,0]=3 4710 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,0,0,0,0|2,0,0]=3 4711 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,0,0,0,0|2,0,0]=3 4712 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,1,0,0,0,0|2,0,0]=3 4713 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,1,0,0,0,0|2,0,0]=3 4714 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,1,0,0,0,0|2,0,0]=3 4715 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,1,0,0,0,0|2,0,0]=3 4716 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,1,0,0,0,0|2,0,0]=3 4717 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,1,0,0,0,0|2,0,0]=3 4718 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,1,0,0,0,0|2,0,0]=3 4719 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,1,0,0,0,0|2,0,0]=3 4720 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,1,0,0,0,0|2,0,0]=3 4721 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,1,0,0,0,0|2,0,0]=3 4722 B11R0.40 COC(=O)CCSCCCC#N 62a_100000204255_100000687738 [0,1,0,0,0,0|2,0,1]=4 4723 B11R0.40 COC(=O)CCSCCCC#N 62a_100000687738_100000204255 [0,1,0,0,0,0|2,0,1]=4 4724 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,1,0,0,0,0|2,0,1]=4 4725 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,1,0,0,0,0|2,0,1]=4 4726 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,1,0,0,0,0|2,0,0]=3 4727 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,1,0,0,0,0|2,0,0]=3 4728 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,0,0,0,0|2,0,0]=3 4729 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,0,0,0,0|2,0,0]=3 4730 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,0,0,0,0|2,0,0]=3 4731 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,0,0,0,0|2,0,0]=3 4732 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,1,0,0,0,0|3,0,0]=4 4733 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,1,0,0,0,0|3,0,0]=4 4734 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [0,1,0,0,0,0|3,0,0]=4 4735 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,0,0,0,0|2,0,0]=3 4736 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,0,0,0,0|2,0,0]=3 4737 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,0,0,0,0|2,0,0]=3 4738 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,0,0,0,0|2,0,0]=3 4739 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,0,0,0,0|2,0,0]=3 4740 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,0,0,0,0|2,0,0]=3 4741 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,0,0,0,0|2,0,0]=3 4742 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,1,0,0,0,0|2,0,0]=3 4743 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,1,0,0,0,0|2,0,0]=3 4744 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [0,1,0,0,0,0|3,0,0]=4 4745 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,1,0,0,0,0|3,0,0]=4 4746 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,1,0,0,0,0|3,0,0]=4 4747 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,1,0,0,0,0|3,0,0]=4 4748 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,1,0,0,0,0|3,0,0]=4 4749 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,1,0,0,0,0|3,0,0]=4 4750 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,1,0,0,0,0|3,0,0]=4 4751 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,1,0,0,0,0|3,0,0]=4 4752 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,1,0,0,0,0|3,0,0]=4 4753 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,1,0,0,0,0|3,0,0]=4 4754 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,1,0,0,0,0|3,0,0]=4 4755 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,1,0,0,0,0|3,0,0]=4 4756 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,1,0,0,0,0|3,0,0]=4 4757 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,1,0,0,0,0|3,0,0]=4 4758 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [0,1,0,0,0,0|3,0,0]=4 4759 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [0,1,0,0,0,0|3,0,0]=4 4760 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,1,0,0,0,0|3,0,0]=4 4761 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,1,0,0,0,0|3,0,0]=4 4762 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [0,1,0,0,0,0|3,0,0]=4 4763 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [0,1,0,0,0,0|3,0,0]=4 4764 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,1,0,0,0,0|2,0,1]=4 4765 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,1,0,0,0,0|2,0,1]=4 4766 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,1,0,0,0,0|2,0,1]=4 4767 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,1,0,0,0,0|2,0,1]=4 4768 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,1,0,0,0,0|2,0,0]=3 4769 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,1,0,0,0,0|2,0,0]=3 4770 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,0,0,0,0|2,0,0]=3 4771 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,0,0,0,0|2,0,0]=3 4772 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,1,0,0,0,0|3,0,0]=4 4773 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,1,0,0,0,0|3,0,0]=4 4774 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,1,0,0,0,0|3,0,0]=4 4775 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,1,0,0,0,0|3,0,0]=4 4776 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,1,0,0,0,0|3,0,0]=4 4777 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,1,0,0,0,0|3,0,0]=4 4778 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,1,0,0,0,0|3,0,0]=4 4779 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,1,0,0,0,0|3,0,0]=4 4780 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,1,0,0,0,0|3,0,0]=4 4781 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,1,0,0,0,0|3,0,0]=4 4782 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,0,0,0,0|1,0,0]=2 4783 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,0,0,0,0|1,0,0]=2 4784 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,0,0,0,0|1,0,0]=2 4785 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,0,0,0,0|1,0,0]=2 4786 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,0,0,0,0|2,0,0]=3 4787 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,0,0,0,0|2,0,0]=3 4788 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,1,0,0,0,0|2,0,0]=3 4789 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,1,0,0,0,0|2,0,0]=3 4790 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,1,0,0,0,0|2,0,0]=3 4791 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,1,0,0,0,0|2,0,0]=3 4792 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,1,0,0,0,0|2,0,0]=3 4793 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,1,0,0,0,0|2,0,0]=3 4794 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,1,0,0,0,0|2,0,0]=3 4795 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,1,0,0,0,0|3,0,0]=4 4796 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,1,0,0,0,0|2,0,0]=3 4797 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,1,0,0,0,0|2,0,0]=3 4798 B11R0.40 COCCOCCCC(=O)NN 34a_100000211488_100011201679 [0,1,0,0,0,0|3,0,0]=4 4799 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,1,0,0,0,0|2,0,0]=3 4800 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,1,0,0,0,0|3,0,0]=4 4801 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,1,0,0,0,0|3,0,0]=4 4802 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,1,0,0,0,0|3,0,0]=4 4803 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,1,0,0,0,0|3,0,0]=4 4804 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [0,1,0,0,0,0|3,0,0]=4 4805 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [0,1,0,0,0,0|3,0,0]=4 4806 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,1,0,0,0,0|2,0,0]=3 4807 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,1,0,0,0,0|2,0,0]=3 4808 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,1,0,0,0,0|2,0,0]=3 4809 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,1,0,0,0,0|2,0,0]=3 4810 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [0,1,0,0,0,0|3,0,0]=4 4811 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [0,1,0,0,0,0|3,0,0]=4 4812 B11R0.40 CSCCOCCCC(=O)NN 34a_100000211488_100000212216 [0,1,0,0,0,0|3,0,0]=4 4813 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,1,0,0,0,0|1,0,1]=3 4814 B11R0.40 N#CCCCCCNC(=O)CO 240690a_100000061152_100000210174 [0,1,0,0,0,0|2,0,1]=4 4815 B11R0.40 N#CCCCCCNC(=O)CO 527a_100000061152_100000210174 [0,1,0,0,0,0|2,0,1]=4 4816 B11R0.40 NNC(=O)CCCOCCCF 34a_100000211488_100011934791 [0,1,0,0,0,0|3,0,0]=4 4817 B11R0.40 NNC(=O)CCCOCCCO 34a_100000211488_100000230001 [0,1,0,0,0,0|3,0,0]=4 4818 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|1,0,0]=2 4819 B11R0.40 O=C(CF)COCCOCCO 1458a_106645077154_100015361967 [0,1,0,0,0,0|3,0,0]=4 4820 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|1,0,0]=2 4821 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,0,0,0,0|2,0,0]=3 4822 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,0,0,0,0|2,0,0]=3 4823 B11R0.40 [N-]=[N+]=NCCCCCC(=O)CF 1458a_100009870042_100015361967 [0,1,0,0,0,0|3,0,0]=4 4824 B11R0.42 C#CCCCCCC(=O)C(=C)C 1458a_100000185857_100012094781 [0,1,0,0,0,0|0,0,3]=4 4825 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000210198_100012094781 [0,1,0,0,0,0|0,0,2]=3 4826 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000694772_100000210206 [0,1,0,0,0,0|0,0,2]=3 4827 B11R0.42 C#CCCCCCC(=O)C(C)F 1458a_100000062450_100012094781 [0,1,0,0,0,0|0,0,2]=3 4828 B11R0.42 C#CCCCCCC(=O)C(O)O 1458a_100000233687_100012094781 [0,1,0,0,0,0|1,0,2]=4 4829 B11R0.42 C#CCCCCCC(=O)N(C)C 11a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 4830 B11R0.42 C#CCCCCCC(=O)N(C)C 1626a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 4831 B11R0.42 C#CCCCCCC(=O)N(C)C 240690a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 4832 B11R0.42 C#CCCCCCC(=O)N(C)C 527a_100102631434_100000694772 [0,1,0,0,0,0|1,0,2]=4 4833 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [0,1,0,0,0,0|0,0,2]=3 4834 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [0,1,0,0,0,0|0,0,2]=3 4835 B11R0.42 C#CCCCCNC(=O)C(C)C 11a_100000706060_100000210198 [0,1,0,0,0,0|1,0,2]=4 4836 B11R0.42 C#CCCCCNC(=O)C(C)C 1626a_100000706060_100000210198 [0,1,0,0,0,0|1,0,2]=4 4837 B11R0.42 C#CCCCCNC(=O)C(C)C 240690a_100000706060_100000210198 [0,1,0,0,0,0|1,0,2]=4 4838 B11R0.42 C#CCCCCNC(=O)C(C)C 527a_100000706060_100000210198 [0,1,0,0,0,0|1,0,2]=4 4839 B11R0.42 C#CCCCCNC(=O)C(C)F 11a_100000706060_100000062450 [0,1,0,0,0,0|1,0,2]=4 4840 B11R0.42 C#CCCCCNC(=O)C(C)F 1626a_100000706060_100000062450 [0,1,0,0,0,0|1,0,2]=4 4841 B11R0.42 C#CCCCCNC(=O)C(C)F 240690a_100000706060_100000062450 [0,1,0,0,0,0|1,0,2]=4 4842 B11R0.42 C#CCCCCNC(=O)C(C)F 527a_100000706060_100000062450 [0,1,0,0,0,0|1,0,2]=4 4843 B11R0.42 C#CCCCCNC(=O)[C@@H](C)O 240690a_100000706060_100000717761 [0,1,0,0,0,0|1,0,2]=4 4844 B11R0.42 C#CCCCCNC(=O)[C@H](C)O 1626a_100000706060_217856618621 [0,1,0,0,0,0|1,0,2]=4 4845 B11R0.42 C#CCCCCNC(=O)[C@H](C)O 240690a_100000706060_217856618621 [0,1,0,0,0,0|1,0,2]=4 4846 B11R0.42 C#CCCCNCC(=O)C(C)C 34a_100000718082_100000753385 [0,1,0,0,0,0|1,0,2]=4 4847 B11R0.42 C#CCCCOCC(=O)C(C)C 34a_100000215630_100000753385 [0,1,0,0,0,0|1,0,2]=4 4848 B11R0.42 C#CCCCOCC(=O)C(C)C 7a_100000215630_100000753385 [0,1,0,0,0,0|1,0,2]=4 4849 B11R0.42 C#CCCCSCC(=O)C(C)C 62a_100000753385_100011215417 [0,1,0,0,0,0|1,0,2]=4 4850 B11R0.42 C#CCCCSCC(=O)C(C)C 62a_100011215417_100000753385 [0,1,0,0,0,0|1,0,2]=4 4851 B11R0.42 C/C=C/CCOCC(=O)C(C)C 34a_100016278192_100000753385 [0,1,0,0,0,0|1,0,2]=4 4852 B11R0.42 C=C(Br)C(=O)NCCCCCC 11a_100000210581_100009813364 [0,1,0,0,0,0|1,0,2]=4 4853 B11R0.42 C=C(Br)C(=O)NCCCCCC 1626a_100000210581_100009813364 [0,1,0,0,0,0|1,0,2]=4 4854 B11R0.42 C=C(C)C(=O)CCCCCC#N 1458a_100000185857_100009813376 [0,1,0,0,0,0|1,0,2]=4 4855 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|0,0,1]=2 4856 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,1,0,0,0,0|1,0,1]=3 4857 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,1,0,0,0,0|1,0,1]=3 4858 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,1,0,0,0,0|1,0,1]=3 4859 B11R0.42 C=C(C)C(=O)CCOCCOC 1458a_100000185857_100000695917 [0,1,0,0,0,0|2,0,1]=4 4860 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,1,0,0,0,0|1,0,1]=3 4861 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,1,0,0,0,0|1,0,1]=3 4862 B11R0.42 C=C(C)C(=O)NCCCNCC 2230a_100016987756_100000210202 [0,1,0,0,0,0|2,0,1]=4 4863 B11R0.42 C=C(C)C(=O)NCCCOCC 11a_100000210961_100000185857 [0,1,0,0,0,0|2,0,1]=4 4864 B11R0.42 C=C(C)C(=O)NCCCOCC 1626a_100000210961_100000185857 [0,1,0,0,0,0|2,0,1]=4 4865 B11R0.42 C=C(C)C(=O)NCCNCCC 2230a_100102636416_100000210303 [0,1,0,0,0,0|2,0,1]=4 4866 B11R0.42 C=C(C)C(=O)NCCOCCC 1626a_100161115042_100000185857 [0,1,0,0,0,0|2,0,1]=4 4867 B11R0.42 C=C(C)C(=O)NCCSCCC 11a_100020603323_100000185857 [0,1,0,0,0,0|2,0,1]=4 4868 B11R0.42 C=C(C)C(=O)NNCCCCC 22a_100000694160_100000185857 [0,1,0,0,0,0|2,0,1]=4 4869 B11R0.42 C=C(C)C(=O)OCCCCOC 7a_100000065474_200000210301 [0,1,0,0,0,0|2,0,1]=4 4870 B11R0.42 C=C(C)C(=O)OCCCCO[13CH3] 7a_100000065474_200025704644 [0,1,0,0,0,0|2,0,1]=4 4871 B11R0.42 C=C(C)C(=O)OCCCOCC 7a_100000032641_100000210202 [0,1,0,0,0,0|2,0,1]=4 4872 B11R0.42 C=C(C)C(=O)OCCOCCC 34a_100000210258_100009816335 [0,1,0,0,0,0|2,0,1]=4 4873 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100000210303_100009816335 [0,1,0,0,0,0|2,0,1]=4 4874 B11R0.42 C=C(C)C(=O)OCCSCCC 62a_100009816335_100000210303 [0,1,0,0,0,0|2,0,1]=4 4875 B11R0.42 C=C(Cl)C(=O)NCCCCCC 11a_100000210581_100000039160 [0,1,0,0,0,0|1,0,2]=4 4876 B11R0.42 C=C(Cl)C(=O)NCCCCCC 1626a_100000210581_100000039160 [0,1,0,0,0,0|1,0,2]=4 4877 B11R0.42 C=C(F)C(=O)NCCCCCC 11a_100000210581_100000036797 [0,1,0,0,0,0|1,0,2]=4 4878 B11R0.42 C=C(F)C(=O)NCCCCCC 1626a_100000210581_100000036797 [0,1,0,0,0,0|1,0,2]=4 4879 B11R0.42 C=CCCCCCC(=O)C(=C)C 1458a_100000185857_100000700193 [0,1,0,0,0,0|0,0,3]=4 4880 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [0,1,0,0,0,0|0,0,2]=3 4881 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [0,1,0,0,0,0|0,0,2]=3 4882 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [0,1,0,0,0,0|0,0,2]=3 4883 B11R0.42 C=CCCCCCC(=O)C(O)O 1458a_100000233687_100000700193 [0,1,0,0,0,0|1,0,2]=4 4884 B11R0.42 C=CCCCCCC(=O)N(C)C 11a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 4885 B11R0.42 C=CCCCCCC(=O)N(C)C 1626a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 4886 B11R0.42 C=CCCCCCC(=O)N(C)C 240690a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 4887 B11R0.42 C=CCCCCCC(=O)N(C)C 527a_100102631434_100011934241 [0,1,0,0,0,0|1,0,2]=4 4888 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [0,1,0,0,0,0|0,0,2]=3 4889 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [0,1,0,0,0,0|0,0,2]=3 4890 B11R0.42 C=CCCCCNC(=O)C(C)C 11a_100000703577_100000210198 [0,1,0,0,0,0|1,0,2]=4 4891 B11R0.42 C=CCCCCNC(=O)C(C)C 1626a_100000703577_100000210198 [0,1,0,0,0,0|1,0,2]=4 4892 B11R0.42 C=CCCCCNC(=O)C(C)C 240690a_100000703577_100000210198 [0,1,0,0,0,0|1,0,2]=4 4893 B11R0.42 C=CCCCCNC(=O)C(C)C 527a_100000703577_100000210198 [0,1,0,0,0,0|1,0,2]=4 4894 B11R0.42 C=CCCCCNC(=O)C(C)F 11a_100000703577_100000062450 [0,1,0,0,0,0|1,0,2]=4 4895 B11R0.42 C=CCCCCNC(=O)C(C)F 1626a_100000703577_100000062450 [0,1,0,0,0,0|1,0,2]=4 4896 B11R0.42 C=CCCCCNC(=O)C(C)F 240690a_100000703577_100000062450 [0,1,0,0,0,0|1,0,2]=4 4897 B11R0.42 C=CCCCCNC(=O)C(C)F 527a_100000703577_100000062450 [0,1,0,0,0,0|1,0,2]=4 4898 B11R0.42 C=CCCCCNC(=O)[C@@H](C)O 240690a_100000703577_100000717761 [0,1,0,0,0,0|1,0,2]=4 4899 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 1626a_100000703577_217856618621 [0,1,0,0,0,0|1,0,2]=4 4900 B11R0.42 C=CCCCCNC(=O)[C@H](C)O 240690a_100000703577_217856618621 [0,1,0,0,0,0|1,0,2]=4 4901 B11R0.42 C=CCCCNCC(=O)C(C)C 2230a_100000700776_100000753385 [0,1,0,0,0,0|1,0,2]=4 4902 B11R0.42 C=CCCCNCC(=O)C(C)C 34a_100000700776_100000753385 [0,1,0,0,0,0|1,0,2]=4 4903 B11R0.42 C=CCCCOCC(=O)C(C)C 34a_100000758997_100000753385 [0,1,0,0,0,0|1,0,2]=4 4904 B11R0.42 C=CCCCOCC(=O)C(C)C 7a_100000758997_100000753385 [0,1,0,0,0,0|1,0,2]=4 4905 B11R0.42 C=CCCCSCC(=O)C(C)C 62a_100000753385_100000757094 [0,1,0,0,0,0|1,0,2]=4 4906 B11R0.42 C=CCCCSCC(=O)C(C)C 62a_100011713584_100000753385 [0,1,0,0,0,0|1,0,2]=4 4907 B11R0.42 CC#CCCOCC(=O)C(C)C 34a_100000750427_100000753385 [0,1,0,0,0,0|1,0,2]=4 4908 B11R0.42 CC(=O)C(=O)CNCCCCO 34a_100000750430_100011261029 [0,1,0,0,0,0|2,0,1]=4 4909 B11R0.42 CC(=O)C(=O)COCCCCBr 34a_100011216708_100011261029 [0,1,0,0,0,0|2,0,1]=4 4910 B11R0.42 CC(=O)C(=O)COCCCCCl 34a_100000210776_100011261029 [0,1,0,0,0,0|2,0,1]=4 4911 B11R0.42 CC(=O)C(=O)COCCCCF 34a_100011995726_100011261029 [0,1,0,0,0,0|2,0,1]=4 4912 B11R0.42 CC(=O)C(=O)COCCCCI 34a_200012148704_100011261029 [0,1,0,0,0,0|2,0,1]=4 4913 B11R0.42 CC(=O)C(=O)COCCCCN 34a_100000750430_100011261029 [0,1,0,0,0,0|2,0,1]=4 4914 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100000729493_100011261029 [0,1,0,0,0,0|2,0,1]=4 4915 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100011261029_100000729493 [0,1,0,0,0,0|2,0,1]=4 4916 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100000210776_100011261029 [0,1,0,0,0,0|2,0,1]=4 4917 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100011261029_100000210776 [0,1,0,0,0,0|2,0,1]=4 4918 B11R0.42 CC(C)C(=O)CCCCCC#N 1458a_100000210198_100009813376 [0,1,0,0,0,0|1,0,1]=3 4919 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [0,1,0,0,0,0|1,0,0]=2 4920 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [0,1,0,0,0,0|1,0,0]=2 4921 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [0,1,0,0,0,0|1,0,0]=2 4922 B11R0.42 CC(C)C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210206 [0,1,0,0,0,0|3,0,0]=4 4923 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [0,1,0,0,0,0|2,0,0]=3 4924 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [0,1,0,0,0,0|2,0,0]=3 4925 B11R0.42 CC(C)C(=O)COCCCCBr 34a_100011216708_100000753385 [0,1,0,0,0,0|2,0,0]=3 4926 B11R0.42 CC(C)C(=O)COCCCCCl 34a_100000210776_100000753385 [0,1,0,0,0,0|2,0,0]=3 4927 B11R0.42 CC(C)C(=O)COCCCCCl 7a_100000210776_100000753385 [0,1,0,0,0,0|2,0,0]=3 4928 B11R0.42 CC(C)C(=O)COCCCCF 34a_100011995726_100000753385 [0,1,0,0,0,0|2,0,0]=3 4929 B11R0.42 CC(C)C(=O)COCCCCF 7a_100011995726_100000753385 [0,1,0,0,0,0|2,0,0]=3 4930 B11R0.42 CC(C)C(=O)COCCCCI 34a_200012148704_100000753385 [0,1,0,0,0,0|2,0,0]=3 4931 B11R0.42 CC(C)C(=O)COCCCCN 34a_100000750430_100000753385 [0,1,0,0,0,0|2,0,0]=3 4932 B11R0.42 CC(C)C(=O)CSCCCC#N 62a_100000687738_100000753385 [0,1,0,0,0,0|2,0,1]=4 4933 B11R0.42 CC(C)C(=O)CSCCCC#N 62a_100000753385_100000687738 [0,1,0,0,0,0|2,0,1]=4 4934 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_100000753385_200011292268 [0,1,0,0,0,0|2,0,1]=4 4935 B11R0.42 CC(C)C(=O)CSCCCC=O 62a_200011292268_100000753385 [0,1,0,0,0,0|2,0,1]=4 4936 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000729493_100000753385 [0,1,0,0,0,0|2,0,0]=3 4937 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000753385_100000729493 [0,1,0,0,0,0|2,0,0]=3 4938 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [0,1,0,0,0,0|2,0,0]=3 4939 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [0,1,0,0,0,0|2,0,0]=3 4940 B11R0.42 CC(C)C(=O)NCCCCC#N 11a_100000751965_100000210198 [0,1,0,0,0,0|2,0,1]=4 4941 B11R0.42 CC(C)C(=O)NCCCCC#N 1626a_100000751965_100000210198 [0,1,0,0,0,0|2,0,1]=4 4942 B11R0.42 CC(C)C(=O)NCCCCC#N 240690a_100000751965_100000210198 [0,1,0,0,0,0|2,0,1]=4 4943 B11R0.42 CC(C)C(=O)NCCCCC#N 527a_100000751965_100000210198 [0,1,0,0,0,0|2,0,1]=4 4944 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [0,1,0,0,0,0|2,0,0]=3 4945 B11R0.42 CC(C)C(=O)NCCNCCF 2230a_100000752568_100011217306 [0,1,0,0,0,0|3,0,0]=4 4946 B11R0.42 CC(C)C(=O)NCCNCCF 34a_100000752568_100011217306 [0,1,0,0,0,0|3,0,0]=4 4947 B11R0.42 CC(C)C(=O)NCCNCCO 2230a_100000752568_100000211926 [0,1,0,0,0,0|3,0,0]=4 4948 B11R0.42 CC(C)C(=O)NCCNCCO 34a_100000752568_100000211926 [0,1,0,0,0,0|3,0,0]=4 4949 B11R0.42 CC(C)C(=O)NCCOCCO 240690a_100000211614_100000210198 [0,1,0,0,0,0|3,0,0]=4 4950 B11R0.42 CC(C)C(=O)NCCSCCO 240690a_100011219999_100000210198 [0,1,0,0,0,0|3,0,0]=4 4951 B11R0.42 CC(C)C(=O)NCCSCCO 527a_100011219999_100000210198 [0,1,0,0,0,0|3,0,0]=4 4952 B11R0.42 CC(C)C(=O)OCSCCCF 62a_100000139345_100011934791 [0,1,0,0,0,0|3,0,0]=4 4953 B11R0.42 CC(C)C(=O)OCSCCCF 62a_100011934791_100000139345 [0,1,0,0,0,0|3,0,0]=4 4954 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100000139345_100011215043 [0,1,0,0,0,0|3,0,0]=4 4955 B11R0.42 CC(C)C(=O)OCSCCCO 62a_100011215043_100000139345 [0,1,0,0,0,0|3,0,0]=4 4956 B11R0.42 CC(C)N(C)CCCCCCF 269982a_200000211004_100015922095 [0,1,0,0,0,0|3,0,0]=4 4957 B11R0.42 CC(C)N(C)CCCCCCO 269982a_200000211004_100000766143 [0,1,0,0,0,0|3,0,0]=4 4958 B11R0.42 CC(F)C(=O)CCCCCC#N 1458a_100000062450_100009813376 [0,1,0,0,0,0|1,0,1]=3 4959 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [0,1,0,0,0,0|1,0,0]=2 4960 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [0,1,0,0,0,0|1,0,0]=2 4961 B11R0.42 CC(F)C(=O)NCCCCC#N 11a_100000751965_100000062450 [0,1,0,0,0,0|2,0,1]=4 4962 B11R0.42 CC(F)C(=O)NCCCCC#N 1626a_100000751965_100000062450 [0,1,0,0,0,0|2,0,1]=4 4963 B11R0.42 CC(F)C(=O)NCCCCC#N 240690a_100000751965_100000062450 [0,1,0,0,0,0|2,0,1]=4 4964 B11R0.42 CC(F)C(=O)NCCCCC#N 527a_100000751965_100000062450 [0,1,0,0,0,0|2,0,1]=4 4965 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [0,1,0,0,0,0|2,0,0]=3 4966 B11R0.42 CC(F)C(=O)NCCOCCO 240690a_100000211614_100000062450 [0,1,0,0,0,0|3,0,0]=4 4967 B11R0.42 CC(F)C(=O)NCCSCCO 240690a_100011219999_100000062450 [0,1,0,0,0,0|3,0,0]=4 4968 B11R0.42 CC(F)C(=O)NCCSCCO 527a_100011219999_100000062450 [0,1,0,0,0,0|3,0,0]=4 4969 B11R0.42 CC/C=C\COCC(=O)C(C)C 34a_100016268518_100000753385 [0,1,0,0,0,0|1,0,2]=4 4970 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100000753385_100103147603 [0,1,0,0,0,0|1,0,2]=4 4971 B11R0.42 CC/C=C\CSCC(=O)C(C)C 62a_100103147603_100000753385 [0,1,0,0,0,0|1,0,2]=4 4972 B11R0.42 CCC#CCOCC(=O)C(C)C 34a_100000032950_100000753385 [0,1,0,0,0,0|1,0,2]=4 4973 B11R0.42 CCC#CCSCC(=O)C(C)C 62a_100000753385_100009813939 [0,1,0,0,0,0|1,0,2]=4 4974 B11R0.42 CCC#CCSCC(=O)C(C)C 62a_100009813939_100000753385 [0,1,0,0,0,0|1,0,2]=4 4975 B11R0.42 CCCC/C=C/CC(=O)C(C)C 1458a_200016282684_100000210206 [0,1,0,0,0,0|0,0,2]=3 4976 B11R0.42 CCCC/C=C/CC(=O)N(C)C 11a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 4977 B11R0.42 CCCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 4978 B11R0.42 CCCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 4979 B11R0.42 CCCC/C=C/CC(=O)N(C)C 527a_100102631434_200016282684 [0,1,0,0,0,0|1,0,2]=4 4980 B11R0.42 CCCCC=NNC(=O)C(C)C 4a_100000184118_100000210104 [0,1,0,0,0,0|2,0,1]=4 4981 B11R0.42 CCCCCC#CC(=O)C(C)C 1458a_100011215388_100000210206 [0,1,0,0,0,0|0,0,2]=3 4982 B11R0.42 CCCCCC#CC(=O)N(C)C 240690a_100102631434_100011215388 [0,1,0,0,0,0|1,0,2]=4 4983 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [0,1,0,0,0,0|0,0,2]=3 4984 B11R0.42 CCCCCC=CC(=O)N(C)C 11a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 4985 B11R0.42 CCCCCC=CC(=O)N(C)C 1626a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 4986 B11R0.42 CCCCCC=CC(=O)N(C)C 240690a_100102631434_100016263427 [0,1,0,0,0,0|1,0,2]=4 4987 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,0,0,0,0|0,0,0]=1 4988 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,0,0,0,0|0,0,0]=1 4989 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,0,0,0,0|0,0,0]=1 4990 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,1,0,0,0,0|1,0,0]=2 4991 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 4992 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 4993 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 4994 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,1,0,0,0,0|1,0,0]=2 4995 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|0,0,0]=1 4996 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|0,0,0]=1 4997 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|1,0,2]=4 4998 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,1,0,0,0,0|2,0,1]=4 4999 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,1,0,0,0,0|2,0,1]=4 5000 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,1,0,0,0,0|2,0,1]=4 5001 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 5002 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 5003 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,1,0,0,0,0|2,0,1]=4 5004 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,1,0,0,0,0|2,0,1]=4 5005 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,1,0,0,0,0|2,0,0]=3 5006 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,1,0,0,0,0|2,0,0]=3 5007 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,1,0,0,0,0|2,0,0]=3 5008 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,1,0,0,0,0|2,0,1]=4 5009 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [0,1,0,0,0,0|1,0,0]=2 5010 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [0,1,0,0,0,0|1,0,0]=2 5011 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [0,1,0,0,0,0|1,0,0]=2 5012 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [0,1,0,0,0,0|1,0,0]=2 5013 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [0,1,0,0,0,0|1,0,0]=2 5014 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [0,1,0,0,0,0|1,0,0]=2 5015 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [0,1,0,0,0,0|1,0,0]=2 5016 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [0,1,0,0,0,0|1,0,0]=2 5017 B11R0.42 CCCCCCNC(=O)C(F)F 11a_100000210581_100000210393 [0,1,0,0,0,0|2,0,0]=3 5018 B11R0.42 CCCCCCNC(=O)C(F)F 1626a_100000210581_100000210393 [0,1,0,0,0,0|2,0,0]=3 5019 B11R0.42 CCCCCCNC(=O)C(F)F 240690a_100000210581_100000210393 [0,1,0,0,0,0|2,0,0]=3 5020 B11R0.42 CCCCCCNC(=O)C(F)F 527a_100000210581_100000210393 [0,1,0,0,0,0|2,0,0]=3 5021 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [0,1,0,0,0,0|2,0,0]=3 5022 B11R0.42 CCCCCCNC(=O)N(C)C 2708a_100000210581_100102631434 [0,1,0,0,0,0|2,0,0]=3 5023 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [0,1,0,0,0,0|1,0,0]=2 5024 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [0,1,0,0,0,0|1,0,0]=2 5025 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [0,1,0,0,0,0|1,0,0]=2 5026 B11R0.42 CCCCCCNC(C)C(C)C 2230a_100000211541_100000210314 [0,1,0,0,0,0|2,0,1]=4 5027 B11R0.42 CCCCCCOC(C)C(C)C 7a_100000748068_100000210314 [0,1,0,0,0,0|2,0,1]=4 5028 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [0,1,0,0,0,0|1,0,0]=2 5029 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100000209983_100000185267 [0,1,0,0,0,0|2,0,0]=3 5030 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100015183351_100000210326 [0,1,0,0,0,0|2,0,0]=3 5031 B11R0.42 CCCCCNCC(O)C(C)C 2230a_100000759067_100000210326 [0,1,0,0,0,0|1,0,2]=4 5032 B11R0.42 CCCCCNCC(O)C(C)C 34a_100000759067_100000718602 [0,1,0,0,0,0|1,0,2]=4 5033 B11R0.42 CCCCCNN=C(C)C(C)C 4a_100000694160_100000211110 [0,1,0,0,0,0|3,0,0]=4 5034 B11R0.42 CCCCCNN=C(C)C(C)O 4a_100000694160_100000212229 [0,1,0,0,0,0|3,0,0]=4 5035 B11R0.42 CCCCCNNC(=O)C(C)C 22a_100000694160_100000210198 [0,1,0,0,0,0|2,0,0]=3 5036 B11R0.42 CCCCCNNC(=O)C(C)F 22a_100000694160_100000062450 [0,1,0,0,0,0|2,0,0]=3 5037 B11R0.42 CCCCCNNC(=O)C(F)F 22a_100000694160_100000210393 [0,1,0,0,0,0|3,0,0]=4 5038 B11R0.42 CCCCCNNC(=O)C(O)O 22a_100000694160_100000233687 [0,1,0,0,0,0|3,0,0]=4 5039 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [0,1,0,0,0,0|2,0,0]=3 5040 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [0,1,0,0,0,0|2,0,0]=3 5041 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,1,0,0,0,0|1,0,1]=3 5042 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [0,1,0,0,0,0|1,0,0]=2 5043 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [0,1,0,0,0,0|1,0,0]=2 5044 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [0,1,0,0,0,0|2,0,0]=3 5045 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [0,1,0,0,0,0|2,0,0]=3 5046 B11R0.42 CCCCCOC[C@H](N)C(C)C 34a_100011830312_100000718602 [0,1,0,0,0,0|2,0,1]=4 5047 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,1,0,0,0,0|1,0,1]=3 5048 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,1,0,0,0,0|1,0,1]=3 5049 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [0,1,0,0,0,0|1,0,0]=2 5050 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [0,1,0,0,0,0|1,0,0]=2 5051 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000210326_100000692301 [0,1,0,0,0,0|2,0,0]=3 5052 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000692301_100000210326 [0,1,0,0,0,0|2,0,0]=3 5053 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000102301_100000737620 [0,1,0,0,0,0|2,0,0]=3 5054 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000738053_100000210211 [0,1,0,0,0,0|2,0,0]=3 5055 B11R0.42 CCCCNCCC(=O)N(C)C 7a_106832991798_100000737620 [0,1,0,0,0,0|2,0,0]=3 5056 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [0,1,0,0,0,0|1,0,0]=2 5057 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [0,1,0,0,0,0|1,0,0]=2 5058 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [0,1,0,0,0,0|2,0,0]=3 5059 B11R0.42 CCCCOCCC(=O)N(C)C 34a_200000747469_100000210210 [0,1,0,0,0,0|2,0,0]=3 5060 B11R0.42 CCCCOCCC(=O)N(C)C 7a_100000210227_100000737620 [0,1,0,0,0,0|2,0,0]=3 5061 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [0,1,0,0,0,0|1,0,0]=2 5062 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [0,1,0,0,0,0|1,0,0]=2 5063 B11R0.42 CCCCOCCC(N)C(C)C 34a_100161115045_100000210210 [0,1,0,0,0,0|2,0,1]=4 5064 B11R0.42 CCCCOCCN(C)C(C)C 269982a_200000211004_100000743108 [0,1,0,0,0,0|3,0,0]=4 5065 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000210211_100000737620 [0,1,0,0,0,0|2,0,0]=3 5066 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000737620_100000210210 [0,1,0,0,0,0|2,0,0]=3 5067 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000139345_100000210210 [0,1,0,0,0,0|2,0,0]=3 5068 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000210211_100000139345 [0,1,0,0,0,0|2,0,0]=3 5069 B11R0.42 CCCNCCCC(=O)N(C)C 2230a_200000744827_100000210303 [0,1,0,0,0,0|2,0,0]=3 5070 B11R0.42 CCCNCCNC(=O)C(C)C 2230a_100000752568_100000210303 [0,1,0,0,0,0|2,0,0]=3 5071 B11R0.42 CCCNCCNC(=O)C(C)C 34a_100000752568_100000210303 [0,1,0,0,0,0|2,0,0]=3 5072 B11R0.42 CCCOCCNC(=O)C(C)C 1626a_100161115042_100000210198 [0,1,0,0,0,0|2,0,0]=3 5073 B11R0.42 CCCOCCNC(=O)C(C)C 240690a_100161115042_100000210198 [0,1,0,0,0,0|2,0,0]=3 5074 B11R0.42 CCCOCCNC(=O)C(C)C 527a_100161115042_100000210198 [0,1,0,0,0,0|2,0,0]=3 5075 B11R0.42 CCCOCCNC(=O)C(C)F 1626a_100161115042_100000062450 [0,1,0,0,0,0|2,0,0]=3 5076 B11R0.42 CCCOCCNC(=O)C(C)F 240690a_100161115042_100000062450 [0,1,0,0,0,0|2,0,0]=3 5077 B11R0.42 CCCOCCNC(=O)C(C)F 527a_100161115042_100000062450 [0,1,0,0,0,0|2,0,0]=3 5078 B11R0.42 CCCOCCNC(=O)C(F)F 1626a_100161115042_100000210393 [0,1,0,0,0,0|3,0,0]=4 5079 B11R0.42 CCCOCCNC(=O)C(F)F 240690a_100161115042_100000210393 [0,1,0,0,0,0|3,0,0]=4 5080 B11R0.42 CCCOCCNC(=O)C(F)F 527a_100161115042_100000210393 [0,1,0,0,0,0|3,0,0]=4 5081 B11R0.42 CCCOCCNC(=O)C(O)O 240690a_100161115042_100000233687 [0,1,0,0,0,0|3,0,0]=4 5082 B11R0.42 CCCOCCNC(=O)N(C)C 2708a_100161115042_100102631434 [0,1,0,0,0,0|3,0,0]=4 5083 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [0,1,0,0,0,0|2,0,0]=3 5084 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [0,1,0,0,0,0|2,0,0]=3 5085 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [0,1,0,0,0,0|2,0,0]=3 5086 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000210303_100000737642 [0,1,0,0,0,0|2,0,0]=3 5087 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000737642_100000210303 [0,1,0,0,0,0|2,0,0]=3 5088 B11R0.42 CCCSCCNC(=O)C(C)C 11a_100020603323_100000210198 [0,1,0,0,0,0|2,0,0]=3 5089 B11R0.42 CCCSCCNC(=O)C(C)C 240690a_100020603323_100000210198 [0,1,0,0,0,0|2,0,0]=3 5090 B11R0.42 CCCSCCNC(=O)C(C)C 527a_100020603323_100000210198 [0,1,0,0,0,0|2,0,0]=3 5091 B11R0.42 CCCSCCNC(=O)C(C)F 11a_100020603323_100000062450 [0,1,0,0,0,0|2,0,0]=3 5092 B11R0.42 CCCSCCNC(=O)C(C)F 240690a_100020603323_100000062450 [0,1,0,0,0,0|2,0,0]=3 5093 B11R0.42 CCCSCCNC(=O)C(C)F 527a_100020603323_100000062450 [0,1,0,0,0,0|2,0,0]=3 5094 B11R0.42 CCCSCCNC(=O)C(F)F 11a_100020603323_100000210393 [0,1,0,0,0,0|3,0,0]=4 5095 B11R0.42 CCCSCCNC(=O)C(F)F 240690a_100020603323_100000210393 [0,1,0,0,0,0|3,0,0]=4 5096 B11R0.42 CCCSCCNC(=O)C(F)F 527a_100020603323_100000210393 [0,1,0,0,0,0|3,0,0]=4 5097 B11R0.42 CCCSCCNC(=O)C(O)O 240690a_100020603323_100000233687 [0,1,0,0,0,0|3,0,0]=4 5098 B11R0.42 CCCSCCNC(=O)N(C)C 2708a_100020603323_100102631434 [0,1,0,0,0,0|3,0,0]=4 5099 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [0,1,0,0,0,0|2,0,0]=3 5100 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [0,1,0,0,0,0|2,0,0]=3 5101 B11R0.42 CCOCCCCC(=O)N(C)C 34a_100121572206_100000752486 [0,1,0,0,0,0|2,0,0]=3 5102 B11R0.42 CCOCCCNC(=O)C(C)C 11a_100000210961_100000210198 [0,1,0,0,0,0|2,0,0]=3 5103 B11R0.42 CCOCCCNC(=O)C(C)C 1626a_100000210961_100000210198 [0,1,0,0,0,0|2,0,0]=3 5104 B11R0.42 CCOCCCNC(=O)C(C)C 240690a_100000210961_100000210198 [0,1,0,0,0,0|2,0,0]=3 5105 B11R0.42 CCOCCCNC(=O)C(C)C 527a_100000210961_100000210198 [0,1,0,0,0,0|2,0,0]=3 5106 B11R0.42 CCOCCCNC(=O)C(C)F 11a_100000210961_100000062450 [0,1,0,0,0,0|2,0,0]=3 5107 B11R0.42 CCOCCCNC(=O)C(C)F 1626a_100000210961_100000062450 [0,1,0,0,0,0|2,0,0]=3 5108 B11R0.42 CCOCCCNC(=O)C(C)F 240690a_100000210961_100000062450 [0,1,0,0,0,0|2,0,0]=3 5109 B11R0.42 CCOCCCNC(=O)C(C)F 527a_100000210961_100000062450 [0,1,0,0,0,0|2,0,0]=3 5110 B11R0.42 CCOCCCNC(=O)C(F)F 11a_100000210961_100000210393 [0,1,0,0,0,0|3,0,0]=4 5111 B11R0.42 CCOCCCNC(=O)C(F)F 1626a_100000210961_100000210393 [0,1,0,0,0,0|3,0,0]=4 5112 B11R0.42 CCOCCCNC(=O)C(F)F 240690a_100000210961_100000210393 [0,1,0,0,0,0|3,0,0]=4 5113 B11R0.42 CCOCCCNC(=O)C(F)F 527a_100000210961_100000210393 [0,1,0,0,0,0|3,0,0]=4 5114 B11R0.42 CCOCCCNC(=O)C(O)O 240690a_100000210961_100000233687 [0,1,0,0,0,0|3,0,0]=4 5115 B11R0.42 CCOCCCNC(=O)N(C)C 2708a_100000210961_100102631434 [0,1,0,0,0,0|3,0,0]=4 5116 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [0,1,0,0,0,0|2,0,0]=3 5117 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [0,1,0,0,0,0|2,0,0]=3 5118 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [0,1,0,0,0,0|2,0,0]=3 5119 B11R0.42 CCOCCNCC(=O)C(=O)C 34a_102516460346_100011261029 [0,1,0,0,0,0|2,0,1]=4 5120 B11R0.42 CCOCCNCC(=O)C(C)C 2230a_102516460346_100000753385 [0,1,0,0,0,0|2,0,0]=3 5121 B11R0.42 CCOCCNCC(=O)C(C)C 34a_102516460346_100000753385 [0,1,0,0,0,0|2,0,0]=3 5122 B11R0.42 CCOCCNCC(=O)N(C)C 2230a_100015183351_100011215890 [0,1,0,0,0,0|3,0,0]=4 5123 B11R0.42 CCOCCNCC(=O)N(C)C 2230a_102516460346_100000185267 [0,1,0,0,0,0|3,0,0]=4 5124 B11R0.42 CCOCCNCC(=O)N(C)C 34a_102516460346_100000692301 [0,1,0,0,0,0|3,0,0]=4 5125 B11R0.42 CCOCCNNC(=O)C(C)C 22a_100000732670_100000210198 [0,1,0,0,0,0|3,0,0]=4 5126 B11R0.42 CCOCCNNC(=O)C(C)F 22a_100000732670_100000062450 [0,1,0,0,0,0|3,0,0]=4 5127 B11R0.42 CCOCCNNC(=O)[C@@H](C)O 22a_100000732670_100000717761 [0,1,0,0,0,0|3,0,0]=4 5128 B11R0.42 CCOCCNNC(=O)[C@H](C)O 22a_100000732670_217856618621 [0,1,0,0,0,0|3,0,0]=4 5129 B11R0.42 CCOCCOCC(=O)C(=O)C 34a_100000210136_100011261029 [0,1,0,0,0,0|2,0,1]=4 5130 B11R0.42 CCOCCOCC(=O)C(C)C 34a_100000210136_100000753385 [0,1,0,0,0,0|2,0,0]=3 5131 B11R0.42 CCOCCOCC(=O)C(C)C 7a_100000210136_100000753385 [0,1,0,0,0,0|2,0,0]=3 5132 B11R0.42 CCOCCOCC(=O)N(C)C 34a_100000210136_100000692301 [0,1,0,0,0,0|3,0,0]=4 5133 B11R0.42 CCOCCOCC(=O)N(C)C 7a_100000210136_100000692301 [0,1,0,0,0,0|3,0,0]=4 5134 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100000210147_100011261029 [0,1,0,0,0,0|2,0,1]=4 5135 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100011261029_100011215890 [0,1,0,0,0,0|2,0,1]=4 5136 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000210147_100000753385 [0,1,0,0,0,0|2,0,0]=3 5137 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000753385_100011215890 [0,1,0,0,0,0|2,0,0]=3 5138 B11R0.42 CCOCCSCC(=O)N(C)C 62a_100000210147_100000692301 [0,1,0,0,0,0|3,0,0]=4 5139 B11R0.42 CCOCCSCC(=O)N(C)C 62a_100000692301_100011215890 [0,1,0,0,0,0|3,0,0]=4 5140 B11R0.42 CCOCSCCC(=O)N(C)C 62a_100000737620_100000739092 [0,1,0,0,0,0|3,0,0]=4 5141 B11R0.42 CCOCSCCC(=O)N(C)C 62a_100000739092_100000737620 [0,1,0,0,0,0|3,0,0]=4 5142 B11R0.42 CCOCSCOC(=O)C(C)C 62a_100000139345_100000739092 [0,1,0,0,0,0|3,0,0]=4 5143 B11R0.42 CCOCSCOC(=O)C(C)C 62a_100000739092_100000139345 [0,1,0,0,0,0|3,0,0]=4 5144 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000210202_100000752486 [0,1,0,0,0,0|2,0,0]=3 5145 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000752486_100000210202 [0,1,0,0,0,0|2,0,0]=3 5146 B11R0.42 CCSCCNCC(=O)C(C)C 2230a_100000106463_100000753385 [0,1,0,0,0,0|2,0,0]=3 5147 B11R0.42 CCSCCNCC(=O)N(C)C 2230a_100000106463_100000185267 [0,1,0,0,0,0|3,0,0]=4 5148 B11R0.42 CCSCCNCC(=O)N(C)C 2230a_100015183351_100000757381 [0,1,0,0,0,0|3,0,0]=4 5149 B11R0.42 CCSCCOCC(=O)C(=O)C 34a_100000212035_100011261029 [0,1,0,0,0,0|2,0,1]=4 5150 B11R0.42 CCSCCOCC(=O)C(C)C 34a_100000212035_100000753385 [0,1,0,0,0,0|2,0,0]=3 5151 B11R0.42 CCSCCOCC(=O)C(C)C 7a_100000212035_100000753385 [0,1,0,0,0,0|2,0,0]=3 5152 B11R0.42 CCSCCOCC(=O)N(C)C 34a_100000212035_100000692301 [0,1,0,0,0,0|3,0,0]=4 5153 B11R0.42 CCSCCOCC(=O)N(C)C 7a_100000212035_100000692301 [0,1,0,0,0,0|3,0,0]=4 5154 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100000757381_100011261029 [0,1,0,0,0,0|2,0,1]=4 5155 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100011261029_100000757381 [0,1,0,0,0,0|2,0,1]=4 5156 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000753385_100000757381 [0,1,0,0,0,0|2,0,0]=3 5157 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000757381_100000753385 [0,1,0,0,0,0|2,0,0]=3 5158 B11R0.42 CCSCCSCC(=O)N(C)C 62a_100000692301_100000757381 [0,1,0,0,0,0|3,0,0]=4 5159 B11R0.42 CCSCCSCC(=O)N(C)C 62a_100000757381_100000692301 [0,1,0,0,0,0|3,0,0]=4 5160 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [0,1,0,0,0,0|2,0,0]=3 5161 B11R0.42 CN(C)C(=O)CCCCSCF 62a_100000752486_100015361967 [0,1,0,0,0,0|3,0,0]=4 5162 B11R0.42 CN(C)C(=O)CCCCSCF 62a_100015361967_100000752486 [0,1,0,0,0,0|3,0,0]=4 5163 B11R0.42 CN(C)C(=O)CCCNCCF 2230a_200000744827_100011217306 [0,1,0,0,0,0|3,0,0]=4 5164 B11R0.42 CN(C)C(=O)CCCNCCO 2230a_100016997473_100000737642 [0,1,0,0,0,0|3,0,0]=4 5165 B11R0.42 CN(C)C(=O)CCCNCCO 2230a_200000744827_100000211926 [0,1,0,0,0,0|3,0,0]=4 5166 B11R0.42 CN(C)C(=O)CCCSCCF 62a_100000737642_100011217306 [0,1,0,0,0,0|3,0,0]=4 5167 B11R0.42 CN(C)C(=O)CCCSCCF 62a_100011217306_100000737642 [0,1,0,0,0,0|3,0,0]=4 5168 B11R0.42 CN(C)C(=O)CCCSCCO 62a_100000211926_100000737642 [0,1,0,0,0,0|3,0,0]=4 5169 B11R0.42 CN(C)C(=O)CCCSCCO 62a_100000737642_100000211926 [0,1,0,0,0,0|3,0,0]=4 5170 B11R0.42 CN(C)C(=O)CCNCCCF 2230a_100000738053_100011934791 [0,1,0,0,0,0|3,0,0]=4 5171 B11R0.42 CN(C)C(=O)CCNCCCF 2230a_100015189416_100000737620 [0,1,0,0,0,0|3,0,0]=4 5172 B11R0.42 CN(C)C(=O)CCNCCCO 2230a_100000738053_100000230001 [0,1,0,0,0,0|3,0,0]=4 5173 B11R0.42 CN(C)C(=O)CCOCCCF 34a_200000747469_100011934791 [0,1,0,0,0,0|3,0,0]=4 5174 B11R0.42 CN(C)C(=O)CCOCCCO 34a_200000747469_100000230001 [0,1,0,0,0,0|3,0,0]=4 5175 B11R0.42 CN(C)C(=O)CCSCCCF 62a_100000737620_100011934791 [0,1,0,0,0,0|3,0,0]=4 5176 B11R0.42 CN(C)C(=O)CCSCCCF 62a_100011934791_100000737620 [0,1,0,0,0,0|3,0,0]=4 5177 B11R0.42 CN(C)C(=O)CCSCCCO 62a_100000737620_100011215043 [0,1,0,0,0,0|3,0,0]=4 5178 B11R0.42 CN(C)C(=O)CCSCCCO 62a_100011215043_100000737620 [0,1,0,0,0,0|3,0,0]=4 5179 B11R0.42 CN(C)C(=O)CNCCCCF 2230a_100015183351_100000729493 [0,1,0,0,0,0|3,0,0]=4 5180 B11R0.42 CN(C)C(=O)CNCCCCO 2230a_100000750430_100000185267 [0,1,0,0,0,0|3,0,0]=4 5181 B11R0.42 CN(C)C(=O)CNCCCCO 2230a_100015183351_100000210776 [0,1,0,0,0,0|3,0,0]=4 5182 B11R0.42 CN(C)C(=O)CNCCCCO 34a_100000750430_100000692301 [0,1,0,0,0,0|3,0,0]=4 5183 B11R0.42 CN(C)C(=O)COCCCCBr 34a_100011216708_100000692301 [0,1,0,0,0,0|3,0,0]=4 5184 B11R0.42 CN(C)C(=O)COCCCCCl 34a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 5185 B11R0.42 CN(C)C(=O)COCCCCCl 7a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 5186 B11R0.42 CN(C)C(=O)COCCCCF 34a_100011995726_100000692301 [0,1,0,0,0,0|3,0,0]=4 5187 B11R0.42 CN(C)C(=O)COCCCCF 7a_100011995726_100000692301 [0,1,0,0,0,0|3,0,0]=4 5188 B11R0.42 CN(C)C(=O)COCCCCI 34a_200012148704_100000692301 [0,1,0,0,0,0|3,0,0]=4 5189 B11R0.42 CN(C)C(=O)COCCCCN 34a_100000750430_100000692301 [0,1,0,0,0,0|3,0,0]=4 5190 B11R0.42 CN(C)C(=O)CSCCCCF 62a_100000692301_100000729493 [0,1,0,0,0,0|3,0,0]=4 5191 B11R0.42 CN(C)C(=O)CSCCCCF 62a_100000729493_100000692301 [0,1,0,0,0,0|3,0,0]=4 5192 B11R0.42 CN(C)C(=O)CSCCCCO 62a_100000210776_100000692301 [0,1,0,0,0,0|3,0,0]=4 5193 B11R0.42 CN(C)C(=O)CSCCCCO 62a_100000692301_100000210776 [0,1,0,0,0,0|3,0,0]=4 5194 B11R0.42 CNCCCOCC(=O)C(=O)C 34a_100000213112_100011261029 [0,1,0,0,0,0|2,0,1]=4 5195 B11R0.42 CNCCCOCC(=O)C(C)C 34a_100000213112_100000753385 [0,1,0,0,0,0|2,0,0]=3 5196 B11R0.42 CNCCCOCC(=O)N(C)C 34a_100000213112_100000692301 [0,1,0,0,0,0|3,0,0]=4 5197 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [0,1,0,0,0,0|1,0,0]=2 5198 B11R0.42 COCCCCCC(=O)N(C)C 11a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 5199 B11R0.42 COCCCCCC(=O)N(C)C 1626a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 5200 B11R0.42 COCCCCCC(=O)N(C)C 240690a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 5201 B11R0.42 COCCCCCC(=O)N(C)C 527a_100102631434_100011935119 [0,1,0,0,0,0|2,0,0]=3 5202 B11R0.42 COCCCNCC(=O)C(=O)C 34a_100150723488_100011261029 [0,1,0,0,0,0|2,0,1]=4 5203 B11R0.42 COCCCNCC(=O)C(C)C 34a_100150723488_100000753385 [0,1,0,0,0,0|2,0,0]=3 5204 B11R0.42 COCCCNCC(=O)N(C)C 2230a_100015183351_100000740836 [0,1,0,0,0,0|3,0,0]=4 5205 B11R0.42 COCCCNCC(=O)N(C)C 34a_100150723488_100000692301 [0,1,0,0,0,0|3,0,0]=4 5206 B11R0.42 COCCCNNC(=O)C(C)C 22a_100025702787_100000210198 [0,1,0,0,0,0|3,0,0]=4 5207 B11R0.42 COCCCNNC(=O)C(C)F 22a_100025702787_100000062450 [0,1,0,0,0,0|3,0,0]=4 5208 B11R0.42 COCCCNNC(=O)[C@@H](C)O 22a_100025702787_100000717761 [0,1,0,0,0,0|3,0,0]=4 5209 B11R0.42 COCCCNNC(=O)[C@H](C)O 22a_100025702787_217856618621 [0,1,0,0,0,0|3,0,0]=4 5210 B11R0.42 COCCCOCC(=O)C(=O)C 34a_100000740835_100011261029 [0,1,0,0,0,0|2,0,1]=4 5211 B11R0.42 COCCCOCC(=O)C(C)C 34a_100000740835_100000753385 [0,1,0,0,0,0|2,0,0]=3 5212 B11R0.42 COCCCOCC(=O)N(C)C 34a_100000740835_100000692301 [0,1,0,0,0,0|3,0,0]=4 5213 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100000709357_100011261029 [0,1,0,0,0,0|2,0,1]=4 5214 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100011261029_100000709357 [0,1,0,0,0,0|2,0,1]=4 5215 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000709357_100000753385 [0,1,0,0,0,0|2,0,0]=3 5216 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000753385_100000709357 [0,1,0,0,0,0|2,0,0]=3 5217 B11R0.42 COCCCSCC(=O)N(C)C 62a_100000692301_100000709357 [0,1,0,0,0,0|3,0,0]=4 5218 B11R0.42 COCCCSCC(=O)N(C)C 62a_100000709357_100000692301 [0,1,0,0,0,0|3,0,0]=4 5219 B11R0.42 COCCNCCC(=O)N(C)C 2230a_100000209980_100000737620 [0,1,0,0,0,0|3,0,0]=4 5220 B11R0.42 COCCNCCC(=O)N(C)C 2230a_100000738053_100011201679 [0,1,0,0,0,0|3,0,0]=4 5221 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000210198_100000695917 [0,1,0,0,0,0|2,0,0]=3 5222 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000745395_100000210206 [0,1,0,0,0,0|2,0,0]=3 5223 B11R0.42 COCCOCCC(=O)C(C)F 1458a_100000062450_100000695917 [0,1,0,0,0,0|2,0,0]=3 5224 B11R0.42 COCCOCCC(=O)C(O)O 1458a_100000233687_100000695917 [0,1,0,0,0,0|3,0,0]=4 5225 B11R0.42 COCCOCCC(=O)N(C)C 11a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 5226 B11R0.42 COCCOCCC(=O)N(C)C 1626a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 5227 B11R0.42 COCCOCCC(=O)N(C)C 240690a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 5228 B11R0.42 COCCOCCC(=O)N(C)C 34a_200000747469_100011201679 [0,1,0,0,0,0|3,0,0]=4 5229 B11R0.42 COCCOCCC(=O)N(C)C 527a_100102631434_100000745395 [0,1,0,0,0,0|3,0,0]=4 5230 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [0,1,0,0,0,0|2,0,0]=3 5231 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [0,1,0,0,0,0|2,0,0]=3 5232 B11R0.42 COCCSCCC(=O)N(C)C 62a_100000233755_100000737620 [0,1,0,0,0,0|3,0,0]=4 5233 B11R0.42 COCCSCCC(=O)N(C)C 62a_100000737620_100000233755 [0,1,0,0,0,0|3,0,0]=4 5234 B11R0.42 COCCSCOC(=O)C(C)C 62a_100000139345_100000233755 [0,1,0,0,0,0|3,0,0]=4 5235 B11R0.42 COCCSCOC(=O)C(C)C 62a_100000233755_100000139345 [0,1,0,0,0,0|3,0,0]=4 5236 B11R0.42 COCNCCCC(=O)N(C)C 2230a_200000744827_100000766300 [0,1,0,0,0,0|3,0,0]=4 5237 B11R0.42 COCNCCNC(=O)C(C)C 2230a_100000752568_100000766300 [0,1,0,0,0,0|3,0,0]=4 5238 B11R0.42 COCSCCCC(=O)N(C)C 62a_100000737642_100000766300 [0,1,0,0,0,0|3,0,0]=4 5239 B11R0.42 COCSCCCC(=O)N(C)C 62a_100000766300_100000737642 [0,1,0,0,0,0|3,0,0]=4 5240 B11R0.42 CSCCCNCC(=O)C(C)C 2230a_100000749238_100000753385 [0,1,0,0,0,0|2,0,0]=3 5241 B11R0.42 CSCCCNCC(=O)N(C)C 2230a_100000749238_100000185267 [0,1,0,0,0,0|3,0,0]=4 5242 B11R0.42 CSCCCOCC(=O)C(=O)C 34a_100000690336_100011261029 [0,1,0,0,0,0|2,0,1]=4 5243 B11R0.42 CSCCCOCC(=O)C(C)C 34a_100000690336_100000753385 [0,1,0,0,0,0|2,0,0]=3 5244 B11R0.42 CSCCCOCC(=O)C(C)C 7a_100000690336_100000753385 [0,1,0,0,0,0|2,0,0]=3 5245 B11R0.42 CSCCCOCC(=O)N(C)C 34a_100000690336_100000692301 [0,1,0,0,0,0|3,0,0]=4 5246 B11R0.42 CSCCCOCC(=O)N(C)C 7a_100000690336_100000692301 [0,1,0,0,0,0|3,0,0]=4 5247 B11R0.42 CSCCNCCC(=O)N(C)C 2230a_100000738053_100000751147 [0,1,0,0,0,0|3,0,0]=4 5248 B11R0.42 CSCCNCCC(=O)N(C)C 2230a_100020590264_100000737620 [0,1,0,0,0,0|3,0,0]=4 5249 B11R0.42 CSCCOCCC(=O)N(C)C 34a_200000747469_100000212216 [0,1,0,0,0,0|3,0,0]=4 5250 B11R0.42 CSCCOCCC(=O)N(C)C 7a_100000230434_100000737620 [0,1,0,0,0,0|3,0,0]=4 5251 B11R0.42 CSCCSCCC(=O)N(C)C 62a_100000212216_100000737620 [0,1,0,0,0,0|3,0,0]=4 5252 B11R0.42 CSCCSCCC(=O)N(C)C 62a_100000737620_100000751147 [0,1,0,0,0,0|3,0,0]=4 5253 B11R0.42 CSCCSCOC(=O)C(C)C 62a_100000139345_100000751147 [0,1,0,0,0,0|3,0,0]=4 5254 B11R0.42 CSCCSCOC(=O)C(C)C 62a_100000212216_100000139345 [0,1,0,0,0,0|3,0,0]=4 5255 B11R0.42 CSCNCCCC(=O)N(C)C 2230a_200000744827_100011218213 [0,1,0,0,0,0|3,0,0]=4 5256 B11R0.42 CSCNCCNC(=O)C(C)C 2230a_100000752568_100011218213 [0,1,0,0,0,0|3,0,0]=4 5257 B11R0.42 CSCNCCNC(=O)C(C)C 34a_100000752568_100011218213 [0,1,0,0,0,0|3,0,0]=4 5258 B11R0.42 CSCSCCCC(=O)N(C)C 62a_100000737642_100011218213 [0,1,0,0,0,0|3,0,0]=4 5259 B11R0.42 CSCSCCCC(=O)N(C)C 62a_100011218213_100000737642 [0,1,0,0,0,0|3,0,0]=4 5260 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [0,1,0,0,0,0|1,0,1]=3 5261 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [0,1,0,0,0,0|1,0,0]=2 5262 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [0,1,0,0,0,0|1,0,0]=2 5263 B11R0.42 C[C@@H](O)C(=O)NCCCCC#N 240690a_100000751965_100000717761 [0,1,0,0,0,0|2,0,1]=4 5264 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [0,1,0,0,0,0|2,0,0]=3 5265 B11R0.42 C[C@@H](O)C(=O)NCCOCCO 240690a_100000211614_100000717761 [0,1,0,0,0,0|3,0,0]=4 5266 B11R0.42 C[C@@H](O)C(=O)NCCSCCO 240690a_100011219999_100000717761 [0,1,0,0,0,0|3,0,0]=4 5267 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [0,1,0,0,0,0|1,0,1]=3 5268 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [0,1,0,0,0,0|1,0,0]=2 5269 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [0,1,0,0,0,0|1,0,0]=2 5270 B11R0.42 C[C@H](O)C(=O)NCCCCC#N 1626a_100000751965_217856618621 [0,1,0,0,0,0|2,0,1]=4 5271 B11R0.42 C[C@H](O)C(=O)NCCCCC#N 240690a_100000751965_217856618621 [0,1,0,0,0,0|2,0,1]=4 5272 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [0,1,0,0,0,0|2,0,0]=3 5273 B11R0.42 C[C@H](O)C(=O)NCCOCCO 240690a_100000211614_217856618621 [0,1,0,0,0,0|3,0,0]=4 5274 B11R0.42 C[C@H](O)C(=O)NCCSCCO 240690a_100011219999_217856618621 [0,1,0,0,0,0|3,0,0]=4 5275 B11R0.42 N#CCCCCCC(=O)C(O)O 1458a_100000233687_100009813376 [0,1,0,0,0,0|2,0,1]=4 5276 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [0,1,0,0,0,0|2,0,0]=3 5277 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [0,1,0,0,0,0|2,0,0]=3 5278 B11R0.42 O=C(NCCCCCO)C(F)F 240690a_100000762737_100000210393 [0,1,0,0,0,0|3,0,0]=4 5279 B11R0.42 O=C(NCCCCCO)C(O)O 240690a_100000762737_100000233687 [0,1,0,0,0,0|3,0,0]=4 5280 B11R0.49 CCCCCCCC(C)(C)NC 34a_100102657272_200000046972 [0,1,0,0,0,0|2,0,1]=4 5281 B11R0.49 CCCCCCCC(C)(C)NC 7a_106832991635_200000046972 [0,1,0,0,0,0|2,0,1]=4 5282 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [0,1,0,0,0,0|2,0,1]=4 5283 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000046972_200000210301 [0,1,0,0,0,0|2,0,1]=4 5284 B11R0.49 CCCCCCCC(C)(C)SC 62a_200000210301_200000046972 [0,1,0,0,0,0|2,0,1]=4 5285 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200000046972_200025704644 [0,1,0,0,0,0|2,0,1]=4 5286 B11R0.49 CCCCCCCC(C)(C)S[13CH3] 62a_200025704644_200000046972 [0,1,0,0,0,0|2,0,1]=4 5287 B11R0.49 CCCCCCNC(C)(C)CC 2230a_100000211385_100000210314 [0,1,0,0,0,0|2,0,1]=4 5288 B11R0.49 CCCCCCNS(=O)(=O)CC 270084a_100000210581_100000211323 [0,1,0,0,0,0|2,0,0]=3 5289 B11R0.49 CCCCCCNS(=O)(=O)CC 274078a_100000210581_100000211323 [0,1,0,0,0,0|2,0,0]=3 5290 B11R0.49 CCCCCCNS(=O)(=O)CC 40a_100000210581_100000053943 [0,1,0,0,0,0|2,0,0]=3 5291 B11R0.49 CCCCCCNS(=O)(=O)CCl 270084a_100000210581_100000031410 [0,1,0,0,0,0|3,0,0]=4 5292 B11R0.49 CCCCCCNS(=O)(=O)CCl 274078a_100000210581_100000031410 [0,1,0,0,0,0|3,0,0]=4 5293 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210230_100000210314 [0,1,0,0,0,0|2,0,1]=4 5294 B11R0.49 CCCCCCOC(C)(C)CC 7a_100000210259_100000210677 [0,1,0,0,0,0|2,0,1]=4 5295 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000032637_100000210757 [0,1,0,0,0,0|2,0,1]=4 5296 B11R0.49 CCCCCCSC(C)(C)CC 62a_100000210314_100000032637 [0,1,0,0,0,0|2,0,1]=4 5297 B11R0.49 CCCCCNNS(=O)(=O)CC 40a_100000694160_100000053943 [0,1,0,0,0,0|3,0,0]=4 5298 B11R0.49 CCCCCOCC(C)(C)CC 7a_100000765029_100000210326 [0,1,0,0,0,0|2,0,1]=4 5299 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000102301_100000756660 [0,1,0,0,0,0|2,0,0]=3 5300 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210211 [0,1,0,0,0,0|2,0,0]=3 5301 B11R0.49 CCCCNCCS(=O)(=O)CC 34a_100000751051_100000210210 [0,1,0,0,0,0|2,0,0]=3 5302 B11R0.49 CCCCNCCS(=O)(=O)CC 7a_106832991798_100000756660 [0,1,0,0,0,0|2,0,0]=3 5303 B11R0.49 CCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210211 [0,1,0,0,0,0|3,0,0]=4 5304 B11R0.49 CCCCNCCS(=O)(=O)NC 34a_100000710037_100000210210 [0,1,0,0,0,0|3,0,0]=4 5305 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_100000210227_100000756660 [0,1,0,0,0,0|2,0,0]=3 5306 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_200011216379_100000210210 [0,1,0,0,0,0|2,0,0]=3 5307 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_100000210227_100000756660 [0,1,0,0,0,0|2,0,0]=3 5308 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_200011216379_100000210211 [0,1,0,0,0,0|2,0,0]=3 5309 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000210211_100000756660 [0,1,0,0,0,0|2,0,0]=3 5310 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000756660_100000210210 [0,1,0,0,0,0|2,0,0]=3 5311 B11R0.49 CCCOCCNS(=O)(=O)CC 270084a_100161115042_100000211323 [0,1,0,0,0,0|3,0,0]=4 5312 B11R0.49 CCCOCCNS(=O)(=O)CC 274078a_100161115042_100000211323 [0,1,0,0,0,0|3,0,0]=4 5313 B11R0.49 CCCOCCNS(=O)(=O)CC 40a_100161115042_100000053943 [0,1,0,0,0,0|3,0,0]=4 5314 B11R0.49 CCCSCCNS(=O)(=O)CC 270084a_100020603323_100000211323 [0,1,0,0,0,0|3,0,0]=4 5315 B11R0.49 CCCSCCNS(=O)(=O)CC 274078a_100020603323_100000211323 [0,1,0,0,0,0|3,0,0]=4 5316 B11R0.49 CCCSCCNS(=O)(=O)CC 40a_100020603323_100000053943 [0,1,0,0,0,0|3,0,0]=4 5317 B11R0.49 CCOCCCNS(=O)(=O)CC 270084a_100000210961_100000211323 [0,1,0,0,0,0|3,0,0]=4 5318 B11R0.49 CCOCCCNS(=O)(=O)CC 274078a_100000210961_100000211323 [0,1,0,0,0,0|3,0,0]=4 5319 B11R0.49 CCOCCCNS(=O)(=O)CC 40a_100000210961_100000053943 [0,1,0,0,0,0|3,0,0]=4 5320 B11R0.49 CCOCSCCS(=O)(=O)CC 62a_100000739092_100000756660 [0,1,0,0,0,0|3,0,0]=4 5321 B11R0.49 CCOCSCCS(=O)(=O)CC 62a_100000756660_100000739092 [0,1,0,0,0,0|3,0,0]=4 5322 B11R0.49 CCS(=O)(=O)CCNCCCF 2230a_100000751051_100011934791 [0,1,0,0,0,0|3,0,0]=4 5323 B11R0.49 CCS(=O)(=O)CCNCCCF 2230a_100015189416_100000756660 [0,1,0,0,0,0|3,0,0]=4 5324 B11R0.49 CCS(=O)(=O)CCNCCCF 34a_100000751051_100011934791 [0,1,0,0,0,0|3,0,0]=4 5325 B11R0.49 CCS(=O)(=O)CCNCCCF 34a_100015189416_100000756660 [0,1,0,0,0,0|3,0,0]=4 5326 B11R0.49 CCS(=O)(=O)CCNCCCO 2230a_100000751051_100000230001 [0,1,0,0,0,0|3,0,0]=4 5327 B11R0.49 CCS(=O)(=O)CCNCCCO 34a_100000751051_100000230001 [0,1,0,0,0,0|3,0,0]=4 5328 B11R0.49 CCS(=O)(=O)CCNCCOC 2230a_100000209980_100000756660 [0,1,0,0,0,0|3,0,0]=4 5329 B11R0.49 CCS(=O)(=O)CCNCCOC 2230a_100000751051_100011201679 [0,1,0,0,0,0|3,0,0]=4 5330 B11R0.49 CCS(=O)(=O)CCNCCOC 34a_100000751051_100011201679 [0,1,0,0,0,0|3,0,0]=4 5331 B11R0.49 CCS(=O)(=O)CCNCCSC 2230a_100000751051_100000751147 [0,1,0,0,0,0|3,0,0]=4 5332 B11R0.49 CCS(=O)(=O)CCNCCSC 2230a_100020590264_100000756660 [0,1,0,0,0,0|3,0,0]=4 5333 B11R0.49 CCS(=O)(=O)CCNCCSC 34a_100000751051_100000212216 [0,1,0,0,0,0|3,0,0]=4 5334 B11R0.49 CCS(=O)(=O)CCOCCCBr 34a_100011217188_100000756660 [0,1,0,0,0,0|3,0,0]=4 5335 B11R0.49 CCS(=O)(=O)CCOCCCCl 34a_100000230001_100000756660 [0,1,0,0,0,0|3,0,0]=4 5336 B11R0.49 CCS(=O)(=O)CCOCCCF 34a_100000759539_100000756660 [0,1,0,0,0,0|3,0,0]=4 5337 B11R0.49 CCS(=O)(=O)CCOCCCF 34a_200011216379_100011934791 [0,1,0,0,0,0|3,0,0]=4 5338 B11R0.49 CCS(=O)(=O)CCOCCCF 7a_200011216379_100011934791 [0,1,0,0,0,0|3,0,0]=4 5339 B11R0.49 CCS(=O)(=O)CCOCCCN 34a_100000182051_100000756660 [0,1,0,0,0,0|3,0,0]=4 5340 B11R0.49 CCS(=O)(=O)CCOCCCO 34a_200011216379_100000230001 [0,1,0,0,0,0|3,0,0]=4 5341 B11R0.49 CCS(=O)(=O)CCOCCCO 7a_200011216379_100011215043 [0,1,0,0,0,0|3,0,0]=4 5342 B11R0.49 CCS(=O)(=O)CCOCCOC 34a_100000210237_100000756660 [0,1,0,0,0,0|3,0,0]=4 5343 B11R0.49 CCS(=O)(=O)CCOCCOC 34a_200011216379_100011201679 [0,1,0,0,0,0|3,0,0]=4 5344 B11R0.49 CCS(=O)(=O)CCOCCOC 7a_200011216379_100000233755 [0,1,0,0,0,0|3,0,0]=4 5345 B11R0.49 CCS(=O)(=O)CCOCCSC 34a_100000230434_100000756660 [0,1,0,0,0,0|3,0,0]=4 5346 B11R0.49 CCS(=O)(=O)CCOCCSC 34a_200011216379_100000212216 [0,1,0,0,0,0|3,0,0]=4 5347 B11R0.49 CCS(=O)(=O)CCOCCSC 7a_100000230434_100000756660 [0,1,0,0,0,0|3,0,0]=4 5348 B11R0.49 CCS(=O)(=O)CCOCCSC 7a_200011216379_100000212216 [0,1,0,0,0,0|3,0,0]=4 5349 B11R0.49 CCS(=O)(=O)CCSCCCF 62a_100000756660_100011934791 [0,1,0,0,0,0|3,0,0]=4 5350 B11R0.49 CCS(=O)(=O)CCSCCCF 62a_100011934791_100000756660 [0,1,0,0,0,0|3,0,0]=4 5351 B11R0.49 CCS(=O)(=O)CCSCCCO 62a_100000756660_100011215043 [0,1,0,0,0,0|3,0,0]=4 5352 B11R0.49 CCS(=O)(=O)CCSCCCO 62a_100011215043_100000756660 [0,1,0,0,0,0|3,0,0]=4 5353 B11R0.49 CCS(=O)(=O)CCSCCOC 62a_100000233755_100000756660 [0,1,0,0,0,0|3,0,0]=4 5354 B11R0.49 CCS(=O)(=O)CCSCCOC 62a_100000756660_100000233755 [0,1,0,0,0,0|3,0,0]=4 5355 B11R0.49 CCS(=O)(=O)CCSCCSC 62a_100000212216_100000756660 [0,1,0,0,0,0|3,0,0]=4 5356 B11R0.49 CCS(=O)(=O)CCSCCSC 62a_100000756660_100000751147 [0,1,0,0,0,0|3,0,0]=4 5357 B11R0.49 CCS(=O)(=O)NCCCCCO 270084a_100000762737_100000211323 [0,1,0,0,0,0|3,0,0]=4 5358 B11R0.49 CCS(=O)(=O)NCCCCCO 274078a_100000762737_100000211323 [0,1,0,0,0,0|3,0,0]=4 5359 B11R0.49 CCS(=O)(=O)NCCCCCO 40a_100000762737_100000053943 [0,1,0,0,0,0|3,0,0]=4 5360 B11R0.70 C=CCCC(C)OCC(=O)CC 7a_100000765329_100000747405 [0,1,0,0,0,0|1,0,2]=4 5361 B11R0.70 CCC#CC(C)OCC(=O)CC 7a_100000033903_100000747405 [0,1,0,0,0,0|1,0,2]=4 5362 B11R0.70 CCC(=O)CCN(C)CCOC 1458a_200103286627_100000210202 [0,1,0,0,0,0|2,0,0]=3 5363 B11R0.70 CCC(=O)COC(C)CCCCl 7a_200000718107_100000747405 [0,1,0,0,0,0|2,0,0]=3 5364 B11R0.70 CCC(=O)NCC(=O)CCCF 1458a_100000194589_100011934791 [0,1,0,0,0,0|2,0,1]=4 5365 B11R0.70 CCC(=O)NCC(=O)CCCO 1458a_100000194589_100011215043 [0,1,0,0,0,0|2,0,1]=4 5366 B11R0.70 CCC(=O)NCC(=O)CCOC 1458a_100000194589_100000233755 [0,1,0,0,0,0|2,0,1]=4 5367 B11R0.70 CCC(=O)NCC(=O)CCSC 1458a_100000194589_100000751147 [0,1,0,0,0,0|2,0,1]=4 5368 B11R0.70 CCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210414 [0,1,0,0,0,0|2,0,0]=3 5369 B11R0.70 CCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210414 [0,1,0,0,0,0|2,0,0]=3 5370 B11R0.70 CCCCC(=NNC(=O)CC)C 4a_100000183195_100000210087 [0,1,0,0,0,0|2,0,1]=4 5371 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [0,1,0,0,0,0|1,0,1]=3 5372 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,1,0,0,0,0|1,0,1]=3 5373 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,1,0,0,0,0|1,0,2]=4 5374 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [0,1,0,0,0,0|2,0,1]=4 5375 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [0,1,0,0,0,0|1,0,1]=3 5376 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [0,1,0,0,0,0|1,0,1]=3 5377 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [0,1,0,0,0,0|2,0,1]=4 5378 B11R0.70 CCCCC(=O)NCC(=O)NC 11a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 5379 B11R0.70 CCCCC(=O)NCC(=O)NC 240690a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 5380 B11R0.70 CCCCC(=O)NCC(=O)NC 527a_100000693194_100000210183 [0,1,0,0,0,0|2,0,1]=4 5381 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [0,1,0,0,0,0|2,0,1]=4 5382 B11R0.70 CCCCC(=O)NNC(=O)CC 22a_100000183195_100000210183 [0,1,0,0,0,0|2,0,1]=4 5383 B11R0.70 CCCCC(=O)NNC(=O)CC 22a_100000189769_100000210414 [0,1,0,0,0,0|2,0,1]=4 5384 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [0,1,0,0,0,0|0,0,0]=1 5385 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [0,1,0,0,0,0|1,0,0]=2 5386 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [0,1,0,0,0,0|1,0,0]=2 5387 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 5388 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 5389 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [0,1,0,0,0,0|1,0,0]=2 5390 B11R0.70 CCCCC(C)COC(C)CC 34a_100011995851_100011215416 [0,1,0,0,0,0|2,0,1]=4 5391 B11R0.70 CCCCC(C)COC(C)CC 7a_100011995851_100000758301 [0,1,0,0,0,0|2,0,1]=4 5392 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [0,1,0,0,0,0|2,0,0]=3 5393 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [0,1,0,0,0,0|2,0,0]=3 5394 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [0,1,0,0,0,0|2,0,0]=3 5395 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [0,1,0,0,0,0|2,0,0]=3 5396 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100000126638_100000748023 [0,1,0,0,0,0|2,0,1]=4 5397 B11R0.70 CCCCC(C)NCC(C)CC 2230a_100020588543_200011215066 [0,1,0,0,0,0|2,0,1]=4 5398 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100000126638_100000243153 [0,1,0,0,0,0|2,0,1]=4 5399 B11R0.70 CCCCC(C)NCC(C)CC 270004a_100020588543_100000210087 [0,1,0,0,0,0|2,0,1]=4 5400 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100000126638_100011218378 [0,1,0,0,0,0|1,0,2]=4 5401 B11R0.70 CCCCC(C)NCC(O)CC 2230a_100011218483_200011215066 [0,1,0,0,0,0|1,0,2]=4 5402 B11R0.70 CCCCC(C)NCC(O)CC 270004a_100011218483_100000210087 [0,1,0,0,0,0|1,0,2]=4 5403 B11R0.70 CCCCC(C)NC[C@@H](C)CC 2230a_100000126638_100009816398 [0,1,0,0,0,0|2,0,1]=4 5404 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [0,1,0,0,0,0|1,0,0]=2 5405 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [0,1,0,0,0,0|1,0,0]=2 5406 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [0,1,0,0,0,0|2,0,0]=3 5407 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [0,1,0,0,0,0|2,0,0]=3 5408 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [0,1,0,0,0,0|2,0,0]=3 5409 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [0,1,0,0,0,0|2,0,0]=3 5410 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [0,1,0,0,0,0|2,0,0]=3 5411 B11R0.70 CCCCC(C)OCC(C)CC 34a_100000687866_100000748023 [0,1,0,0,0,0|2,0,1]=4 5412 B11R0.70 CCCCC(C)OCC(C)CC 7a_100000687866_100000748023 [0,1,0,0,0,0|2,0,1]=4 5413 B11R0.70 CCCCC(C)OCC(O)CC 34a_100000687866_100011218378 [0,1,0,0,0,0|1,0,2]=4 5414 B11R0.70 CCCCC(C)OCC(O)CC 7a_100000687866_100011218378 [0,1,0,0,0,0|1,0,2]=4 5415 B11R0.70 CCCCC(C)OC[C@@H](C)CC 34a_100000687866_100009816398 [0,1,0,0,0,0|2,0,1]=4 5416 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100000687866_100009816398 [0,1,0,0,0,0|2,0,1]=4 5417 B11R0.70 CCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011215066 [0,1,0,0,0,0|2,0,1]=4 5418 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [0,1,0,0,0,0|1,0,0]=2 5419 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [0,1,0,0,0,0|1,0,0]=2 5420 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [0,1,0,0,0,0|2,0,0]=3 5421 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [0,1,0,0,0,0|2,0,0]=3 5422 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [0,1,0,0,0,0|2,0,0]=3 5423 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [0,1,0,0,0,0|2,0,0]=3 5424 B11R0.70 CCCCC(C)SCC(C)CC 62a_100000748023_200011215066 [0,1,0,0,0,0|2,0,1]=4 5425 B11R0.70 CCCCC(C)SCC(C)CC 62a_200011215066_100000748023 [0,1,0,0,0,0|2,0,1]=4 5426 B11R0.70 CCCCC(C)SCC(O)CC 62a_100011218378_200011215066 [0,1,0,0,0,0|1,0,2]=4 5427 B11R0.70 CCCCC(C)SCC(O)CC 62a_200011215066_100011218378 [0,1,0,0,0,0|1,0,2]=4 5428 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011215066 [0,1,0,0,0,0|2,0,1]=4 5429 B11R0.70 CCCCC(C)SC[C@@H](C)CC 62a_200011215066_100009816398 [0,1,0,0,0,0|2,0,1]=4 5430 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [0,1,0,0,0,0|2,0,0]=3 5431 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [0,1,0,0,0,0|2,0,0]=3 5432 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [0,1,0,0,0,0|2,0,0]=3 5433 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [0,1,0,0,0,0|2,0,0]=3 5434 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [0,1,0,0,0,0|2,0,0]=3 5435 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [0,1,0,0,0,0|2,0,0]=3 5436 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [0,1,0,0,0,0|2,0,0]=3 5437 B11R0.70 CCCC[C@H](N)COC(C)CC 34a_100011934283_100011215416 [0,1,0,0,0,0|2,0,1]=4 5438 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [0,1,0,0,0,0|1,0,1]=3 5439 B11R0.70 CCCNC(=O)CCC(=O)CF 1458a_100000199543_100015361967 [0,1,0,0,0,0|2,0,1]=4 5440 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 5441 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [0,1,0,0,0,0|2,0,1]=4 5442 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 5443 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 5444 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 5445 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 5446 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 5447 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 5448 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [0,1,0,0,0,0|2,0,1]=4 5449 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [0,1,0,0,0,0|2,0,1]=4 5450 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [0,1,0,0,0,0|2,0,1]=4 5451 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [0,1,0,0,0,0|2,0,1]=4 5452 B11R0.70 CCCNC(=O)CCS(=O)CC 11a_100020643023_100011387550 [0,1,0,0,0,0|2,0,1]=4 5453 B11R0.70 CCCNC(=O)CCS(=O)CC 1626a_100020643023_100011387550 [0,1,0,0,0,0|2,0,1]=4 5454 B11R0.70 CCCNC(=O)CCS(=O)CC 240690a_100020643023_100011387550 [0,1,0,0,0,0|2,0,1]=4 5455 B11R0.70 CCCNC(=O)CCS(=O)CC 527a_100020643023_100011387550 [0,1,0,0,0,0|2,0,1]=4 5456 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100000174927_100000210414 [0,1,0,0,0,0|2,0,1]=4 5457 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100020643023_100000194589 [0,1,0,0,0,0|2,0,1]=4 5458 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100000174927_100000210414 [0,1,0,0,0,0|2,0,1]=4 5459 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100020643023_100000194589 [0,1,0,0,0,0|2,0,1]=4 5460 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100000174927_100000210414 [0,1,0,0,0,0|2,0,1]=4 5461 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100020643023_100000194589 [0,1,0,0,0,0|2,0,1]=4 5462 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100000174927_100000210414 [0,1,0,0,0,0|2,0,1]=4 5463 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100020643023_100000194589 [0,1,0,0,0,0|2,0,1]=4 5464 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [0,1,0,0,0,0|2,0,1]=4 5465 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,1,0,0,0,0|2,0,1]=4 5466 B11R0.70 CCCOC(C)CNC(=O)CC 11a_100015185124_100000210414 [0,1,0,0,0,0|2,0,0]=3 5467 B11R0.70 CCCOC(C)CNC(=O)CC 1626a_100015185124_100000210414 [0,1,0,0,0,0|2,0,0]=3 5468 B11R0.70 CCCOC(C)CNC(=O)CC 240690a_100015185124_100000210414 [0,1,0,0,0,0|2,0,0]=3 5469 B11R0.70 CCCOC(C)CNC(=O)CC 527a_100015185124_100000210414 [0,1,0,0,0,0|2,0,0]=3 5470 B11R0.70 CCCOC(C)CNC(=O)CO 240690a_100015185124_100000210174 [0,1,0,0,0,0|3,0,0]=4 5471 B11R0.70 CCCOC(C)CNC(=O)CO 527a_100015185124_100000210174 [0,1,0,0,0,0|3,0,0]=4 5472 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100015185124_106832991635 [0,1,0,0,0,0|3,0,0]=4 5473 B11R0.70 CCCOC(C)CNC(=O)NC 2708a_100102657272_100015185124 [0,1,0,0,0,0|3,0,0]=4 5474 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100015185124_100102657272 [0,1,0,0,0,0|3,0,0]=4 5475 B11R0.70 CCCOC(C)CNC(=O)NC 273464a_100102657272_100015185124 [0,1,0,0,0,0|3,0,0]=4 5476 B11R0.70 CCCOC(C)CNC(=O)NC 512a_100015185124_100102657272 [0,1,0,0,0,0|3,0,0]=4 5477 B11R0.70 CCCOC(C)CNC(=O)NC 512a_106832991638_100015185124 [0,1,0,0,0,0|3,0,0]=4 5478 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [0,1,0,0,0,0|2,0,1]=4 5479 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,1,0,0,0,0|2,0,1]=4 5480 B11R0.70 CCOCC(C)OCC(=O)CC 7a_100000718985_100000747405 [0,1,0,0,0,0|2,0,0]=3 5481 B11R0.70 CCOCC(C)OCC(=O)NC 34a_100000718985_100000183359 [0,1,0,0,0,0|3,0,0]=4 5482 B11R0.70 CCOCC(C)OCC(=O)NC 7a_100000718985_100000183359 [0,1,0,0,0,0|3,0,0]=4 5483 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [0,1,0,0,0,0|3,0,0]=4 5484 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [0,1,0,0,0,0|3,0,0]=4 5485 B11R0.70 CCOCC(O)CNC(=O)CC 240690a_102515437182_100000210414 [0,1,0,0,0,0|2,0,0]=3 5486 B11R0.70 CCOCC(O)CNC(=O)CC 527a_102515437182_100000210414 [0,1,0,0,0,0|2,0,0]=3 5487 B11R0.70 CCOCC(O)CNC(=O)CO 240690a_102515437182_100000210174 [0,1,0,0,0,0|3,0,0]=4 5488 B11R0.70 CCOCC(O)CNC(=O)CO 527a_102515437182_100000210174 [0,1,0,0,0,0|3,0,0]=4 5489 B11R0.70 CCOCC(O)CNC(=O)NC 2708a_100102657272_102515437182 [0,1,0,0,0,0|3,0,0]=4 5490 B11R0.70 CCOCC(O)CNC(=O)NC 273464a_100102657272_102515437182 [0,1,0,0,0,0|3,0,0]=4 5491 B11R0.70 CCOCC(O)CNC(=O)NC 273464a_102515437182_100102657272 [0,1,0,0,0,0|3,0,0]=4 5492 B11R0.70 CCOCC(O)CNC(=O)NC 512a_102515437182_100102657272 [0,1,0,0,0,0|3,0,0]=4 5493 B11R0.70 CCOCN(C)CCC(=O)NC 269982a_100000750875_100000739092 [0,1,0,0,0,0|3,0,0]=4 5494 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [0,1,0,0,0,0|3,0,0]=4 5495 B11R0.70 CCS(=O)CCC(=O)CCCF 1458a_100011387550_100011934791 [0,1,0,0,0,0|2,0,1]=4 5496 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [0,1,0,0,0,0|2,0,1]=4 5497 B11R0.70 CCS(=O)CCC(=O)CCOC 1458a_100011387550_100000233755 [0,1,0,0,0,0|2,0,1]=4 5498 B11R0.70 CCS(=O)CCC(=O)CCSC 1458a_100011387550_100000751147 [0,1,0,0,0,0|2,0,1]=4 5499 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [0,1,0,0,0,0|2,0,1]=4 5500 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [0,1,0,0,0,0|2,0,1]=4 5501 B11R0.70 CCSCC(C)NCC(=O)NC 270004a_100000693194_200011216171 [0,1,0,0,0,0|3,0,0]=4 5502 B11R0.70 CNC(=O)CCC(=O)CCCF 1458a_100011309844_100011934791 [0,1,0,0,0,0|2,0,1]=4 5503 B11R0.70 CNC(=O)CCC(=O)CCCO 1458a_100011309844_100011215043 [0,1,0,0,0,0|2,0,1]=4 5504 B11R0.70 CNC(=O)CCC(=O)CCOC 1458a_100011309844_100000233755 [0,1,0,0,0,0|2,0,1]=4 5505 B11R0.70 CNC(=O)CCC(=O)CCSC 1458a_100011309844_100000751147 [0,1,0,0,0,0|2,0,1]=4 5506 B11R0.70 CNC(=O)CCN(C)CCCF 2230a_100000750875_100011934791 [0,1,0,0,0,0|3,0,0]=4 5507 B11R0.70 CNC(=O)CCN(C)CCCF 269982a_100000750875_100011934791 [0,1,0,0,0,0|3,0,0]=4 5508 B11R0.70 CNC(=O)CCN(C)CCCO 2230a_100000213112_100000737683 [0,1,0,0,0,0|3,0,0]=4 5509 B11R0.70 CNC(=O)CCN(C)CCCO 2230a_100000750875_100000230001 [0,1,0,0,0,0|3,0,0]=4 5510 B11R0.70 CNC(=O)CCN(C)CCCO 269982a_100000213112_100000737683 [0,1,0,0,0,0|3,0,0]=4 5511 B11R0.70 CNC(=O)CCN(C)CCCO 269982a_100000750875_100011215043 [0,1,0,0,0,0|3,0,0]=4 5512 B11R0.70 CNC(=O)CCN(C)CCOC 2230a_100000743101_100000737683 [0,1,0,0,0,0|3,0,0]=4 5513 B11R0.70 CNC(=O)CCN(C)CCOC 2230a_100000750875_100011201679 [0,1,0,0,0,0|3,0,0]=4 5514 B11R0.70 CNC(=O)CCN(C)CCOC 240690a_100102657272_200103286627 [0,1,0,0,0,0|3,0,0]=4 5515 B11R0.70 CNC(=O)CCN(C)CCOC 269982a_100000743101_100000737683 [0,1,0,0,0,0|3,0,0]=4 5516 B11R0.70 CNC(=O)CCN(C)CCOC 269982a_100000750875_100000233755 [0,1,0,0,0,0|3,0,0]=4 5517 B11R0.70 CNC(=O)CCN(C)CCSC 2230a_100000686725_100000737683 [0,1,0,0,0,0|3,0,0]=4 5518 B11R0.70 CNC(=O)CCN(C)CCSC 2230a_100000750875_100000751147 [0,1,0,0,0,0|3,0,0]=4 5519 B11R0.70 CNC(=O)CCN(C)CCSC 269982a_100000686725_100000737683 [0,1,0,0,0,0|3,0,0]=4 5520 B11R0.70 CNC(=O)CCN(C)CCSC 269982a_100000750875_100000212216 [0,1,0,0,0,0|3,0,0]=4 5521 B11R0.70 CNC(=O)CNC(C)CCOC 270004a_100000693194_100000742357 [0,1,0,0,0,0|3,0,0]=4 5522 B11R0.70 CNC(=O)CNC(C)CCSC 270004a_100000693194_100011217047 [0,1,0,0,0,0|3,0,0]=4 5523 B11R0.70 CNC(=O)COC(C)CCCCl 34a_200000718107_100000183359 [0,1,0,0,0,0|3,0,0]=4 5524 B11R0.70 CNC(=O)COC(C)CCCCl 7a_200000718107_100000183359 [0,1,0,0,0,0|3,0,0]=4 5525 B11R0.70 CNC(=O)NC[C@H](C)CCCO 2708a_100102657272_100160569302 [0,1,0,0,0,0|3,0,0]=4 5526 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100102657272_100160569302 [0,1,0,0,0,0|3,0,0]=4 5527 B11R0.70 CNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100102657272 [0,1,0,0,0,0|3,0,0]=4 5528 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_100160569302_100102657272 [0,1,0,0,0,0|3,0,0]=4 5529 B11R0.70 CNC(=O)NC[C@H](C)CCCO 512a_106832991638_100160569302 [0,1,0,0,0,0|3,0,0]=4 5530 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [0,1,0,0,0,0|2,0,1]=4 5531 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [0,1,0,0,0,0|2,0,1]=4 5532 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [0,1,0,0,0,0|2,0,1]=4 5533 B11R0.70 COC(=O)CCN(C)CCCF 269982a_100025711912_100011934791 [0,1,0,0,0,0|3,0,0]=4 5534 B11R0.70 COC(=O)CCN(C)CCCO 2230a_100000213112_100000204255 [0,1,0,0,0,0|3,0,0]=4 5535 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100000213112_100000204255 [0,1,0,0,0,0|3,0,0]=4 5536 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100025711912_100011215043 [0,1,0,0,0,0|3,0,0]=4 5537 B11R0.70 COC(=O)CCN(C)CCSC 2230a_100000686725_100000204255 [0,1,0,0,0,0|3,0,0]=4 5538 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100000686725_100000204255 [0,1,0,0,0,0|3,0,0]=4 5539 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100025711912_100000212216 [0,1,0,0,0,0|3,0,0]=4 5540 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [0,1,0,0,0,0|3,0,0]=4 5541 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [0,1,0,0,0,0|3,0,0]=4 5542 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [0,1,0,0,0,0|2,0,1]=4 5543 B11R0.70 COCCN(C)CCC(=O)CF 1458a_200103286627_100015361967 [0,1,0,0,0,0|3,0,0]=4 5544 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [0,1,0,0,0,0|3,0,0]=4 5545 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [0,1,0,0,0,0|3,0,0]=4 5546 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [0,1,0,0,0,0|3,0,0]=4 5547 B11R0.70 C[C@H](CCCO)CNC(=O)CO 240690a_100160569302_100000210174 [0,1,0,0,0,0|3,0,0]=4 5548 B11R0.70 C[C@H](CCCO)CNC(=O)CO 527a_100160569302_100000210174 [0,1,0,0,0,0|3,0,0]=4 5549 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [0,1,0,0,0,0|1,0,1]=3 5550 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [0,1,0,0,0,0|1,0,1]=3 5551 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [0,1,0,0,0,0|2,0,1]=4 5552 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [0,1,0,0,0,0|2,0,1]=4 5553 B11R0.106 CCC(=O)COCCC(=O)NC 34a_100000725409_100012179268 [0,1,0,0,0,0|2,0,1]=4 5554 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [0,1,0,0,0,0|2,0,1]=4 5555 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [0,1,0,0,0,0|1,0,0]=2 5556 B11R0.106 CCC(=O)COCCC(C)OC 7a_100000764861_100000747405 [0,1,0,0,0,0|2,0,0]=3 5557 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000737683_100000747405 [0,1,0,0,0,0|2,0,1]=4 5558 B11R0.106 CCC(=O)CSCCC(=O)NC 62a_100000747405_100000737683 [0,1,0,0,0,0|2,0,1]=4 5559 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [0,1,0,0,0,0|2,0,1]=4 5560 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [0,1,0,0,0,0|2,0,1]=4 5561 B11R0.106 CCC(=O)NCCCC(=O)NC 11a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 5562 B11R0.106 CCC(=O)NCCCC(=O)NC 240690a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 5563 B11R0.106 CCC(=O)NCCCC(=O)NC 527a_100000740002_100000210414 [0,1,0,0,0,0|2,0,1]=4 5564 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [0,1,0,0,0,0|2,0,1]=4 5565 B11R0.106 CCC(=O)NCCNC(=O)CC 11a_100132302217_100000210414 [0,1,0,0,0,0|2,0,1]=4 5566 B11R0.106 CCC(=O)NCCNC(=O)CC 1626a_100132302217_100000210414 [0,1,0,0,0,0|2,0,1]=4 5567 B11R0.106 CCC(=O)NCCNC(=O)CC 240690a_100132302217_100000210414 [0,1,0,0,0,0|2,0,1]=4 5568 B11R0.106 CCC(=O)NCCNC(=O)CC 527a_100132302217_100000210414 [0,1,0,0,0,0|2,0,1]=4 5569 B11R0.106 CCC(=O)NCCNC(C)CC 34a_100132302217_100011215416 [0,1,0,0,0,0|2,0,0]=3 5570 B11R0.106 CCC(=O)NCCNC(C)CO 34a_100132302217_100012180447 [0,1,0,0,0,0|3,0,0]=4 5571 B11R0.106 CCC(=O)NCCOC(C)CC 34a_200000158885_100011215416 [0,1,0,0,0,0|2,0,0]=3 5572 B11R0.106 CCC(=O)NCCOC(C)CC 7a_200000158885_100000758301 [0,1,0,0,0,0|2,0,0]=3 5573 B11R0.106 CCC(=O)NCCOC(C)CO 34a_200000158885_100012180447 [0,1,0,0,0,0|3,0,0]=4 5574 B11R0.106 CCC(=O)NCCOC(C)CO 7a_200000158885_100012180447 [0,1,0,0,0,0|3,0,0]=4 5575 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [0,1,0,0,0,0|2,0,0]=3 5576 B11R0.106 CCC(=O)OCCOC(C)CO 7a_200000031056_100012180447 [0,1,0,0,0,0|3,0,0]=4 5577 B11R0.106 CCC(C)CCCOC(C)CC 7a_100011216074_100000758301 [0,1,0,0,0,0|2,0,1]=4 5578 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [0,1,0,0,0,0|2,0,0]=3 5579 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [0,1,0,0,0,0|2,0,0]=3 5580 B11R0.106 CCC(C)CCNCC(C)CC 2230a_100020591266_100000748023 [0,1,0,0,0,0|2,0,1]=4 5581 B11R0.106 CCC(C)CCNCC(C)CC 270004a_100020591266_100000243153 [0,1,0,0,0,0|2,0,1]=4 5582 B11R0.106 CCC(C)CCNCC(O)CC 2230a_100020591266_100011218378 [0,1,0,0,0,0|1,0,2]=4 5583 B11R0.106 CCC(C)CCNC[C@@H](C)CC 2230a_100020591266_100009816398 [0,1,0,0,0,0|2,0,1]=4 5584 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [0,1,0,0,0,0|2,0,0]=3 5585 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [0,1,0,0,0,0|2,0,0]=3 5586 B11R0.106 CCC(C)CCOCC(C)CC 7a_100011215188_100000748023 [0,1,0,0,0,0|2,0,1]=4 5587 B11R0.106 CCC(C)CCOCC(O)CC 7a_100011215188_100011218378 [0,1,0,0,0,0|1,0,2]=4 5588 B11R0.106 CCC(C)CCOC[C@@H](C)CC 7a_100011215188_100009816398 [0,1,0,0,0,0|2,0,1]=4 5589 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100000738227_100000748023 [0,1,0,0,0,0|2,0,0]=3 5590 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100020588543_100000737683 [0,1,0,0,0,0|2,0,0]=3 5591 B11R0.106 CCC(C)CNCCC(=O)NC 270004a_100000738227_100000243153 [0,1,0,0,0,0|2,0,0]=3 5592 B11R0.106 CCC(C)CNCCC(=O)NC 34a_100000738227_100000748023 [0,1,0,0,0,0|2,0,0]=3 5593 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [0,1,0,0,0,0|2,0,0]=3 5594 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [0,1,0,0,0,0|2,0,0]=3 5595 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000737683_100000748023 [0,1,0,0,0,0|2,0,0]=3 5596 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000748023_100000737683 [0,1,0,0,0,0|2,0,0]=3 5597 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [0,1,0,0,0,0|2,0,0]=3 5598 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [0,1,0,0,0,0|2,0,0]=3 5599 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [0,1,0,0,0,0|3,0,0]=4 5600 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000209981_100000741757 [0,1,0,0,0,0|2,0,0]=3 5601 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000740002_100000758301 [0,1,0,0,0,0|2,0,0]=3 5602 B11R0.106 CCC(C)NCCCC(=O)NC 34a_100000740002_100011215416 [0,1,0,0,0,0|2,0,0]=3 5603 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [0,1,0,0,0,0|2,0,0]=3 5604 B11R0.106 CCC(C)NCCCN(C)CC 2230a_100000209981_100015186262 [0,1,0,0,0,0|3,0,0]=4 5605 B11R0.106 CCC(C)NCCNC(=O)NC 34a_100015205895_100011215416 [0,1,0,0,0,0|3,0,0]=4 5606 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [0,1,0,0,0,0|2,0,0]=3 5607 B11R0.106 CCC(C)OCCCC(=O)NN 34a_100000211488_100011215416 [0,1,0,0,0,0|3,0,0]=4 5608 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [0,1,0,0,0,0|2,0,0]=3 5609 B11R0.106 CCC(C)OCCCN(C)CC 7a_100000210228_100015186262 [0,1,0,0,0,0|3,0,0]=4 5610 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [0,1,0,0,0,0|3,0,0]=4 5611 B11R0.106 CCC(C)OCCOC(=O)NC 7a_100000210228_200011997002 [0,1,0,0,0,0|3,0,0]=4 5612 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [0,1,0,0,0,0|3,0,0]=4 5613 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000741757_100000758301 [0,1,0,0,0,0|2,0,0]=3 5614 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000758301_100000741757 [0,1,0,0,0,0|2,0,0]=3 5615 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [0,1,0,0,0,0|2,0,0]=3 5616 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [0,1,0,0,0,0|2,0,0]=3 5617 B11R0.106 CCC(C)SCCCN(C)CC 62a_100000758301_100015186262 [0,1,0,0,0,0|3,0,0]=4 5618 B11R0.106 CCC(C)SCCOC(=O)NC 62a_100000758301_200011997002 [0,1,0,0,0,0|3,0,0]=4 5619 B11R0.106 CCC(C)SCCOC(=O)NC 62a_200011997002_100000758301 [0,1,0,0,0,0|3,0,0]=4 5620 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100000738227_100011218378 [0,1,0,0,0,0|2,0,0]=3 5621 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100011218483_100000737683 [0,1,0,0,0,0|2,0,0]=3 5622 B11R0.106 CCC(O)CNCCC(=O)NC 34a_100000738227_100011218378 [0,1,0,0,0,0|2,0,0]=3 5623 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [0,1,0,0,0,0|2,0,0]=3 5624 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [0,1,0,0,0,0|2,0,0]=3 5625 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100000737683_100011218378 [0,1,0,0,0,0|2,0,0]=3 5626 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100011218378_100000737683 [0,1,0,0,0,0|2,0,0]=3 5627 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [0,1,0,0,0,0|2,0,0]=3 5628 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [0,1,0,0,0,0|2,0,0]=3 5629 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [0,1,0,0,0,0|3,0,0]=4 5630 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [0,1,0,0,0,0|2,0,0]=3 5631 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [0,1,0,0,0,0|2,0,0]=3 5632 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [0,1,0,0,0,0|3,0,0]=4 5633 B11R0.106 CC[C@H](C)CNCCC(=O)NC 2230a_100000738227_100009816398 [0,1,0,0,0,0|2,0,0]=3 5634 B11R0.106 CC[C@H](C)CNCCC(=O)NC 34a_100000738227_100009816398 [0,1,0,0,0,0|2,0,0]=3 5635 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [0,1,0,0,0,0|2,0,0]=3 5636 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [0,1,0,0,0,0|2,0,0]=3 5637 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [0,1,0,0,0,0|2,0,0]=3 5638 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100000737683_100009816398 [0,1,0,0,0,0|2,0,0]=3 5639 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100009816398_100000737683 [0,1,0,0,0,0|2,0,0]=3 5640 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [0,1,0,0,0,0|2,0,0]=3 5641 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [0,1,0,0,0,0|2,0,0]=3 5642 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [0,1,0,0,0,0|3,0,0]=4 5643 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [0,1,0,0,0,0|2,0,1]=4 5644 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [0,1,0,0,0,0|2,0,1]=4 5645 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [0,1,0,0,0,0|2,0,1]=4 5646 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [0,1,0,0,0,0|2,0,1]=4 5647 B11R0.106 CNC(=O)CCCNC(C)CO 2230a_100000740002_100012180447 [0,1,0,0,0,0|3,0,0]=4 5648 B11R0.106 CNC(=O)CCCNC(C)CO 34a_100000740002_100012180447 [0,1,0,0,0,0|3,0,0]=4 5649 B11R0.106 CNC(=O)CCCN[C@H](C)CO 2230a_100000737577_100000741757 [0,1,0,0,0,0|3,0,0]=4 5650 B11R0.106 CNC(=O)CCCOC(C)CF 34a_100016041109_100000741757 [0,1,0,0,0,0|3,0,0]=4 5651 B11R0.106 CNC(=O)CCCOC(C)CF 7a_100016041109_100000741757 [0,1,0,0,0,0|3,0,0]=4 5652 B11R0.106 CNC(=O)CCCOC(C)CN 34a_100000210904_100000741757 [0,1,0,0,0,0|3,0,0]=4 5653 B11R0.106 CNC(=O)CCCSC(C)CO 62a_100012180447_100000741757 [0,1,0,0,0,0|3,0,0]=4 5654 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100000741757_100009879195 [0,1,0,0,0,0|3,0,0]=4 5655 B11R0.106 CNC(=O)CCCSC(C)OC 62a_100009879195_100000741757 [0,1,0,0,0,0|3,0,0]=4 5656 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100000741757_100016084084 [0,1,0,0,0,0|3,0,0]=4 5657 B11R0.106 CNC(=O)CCCS[C@H](C)CO 62a_100016084084_100000741757 [0,1,0,0,0,0|3,0,0]=4 5658 B11R0.106 CNC(=O)CCNCC(C)CO 34a_100000744482_100012179268 [0,1,0,0,0,0|3,0,0]=4 5659 B11R0.106 CNC(=O)CCNCC(O)CO 2230a_100000738227_100011219619 [0,1,0,0,0,0|3,0,0]=4 5660 B11R0.106 CNC(=O)CCNCC(O)CO 34a_100000738227_100011219619 [0,1,0,0,0,0|3,0,0]=4 5661 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 2230a_100000738227_100000059175 [0,1,0,0,0,0|3,0,0]=4 5662 B11R0.106 CNC(=O)CCNC[C@@H](C)CO 34a_100000738227_100000059175 [0,1,0,0,0,0|3,0,0]=4 5663 B11R0.106 CNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737683 [0,1,0,0,0,0|3,0,0]=4 5664 B11R0.106 CNC(=O)CCNC[C@@H](F)CO 34a_100015665980_100012179268 [0,1,0,0,0,0|3,0,0]=4 5665 B11R0.106 CNC(=O)CCNC[C@@H](O)CF 2230a_100000738227_100015614560 [0,1,0,0,0,0|3,0,0]=4 5666 B11R0.106 CNC(=O)CCNC[C@@H](O)CF 34a_100000738227_100015614560 [0,1,0,0,0,0|3,0,0]=4 5667 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 2230a_100000738227_100009815848 [0,1,0,0,0,0|3,0,0]=4 5668 B11R0.106 CNC(=O)CCNC[C@@H](O)CO 34a_100000738227_100009815848 [0,1,0,0,0,0|3,0,0]=4 5669 B11R0.106 CNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000737683 [0,1,0,0,0,0|3,0,0]=4 5670 B11R0.106 CNC(=O)CCOCC(C)CN 34a_100000744482_100012179268 [0,1,0,0,0,0|3,0,0]=4 5671 B11R0.106 CNC(=O)CCOCC(C)OC 34a_100000690652_100012179268 [0,1,0,0,0,0|3,0,0]=4 5672 B11R0.106 CNC(=O)CCOCC(Cl)CCl 34a_100000033668_100012179268 [0,1,0,0,0,0|3,0,0]=4 5673 B11R0.106 CNC(=O)CCOCC(O)CO 34a_100000754576_100011219619 [0,1,0,0,0,0|3,0,0]=4 5674 B11R0.106 CNC(=O)CCOC[C@@H](C)CO 34a_100000754576_100000059175 [0,1,0,0,0,0|3,0,0]=4 5675 B11R0.106 CNC(=O)CCOC[C@@H](O)CF 34a_100000754576_100015614560 [0,1,0,0,0,0|3,0,0]=4 5676 B11R0.106 CNC(=O)CCOC[C@@H](O)CO 34a_100000754576_100009815848 [0,1,0,0,0,0|3,0,0]=4 5677 B11R0.106 CNC(=O)CCOC[C@H](F)CN 34a_100015665980_100012179268 [0,1,0,0,0,0|3,0,0]=4 5678 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100000737683_100011219619 [0,1,0,0,0,0|3,0,0]=4 5679 B11R0.106 CNC(=O)CCSCC(O)CO 62a_100011219619_100000737683 [0,1,0,0,0,0|3,0,0]=4 5680 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737683 [0,1,0,0,0,0|3,0,0]=4 5681 B11R0.106 CNC(=O)CCSC[C@@H](C)CO 62a_100000737683_100000059175 [0,1,0,0,0,0|3,0,0]=4 5682 B11R0.106 CNC(=O)CCSC[C@@H](O)CF 62a_100000737683_100015614560 [0,1,0,0,0,0|3,0,0]=4 5683 B11R0.106 CNC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000737683 [0,1,0,0,0,0|3,0,0]=4 5684 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100000737683_100009815848 [0,1,0,0,0,0|3,0,0]=4 5685 B11R0.106 CNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000737683 [0,1,0,0,0,0|3,0,0]=4 5686 B11R0.106 CNC(=O)CNCCC(C)CO 2230a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 5687 B11R0.106 CNC(=O)CNCCC(C)CO 34a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 5688 B11R0.106 CNC(=O)COCCC(C)OC 7a_100000764861_100000183359 [0,1,0,0,0,0|3,0,0]=4 5689 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [0,1,0,0,0,0|2,0,1]=4 5690 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [0,1,0,0,0,0|2,0,1]=4 5691 B11R0.106 COC(=O)CCCN[C@H](C)CO 2230a_100000737577_100011218270 [0,1,0,0,0,0|3,0,0]=4 5692 B11R0.106 COC(=O)CCCOC(C)CF 34a_100016041109_100000742333 [0,1,0,0,0,0|3,0,0]=4 5693 B11R0.106 COC(=O)CCCOC(C)CF 7a_100016041109_100011218270 [0,1,0,0,0,0|3,0,0]=4 5694 B11R0.106 COC(=O)CCCOC(C)CN 34a_100000210904_100000742333 [0,1,0,0,0,0|3,0,0]=4 5695 B11R0.106 COC(=O)CCCSC(C)CO 62a_100012180447_100011218270 [0,1,0,0,0,0|3,0,0]=4 5696 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [0,1,0,0,0,0|3,0,0]=4 5697 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [0,1,0,0,0,0|3,0,0]=4 5698 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100011218270_100016084084 [0,1,0,0,0,0|3,0,0]=4 5699 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100016084084_100011218270 [0,1,0,0,0,0|3,0,0]=4 5700 B11R0.106 COC(=O)CCNCC(C)CO 34a_100000744482_100000742370 [0,1,0,0,0,0|3,0,0]=4 5701 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [0,1,0,0,0,0|3,0,0]=4 5702 B11R0.106 COC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000742370 [0,1,0,0,0,0|3,0,0]=4 5703 B11R0.106 COC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000204255 [0,1,0,0,0,0|3,0,0]=4 5704 B11R0.106 COC(=O)CCOCC(C)CN 34a_100000744482_100000742370 [0,1,0,0,0,0|3,0,0]=4 5705 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [0,1,0,0,0,0|3,0,0]=4 5706 B11R0.106 COC(=O)CCOCC(Cl)CCl 34a_100000033668_100000742370 [0,1,0,0,0,0|3,0,0]=4 5707 B11R0.106 COC(=O)CCOC[C@H](F)CN 34a_100015665980_100000742370 [0,1,0,0,0,0|3,0,0]=4 5708 B11R0.106 COC(=O)CCSCC(O)CO 62a_100000204255_100011219619 [0,1,0,0,0,0|3,0,0]=4 5709 B11R0.106 COC(=O)CCSCC(O)CO 62a_100011219619_100000204255 [0,1,0,0,0,0|3,0,0]=4 5710 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000204255 [0,1,0,0,0,0|3,0,0]=4 5711 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000204255_100000059175 [0,1,0,0,0,0|3,0,0]=4 5712 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100000204255_100015614560 [0,1,0,0,0,0|3,0,0]=4 5713 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000204255 [0,1,0,0,0,0|3,0,0]=4 5714 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100000204255_100009815848 [0,1,0,0,0,0|3,0,0]=4 5715 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000204255 [0,1,0,0,0,0|3,0,0]=4 5716 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [0,1,0,0,0,0|3,0,0]=4 5717 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [0,1,0,0,0,0|3,0,0]=4 5718 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [0,1,0,0,0,0|3,0,0]=4 5719 B11R0.111 C#CC(=O)CCCCCC(C)C 1458a_100000211873_100000210682 [0,1,0,0,0,0|0,0,2]=3 5720 B11R0.111 C=C(C)CCNCCC(=O)NC 2230a_100000738227_100000730704 [0,1,0,0,0,0|2,0,1]=4 5721 B11R0.111 C=C(C)CCNCCC(=O)NC 34a_100000738227_100000730704 [0,1,0,0,0,0|2,0,1]=4 5722 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000754576_100000730704 [0,1,0,0,0,0|2,0,1]=4 5723 B11R0.111 C=C(C)CCOCCC(=O)NC 34a_100000764851_100012179268 [0,1,0,0,0,0|2,0,1]=4 5724 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [0,1,0,0,0,0|2,0,1]=4 5725 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000730704_100000737683 [0,1,0,0,0,0|2,0,1]=4 5726 B11R0.111 C=C(C)CCSCCC(=O)NC 62a_100000737683_100000730704 [0,1,0,0,0,0|2,0,1]=4 5727 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [0,1,0,0,0,0|2,0,1]=4 5728 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [0,1,0,0,0,0|2,0,1]=4 5729 B11R0.111 C=C(C)CNCCCC(=O)NC 2230a_100000740002_100000748629 [0,1,0,0,0,0|2,0,1]=4 5730 B11R0.111 C=C(C)CNCCCC(=O)NC 34a_100000740002_100000748629 [0,1,0,0,0,0|2,0,1]=4 5731 B11R0.111 C=C(C)CNCCNC(=O)CC 34a_100132302217_100000748629 [0,1,0,0,0,0|2,0,1]=4 5732 B11R0.111 C=C(C)COCCCC(=O)NC 34a_100000210245_100000741757 [0,1,0,0,0,0|2,0,1]=4 5733 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [0,1,0,0,0,0|2,0,1]=4 5734 B11R0.111 C=C(C)COCCNC(=O)CC 34a_200000158885_100000748629 [0,1,0,0,0,0|2,0,1]=4 5735 B11R0.111 C=C(C)COCCNC(=O)CC 7a_200000158885_100000748629 [0,1,0,0,0,0|2,0,1]=4 5736 B11R0.111 C=C(C)COCCOC(=O)CC 7a_200000031056_100000748629 [0,1,0,0,0,0|2,0,1]=4 5737 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000741757_100000211660 [0,1,0,0,0,0|2,0,1]=4 5738 B11R0.111 C=C(C)CSCCCC(=O)NC 62a_100000748629_100000741757 [0,1,0,0,0,0|2,0,1]=4 5739 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [0,1,0,0,0,0|2,0,1]=4 5740 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [0,1,0,0,0,0|2,0,1]=4 5741 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [0,1,0,0,0,0|0,0,2]=3 5742 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,1,0,0,0,0|2,0,1]=4 5743 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,1,0,0,0,0|2,0,1]=4 5744 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [0,1,0,0,0,0|1,0,0]=2 5745 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [0,1,0,0,0,0|1,0,0]=2 5746 B11R0.111 CC(C)COCCCC(=O)NN 34a_100000211488_100000210624 [0,1,0,0,0,0|3,0,0]=4 5747 B11R0.111 CC(C)OCCCNC(=O)CO 240690a_100000737246_100000210174 [0,1,0,0,0,0|3,0,0]=4 5748 B11R0.111 CC(C)OCCCNC(=O)CO 527a_100000737246_100000210174 [0,1,0,0,0,0|3,0,0]=4 5749 B11R0.111 CC(O)COCCCC(=O)NN 34a_100000211488_100011218427 [0,1,0,0,0,0|3,0,0]=4 5750 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,1,0,0,0,0|2,0,0]=3 5751 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,0,0,0,0|1,0,1]=3 5752 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [0,1,0,0,0,0|0,0,0]=1 5753 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [0,1,0,0,0,0|0,0,0]=1 5754 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,1,0,0,0,0|2,0,0]=3 5755 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,1,0,0,0,0|1,0,1]=3 5756 B11R0.111 CCC(=O)CCCCO[N+](=O)[O-] 1458a_100000210414_100015694321 [0,1,0,0,0,0|3,0,0]=4 5757 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,1,0,0,0,0|1,0,1]=3 5758 B11R0.111 CCC(=O)COCCC=C(C)C 34a_100000725409_100011217483 [0,1,0,0,0,0|1,0,2]=4 5759 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,1,0,0,0,0|1,0,1]=3 5760 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,1,0,0,0,0|1,0,1]=3 5761 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,1,0,0,0,0|2,0,1]=4 5762 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [0,1,0,0,0,0|1,0,0]=2 5763 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [0,1,0,0,0,0|1,0,0]=2 5764 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [0,1,0,0,0,0|1,0,0]=2 5765 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [0,1,0,0,0,0|2,0,1]=4 5766 B11R0.111 CCC(=O)COCCOC(C)C 34a_100000725409_100000211751 [0,1,0,0,0,0|2,0,0]=3 5767 B11R0.111 CCC(=O)COCCOC(C)C 7a_100000211219_100000747405 [0,1,0,0,0,0|2,0,0]=3 5768 B11R0.111 CCC(=O)COCCSC(C)C 34a_100000725409_100000730970 [0,1,0,0,0,0|2,0,0]=3 5769 B11R0.111 CCC(=O)COCCSC(C)C 7a_200011212901_100000747405 [0,1,0,0,0,0|2,0,0]=3 5770 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100000747405_100011217483 [0,1,0,0,0,0|1,0,2]=4 5771 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100011217483_100000747405 [0,1,0,0,0,0|1,0,2]=4 5772 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,1,0,0,0,0|1,0,1]=3 5773 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,1,0,0,0,0|1,0,1]=3 5774 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,1,0,0,0,0|2,0,1]=4 5775 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,1,0,0,0,0|2,0,1]=4 5776 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [0,1,0,0,0,0|1,0,0]=2 5777 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [0,1,0,0,0,0|1,0,0]=2 5778 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [0,1,0,0,0,0|1,0,0]=2 5779 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [0,1,0,0,0,0|1,0,0]=2 5780 B11R0.111 CCC(=O)CSCCCN(C)C 62a_100000747405_100000757444 [0,1,0,0,0,0|2,0,0]=3 5781 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [0,1,0,0,0,0|2,0,1]=4 5782 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [0,1,0,0,0,0|2,0,1]=4 5783 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [0,1,0,0,0,0|2,0,1]=4 5784 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [0,1,0,0,0,0|2,0,1]=4 5785 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000211751_100000747405 [0,1,0,0,0,0|2,0,0]=3 5786 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000747405_100000211751 [0,1,0,0,0,0|2,0,0]=3 5787 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000730970_100000747405 [0,1,0,0,0,0|2,0,0]=3 5788 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000747405_100000730970 [0,1,0,0,0,0|2,0,0]=3 5789 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,1,0,0,0,0|2,0,1]=4 5790 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,1,0,0,0,0|2,0,1]=4 5791 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,1,0,0,0,0|2,0,1]=4 5792 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,1,0,0,0,0|2,0,1]=4 5793 B11R0.111 CCC(=O)NCCCCN(C)C 240690a_100025707445_100000210414 [0,1,0,0,0,0|2,0,0]=3 5794 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,1,0,0,0,0|2,0,1]=4 5795 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,1,0,0,0,0|2,0,1]=4 5796 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,1,0,0,0,0|2,0,1]=4 5797 B11R0.111 CCC(=O)NCCCOC(C)C 11a_100000737246_100000210414 [0,1,0,0,0,0|2,0,0]=3 5798 B11R0.111 CCC(=O)NCCCOC(C)C 1626a_100000737246_100000210414 [0,1,0,0,0,0|2,0,0]=3 5799 B11R0.111 CCC(=O)NCCCOC(C)C 240690a_100000737246_100000210414 [0,1,0,0,0,0|2,0,0]=3 5800 B11R0.111 CCC(=O)NCCCOC(C)C 527a_100000737246_100000210414 [0,1,0,0,0,0|2,0,0]=3 5801 B11R0.111 CCC(=O)NCCNCC(C)C 270004a_100132302217_100000210432 [0,1,0,0,0,0|2,0,0]=3 5802 B11R0.111 CCC(=O)NCCNCC(C)C 34a_100132302217_100000210624 [0,1,0,0,0,0|2,0,0]=3 5803 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [0,1,0,0,0,0|2,0,0]=3 5804 B11R0.111 CCC(=O)NCCNCC(F)F 34a_100132302217_100011934356 [0,1,0,0,0,0|3,0,0]=4 5805 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [0,1,0,0,0,0|2,0,0]=3 5806 B11R0.111 CCC(=O)NCCOCC(C)C 34a_200000158885_100000210624 [0,1,0,0,0,0|2,0,0]=3 5807 B11R0.111 CCC(=O)NCCOCC(C)C 7a_200000158885_100000210760 [0,1,0,0,0,0|2,0,0]=3 5808 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [0,1,0,0,0,0|2,0,0]=3 5809 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [0,1,0,0,0,0|2,0,0]=3 5810 B11R0.111 CCC(=O)NCCOCC(F)F 34a_200000158885_100011934356 [0,1,0,0,0,0|3,0,0]=4 5811 B11R0.111 CCC(=O)NCCOCC(F)F 7a_200000158885_100011934356 [0,1,0,0,0,0|3,0,0]=4 5812 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [0,1,0,0,0,0|2,0,0]=3 5813 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [0,1,0,0,0,0|2,0,0]=3 5814 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [0,1,0,0,0,0|2,0,0]=3 5815 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [0,1,0,0,0,0|2,0,0]=3 5816 B11R0.111 CCC(=O)OCCOCC(F)F 7a_200000031056_100011934356 [0,1,0,0,0,0|3,0,0]=4 5817 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [0,1,0,0,0,0|2,0,0]=3 5818 B11R0.111 CCC(C)CCCOCC(C)C 7a_100011216074_100000210760 [0,1,0,0,0,0|2,0,1]=4 5819 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,1,0,0,0,0|2,0,1]=4 5820 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,1,0,0,0,0|2,0,1]=4 5821 B11R0.111 CCC(C)CCNCCC(C)C 2230a_100020591266_100000210312 [0,1,0,0,0,0|2,0,1]=4 5822 B11R0.111 CCC(C)CCNCCC(C)C 269862a_100020591266_100000185833 [0,1,0,0,0,0|2,0,1]=4 5823 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,1,0,0,0,0|2,0,1]=4 5824 B11R0.111 CCC(C)CCOCCC(C)C 7a_100011215188_100000210626 [0,1,0,0,0,0|2,0,1]=4 5825 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,1,0,0,0,0|2,0,1]=4 5826 B11R0.111 CCC(C)CNCCCC(C)C 2230a_100020588543_100011214892 [0,1,0,0,0,0|2,0,1]=4 5827 B11R0.111 CCC(C)CNCCCC(C)C 2230a_200000737386_100000748023 [0,1,0,0,0,0|2,0,1]=4 5828 B11R0.111 CCC(C)CNCCCC(C)C 270004a_200000737386_100000243153 [0,1,0,0,0,0|2,0,1]=4 5829 B11R0.111 CCC(C)CNCCCC(C)C 34a_200000737386_100000748023 [0,1,0,0,0,0|2,0,1]=4 5830 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,1,0,0,0,0|2,0,1]=4 5831 B11R0.111 CCC(C)COCCCC(C)C 34a_100000210774_100000748023 [0,1,0,0,0,0|2,0,1]=4 5832 B11R0.111 CCC(C)COCCCC(C)C 7a_100000210774_100000748023 [0,1,0,0,0,0|2,0,1]=4 5833 B11R0.111 CCC(C)CSCCCC(C)C 62a_100000748023_100011214892 [0,1,0,0,0,0|2,0,1]=4 5834 B11R0.111 CCC(C)CSCCCC(C)C 62a_100011214892_100000748023 [0,1,0,0,0,0|2,0,1]=4 5835 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,1,0,0,0,0|2,0,1]=4 5836 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,1,0,0,0,0|2,0,1]=4 5837 B11R0.111 CCC(C)NCCCCC(C)C 2230a_100000209981_100011216152 [0,1,0,0,0,0|2,0,1]=4 5838 B11R0.111 CCC(C)OCCCCC(C)C 34a_100011214890_100011215416 [0,1,0,0,0,0|2,0,1]=4 5839 B11R0.111 CCC(C)OCCCCC(C)C 7a_100000210228_100011216152 [0,1,0,0,0,0|2,0,1]=4 5840 B11R0.111 CCC(C)OCCCCC(C)C 7a_100011214890_100000758301 [0,1,0,0,0,0|2,0,1]=4 5841 B11R0.111 CCC(C)SCCCCC(C)C 62a_100000758301_100011216152 [0,1,0,0,0,0|2,0,1]=4 5842 B11R0.111 CCC(C)SCCCCC(C)C 62a_100011216152_100000758301 [0,1,0,0,0,0|2,0,1]=4 5843 B11R0.111 CCC(O)CNCCCC(C)C 2230a_100011218483_100011214892 [0,1,0,0,0,0|1,0,2]=4 5844 B11R0.111 CCC(O)CNCCCC(C)C 2230a_200000737386_100011218378 [0,1,0,0,0,0|1,0,2]=4 5845 B11R0.111 CCC(O)CNCCCC(C)C 34a_200000737386_100011218378 [0,1,0,0,0,0|1,0,2]=4 5846 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,1,0,0,0,0|1,0,2]=4 5847 B11R0.111 CCC(O)COCCCC(C)C 34a_100000210774_100011218378 [0,1,0,0,0,0|1,0,2]=4 5848 B11R0.111 CCC(O)COCCCC(C)C 7a_100000210774_100011218378 [0,1,0,0,0,0|1,0,2]=4 5849 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011214892_100011218378 [0,1,0,0,0,0|1,0,2]=4 5850 B11R0.111 CCC(O)CSCCCC(C)C 62a_100011218378_100011214892 [0,1,0,0,0,0|1,0,2]=4 5851 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,1,0,0,0,0|1,0,2]=4 5852 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,1,0,0,0,0|1,0,2]=4 5853 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [0,1,0,0,0,0|2,0,0]=3 5854 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [0,1,0,0,0,0|2,0,0]=3 5855 B11R0.111 CCN(C)CCCNCC(C)C 2230a_100000210953_100015186262 [0,1,0,0,0,0|3,0,0]=4 5856 B11R0.111 CCN(C)CCCNCC(C)O 2230a_100000210904_100015186262 [0,1,0,0,0,0|3,0,0]=4 5857 B11R0.111 CCN(C)CCCSCC(C)C 62a_100000210624_100015186262 [0,1,0,0,0,0|3,0,0]=4 5858 B11R0.111 CCN(C)CCCSCC(C)O 62a_100011218427_100015186262 [0,1,0,0,0,0|3,0,0]=4 5859 B11R0.111 CCN(C)CCCSC[C@@H](C)O 62a_100009817552_100015186262 [0,1,0,0,0,0|3,0,0]=4 5860 B11R0.111 CC[C@H](C)CNCCCC(C)C 2230a_200000737386_100009816398 [0,1,0,0,0,0|2,0,1]=4 5861 B11R0.111 CC[C@H](C)CNCCCC(C)C 34a_200000737386_100009816398 [0,1,0,0,0,0|2,0,1]=4 5862 B11R0.111 CC[C@H](C)COCCCC(C)C 34a_100000210774_100009816398 [0,1,0,0,0,0|2,0,1]=4 5863 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100000210774_100009816398 [0,1,0,0,0,0|2,0,1]=4 5864 B11R0.111 CC[C@H](C)COCCCC(C)C 7a_100009816381_100011214892 [0,1,0,0,0,0|2,0,1]=4 5865 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,1,0,0,0,0|2,0,1]=4 5866 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100009816398_100011214892 [0,1,0,0,0,0|2,0,1]=4 5867 B11R0.111 CC[C@H](C)CSCCCC(C)C 62a_100011214892_100009816398 [0,1,0,0,0,0|2,0,1]=4 5868 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,1,0,0,0,0|2,0,1]=4 5869 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,1,0,0,0,0|2,0,1]=4 5870 B11R0.111 CN(C)CCCCNC(=O)CO 240690a_100025707445_100000210174 [0,1,0,0,0,0|3,0,0]=4 5871 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [0,1,0,0,0,0|1,0,0]=2 5872 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 5873 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 5874 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [0,1,0,0,0,0|1,0,0]=2 5875 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 11a_106832991635_100000043470 [0,1,0,0,0,0|3,0,0]=4 5876 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 1626a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 5877 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 240690a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 5878 B11R0.111 CNC(=O)CCCCC[N+](=O)[O-] 527a_100102657272_100000043470 [0,1,0,0,0,0|3,0,0]=4 5879 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000210953_100000741757 [0,1,0,0,0,0|2,0,0]=3 5880 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000740002_100000210760 [0,1,0,0,0,0|2,0,0]=3 5881 B11R0.111 CNC(=O)CCCNCC(C)C 270004a_100000740002_100000210432 [0,1,0,0,0,0|2,0,0]=3 5882 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000210953_100000741757 [0,1,0,0,0,0|2,0,0]=3 5883 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000740002_100000210624 [0,1,0,0,0,0|2,0,0]=3 5884 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000210904_100000741757 [0,1,0,0,0,0|2,0,0]=3 5885 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000740002_100011218427 [0,1,0,0,0,0|2,0,0]=3 5886 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000210904_100000741757 [0,1,0,0,0,0|2,0,0]=3 5887 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000740002_100011218427 [0,1,0,0,0,0|2,0,0]=3 5888 B11R0.111 CNC(=O)CCCNCC(F)F 2230a_100000740002_100011934356 [0,1,0,0,0,0|3,0,0]=4 5889 B11R0.111 CNC(=O)CCCNCC(F)F 34a_100000740002_100011934356 [0,1,0,0,0,0|3,0,0]=4 5890 B11R0.111 CNC(=O)CCCNCC(F)F 34a_100000765723_100000741757 [0,1,0,0,0,0|3,0,0]=4 5891 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 2230a_100000740002_100009817552 [0,1,0,0,0,0|2,0,0]=3 5892 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 34a_100000740002_100009817552 [0,1,0,0,0,0|2,0,0]=3 5893 B11R0.111 CNC(=O)CCCOCC(=O)C 34a_100000211253_100000741757 [0,1,0,0,0,0|2,0,1]=4 5894 B11R0.111 CNC(=O)CCCOCC(C)Br 34a_100012180447_100000741757 [0,1,0,0,0,0|2,0,0]=3 5895 B11R0.111 CNC(=O)CCCOCC(C)C 34a_100000210257_100000741757 [0,1,0,0,0,0|2,0,0]=3 5896 B11R0.111 CNC(=O)CCCOCC(C)F 34a_100015925927_100000741757 [0,1,0,0,0,0|2,0,0]=3 5897 B11R0.111 CNC(=O)CCCOCC(F)F 34a_100000743014_100000741757 [0,1,0,0,0,0|3,0,0]=4 5898 B11R0.111 CNC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000741757 [0,1,0,0,0,0|2,0,0]=3 5899 B11R0.111 CNC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000741757 [0,1,0,0,0,0|2,0,0]=3 5900 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000210624_100000741757 [0,1,0,0,0,0|2,0,0]=3 5901 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000741757_100000210760 [0,1,0,0,0,0|2,0,0]=3 5902 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100000741757_100011218427 [0,1,0,0,0,0|2,0,0]=3 5903 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100011218427_100000741757 [0,1,0,0,0,0|2,0,0]=3 5904 B11R0.111 CNC(=O)CCCSCC(F)F 62a_100000741757_100011934356 [0,1,0,0,0,0|3,0,0]=4 5905 B11R0.111 CNC(=O)CCCSCC(F)F 62a_100011934356_100000741757 [0,1,0,0,0,0|3,0,0]=4 5906 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100000741757_100009817552 [0,1,0,0,0,0|2,0,0]=3 5907 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100009817552_100000741757 [0,1,0,0,0,0|2,0,0]=3 5908 B11R0.111 CNC(=O)CCNCCC(C)C 2230a_100000738227_100000210312 [0,1,0,0,0,0|2,0,0]=3 5909 B11R0.111 CNC(=O)CCNCCC(C)C 269862a_100000738227_100000185833 [0,1,0,0,0,0|2,0,0]=3 5910 B11R0.111 CNC(=O)CCNCCC(C)C 34a_100000738227_100000210312 [0,1,0,0,0,0|2,0,0]=3 5911 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_100000738227_100012276601 [0,1,0,0,0,0|2,0,0]=3 5912 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_200000755665_100000737683 [0,1,0,0,0,0|2,0,0]=3 5913 B11R0.111 CNC(=O)CCNCCC(C)O 34a_100000738227_100012276601 [0,1,0,0,0,0|2,0,0]=3 5914 B11R0.111 CNC(=O)CCNCOC(C)C 2230a_100000738227_100000709892 [0,1,0,0,0,0|3,0,0]=4 5915 B11R0.111 CNC(=O)CCNCOC(C)C 34a_100000738227_100000709892 [0,1,0,0,0,0|3,0,0]=4 5916 B11R0.111 CNC(=O)CCOCCC(=O)C 34a_100000759926_100012179268 [0,1,0,0,0,0|2,0,1]=4 5917 B11R0.111 CNC(=O)CCOCCC(=O)C 7a_100000759926_100000737683 [0,1,0,0,0,0|2,0,1]=4 5918 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [0,1,0,0,0,0|2,0,0]=3 5919 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [0,1,0,0,0,0|2,0,0]=3 5920 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [0,1,0,0,0,0|2,0,0]=3 5921 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [0,1,0,0,0,0|2,0,0]=3 5922 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [0,1,0,0,0,0|2,0,0]=3 5923 B11R0.111 CNC(=O)CCOCCC(F)F 34a_100103093639_100012179268 [0,1,0,0,0,0|3,0,0]=4 5924 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [0,1,0,0,0,0|2,0,0]=3 5925 B11R0.111 CNC(=O)CCOCOC(C)C 34a_100000754576_100000709892 [0,1,0,0,0,0|3,0,0]=4 5926 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000053229_100000737683 [0,1,0,0,0,0|2,0,1]=4 5927 B11R0.111 CNC(=O)CCSCCC(=O)C 62a_100000737683_100000053229 [0,1,0,0,0,0|2,0,1]=4 5928 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000210312_100000737683 [0,1,0,0,0,0|2,0,0]=3 5929 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000737683_100000210312 [0,1,0,0,0,0|2,0,0]=3 5930 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100000737683_100012276601 [0,1,0,0,0,0|2,0,0]=3 5931 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100012276601_100000737683 [0,1,0,0,0,0|2,0,0]=3 5932 B11R0.111 CNC(=O)CCSCCN(C)C 62a_100000737683_100000755713 [0,1,0,0,0,0|3,0,0]=4 5933 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000709892_100000737683 [0,1,0,0,0,0|3,0,0]=4 5934 B11R0.111 CNC(=O)CCSCOC(C)C 62a_100000737683_100000709892 [0,1,0,0,0,0|3,0,0]=4 5935 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [0,1,0,0,0,0|2,0,0]=3 5936 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [0,1,0,0,0,0|2,0,0]=3 5937 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [0,1,0,0,0,0|2,0,0]=3 5938 B11R0.111 CNC(=O)CNCCCC(C)O 2230a_100000693194_200000718107 [0,1,0,0,0,0|2,0,0]=3 5939 B11R0.111 CNC(=O)CNCCCS(=O)C 2230a_200000753449_100000183359 [0,1,0,0,0,0|3,0,0]=4 5940 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000693194_100000211751 [0,1,0,0,0,0|3,0,0]=4 5941 B11R0.111 CNC(=O)CNCCOC(C)C 2230a_100000701111_100000183359 [0,1,0,0,0,0|3,0,0]=4 5942 B11R0.111 CNC(=O)CNCCOC(C)C 34a_100000701111_100000183359 [0,1,0,0,0,0|3,0,0]=4 5943 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000693194_100000730970 [0,1,0,0,0,0|3,0,0]=4 5944 B11R0.111 CNC(=O)CNCCSC(C)C 2230a_100000731138_100000183359 [0,1,0,0,0,0|3,0,0]=4 5945 B11R0.111 CNC(=O)CNCCSC(C)C 34a_100000731138_100000183359 [0,1,0,0,0,0|3,0,0]=4 5946 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000750040_100000685027 [0,1,0,0,0,0|2,0,1]=4 5947 B11R0.111 CNC(=O)COCCCC(=O)C 34a_100000759063_100000183359 [0,1,0,0,0,0|2,0,1]=4 5948 B11R0.111 CNC(=O)COCCCC(=O)C 7a_100000759063_100000183359 [0,1,0,0,0,0|2,0,1]=4 5949 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [0,1,0,0,0,0|2,0,0]=3 5950 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [0,1,0,0,0,0|2,0,0]=3 5951 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [0,1,0,0,0,0|2,0,0]=3 5952 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [0,1,0,0,0,0|2,0,0]=3 5953 B11R0.111 CNC(=O)COCCNC(C)C 34a_100000224655_100000183359 [0,1,0,0,0,0|3,0,0]=4 5954 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000211219_100000183359 [0,1,0,0,0,0|3,0,0]=4 5955 B11R0.111 CNC(=O)COCCOC(C)C 34a_100000750040_100000211751 [0,1,0,0,0,0|3,0,0]=4 5956 B11R0.111 CNC(=O)COCCOC(C)C 7a_100000211219_100000183359 [0,1,0,0,0,0|3,0,0]=4 5957 B11R0.111 CNC(=O)COCCSC(C)C 34a_100000750040_100000730970 [0,1,0,0,0,0|3,0,0]=4 5958 B11R0.111 CNC(=O)COCCSC(C)C 34a_200011212901_100000183359 [0,1,0,0,0,0|3,0,0]=4 5959 B11R0.111 CNC(=O)COCCSC(C)C 7a_200011212901_100000183359 [0,1,0,0,0,0|3,0,0]=4 5960 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100000183359_100011215641 [0,1,0,0,0,0|2,0,1]=4 5961 B11R0.111 CNC(=O)CSCCCC(=O)C 62a_100011215641_100000183359 [0,1,0,0,0,0|2,0,1]=4 5962 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [0,1,0,0,0,0|2,0,0]=3 5963 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [0,1,0,0,0,0|2,0,0]=3 5964 B11R0.111 CNC(=O)CSCCCC(C)O 62a_100000183359_200000718107 [0,1,0,0,0,0|2,0,0]=3 5965 B11R0.111 CNC(=O)CSCCCC(C)O 62a_200000718107_100000183359 [0,1,0,0,0,0|2,0,0]=3 5966 B11R0.111 CNC(=O)CSCCCN(C)C 62a_100000183359_100000757444 [0,1,0,0,0,0|3,0,0]=4 5967 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000183359_100000211751 [0,1,0,0,0,0|3,0,0]=4 5968 B11R0.111 CNC(=O)CSCCOC(C)C 62a_100000211751_100000183359 [0,1,0,0,0,0|3,0,0]=4 5969 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000183359_100000730970 [0,1,0,0,0,0|3,0,0]=4 5970 B11R0.111 CNC(=O)CSCCSC(C)C 62a_100000730970_100000183359 [0,1,0,0,0,0|3,0,0]=4 5971 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100025707445_106832991635 [0,1,0,0,0,0|3,0,0]=4 5972 B11R0.111 CNC(=O)NCCCCN(C)C 2708a_100102657272_100025707445 [0,1,0,0,0,0|3,0,0]=4 5973 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100025707445_100102657272 [0,1,0,0,0,0|3,0,0]=4 5974 B11R0.111 CNC(=O)NCCCCN(C)C 273464a_100102657272_100025707445 [0,1,0,0,0,0|3,0,0]=4 5975 B11R0.111 CNC(=O)NCCCCN(C)C 512a_100025707445_100102657272 [0,1,0,0,0,0|3,0,0]=4 5976 B11R0.111 CNC(=O)NCCCCN(C)C 512a_106832991638_100025707445 [0,1,0,0,0,0|3,0,0]=4 5977 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100000737246_106832991635 [0,1,0,0,0,0|3,0,0]=4 5978 B11R0.111 CNC(=O)NCCCOC(C)C 2708a_100102657272_100000737246 [0,1,0,0,0,0|3,0,0]=4 5979 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100000737246_100102657272 [0,1,0,0,0,0|3,0,0]=4 5980 B11R0.111 CNC(=O)NCCCOC(C)C 273464a_100102657272_100000737246 [0,1,0,0,0,0|3,0,0]=4 5981 B11R0.111 CNC(=O)NCCCOC(C)C 512a_100000737246_100102657272 [0,1,0,0,0,0|3,0,0]=4 5982 B11R0.111 CNC(=O)NCCCOC(C)C 512a_106832991638_100000737246 [0,1,0,0,0,0|3,0,0]=4 5983 B11R0.111 CNC(=O)NCCNCC(C)C 34a_100015205895_100000210624 [0,1,0,0,0,0|3,0,0]=4 5984 B11R0.111 CNC(=O)NCCNCC(C)O 34a_100015205895_100011218427 [0,1,0,0,0,0|3,0,0]=4 5985 B11R0.111 CNC(=O)NCCNC[C@@H](C)O 34a_100015205895_100009817552 [0,1,0,0,0,0|3,0,0]=4 5986 B11R0.111 CNC(=O)OCCNCC(C)C 34a_100000210953_200011997002 [0,1,0,0,0,0|3,0,0]=4 5987 B11R0.111 CNC(=O)OCCNCC(C)O 34a_100000210904_200011997002 [0,1,0,0,0,0|3,0,0]=4 5988 B11R0.111 CNC(=O)OCCOCC(C)Br 34a_100012180447_200011997002 [0,1,0,0,0,0|3,0,0]=4 5989 B11R0.111 CNC(=O)OCCOCC(C)C 34a_100000210257_200011997002 [0,1,0,0,0,0|3,0,0]=4 5990 B11R0.111 CNC(=O)OCCOCC(C)F 34a_100015925927_200011997002 [0,1,0,0,0,0|3,0,0]=4 5991 B11R0.111 CNC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_200011997002 [0,1,0,0,0,0|3,0,0]=4 5992 B11R0.111 CNC(=O)OCCOC[C@@H](C)N 34a_100000737577_200011997002 [0,1,0,0,0,0|3,0,0]=4 5993 B11R0.111 CNC(=O)OCCSCC(C)C 62a_100000210624_200011997002 [0,1,0,0,0,0|3,0,0]=4 5994 B11R0.111 CNC(=O)OCCSCC(C)C 62a_200011997002_100000210760 [0,1,0,0,0,0|3,0,0]=4 5995 B11R0.111 CNC(=O)OCCSCC(C)O 62a_100011218427_200011997002 [0,1,0,0,0,0|3,0,0]=4 5996 B11R0.111 CNC(=O)OCCSCC(C)O 62a_200011997002_100011218427 [0,1,0,0,0,0|3,0,0]=4 5997 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_100009817552_200011997002 [0,1,0,0,0,0|3,0,0]=4 5998 B11R0.111 CNC(=O)OCCSC[C@@H](C)O 62a_200011997002_100009817552 [0,1,0,0,0,0|3,0,0]=4 5999 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,0|1,0,1]=3 6000 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,0|1,0,1]=3 6001 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,0|1,0,1]=3 6002 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [0,1,0,0,0,0|2,0,0]=3 6003 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [0,1,0,0,0,0|2,0,0]=3 6004 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,1,0,0,0,0|2,0,1]=4 6005 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [0,1,0,0,0,0|2,0,0]=3 6006 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [0,1,0,0,0,0|2,0,0]=3 6007 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [0,1,0,0,0,0|2,0,0]=3 6008 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [0,1,0,0,0,0|2,0,0]=3 6009 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [0,1,0,0,0,0|2,0,0]=3 6010 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [0,1,0,0,0,0|2,0,0]=3 6011 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [0,1,0,0,0,0|2,0,0]=3 6012 B11R0.111 COC(=O)CCCNCC(C)C 2230a_100000210953_100011218270 [0,1,0,0,0,0|2,0,0]=3 6013 B11R0.111 COC(=O)CCCNCC(C)C 34a_100000210953_100000742333 [0,1,0,0,0,0|2,0,0]=3 6014 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [0,1,0,0,0,0|2,0,0]=3 6015 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [0,1,0,0,0,0|2,0,0]=3 6016 B11R0.111 COC(=O)CCCNCC(F)F 34a_100000765723_100000742333 [0,1,0,0,0,0|3,0,0]=4 6017 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,1,0,0,0,0|2,0,1]=4 6018 B11R0.111 COC(=O)CCCOCC(C)Br 34a_100012180447_100000742333 [0,1,0,0,0,0|2,0,0]=3 6019 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [0,1,0,0,0,0|2,0,0]=3 6020 B11R0.111 COC(=O)CCCOCC(C)F 34a_100015925927_100000742333 [0,1,0,0,0,0|2,0,0]=3 6021 B11R0.111 COC(=O)CCCOCC(F)F 34a_100000743014_100000742333 [0,1,0,0,0,0|3,0,0]=4 6022 B11R0.111 COC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000742333 [0,1,0,0,0,0|2,0,0]=3 6023 B11R0.111 COC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000742333 [0,1,0,0,0,0|2,0,0]=3 6024 B11R0.111 COC(=O)CCCSCC(C)C 62a_100000210624_100011218270 [0,1,0,0,0,0|2,0,0]=3 6025 B11R0.111 COC(=O)CCCSCC(C)C 62a_100011218270_100000210760 [0,1,0,0,0,0|2,0,0]=3 6026 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [0,1,0,0,0,0|2,0,0]=3 6027 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [0,1,0,0,0,0|2,0,0]=3 6028 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011218270_100011934356 [0,1,0,0,0,0|3,0,0]=4 6029 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011934356_100011218270 [0,1,0,0,0,0|3,0,0]=4 6030 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [0,1,0,0,0,0|2,0,0]=3 6031 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [0,1,0,0,0,0|2,0,0]=3 6032 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [0,1,0,0,0,0|2,0,0]=3 6033 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,1,0,0,0,0|2,0,1]=4 6034 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,1,0,0,0,0|2,0,1]=4 6035 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [0,1,0,0,0,0|2,0,0]=3 6036 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [0,1,0,0,0,0|2,0,0]=3 6037 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [0,1,0,0,0,0|2,0,0]=3 6038 B11R0.111 COC(=O)CCOCCC(F)F 34a_100103093639_100000742370 [0,1,0,0,0,0|3,0,0]=4 6039 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [0,1,0,0,0,0|2,0,0]=3 6040 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,1,0,0,0,0|2,0,1]=4 6041 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,1,0,0,0,0|2,0,1]=4 6042 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [0,1,0,0,0,0|2,0,0]=3 6043 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [0,1,0,0,0,0|2,0,0]=3 6044 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [0,1,0,0,0,0|2,0,0]=3 6045 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [0,1,0,0,0,0|2,0,0]=3 6046 B11R0.111 COC(=O)CCSCCN(C)C 62a_100000204255_100000755713 [0,1,0,0,0,0|3,0,0]=4 6047 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000204255_100000709892 [0,1,0,0,0,0|3,0,0]=4 6048 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000709892_100000204255 [0,1,0,0,0,0|3,0,0]=4 6049 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [0,1,0,0,0,0|2,0,0]=3 6050 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [0,1,0,0,0,0|2,0,0]=3 6051 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [0,1,0,0,0,0|3,0,0]=4 6052 B11R0.111 COC(=O)CNCCOC(C)C 2230a_100000701111_100000747449 [0,1,0,0,0,0|3,0,0]=4 6053 B11R0.111 COC(=O)CNCCOC(C)C 34a_100000701111_100000747449 [0,1,0,0,0,0|3,0,0]=4 6054 B11R0.111 COC(=O)CNCCSC(C)C 2230a_100000731138_100000747449 [0,1,0,0,0,0|3,0,0]=4 6055 B11R0.111 COC(=O)CNCCSC(C)C 34a_100000731138_100000747449 [0,1,0,0,0,0|3,0,0]=4 6056 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,1,0,0,0,0|2,0,1]=4 6057 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,1,0,0,0,0|2,0,1]=4 6058 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [0,1,0,0,0,0|2,0,0]=3 6059 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [0,1,0,0,0,0|2,0,0]=3 6060 B11R0.111 COC(=O)COCCNC(C)C 2230a_100138425928_100000090808 [0,1,0,0,0,0|3,0,0]=4 6061 B11R0.111 COC(=O)COCCNC(C)C 34a_100000224655_100000747449 [0,1,0,0,0,0|3,0,0]=4 6062 B11R0.111 COC(=O)COCCNC(C)C 34a_100138425928_100000090808 [0,1,0,0,0,0|3,0,0]=4 6063 B11R0.111 COC(=O)COCCOC(C)C 34a_100000211219_100000747449 [0,1,0,0,0,0|3,0,0]=4 6064 B11R0.111 COC(=O)COCCOC(C)C 34a_100000212225_100000090808 [0,1,0,0,0,0|3,0,0]=4 6065 B11R0.111 COC(=O)COCCOC(C)C 7a_100000211219_100000747449 [0,1,0,0,0,0|3,0,0]=4 6066 B11R0.111 COC(=O)COCCSC(C)C 34a_200011212901_100000747449 [0,1,0,0,0,0|3,0,0]=4 6067 B11R0.111 COC(=O)COCCSC(C)C 62a_100000090808_100000210206 [0,1,0,0,0,0|3,0,0]=4 6068 B11R0.111 COC(=O)COCCSC(C)C 62a_100000210206_100000090808 [0,1,0,0,0,0|3,0,0]=4 6069 B11R0.111 COC(=O)COCCSC(C)C 7a_200011212901_100000747449 [0,1,0,0,0,0|3,0,0]=4 6070 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,1,0,0,0,0|2,0,1]=4 6071 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,1,0,0,0,0|2,0,1]=4 6072 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [0,1,0,0,0,0|2,0,0]=3 6073 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [0,1,0,0,0,0|2,0,0]=3 6074 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [0,1,0,0,0,0|2,0,0]=3 6075 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [0,1,0,0,0,0|2,0,0]=3 6076 B11R0.111 COC(=O)CSCCCN(C)C 62a_100000747449_100000757444 [0,1,0,0,0,0|3,0,0]=4 6077 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000211751_100000747449 [0,1,0,0,0,0|3,0,0]=4 6078 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000747449_100000211751 [0,1,0,0,0,0|3,0,0]=4 6079 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000730970_100000747449 [0,1,0,0,0,0|3,0,0]=4 6080 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000747449_100000730970 [0,1,0,0,0,0|3,0,0]=4 6081 B11R0.111 COC(=O)NCCOCC(C)C 34a_100000757965_100000210624 [0,1,0,0,0,0|3,0,0]=4 6082 B11R0.111 COC(=O)NCCOCC(C)O 34a_100000757965_100011218427 [0,1,0,0,0,0|3,0,0]=4 6083 B11R0.111 COC(=O)NCCOC[C@@H](C)O 34a_100000757965_100009817552 [0,1,0,0,0,0|3,0,0]=4 6084 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [0,1,0,0,0,0|3,0,0]=4 6085 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [0,1,0,0,0,0|3,0,0]=4 6086 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [0,1,0,0,0,0|3,0,0]=4 6087 B11R0.111 COC(=O)OCSCCC(C)C 62a_100000210312_100000139417 [0,1,0,0,0,0|3,0,0]=4 6088 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [0,1,0,0,0,0|3,0,0]=4 6089 B11R0.111 C[C@@H](O)COCCCC(=O)NN 34a_100000211488_100009817552 [0,1,0,0,0,0|3,0,0]=4 6090 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,1,0,0,0,0|2,0,1]=4 6091 B11R0.111 O=C(CF)CCCCC[N+](=O)[O-] 1458a_100000043470_100015361967 [0,1,0,0,0,0|3,0,0]=4 6092 B11R0.111 O=C(CO)CCCCCB(O)O 1458a_100000210174_200009817188 [0,1,0,0,0,0|3,0,0]=4 6093 B11R0.124 C#CC(CC)OCCCCCC 34a_100000758843_100000210314 [0,1,0,0,0,0|2,0,1]=4 6094 B11R0.124 C#CC(CC)OCCCCCC 7a_100000758843_100000210314 [0,1,0,0,0,0|2,0,1]=4 6095 B11R0.124 C=CC(=NNCCCCC)CC 4a_100000694160_100000747743 [0,1,0,0,0,0|3,0,0]=4 6096 B11R0.124 C=CC(CC)OCCCCCC 34a_100000766422_100000210314 [0,1,0,0,0,0|2,0,1]=4 6097 B11R0.124 C=CC(CC)OCCCCCC 7a_100000766422_100000210314 [0,1,0,0,0,0|2,0,1]=4 6098 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [0,1,0,0,0,0|2,0,1]=4 6099 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [0,1,0,0,0,0|2,0,1]=4 6100 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [0,1,0,0,0,0|2,0,1]=4 6101 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [0,1,0,0,0,0|2,0,1]=4 6102 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [0,1,0,0,0,0|1,0,1]=3 6103 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [0,1,0,0,0,0|0,0,2]=3 6104 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [0,1,0,0,0,0|0,0,2]=3 6105 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [0,1,0,0,0,0|0,0,2]=3 6106 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [0,1,0,0,0,0|0,0,2]=3 6107 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [0,1,0,0,0,0|2,0,0]=3 6108 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [0,1,0,0,0,0|2,0,0]=3 6109 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [0,1,0,0,0,0|2,0,0]=3 6110 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [0,1,0,0,0,0|2,0,0]=3 6111 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [0,1,0,0,0,0|2,0,0]=3 6112 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [0,1,0,0,0,0|2,0,0]=3 6113 B11R0.124 CCCCCCNC(CC)CC 2230a_100000199018_100000210314 [0,1,0,0,0,0|2,0,1]=4 6114 B11R0.124 CCCCCCNC(CC)CC 270004a_100000210581_100000210860 [0,1,0,0,0,0|2,0,1]=4 6115 B11R0.124 CCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210314 [0,1,0,0,0,0|1,0,2]=4 6116 B11R0.124 CCCCCCOC(CC)CC 7a_100000210259_100000210505 [0,1,0,0,0,0|2,0,1]=4 6117 B11R0.124 CCCCCCOC(CC)CC 7a_100000688536_100000210314 [0,1,0,0,0,0|2,0,1]=4 6118 B11R0.124 CCCCCCSC(CC)CC 62a_100000210314_100000210505 [0,1,0,0,0,0|2,0,1]=4 6119 B11R0.124 CCCCCCSC(CC)CC 62a_100000210505_100000210757 [0,1,0,0,0,0|2,0,1]=4 6120 B11R0.124 CCCCCNCC(CC)CC 2230a_100000209983_100011215472 [0,1,0,0,0,0|2,0,1]=4 6121 B11R0.124 CCCCCNCC(CC)CC 2230a_100102946423_100000210326 [0,1,0,0,0,0|2,0,1]=4 6122 B11R0.124 CCCCCNCC(CC)CC 269862a_100000209983_100000211137 [0,1,0,0,0,0|2,0,1]=4 6123 B11R0.124 CCCCCNCC(CC)CC 270004a_100000209983_100000211137 [0,1,0,0,0,0|2,0,1]=4 6124 B11R0.124 CCCCCNN=C(CC)CC 4a_100000694160_100000210860 [0,1,0,0,0,0|3,0,0]=4 6125 B11R0.124 CCCCCNN=C(CC)CO 4a_100000694160_100000725409 [0,1,0,0,0,0|2,0,1]=4 6126 B11R0.124 CCCCCOCC(CC)CC 34a_100000210253_100011215472 [0,1,0,0,0,0|2,0,1]=4 6127 B11R0.124 CCCCCOCC(CC)CC 7a_100000210253_100011215472 [0,1,0,0,0,0|2,0,1]=4 6128 B11R0.124 CCCCCOCC(CC)CC 7a_100000703878_100000210326 [0,1,0,0,0,0|2,0,1]=4 6129 B11R0.124 CCCCCOCC(CC)OC 34a_100011934954_100000718602 [0,1,0,0,0,0|1,0,2]=4 6130 B11R0.124 CCCCCOCC(CC)OC 7a_100011934954_100000210326 [0,1,0,0,0,0|1,0,2]=4 6131 B11R0.124 CCCCCOCN(CC)CC 7a_200015374951_100000210326 [0,1,0,0,0,0|3,0,0]=4 6132 B11R0.124 CCCCCSCC(CC)CC 62a_100000210326_100011215472 [0,1,0,0,0,0|2,0,1]=4 6133 B11R0.124 CCCCCSCC(CC)CC 62a_100011215472_100000210326 [0,1,0,0,0,0|2,0,1]=4 6134 B11R0.124 CCCCNCCN(CC)CC 2230a_100000102301_100000700428 [0,1,0,0,0,0|3,0,0]=4 6135 B11R0.124 CCCCNCCN(CC)CC 2230a_100015382049_100000210211 [0,1,0,0,0,0|3,0,0]=4 6136 B11R0.124 CCCCNCCN(CC)CC 7a_106832991798_100000700428 [0,1,0,0,0,0|3,0,0]=4 6137 B11R0.124 CCCCOCCN(CC)CC 2230a_100000724800_100000743108 [0,1,0,0,0,0|3,0,0]=4 6138 B11R0.124 CCCCOCCN(CC)CC 269956a_100000042499_100000743108 [0,1,0,0,0,0|3,0,0]=4 6139 B11R0.124 CCCCOCCN(CC)CC 269982a_100000724800_100000743108 [0,1,0,0,0,0|3,0,0]=4 6140 B11R0.124 CCCCOCCN(CC)CC 7a_100000210227_100000700428 [0,1,0,0,0,0|3,0,0]=4 6141 B11R0.124 CCCCOCCN(CC)CC 7a_100016990331_100000210211 [0,1,0,0,0,0|3,0,0]=4 6142 B11R0.124 CCCCSCCN(CC)CC 62a_100000210211_100000700428 [0,1,0,0,0,0|3,0,0]=4 6143 B11R0.124 CCCOCCCN(CC)CC 7a_100000212844_100000210303 [0,1,0,0,0,0|3,0,0]=4 6144 B11R0.124 CCCSCCCN(CC)CC 62a_100000210303_100000709985 [0,1,0,0,0,0|3,0,0]=4 6145 B11R0.124 CCN(CC)CCCCCCF 2230a_100000724800_100015922095 [0,1,0,0,0,0|3,0,0]=4 6146 B11R0.124 CCN(CC)CCCCCCF 269956a_100000042499_100015922095 [0,1,0,0,0,0|3,0,0]=4 6147 B11R0.124 CCN(CC)CCCCCCF 269982a_100000724800_100015922095 [0,1,0,0,0,0|3,0,0]=4 6148 B11R0.124 CCN(CC)CCCCCCO 2230a_100000724800_100000766143 [0,1,0,0,0,0|3,0,0]=4 6149 B11R0.124 CCN(CC)CCCCCCO 269956a_100000042499_100000766143 [0,1,0,0,0,0|3,0,0]=4 6150 B11R0.124 CCN(CC)CCCCCCO 269982a_100000724800_100000766143 [0,1,0,0,0,0|3,0,0]=4 6151 B11R0.124 CCN(CC)CCCCCNC 2230a_100011491781_200000210301 [0,1,0,0,0,0|3,0,0]=4 6152 B11R0.124 CCN(CC)CCCCCN[13CH3] 2230a_100011491781_200025704644 [0,1,0,0,0,0|3,0,0]=4 6153 B11R0.124 CCN(CC)CCCCCOC 7a_200011629222_200000210301 [0,1,0,0,0,0|3,0,0]=4 6154 B11R0.124 CCN(CC)CCCCCO[13CH3] 7a_200011629222_200025704644 [0,1,0,0,0,0|3,0,0]=4 6155 B11R0.124 CCN(CCCCOCF)N=O 34a_200000035056_100015361967 [0,1,0,0,0,0|3,0,0]=4 6156 B11R0.124 CCNCCCCN(CC)CC 2230a_100000743895_100000210202 [0,1,0,0,0,0|3,0,0]=4 6157 B11R0.124 CCOCCCCN(CC)CC 7a_100011305530_100000210202 [0,1,0,0,0,0|3,0,0]=4 6158 B11R0.124 CCOCCCCN(CC)N=O 34a_200000035056_100000210202 [0,1,0,0,0,0|2,0,0]=3 6159 B11R0.142 C#CC(=O)C(C)CCCCCC 1458a_100000211873_100011215978 [0,1,0,0,0,0|0,0,2]=3 6160 B11R0.142 C#CCCCOC(C)C(=O)CC 7a_100000215630_100000742827 [0,1,0,0,0,0|1,0,2]=4 6161 B11R0.142 C#CCCCSC(C)C(=O)CC 62a_100000742827_100011215417 [0,1,0,0,0,0|1,0,2]=4 6162 B11R0.142 C#CCCCSC(C)C(=O)CC 62a_100011215417_100000742827 [0,1,0,0,0,0|1,0,2]=4 6163 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [0,1,0,0,0,0|1,0,2]=4 6164 B11R0.142 C/C=C(\C)/C(C)NCCCCC 269862a_100000209983_100020675665 [0,1,0,0,0,0|2,0,1]=4 6165 B11R0.142 C=C(COCCCC)C(=O)OC 34a_100000210227_100009813391 [0,1,0,0,0,0|2,0,1]=4 6166 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100000210211_100009813391 [0,1,0,0,0,0|2,0,1]=4 6167 B11R0.142 C=C(CSCCCC)C(=O)OC 62a_100009813391_100000210210 [0,1,0,0,0,0|2,0,1]=4 6168 B11R0.142 C=CC(=O)C(C)CCCCCC 1458a_100000185746_100011215978 [0,1,0,0,0,0|0,0,2]=3 6169 B11R0.142 C=CC(=O)N(C)CCCCCC 1626a_106256046315_100000185746 [0,1,0,0,0,0|1,0,2]=4 6170 B11R0.142 C=CC(=O)N(C)CCCCCC 240690a_106256046315_200121576911 [0,1,0,0,0,0|1,0,2]=4 6171 B11R0.142 C=CCCCCN(C)C(=O)CC 11a_100012000471_100000210414 [0,1,0,0,0,0|1,0,2]=4 6172 B11R0.142 C=CCCCCN(C)C(=O)CC 1626a_100012000471_100000210414 [0,1,0,0,0,0|1,0,2]=4 6173 B11R0.142 C=CCCCCN(C)C(=O)CC 240690a_100012000471_100000210414 [0,1,0,0,0,0|1,0,2]=4 6174 B11R0.142 C=CCCCCN(C)C(=O)CC 527a_100012000471_100000210414 [0,1,0,0,0,0|1,0,2]=4 6175 B11R0.142 C=CCCCNC(C)C(=O)CC 2230a_100000700776_100000742827 [0,1,0,0,0,0|1,0,2]=4 6176 B11R0.142 C=CCCCOC(C)C(=O)CC 7a_100000758997_100000742827 [0,1,0,0,0,0|1,0,2]=4 6177 B11R0.142 C=CCCCSC(C)C(=O)CC 62a_100000742827_100000757094 [0,1,0,0,0,0|1,0,2]=4 6178 B11R0.142 C=CCCCSC(C)C(=O)CC 62a_100011713584_100000742827 [0,1,0,0,0,0|1,0,2]=4 6179 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100000742827_100103147603 [0,1,0,0,0,0|1,0,2]=4 6180 B11R0.142 CC/C=C\CSC(C)C(=O)CC 62a_100103147603_100000742827 [0,1,0,0,0,0|1,0,2]=4 6181 B11R0.142 CCC#CCSC(C)C(=O)CC 62a_100000742827_100009813939 [0,1,0,0,0,0|1,0,2]=4 6182 B11R0.142 CCC#CCSC(C)C(=O)CC 62a_100009813939_100000742827 [0,1,0,0,0,0|1,0,2]=4 6183 B11R0.142 CCC(=O)C(C)NCCCCO 2230a_100000750430_100000742827 [0,1,0,0,0,0|2,0,0]=3 6184 B11R0.142 CCC(=O)C(C)NCCCSC 2230a_100000749238_100000742827 [0,1,0,0,0,0|2,0,0]=3 6185 B11R0.142 CCC(=O)C(C)OCCCCCl 7a_100000210776_100000742827 [0,1,0,0,0,0|2,0,0]=3 6186 B11R0.142 CCC(=O)C(C)OCCCCF 7a_100011995726_100000742827 [0,1,0,0,0,0|2,0,0]=3 6187 B11R0.142 CCC(=O)C(C)OCCCSC 7a_100000690336_100000742827 [0,1,0,0,0,0|2,0,0]=3 6188 B11R0.142 CCC(=O)C(C)SCCCC#N 62a_100000687738_100000742827 [0,1,0,0,0,0|2,0,1]=4 6189 B11R0.142 CCC(=O)C(C)SCCCC#N 62a_100000742827_100000687738 [0,1,0,0,0,0|2,0,1]=4 6190 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_100000742827_200011292268 [0,1,0,0,0,0|2,0,1]=4 6191 B11R0.142 CCC(=O)C(C)SCCCC=O 62a_200011292268_100000742827 [0,1,0,0,0,0|2,0,1]=4 6192 B11R0.142 CCC(=O)C(C)SCCCCF 62a_100000729493_100000742827 [0,1,0,0,0,0|2,0,0]=3 6193 B11R0.142 CCC(=O)C(C)SCCCCF 62a_100000742827_100000729493 [0,1,0,0,0,0|2,0,0]=3 6194 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000210776_100000742827 [0,1,0,0,0,0|2,0,0]=3 6195 B11R0.142 CCC(=O)C(C)SCCCCO 62a_100000742827_100000210776 [0,1,0,0,0,0|2,0,0]=3 6196 B11R0.142 CCC(=O)C(C)SCCCOC 62a_100000709357_100000742827 [0,1,0,0,0,0|2,0,0]=3 6197 B11R0.142 CCC(=O)C(C)SCCCOC 62a_100000742827_100000709357 [0,1,0,0,0,0|2,0,0]=3 6198 B11R0.142 CCC(=O)N(C)CCCCCO 240690a_100000722520_100000210414 [0,1,0,0,0,0|2,0,0]=3 6199 B11R0.142 CCC(=O)N(C)CCOCCO 240690a_100000228057_100000210414 [0,1,0,0,0,0|3,0,0]=4 6200 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,1,0,0,0,0|1,0,1]=3 6201 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,1,0,0,0,0|1,0,2]=4 6202 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,1,0,0,0,0|1,0,2]=4 6203 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,1,0,0,0,0|0,0,3]=4 6204 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [0,1,0,0,0,0|2,0,1]=4 6205 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [0,1,0,0,0,0|2,0,1]=4 6206 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [0,1,0,0,0,0|2,0,1]=4 6207 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [0,1,0,0,0,0|2,0,1]=4 6208 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,0,0,0,0|0,0,0]=1 6209 B11R0.142 CCCCCCC(C)C(=O)CO 1458a_100000210174_100011215978 [0,1,0,0,0,0|1,0,0]=2 6210 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,1,0,0,0,0|2,0,0]=3 6211 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,1,0,0,0,0|2,0,0]=3 6212 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,0,0,0,0|0,0,0]=1 6213 B11R0.142 CCCCCCC(O)C(=O)CF 1458a_100011215828_100015361967 [0,1,0,0,0,0|1,0,0]=2 6214 B11R0.142 CCCCCCC(O)C(=O)NC 240690a_100102657272_100011215828 [0,1,0,0,0,0|1,0,0]=2 6215 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,1,0,0,0,0|1,0,0]=2 6216 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,1,0,0,0,0|1,0,0]=2 6217 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,1,0,0,0,0|1,0,0]=2 6218 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,1,0,0,0,0|1,0,0]=2 6219 B11R0.142 CCCCCCN(C)C(=O)CO 240690a_106256046315_100000210174 [0,1,0,0,0,0|2,0,0]=3 6220 B11R0.142 CCCCCCN(C)C(=O)CO 527a_106256046315_100000210174 [0,1,0,0,0,0|2,0,0]=3 6221 B11R0.142 CCCCCCN(C)C(=O)NC 2708a_100102657272_106256046315 [0,1,0,0,0,0|2,0,0]=3 6222 B11R0.142 CCCCCCN(C)C(=O)NC 273464a_100102657272_106256046315 [0,1,0,0,0,0|2,0,0]=3 6223 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,1,0,0,0,0|2,0,1]=4 6224 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,1,0,0,0,0|2,0,1]=4 6225 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,1,0,0,0,0|2,0,1]=4 6226 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,1,0,0,0,0|2,0,1]=4 6227 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 6228 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 6229 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,1,0,0,0,0|2,0,1]=4 6230 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,1,0,0,0,0|2,0,1]=4 6231 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,1,0,0,0,0|2,0,1]=4 6232 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,1,0,0,0,0|2,0,1]=4 6233 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,1,0,0,0,0|2,0,1]=4 6234 B11R0.142 CCCCCNC(C)C(=O)CC 2230a_100000209983_100000742827 [0,1,0,0,0,0|1,0,0]=2 6235 B11R0.142 CCCCCNC(C)C(=O)NC 2230a_100000209983_100000731044 [0,1,0,0,0,0|2,0,0]=3 6236 B11R0.142 CCCCCNC(C)C(=O)OC 2230a_100000209983_100000211248 [0,1,0,0,0,0|2,0,0]=3 6237 B11R0.142 CCCCCNC(C)C(C)CC 269862a_100000209983_100000210599 [0,1,0,0,0,0|2,0,1]=4 6238 B11R0.142 CCCCCNC(C)C(C)CC 270004a_100000209983_100000210599 [0,1,0,0,0,0|2,0,1]=4 6239 B11R0.142 CCCCCNC(F)C(=O)NC 2230a_100000209983_100009813575 [0,1,0,0,0,0|2,0,0]=3 6240 B11R0.142 CCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210326 [0,1,0,0,0,0|2,0,0]=3 6241 B11R0.142 CCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000718602 [0,1,0,0,0,0|2,0,0]=3 6242 B11R0.142 CCCCCOC(C)C(=O)CC 7a_100000210253_100000742827 [0,1,0,0,0,0|1,0,0]=2 6243 B11R0.142 CCCCCOC(C)C(=O)NC 34a_100000210253_100000731044 [0,1,0,0,0,0|2,0,0]=3 6244 B11R0.142 CCCCCOC(C)C(=O)NC 7a_100000210253_100000209862 [0,1,0,0,0,0|2,0,0]=3 6245 B11R0.142 CCCCCOC(C)C(=O)NN 34a_100000725659_100000718602 [0,1,0,0,0,0|3,0,0]=4 6246 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100000210253_100000211248 [0,1,0,0,0,0|2,0,0]=3 6247 B11R0.142 CCCCCOC(C)C(=O)OC 34a_100011215400_100000718602 [0,1,0,0,0,0|2,0,0]=3 6248 B11R0.142 CCCCCOC(C)C(=O)OC 7a_100000210253_100000211248 [0,1,0,0,0,0|2,0,0]=3 6249 B11R0.142 CCCCCOC(C)C(C)CC 7a_100011215189_100000210326 [0,1,0,0,0,0|2,0,1]=4 6250 B11R0.142 CCCCCOC(F)C(=O)NC 34a_100000210253_100009813575 [0,1,0,0,0,0|2,0,0]=3 6251 B11R0.142 CCCCCOC(F)C(=O)NC 7a_100000210253_100009813575 [0,1,0,0,0,0|2,0,0]=3 6252 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000210326_100000742827 [0,1,0,0,0,0|1,0,0]=2 6253 B11R0.142 CCCCCSC(C)C(=O)CC 62a_100000742827_100000210326 [0,1,0,0,0,0|1,0,0]=2 6254 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000209862_100000210326 [0,1,0,0,0,0|2,0,0]=3 6255 B11R0.142 CCCCCSC(C)C(=O)NC 62a_100000210326_100000731044 [0,1,0,0,0,0|2,0,0]=3 6256 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000210326_100000211248 [0,1,0,0,0,0|2,0,0]=3 6257 B11R0.142 CCCCCSC(C)C(=O)OC 62a_100000211248_100000210326 [0,1,0,0,0,0|2,0,0]=3 6258 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100000210326_100009813575 [0,1,0,0,0,0|2,0,0]=3 6259 B11R0.142 CCCCCSC(F)C(=O)NC 62a_100009813575_100000210326 [0,1,0,0,0,0|2,0,0]=3 6260 B11R0.142 CCCCNCC(C)C(=O)NC 2230a_100015187722_100000210211 [0,1,0,0,0,0|2,0,0]=3 6261 B11R0.142 CCCCNCC(C)C(=O)NC 34a_100015187722_100000210210 [0,1,0,0,0,0|2,0,0]=3 6262 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [0,1,0,0,0,0|2,0,1]=4 6263 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,1,0,0,0,0|2,0,1]=4 6264 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000210227_100000698445 [0,1,0,0,0,0|2,0,0]=3 6265 B11R0.142 CCCCOCC(C)C(=O)OC 34a_100000749362_100000210210 [0,1,0,0,0,0|2,0,0]=3 6266 B11R0.142 CCCCOCC(C)C(=O)OC 7a_100000749362_100000210211 [0,1,0,0,0,0|2,0,0]=3 6267 B11R0.142 CCCCOCC(C)N(C)CC 7a_100000732741_100000210211 [0,1,0,0,0,0|3,0,0]=4 6268 B11R0.142 CCCCOCC(F)C(=O)OC 34a_200009849844_100000210210 [0,1,0,0,0,0|2,0,0]=3 6269 B11R0.142 CCCCOCC(N)C(=O)NN 34a_100016989258_100000210210 [0,1,0,0,0,0|3,0,0]=4 6270 B11R0.142 CCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210210 [0,1,0,0,0,0|2,0,0]=3 6271 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,1,0,0,0,0|2,0,1]=4 6272 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,1,0,0,0,0|2,0,1]=4 6273 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000210211_100000698445 [0,1,0,0,0,0|2,0,0]=3 6274 B11R0.142 CCCCSCC(C)C(=O)OC 62a_100000698445_100000210210 [0,1,0,0,0,0|2,0,0]=3 6275 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [0,1,0,0,0,0|2,0,1]=4 6276 B11R0.142 CCCOCCC(C)C(=O)OC 34a_100000210258_100000034942 [0,1,0,0,0,0|2,0,0]=3 6277 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000034942_100000210303 [0,1,0,0,0,0|2,0,0]=3 6278 B11R0.142 CCCSCCC(C)C(=O)OC 62a_100000210303_100000034942 [0,1,0,0,0,0|2,0,0]=3 6279 B11R0.142 CCOCCCC(=O)C(=O)NC 1458a_100011218921_100012232248 [0,1,0,0,0,0|2,0,1]=4 6280 B11R0.142 CCOCCNC(C)C(=O)CC 2230a_102516460346_100000742827 [0,1,0,0,0,0|2,0,0]=3 6281 B11R0.142 CCOCCNC(C)C(=O)NC 2230a_102516460346_100000731044 [0,1,0,0,0,0|3,0,0]=4 6282 B11R0.142 CCOCCNC(C)C(=O)NC 34a_102516460346_100000731044 [0,1,0,0,0,0|3,0,0]=4 6283 B11R0.142 CCOCCNC(C)C(=O)OC 2230a_102516460346_100000211248 [0,1,0,0,0,0|3,0,0]=4 6284 B11R0.142 CCOCCNC(C)C(=O)OC 34a_102516460346_100000211248 [0,1,0,0,0,0|3,0,0]=4 6285 B11R0.142 CCOCCNC(F)C(=O)NC 2230a_102516460346_100009813575 [0,1,0,0,0,0|3,0,0]=4 6286 B11R0.142 CCOCCNC(F)C(=O)NC 34a_102516460346_100009813575 [0,1,0,0,0,0|3,0,0]=4 6287 B11R0.142 CCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215890 [0,1,0,0,0,0|3,0,0]=4 6288 B11R0.142 CCOCCN[C@H](C)C(=O)NC 34a_100000684985_100000210147 [0,1,0,0,0,0|3,0,0]=4 6289 B11R0.142 CCOCCOC(C)C(=O)CC 1458a_100000743585_100000210202 [0,1,0,0,0,0|2,0,0]=3 6290 B11R0.142 CCOCCOC(C)C(=O)CC 7a_100000210136_100000742827 [0,1,0,0,0,0|2,0,0]=3 6291 B11R0.142 CCOCCOC(C)C(=O)CF 1458a_100000743585_100015361967 [0,1,0,0,0,0|3,0,0]=4 6292 B11R0.142 CCOCCOC(C)C(=O)NC 11a_106832991635_100000743585 [0,1,0,0,0,0|3,0,0]=4 6293 B11R0.142 CCOCCOC(C)C(=O)NC 1626a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 6294 B11R0.142 CCOCCOC(C)C(=O)NC 240690a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 6295 B11R0.142 CCOCCOC(C)C(=O)NC 34a_100000210136_100000731044 [0,1,0,0,0,0|3,0,0]=4 6296 B11R0.142 CCOCCOC(C)C(=O)NC 527a_100102657272_100000743585 [0,1,0,0,0,0|3,0,0]=4 6297 B11R0.142 CCOCCOC(C)C(=O)NC 7a_100000210136_100000209862 [0,1,0,0,0,0|3,0,0]=4 6298 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100000210136_100000211248 [0,1,0,0,0,0|3,0,0]=4 6299 B11R0.142 CCOCCOC(C)C(=O)OC 34a_100011215400_100000210147 [0,1,0,0,0,0|3,0,0]=4 6300 B11R0.142 CCOCCOC(C)C(=O)OC 7a_100000210136_100000211248 [0,1,0,0,0,0|3,0,0]=4 6301 B11R0.142 CCOCCOC(F)C(=O)NC 34a_100000210136_100009813575 [0,1,0,0,0,0|3,0,0]=4 6302 B11R0.142 CCOCCOC(F)C(=O)NC 7a_100000210136_100009813575 [0,1,0,0,0,0|3,0,0]=4 6303 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000210147_100000742827 [0,1,0,0,0,0|2,0,0]=3 6304 B11R0.142 CCOCCSC(C)C(=O)CC 62a_100000742827_100011215890 [0,1,0,0,0,0|2,0,0]=3 6305 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000209862_100011215890 [0,1,0,0,0,0|3,0,0]=4 6306 B11R0.142 CCOCCSC(C)C(=O)NC 62a_100000210147_100000731044 [0,1,0,0,0,0|3,0,0]=4 6307 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000210147_100000211248 [0,1,0,0,0,0|3,0,0]=4 6308 B11R0.142 CCOCCSC(C)C(=O)OC 62a_100000211248_100011215890 [0,1,0,0,0,0|3,0,0]=4 6309 B11R0.142 CCOCCSC(F)C(=O)NC 62a_100000210147_100009813575 [0,1,0,0,0,0|3,0,0]=4 6310 B11R0.142 CCOCCSC(F)C(=O)NC 62a_100009813575_100011215890 [0,1,0,0,0,0|3,0,0]=4 6311 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000698445_100000739092 [0,1,0,0,0,0|3,0,0]=4 6312 B11R0.142 CCOCSCC(C)C(=O)OC 62a_100000739092_100000698445 [0,1,0,0,0,0|3,0,0]=4 6313 B11R0.142 CCSCCNC(C)C(=O)CC 2230a_100000106463_100000742827 [0,1,0,0,0,0|2,0,0]=3 6314 B11R0.142 CCSCCNC(C)C(=O)NC 2230a_100000106463_100000731044 [0,1,0,0,0,0|3,0,0]=4 6315 B11R0.142 CCSCCNC(C)C(=O)OC 2230a_100000106463_100000211248 [0,1,0,0,0,0|3,0,0]=4 6316 B11R0.142 CCSCCNC(F)C(=O)NC 2230a_100000106463_100009813575 [0,1,0,0,0,0|3,0,0]=4 6317 B11R0.142 CCSCCN[C@H](C)C(=O)NC 2230a_100000684985_100000757381 [0,1,0,0,0,0|3,0,0]=4 6318 B11R0.142 CCSCCN[C@H](C)C(=O)NC 34a_100000684985_100000757381 [0,1,0,0,0,0|3,0,0]=4 6319 B11R0.142 CCSCCOC(C)C(=O)CC 7a_100000212035_100000742827 [0,1,0,0,0,0|2,0,0]=3 6320 B11R0.142 CCSCCOC(C)C(=O)NC 34a_100000212035_100000731044 [0,1,0,0,0,0|3,0,0]=4 6321 B11R0.142 CCSCCOC(C)C(=O)NC 7a_100000212035_100000209862 [0,1,0,0,0,0|3,0,0]=4 6322 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100000212035_100000211248 [0,1,0,0,0,0|3,0,0]=4 6323 B11R0.142 CCSCCOC(C)C(=O)OC 34a_100011215400_100000757381 [0,1,0,0,0,0|3,0,0]=4 6324 B11R0.142 CCSCCOC(C)C(=O)OC 7a_100000212035_100000211248 [0,1,0,0,0,0|3,0,0]=4 6325 B11R0.142 CCSCCOC(F)C(=O)NC 34a_100000212035_100009813575 [0,1,0,0,0,0|3,0,0]=4 6326 B11R0.142 CCSCCOC(F)C(=O)NC 7a_100000212035_100009813575 [0,1,0,0,0,0|3,0,0]=4 6327 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000742827_100000757381 [0,1,0,0,0,0|2,0,0]=3 6328 B11R0.142 CCSCCSC(C)C(=O)CC 62a_100000757381_100000742827 [0,1,0,0,0,0|2,0,0]=3 6329 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000209862_100000757381 [0,1,0,0,0,0|3,0,0]=4 6330 B11R0.142 CCSCCSC(C)C(=O)NC 62a_100000757381_100000731044 [0,1,0,0,0,0|3,0,0]=4 6331 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000211248_100000757381 [0,1,0,0,0,0|3,0,0]=4 6332 B11R0.142 CCSCCSC(C)C(=O)OC 62a_100000757381_100000211248 [0,1,0,0,0,0|3,0,0]=4 6333 B11R0.142 CCSCCSC(F)C(=O)NC 62a_100000757381_100009813575 [0,1,0,0,0,0|3,0,0]=4 6334 B11R0.142 CCSCCSC(F)C(=O)NC 62a_100009813575_100000757381 [0,1,0,0,0,0|3,0,0]=4 6335 B11R0.142 CN(CCCCCO)C(=O)CO 240690a_100000722520_100000210174 [0,1,0,0,0,0|3,0,0]=4 6336 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [0,1,0,0,0,0|2,0,1]=4 6337 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,1,0,0,0,0|2,0,1]=4 6338 B11R0.142 CNC(=O)C(=O)CCCCOC 1458a_100011218921_100000755781 [0,1,0,0,0,0|2,0,1]=4 6339 B11R0.142 CNC(=O)C(C)CNCCCF 2230a_100015187722_100011934791 [0,1,0,0,0,0|3,0,0]=4 6340 B11R0.142 CNC(=O)C(C)CNCCCF 34a_100015187722_100011934791 [0,1,0,0,0,0|3,0,0]=4 6341 B11R0.142 CNC(=O)C(C)CNCCCO 2230a_100015187722_100000230001 [0,1,0,0,0,0|3,0,0]=4 6342 B11R0.142 CNC(=O)C(C)CNCCCO 34a_100015187722_100000230001 [0,1,0,0,0,0|3,0,0]=4 6343 B11R0.142 CNC(=O)C(C)CNCCOC 2230a_100015187722_100011201679 [0,1,0,0,0,0|3,0,0]=4 6344 B11R0.142 CNC(=O)C(C)CNCCOC 34a_100015187722_100011201679 [0,1,0,0,0,0|3,0,0]=4 6345 B11R0.142 CNC(=O)C(C)CNCCSC 2230a_100015187722_100000751147 [0,1,0,0,0,0|3,0,0]=4 6346 B11R0.142 CNC(=O)C(C)CNCCSC 34a_100015187722_100000212216 [0,1,0,0,0,0|3,0,0]=4 6347 B11R0.142 CNC(=O)C(C)NCCCCO 2230a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 6348 B11R0.142 CNC(=O)C(C)NCCCCO 34a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 6349 B11R0.142 CNC(=O)C(C)NCCCOC 34a_100150723488_100000731044 [0,1,0,0,0,0|3,0,0]=4 6350 B11R0.142 CNC(=O)C(C)NCCCSC 2230a_100000749238_100000731044 [0,1,0,0,0,0|3,0,0]=4 6351 B11R0.142 CNC(=O)C(C)OCCCCBr 34a_100011216708_100000731044 [0,1,0,0,0,0|3,0,0]=4 6352 B11R0.142 CNC(=O)C(C)OCCCCCl 34a_100000210776_100000731044 [0,1,0,0,0,0|3,0,0]=4 6353 B11R0.142 CNC(=O)C(C)OCCCCCl 7a_100000210776_100000209862 [0,1,0,0,0,0|3,0,0]=4 6354 B11R0.142 CNC(=O)C(C)OCCCCF 34a_100011995726_100000731044 [0,1,0,0,0,0|3,0,0]=4 6355 B11R0.142 CNC(=O)C(C)OCCCCF 7a_100011995726_100000209862 [0,1,0,0,0,0|3,0,0]=4 6356 B11R0.142 CNC(=O)C(C)OCCCCI 34a_200012148704_100000731044 [0,1,0,0,0,0|3,0,0]=4 6357 B11R0.142 CNC(=O)C(C)OCCCCN 34a_100000750430_100000731044 [0,1,0,0,0,0|3,0,0]=4 6358 B11R0.142 CNC(=O)C(C)OCCCOC 34a_100000740835_100000731044 [0,1,0,0,0,0|3,0,0]=4 6359 B11R0.142 CNC(=O)C(C)OCCCSC 34a_100000690336_100000731044 [0,1,0,0,0,0|3,0,0]=4 6360 B11R0.142 CNC(=O)C(C)OCCCSC 7a_100000690336_100000209862 [0,1,0,0,0,0|3,0,0]=4 6361 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000209862_100000729493 [0,1,0,0,0,0|3,0,0]=4 6362 B11R0.142 CNC(=O)C(C)SCCCCF 62a_100000729493_100000731044 [0,1,0,0,0,0|3,0,0]=4 6363 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000209862_100000210776 [0,1,0,0,0,0|3,0,0]=4 6364 B11R0.142 CNC(=O)C(C)SCCCCO 62a_100000210776_100000731044 [0,1,0,0,0,0|3,0,0]=4 6365 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000209862_100000709357 [0,1,0,0,0,0|3,0,0]=4 6366 B11R0.142 CNC(=O)C(C)SCCCOC 62a_100000709357_100000731044 [0,1,0,0,0,0|3,0,0]=4 6367 B11R0.142 CNC(=O)C(F)NCCCCO 2230a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 6368 B11R0.142 CNC(=O)C(F)NCCCCO 34a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 6369 B11R0.142 CNC(=O)C(F)NCCCOC 34a_100150723488_100009813575 [0,1,0,0,0,0|3,0,0]=4 6370 B11R0.142 CNC(=O)C(F)NCCCSC 2230a_100000749238_100009813575 [0,1,0,0,0,0|3,0,0]=4 6371 B11R0.142 CNC(=O)C(F)OCCCCBr 34a_100011216708_100009813575 [0,1,0,0,0,0|3,0,0]=4 6372 B11R0.142 CNC(=O)C(F)OCCCCCl 34a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 6373 B11R0.142 CNC(=O)C(F)OCCCCCl 7a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 6374 B11R0.142 CNC(=O)C(F)OCCCCF 34a_100011995726_100009813575 [0,1,0,0,0,0|3,0,0]=4 6375 B11R0.142 CNC(=O)C(F)OCCCCF 7a_100011995726_100009813575 [0,1,0,0,0,0|3,0,0]=4 6376 B11R0.142 CNC(=O)C(F)OCCCCI 34a_200012148704_100009813575 [0,1,0,0,0,0|3,0,0]=4 6377 B11R0.142 CNC(=O)C(F)OCCCCN 34a_100000750430_100009813575 [0,1,0,0,0,0|3,0,0]=4 6378 B11R0.142 CNC(=O)C(F)OCCCOC 34a_100000740835_100009813575 [0,1,0,0,0,0|3,0,0]=4 6379 B11R0.142 CNC(=O)C(F)OCCCSC 34a_100000690336_100009813575 [0,1,0,0,0,0|3,0,0]=4 6380 B11R0.142 CNC(=O)C(F)OCCCSC 7a_100000690336_100009813575 [0,1,0,0,0,0|3,0,0]=4 6381 B11R0.142 CNC(=O)C(F)SCCCCF 62a_100000729493_100009813575 [0,1,0,0,0,0|3,0,0]=4 6382 B11R0.142 CNC(=O)C(F)SCCCCF 62a_100009813575_100000729493 [0,1,0,0,0,0|3,0,0]=4 6383 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100000210776_100009813575 [0,1,0,0,0,0|3,0,0]=4 6384 B11R0.142 CNC(=O)C(F)SCCCCO 62a_100009813575_100000210776 [0,1,0,0,0,0|3,0,0]=4 6385 B11R0.142 CNC(=O)C(F)SCCCOC 62a_100000709357_100009813575 [0,1,0,0,0,0|3,0,0]=4 6386 B11R0.142 CNC(=O)C(F)SCCCOC 62a_100009813575_100000709357 [0,1,0,0,0,0|3,0,0]=4 6387 B11R0.142 CNC(=O)N(C)CCCCCO 2708a_100102657272_100000722520 [0,1,0,0,0,0|3,0,0]=4 6388 B11R0.142 CNC(=O)N(C)CCCCCO 273464a_100102657272_100000722520 [0,1,0,0,0,0|3,0,0]=4 6389 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 2230a_100000684985_100000729493 [0,1,0,0,0,0|3,0,0]=4 6390 B11R0.142 CNC(=O)[C@@H](C)NCCCCF 34a_100000684985_100000729493 [0,1,0,0,0,0|3,0,0]=4 6391 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 2230a_100000684985_100000210776 [0,1,0,0,0,0|3,0,0]=4 6392 B11R0.142 CNC(=O)[C@@H](C)NCCCCO 34a_100000684985_100011216708 [0,1,0,0,0,0|3,0,0]=4 6393 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 2230a_100000684985_100000740836 [0,1,0,0,0,0|3,0,0]=4 6394 B11R0.142 CNC(=O)[C@@H](C)NCCCOC 34a_100000684985_100000740836 [0,1,0,0,0,0|3,0,0]=4 6395 B11R0.142 CNCCCOC(C)C(=O)NC 34a_100000213112_100000731044 [0,1,0,0,0,0|3,0,0]=4 6396 B11R0.142 CNCCCOC(C)C(=O)OC 34a_100000213112_100000211248 [0,1,0,0,0,0|3,0,0]=4 6397 B11R0.142 CNCCCOC(F)C(=O)NC 34a_100000213112_100009813575 [0,1,0,0,0,0|3,0,0]=4 6398 B11R0.142 COC(=O)C(C)CCNCCF 34a_100000724931_100000034942 [0,1,0,0,0,0|3,0,0]=4 6399 B11R0.142 COC(=O)C(C)CCNCCO 2230a_100016997473_100000034942 [0,1,0,0,0,0|3,0,0]=4 6400 B11R0.142 COC(=O)C(C)CCNCCO 34a_100016990907_100000034942 [0,1,0,0,0,0|3,0,0]=4 6401 B11R0.142 COC(=O)C(C)CCOCCBr 34a_100000211926_100000034942 [0,1,0,0,0,0|3,0,0]=4 6402 B11R0.142 COC(=O)C(C)CCOCCN 34a_100000210304_100000034942 [0,1,0,0,0,0|3,0,0]=4 6403 B11R0.142 COC(=O)C(C)CCSCCF 62a_100000034942_100011217306 [0,1,0,0,0,0|3,0,0]=4 6404 B11R0.142 COC(=O)C(C)CCSCCF 62a_100011217306_100000034942 [0,1,0,0,0,0|3,0,0]=4 6405 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000034942_100000211926 [0,1,0,0,0,0|3,0,0]=4 6406 B11R0.142 COC(=O)C(C)CCSCCO 62a_100000211926_100000034942 [0,1,0,0,0,0|3,0,0]=4 6407 B11R0.142 COC(=O)C(C)CCSCSC 62a_100000034942_100011218213 [0,1,0,0,0,0|3,0,0]=4 6408 B11R0.142 COC(=O)C(C)CCSCSC 62a_100011218213_100000034942 [0,1,0,0,0,0|3,0,0]=4 6409 B11R0.142 COC(=O)C(C)CNCCCF 34a_100015189416_100000698445 [0,1,0,0,0,0|3,0,0]=4 6410 B11R0.142 COC(=O)C(C)COCCCBr 34a_100011217188_100000698445 [0,1,0,0,0,0|3,0,0]=4 6411 B11R0.142 COC(=O)C(C)COCCCCl 34a_100000230001_100000698445 [0,1,0,0,0,0|3,0,0]=4 6412 B11R0.142 COC(=O)C(C)COCCCF 34a_100000749362_100011934791 [0,1,0,0,0,0|3,0,0]=4 6413 B11R0.142 COC(=O)C(C)COCCCF 34a_100000759539_100000698445 [0,1,0,0,0,0|3,0,0]=4 6414 B11R0.142 COC(=O)C(C)COCCCF 7a_100000749362_100011934791 [0,1,0,0,0,0|3,0,0]=4 6415 B11R0.142 COC(=O)C(C)COCCCN 34a_100000182051_100000698445 [0,1,0,0,0,0|3,0,0]=4 6416 B11R0.142 COC(=O)C(C)COCCCO 34a_100000749362_100000230001 [0,1,0,0,0,0|3,0,0]=4 6417 B11R0.142 COC(=O)C(C)COCCCO 7a_100000749362_100011215043 [0,1,0,0,0,0|3,0,0]=4 6418 B11R0.142 COC(=O)C(C)COCCSC 34a_100000230434_100000698445 [0,1,0,0,0,0|3,0,0]=4 6419 B11R0.142 COC(=O)C(C)COCCSC 34a_100000749362_100000212216 [0,1,0,0,0,0|3,0,0]=4 6420 B11R0.142 COC(=O)C(C)COCCSC 7a_100000749362_100000212216 [0,1,0,0,0,0|3,0,0]=4 6421 B11R0.142 COC(=O)C(C)CSCCCF 62a_100000698445_100011934791 [0,1,0,0,0,0|3,0,0]=4 6422 B11R0.142 COC(=O)C(C)CSCCCF 62a_100011934791_100000698445 [0,1,0,0,0,0|3,0,0]=4 6423 B11R0.142 COC(=O)C(C)CSCCCO 62a_100000698445_100011215043 [0,1,0,0,0,0|3,0,0]=4 6424 B11R0.142 COC(=O)C(C)CSCCCO 62a_100011215043_100000698445 [0,1,0,0,0,0|3,0,0]=4 6425 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000212216_100000698445 [0,1,0,0,0,0|3,0,0]=4 6426 B11R0.142 COC(=O)C(C)CSCCSC 62a_100000698445_100000751147 [0,1,0,0,0,0|3,0,0]=4 6427 B11R0.142 COC(=O)C(C)NCCCCO 2230a_100000750430_100000211248 [0,1,0,0,0,0|3,0,0]=4 6428 B11R0.142 COC(=O)C(C)NCCCCO 34a_100000750430_100000211248 [0,1,0,0,0,0|3,0,0]=4 6429 B11R0.142 COC(=O)C(C)NCCCSC 2230a_100000749238_100000211248 [0,1,0,0,0,0|3,0,0]=4 6430 B11R0.142 COC(=O)C(C)OCCCCBr 34a_100011216708_100000211248 [0,1,0,0,0,0|3,0,0]=4 6431 B11R0.142 COC(=O)C(C)OCCCCCl 34a_100000210776_100000211248 [0,1,0,0,0,0|3,0,0]=4 6432 B11R0.142 COC(=O)C(C)OCCCCCl 7a_100000210776_100000211248 [0,1,0,0,0,0|3,0,0]=4 6433 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011215400_100000729493 [0,1,0,0,0,0|3,0,0]=4 6434 B11R0.142 COC(=O)C(C)OCCCCF 34a_100011995726_100000211248 [0,1,0,0,0,0|3,0,0]=4 6435 B11R0.142 COC(=O)C(C)OCCCCF 7a_100011995726_100000211248 [0,1,0,0,0,0|3,0,0]=4 6436 B11R0.142 COC(=O)C(C)OCCCCI 34a_200012148704_100000211248 [0,1,0,0,0,0|3,0,0]=4 6437 B11R0.142 COC(=O)C(C)OCCCCN 34a_100000750430_100000211248 [0,1,0,0,0,0|3,0,0]=4 6438 B11R0.142 COC(=O)C(C)OCCCCO 34a_100011215400_100011216708 [0,1,0,0,0,0|3,0,0]=4 6439 B11R0.142 COC(=O)C(C)OCCCSC 34a_100000690336_100000211248 [0,1,0,0,0,0|3,0,0]=4 6440 B11R0.142 COC(=O)C(C)OCCCSC 7a_100000690336_100000211248 [0,1,0,0,0,0|3,0,0]=4 6441 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000211248_100000729493 [0,1,0,0,0,0|3,0,0]=4 6442 B11R0.142 COC(=O)C(C)SCCCCF 62a_100000729493_100000211248 [0,1,0,0,0,0|3,0,0]=4 6443 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000210776_100000211248 [0,1,0,0,0,0|3,0,0]=4 6444 B11R0.142 COC(=O)C(C)SCCCCO 62a_100000211248_100000210776 [0,1,0,0,0,0|3,0,0]=4 6445 B11R0.142 COC(=O)C(F)COCCCF 34a_200009849844_100011934791 [0,1,0,0,0,0|3,0,0]=4 6446 B11R0.142 COC(=O)C(F)COCCCO 34a_200009849844_100000230001 [0,1,0,0,0,0|3,0,0]=4 6447 B11R0.142 COC(=O)C(F)COCCSC 34a_200009849844_100000212216 [0,1,0,0,0,0|3,0,0]=4 6448 B11R0.142 COC(=O)[C@H](N)COCCCF 34a_100000003586_100011934791 [0,1,0,0,0,0|3,0,0]=4 6449 B11R0.142 COC(=O)[C@H](N)COCCCO 34a_100000003586_100000230001 [0,1,0,0,0,0|3,0,0]=4 6450 B11R0.142 COC(=O)[C@H](N)COCCSC 34a_100000003586_100000212216 [0,1,0,0,0,0|3,0,0]=4 6451 B11R0.142 COCCCNC(C)C(=O)OC 34a_100150723488_100000211248 [0,1,0,0,0,0|3,0,0]=4 6452 B11R0.142 COCCCOC(C)C(=O)OC 34a_100000740835_100000211248 [0,1,0,0,0,0|3,0,0]=4 6453 B11R0.142 COCCCOC(C)C(=O)OC 34a_100011215400_100000740836 [0,1,0,0,0,0|3,0,0]=4 6454 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000211248_100000709357 [0,1,0,0,0,0|3,0,0]=4 6455 B11R0.142 COCCCSC(C)C(=O)OC 62a_100000709357_100000211248 [0,1,0,0,0,0|3,0,0]=4 6456 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000210237_100000698445 [0,1,0,0,0,0|3,0,0]=4 6457 B11R0.142 COCCOCC(C)C(=O)OC 34a_100000749362_100011201679 [0,1,0,0,0,0|3,0,0]=4 6458 B11R0.142 COCCOCC(C)C(=O)OC 7a_100000749362_100000233755 [0,1,0,0,0,0|3,0,0]=4 6459 B11R0.142 COCCOCC(F)C(=O)OC 34a_200009849844_100011201679 [0,1,0,0,0,0|3,0,0]=4 6460 B11R0.142 COCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011201679 [0,1,0,0,0,0|3,0,0]=4 6461 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000233755_100000698445 [0,1,0,0,0,0|3,0,0]=4 6462 B11R0.142 COCCSCC(C)C(=O)OC 62a_100000698445_100000233755 [0,1,0,0,0,0|3,0,0]=4 6463 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000034942_100000766300 [0,1,0,0,0,0|3,0,0]=4 6464 B11R0.142 COCSCCC(C)C(=O)OC 62a_100000766300_100000034942 [0,1,0,0,0,0|3,0,0]=4 6465 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [0,1,0,0,0,0|0,0,3]=4 6466 B11R0.154 C#CCCCC(=O)CC(=O)CC 1458a_100000690238_100000747405 [0,1,0,0,0,0|0,0,3]=4 6467 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,1,0,0,0,0|0,0,3]=4 6468 B11R0.154 C=CC(=O)NC(C)CCCCC 1626a_100000211957_100000185746 [0,1,0,0,0,0|1,0,2]=4 6469 B11R0.154 C=CC(=O)NC(C)CCCCC 240690a_100000211957_200121576911 [0,1,0,0,0,0|1,0,2]=4 6470 B11R0.154 C=CCCCC(=O)CC(=O)CC 1458a_100000766728_100000747405 [0,1,0,0,0,0|0,0,3]=4 6471 B11R0.154 CC/C=C/CC(=O)CC(=O)CC 1458a_100016274230_100000747405 [0,1,0,0,0,0|0,0,3]=4 6472 B11R0.154 CCC(=O)CC(=O)CCCC#N 1458a_100000075515_100000747405 [0,1,0,0,0,0|1,0,2]=4 6473 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,1,0,0,0,0|1,0,1]=3 6474 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [0,1,0,0,0,0|1,0,1]=3 6475 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [0,1,0,0,0,0|1,0,1]=3 6476 B11R0.154 CCC(=O)CC(=O)COCCO 1458a_100000708028_100000747405 [0,1,0,0,0,0|2,0,1]=4 6477 B11R0.154 CCC(=O)CC(=O)NCCOC 1458a_100000210414_100000183275 [0,1,0,0,0,0|2,0,1]=4 6478 B11R0.154 CCC(=O)CC(=O)OCCOC 1458a_100000210414_200000040189 [0,1,0,0,0,0|2,0,1]=4 6479 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [0,1,0,0,0,0|2,0,0]=3 6480 B11R0.154 CCC(=O)CN(C)CCCOC 269982a_100000224831_100000747405 [0,1,0,0,0,0|2,0,0]=3 6481 B11R0.154 CCCC#CC(=O)CC(=O)CC 1458a_200011218047_100000747405 [0,1,0,0,0,0|0,0,3]=4 6482 B11R0.154 CCCC=CC(=O)CC(=O)CC 1458a_100000212230_100000747405 [0,1,0,0,0,0|0,0,3]=4 6483 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,1,0,0,0,0|1,0,2]=4 6484 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,1,0,0,0,0|0,0,1]=2 6485 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,1,0,0,0,0|0,0,1]=2 6486 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,0,0,0,0|1,0,1]=3 6487 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,1,0,0,0,0|1,0,1]=3 6488 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,0,0,0,0|1,0,1]=3 6489 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,0,0,0,0|1,0,1]=3 6490 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,1,0,0,0,0|1,0,2]=4 6491 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,1,0,0,0,0|1,0,2]=4 6492 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,1,0,0,0,0|0,0,3]=4 6493 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,1,0,0,0,0|0,0,3]=4 6494 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,1,0,0,0,0|2,0,1]=4 6495 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,1,0,0,0,0|2,0,1]=4 6496 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,1,0,0,0,0|2,0,1]=4 6497 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,1,0,0,0,0|1,0,2]=4 6498 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [0,1,0,0,0,0|1,0,0]=2 6499 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [0,1,0,0,0,0|1,0,0]=2 6500 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [0,1,0,0,0,0|1,0,0]=2 6501 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [0,1,0,0,0,0|1,0,0]=2 6502 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [0,1,0,0,0,0|2,0,0]=3 6503 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [0,1,0,0,0,0|2,0,0]=3 6504 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [0,1,0,0,0,0|2,0,0]=3 6505 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [0,1,0,0,0,0|2,0,0]=3 6506 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [0,1,0,0,0,0|2,0,0]=3 6507 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [0,1,0,0,0,0|2,0,0]=3 6508 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [0,1,0,0,0,0|2,0,0]=3 6509 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [0,1,0,0,0,0|2,0,0]=3 6510 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,1,0,0,0,0|2,0,1]=4 6511 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,1,0,0,0,0|2,0,1]=4 6512 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,1,0,0,0,0|2,0,1]=4 6513 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,1,0,0,0,0|2,0,1]=4 6514 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,1,0,0,0,0|2,0,1]=4 6515 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,1,0,0,0,0|2,0,1]=4 6516 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,1,0,0,0,0|2,0,1]=4 6517 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,1,0,0,0,0|2,0,1]=4 6518 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [0,1,0,0,0,0|1,0,0]=2 6519 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [0,1,0,0,0,0|2,0,0]=3 6520 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [0,1,0,0,0,0|2,0,0]=3 6521 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [0,1,0,0,0,0|2,0,0]=3 6522 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [0,1,0,0,0,0|2,0,0]=3 6523 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [0,1,0,0,0,0|2,0,0]=3 6524 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [0,1,0,0,0,0|2,0,0]=3 6525 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,1,0,0,0,0|2,0,1]=4 6526 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,1,0,0,0,0|2,0,1]=4 6527 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,1,0,0,0,0|2,0,1]=4 6528 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,1,0,0,0,0|2,0,1]=4 6529 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,1,0,0,0,0|2,0,1]=4 6530 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,1,0,0,0,0|1,0,2]=4 6531 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,1,0,0,0,0|1,0,2]=4 6532 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,1,0,0,0,0|2,0,1]=4 6533 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,1,0,0,0,0|2,0,1]=4 6534 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [0,1,0,0,0,0|1,0,1]=3 6535 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [0,1,0,0,0,0|2,0,1]=4 6536 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [0,1,0,0,0,0|2,0,1]=4 6537 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [0,1,0,0,0,0|2,0,0]=3 6538 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [0,1,0,0,0,0|2,0,0]=3 6539 B11R0.154 CCCCNC(C)CC(C)CC 2230a_100000763565_100000210211 [0,1,0,0,0,0|2,0,1]=4 6540 B11R0.154 CCCCNC(C)CC(C)CC 270004a_100000102301_100011710205 [0,1,0,0,0,0|2,0,1]=4 6541 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,1,0,0,0,0|1,0,1]=3 6542 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [0,1,0,0,0,0|2,0,1]=4 6543 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [0,1,0,0,0,0|2,0,0]=3 6544 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [0,1,0,0,0,0|2,0,0]=3 6545 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [0,1,0,0,0,0|2,0,0]=3 6546 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [0,1,0,0,0,0|2,0,0]=3 6547 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [0,1,0,0,0,0|1,0,1]=3 6548 B11R0.154 CCCOCC(=O)CC(=O)NC 1458a_100000745993_100000183359 [0,1,0,0,0,0|2,0,1]=4 6549 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [0,1,0,0,0,0|2,0,1]=4 6550 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [0,1,0,0,0,0|2,0,0]=3 6551 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [0,1,0,0,0,0|1,0,1]=3 6552 B11R0.154 CCCSCC(=O)CC(=O)NC 1458a_100000217233_100000183359 [0,1,0,0,0,0|2,0,1]=4 6553 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [0,1,0,0,0,0|2,0,1]=4 6554 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [0,1,0,0,0,0|2,0,1]=4 6555 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [0,1,0,0,0,0|2,0,1]=4 6556 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [0,1,0,0,0,0|2,0,0]=3 6557 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [0,1,0,0,0,0|2,0,0]=3 6558 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [0,1,0,0,0,0|1,0,1]=3 6559 B11R0.154 CCOCCC(=O)CC(=O)NC 1458a_100000749530_100000183359 [0,1,0,0,0,0|2,0,1]=4 6560 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [0,1,0,0,0,0|2,0,1]=4 6561 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [0,1,0,0,0,0|2,0,1]=4 6562 B11R0.154 CCOCCN(C)CC(=O)NC 2230a_100000189611_100011215890 [0,1,0,0,0,0|3,0,0]=4 6563 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [0,1,0,0,0,0|3,0,0]=4 6564 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [0,1,0,0,0,0|3,0,0]=4 6565 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [0,1,0,0,0,0|3,0,0]=4 6566 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [0,1,0,0,0,0|1,0,1]=3 6567 B11R0.154 CCSCCC(=O)CC(=O)NC 1458a_100000230768_100000183359 [0,1,0,0,0,0|2,0,1]=4 6568 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [0,1,0,0,0,0|2,0,1]=4 6569 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [0,1,0,0,0,0|2,0,1]=4 6570 B11R0.154 CCSCCN(C)CC(=O)NC 2230a_100000189611_100000757381 [0,1,0,0,0,0|3,0,0]=4 6571 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [0,1,0,0,0,0|3,0,0]=4 6572 B11R0.154 CNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183359 [0,1,0,0,0,0|2,0,1]=4 6573 B11R0.154 CNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183359 [0,1,0,0,0,0|2,0,1]=4 6574 B11R0.154 CNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183359 [0,1,0,0,0,0|2,0,1]=4 6575 B11R0.154 CNC(=O)CN(C)CCCCF 2230a_100000189611_100000729493 [0,1,0,0,0,0|3,0,0]=4 6576 B11R0.154 CNC(=O)CN(C)CCCCO 2230a_100000189611_100000210776 [0,1,0,0,0,0|3,0,0]=4 6577 B11R0.154 CNC(=O)CN(C)CCCCO 2230a_100000717598_100000183359 [0,1,0,0,0,0|3,0,0]=4 6578 B11R0.154 CNC(=O)CN(C)CCCCO 269982a_100000717598_100000183359 [0,1,0,0,0,0|3,0,0]=4 6579 B11R0.154 CNC(=O)CN(C)CCCOC 2230a_100000189611_100000740836 [0,1,0,0,0,0|3,0,0]=4 6580 B11R0.154 CNC(=O)CN(C)CCCOC 2230a_100000224831_100000183359 [0,1,0,0,0,0|3,0,0]=4 6581 B11R0.154 CNC(=O)CN(C)CCCOC 269982a_100000224831_100000183359 [0,1,0,0,0,0|3,0,0]=4 6582 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [0,1,0,0,0,0|2,0,1]=4 6583 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [0,1,0,0,0,0|2,0,1]=4 6584 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [0,1,0,0,0,0|2,0,1]=4 6585 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [0,1,0,0,0,0|2,0,1]=4 6586 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [0,1,0,0,0,0|3,0,0]=4 6587 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [0,1,0,0,0,0|3,0,0]=4 6588 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [0,1,0,0,0,0|3,0,0]=4 6589 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [0,1,0,0,0,0|3,0,0]=4 6590 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [0,1,0,0,0,0|3,0,0]=4 6591 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [0,1,0,0,0,0|3,0,0]=4 6592 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [0,1,0,0,0,0|3,0,0]=4 6593 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [0,1,0,0,0,0|3,0,0]=4 6594 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [0,1,0,0,0,0|3,0,0]=4 6595 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [0,1,0,0,0,0|3,0,0]=4 6596 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [0,1,0,0,0,0|3,0,0]=4 6597 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [0,1,0,0,0,0|3,0,0]=4 6598 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [0,1,0,0,0,0|3,0,0]=4 6599 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [0,1,0,0,0,0|3,0,0]=4 6600 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [0,1,0,0,0,0|3,0,0]=4 6601 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [0,1,0,0,0,0|3,0,0]=4 6602 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [0,1,0,0,0,0|3,0,0]=4 6603 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [0,1,0,0,0,0|3,0,0]=4 6604 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [0,1,0,0,0,0|3,0,0]=4 6605 B11R0.154 COC(=O)C[C@@H](O)CNCCF 34a_100000724931_100000754131 [0,1,0,0,0,0|3,0,0]=4 6606 B11R0.154 COC(=O)C[C@@H](O)CNCCO 34a_100016990907_100000754131 [0,1,0,0,0,0|3,0,0]=4 6607 B11R0.154 COC(=O)C[C@@H](O)COCCBr 34a_100000211926_100000754131 [0,1,0,0,0,0|3,0,0]=4 6608 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [0,1,0,0,0,0|3,0,0]=4 6609 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100000754131_100011217306 [0,1,0,0,0,0|3,0,0]=4 6610 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100011217306_100000754131 [0,1,0,0,0,0|3,0,0]=4 6611 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [0,1,0,0,0,0|3,0,0]=4 6612 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [0,1,0,0,0,0|3,0,0]=4 6613 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100000754131_100011218213 [0,1,0,0,0,0|3,0,0]=4 6614 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100011218213_100000754131 [0,1,0,0,0,0|3,0,0]=4 6615 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [0,1,0,0,0,0|2,0,1]=4 6616 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [0,1,0,0,0,0|2,0,1]=4 6617 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [0,1,0,0,0,0|3,0,0]=4 6618 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [0,1,0,0,0,0|3,0,0]=4 6619 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [0,1,0,0,0,0|3,0,0]=4 6620 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [0,1,0,0,0,0|3,0,0]=4 6621 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [0,1,0,0,0,0|3,0,0]=4 6622 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [0,1,0,0,0,0|3,0,0]=4 6623 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [0,1,0,0,0,0|3,0,0]=4 6624 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000754131_100000766300 [0,1,0,0,0,0|3,0,0]=4 6625 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000766300_100000754131 [0,1,0,0,0,0|3,0,0]=4 6626 B11R0.174 C=CCC(C)COCC(=O)CC 7a_100009832082_100000747405 [0,1,0,0,0,0|1,0,2]=4 6627 B11R0.174 CCC(=O)COCC(O)COC 34a_100000725409_100011215053 [0,1,0,0,0,0|2,0,0]=3 6628 B11R0.174 CCC(=O)CSCC(O)COC 62a_100000747405_100011215053 [0,1,0,0,0,0|2,0,0]=3 6629 B11R0.174 CCC(=O)CSCC(O)COC 62a_100011215053_100000747405 [0,1,0,0,0,0|2,0,0]=3 6630 B11R0.174 CCC(=O)CSC[C@@H](O)CC#N 62a_100000001066_100000747405 [0,1,0,0,0,0|2,0,1]=4 6631 B11R0.174 CCC(=O)CSC[C@@H](O)CC#N 62a_100000747405_100000001066 [0,1,0,0,0,0|2,0,1]=4 6632 B11R0.174 CCC(=O)NNCC(O)CSC 22a_200000122717_100000210414 [0,1,0,0,0,0|3,0,0]=4 6633 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|1,0,1]=3 6634 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|1,0,1]=3 6635 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|1,0,1]=3 6636 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,1,0,0,0,0|2,0,1]=4 6637 B11R0.174 CCCC(=O)CCOC(=O)NC 1458a_100000211992_200011997002 [0,1,0,0,0,0|2,0,1]=4 6638 B11R0.174 CCCC(=O)CNCC(=O)NC 2230a_100000693194_100000747444 [0,1,0,0,0,0|2,0,1]=4 6639 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,1,0,0,0,0|1,0,1]=3 6640 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,1,0,0,0,0|1,0,1]=3 6641 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000183359_100000747444 [0,1,0,0,0,0|2,0,1]=4 6642 B11R0.174 CCCC(=O)CSCC(=O)NC 62a_100000747444_100000183359 [0,1,0,0,0,0|2,0,1]=4 6643 B11R0.174 CCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210303 [0,1,0,0,0,0|2,0,1]=4 6644 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747444_100000747449 [0,1,0,0,0,0|2,0,1]=4 6645 B11R0.174 CCCC(=O)CSCC(=O)OC 62a_100000747449_100000747444 [0,1,0,0,0,0|2,0,1]=4 6646 B11R0.174 CCCC(=O)NCCC(=O)NC 11a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 6647 B11R0.174 CCCC(=O)NCCC(=O)NC 240690a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 6648 B11R0.174 CCCC(=O)NCCC(=O)NC 527a_100000738227_100000211992 [0,1,0,0,0,0|2,0,1]=4 6649 B11R0.174 CCCC(=O)NCCC(=O)OC 188690a_100000683876_100000211992 [0,1,0,0,0,0|2,0,1]=4 6650 B11R0.174 CCCC(C)C=NNC(=O)CC 4a_100000183195_100000243154 [0,1,0,0,0,0|2,0,1]=4 6651 B11R0.174 CCCC(C)CCOC(C)CC 34a_100011217855_100011215416 [0,1,0,0,0,0|2,0,1]=4 6652 B11R0.174 CCCC(C)CCOC(C)CC 7a_100011217855_100000758301 [0,1,0,0,0,0|2,0,1]=4 6653 B11R0.174 CCCC(C)CNCC(=O)NC 2230a_100000693194_100011216630 [0,1,0,0,0,0|2,0,0]=3 6654 B11R0.174 CCCC(C)CNCC(=O)NC 270004a_100000693194_100000243154 [0,1,0,0,0,0|2,0,0]=3 6655 B11R0.174 CCCC(C)CNCC(C)CC 2230a_100020588543_100011216630 [0,1,0,0,0,0|2,0,1]=4 6656 B11R0.174 CCCC(C)CNCC(C)CC 270004a_100020588543_100000243154 [0,1,0,0,0,0|2,0,1]=4 6657 B11R0.174 CCCC(C)CNCC(O)CC 2230a_100011218483_100011216630 [0,1,0,0,0,0|1,0,2]=4 6658 B11R0.174 CCCC(C)CNCC(O)CC 270004a_100011218483_100000243154 [0,1,0,0,0,0|1,0,2]=4 6659 B11R0.174 CCCC(C)COCC(=O)CC 34a_100000725409_100011216630 [0,1,0,0,0,0|1,0,0]=2 6660 B11R0.174 CCCC(C)COCC(=O)CC 7a_100000688023_100000747405 [0,1,0,0,0,0|1,0,0]=2 6661 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000688023_100000183359 [0,1,0,0,0,0|2,0,0]=3 6662 B11R0.174 CCCC(C)COCC(=O)NC 34a_100000750040_100011216630 [0,1,0,0,0,0|2,0,0]=3 6663 B11R0.174 CCCC(C)COCC(=O)NC 7a_100000688023_100000183359 [0,1,0,0,0,0|2,0,0]=3 6664 B11R0.174 CCCC(C)COCC(=O)OC 34a_100000688023_100000747449 [0,1,0,0,0,0|2,0,0]=3 6665 B11R0.174 CCCC(C)COCC(=O)OC 7a_100000688023_100000747449 [0,1,0,0,0,0|2,0,0]=3 6666 B11R0.174 CCCC(C)COCC(C)CC 34a_100000688023_100000748023 [0,1,0,0,0,0|2,0,1]=4 6667 B11R0.174 CCCC(C)COCC(C)CC 7a_100000688023_100000748023 [0,1,0,0,0,0|2,0,1]=4 6668 B11R0.174 CCCC(C)COCC(O)CC 34a_100000688023_100011218378 [0,1,0,0,0,0|1,0,2]=4 6669 B11R0.174 CCCC(C)COCC(O)CC 7a_100000688023_100011218378 [0,1,0,0,0,0|1,0,2]=4 6670 B11R0.174 CCCC(C)COC[C@@H](C)CC 34a_100000688023_100009816398 [0,1,0,0,0,0|2,0,1]=4 6671 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100000688023_100009816398 [0,1,0,0,0,0|2,0,1]=4 6672 B11R0.174 CCCC(C)COC[C@@H](C)CC 7a_100009816381_100011216630 [0,1,0,0,0,0|2,0,1]=4 6673 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100000747405_100011216630 [0,1,0,0,0,0|1,0,0]=2 6674 B11R0.174 CCCC(C)CSCC(=O)CC 62a_100011216630_100000747405 [0,1,0,0,0,0|1,0,0]=2 6675 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100000183359_100011216630 [0,1,0,0,0,0|2,0,0]=3 6676 B11R0.174 CCCC(C)CSCC(=O)NC 62a_100011216630_100000183359 [0,1,0,0,0,0|2,0,0]=3 6677 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100000747449_100011216630 [0,1,0,0,0,0|2,0,0]=3 6678 B11R0.174 CCCC(C)CSCC(=O)OC 62a_100011216630_100000747449 [0,1,0,0,0,0|2,0,0]=3 6679 B11R0.174 CCCC(C)CSCC(C)CC 62a_100000748023_100011216630 [0,1,0,0,0,0|2,0,1]=4 6680 B11R0.174 CCCC(C)CSCC(C)CC 62a_100011216630_100000748023 [0,1,0,0,0,0|2,0,1]=4 6681 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011216630_100011218378 [0,1,0,0,0,0|1,0,2]=4 6682 B11R0.174 CCCC(C)CSCC(O)CC 62a_100011218378_100011216630 [0,1,0,0,0,0|1,0,2]=4 6683 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100009816398_100011216630 [0,1,0,0,0,0|2,0,1]=4 6684 B11R0.174 CCCC(C)CSC[C@@H](C)CC 62a_100011216630_100009816398 [0,1,0,0,0,0|2,0,1]=4 6685 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000738227_100000766640 [0,1,0,0,0,0|2,0,0]=3 6686 B11R0.174 CCCC(C)NCCC(=O)NC 2230a_100000741246_100000737683 [0,1,0,0,0,0|2,0,0]=3 6687 B11R0.174 CCCC(C)NCCC(=O)NC 270004a_100000738227_100000211909 [0,1,0,0,0,0|2,0,0]=3 6688 B11R0.174 CCCC(C)NCCC(=O)NC 34a_100000738227_100000766640 [0,1,0,0,0,0|2,0,0]=3 6689 B11R0.174 CCCC(C)NCCC(=O)OC 2230a_100000741246_100000204255 [0,1,0,0,0,0|2,0,0]=3 6690 B11R0.174 CCCC(C)NCCC(C)CC 2230a_100020591266_100000766640 [0,1,0,0,0,0|2,0,1]=4 6691 B11R0.174 CCCC(C)NCCC(C)CC 270004a_100020591266_100000211909 [0,1,0,0,0,0|2,0,1]=4 6692 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000754576_100000766640 [0,1,0,0,0,0|2,0,0]=3 6693 B11R0.174 CCCC(C)OCCC(=O)NC 34a_100000764384_100012179268 [0,1,0,0,0,0|2,0,0]=3 6694 B11R0.174 CCCC(C)OCCC(=O)NC 7a_100000764384_100000737683 [0,1,0,0,0,0|2,0,0]=3 6695 B11R0.174 CCCC(C)OCCC(=O)OC 34a_100000764384_100000742370 [0,1,0,0,0,0|2,0,0]=3 6696 B11R0.174 CCCC(C)OCCC(=O)OC 7a_100000764384_100000204255 [0,1,0,0,0,0|2,0,0]=3 6697 B11R0.174 CCCC(C)OCCC(C)CC 7a_100011215188_100000766640 [0,1,0,0,0,0|2,0,1]=4 6698 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000737683_100000766640 [0,1,0,0,0,0|2,0,0]=3 6699 B11R0.174 CCCC(C)SCCC(=O)NC 62a_100000766640_100000737683 [0,1,0,0,0,0|2,0,0]=3 6700 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000204255_100000766640 [0,1,0,0,0,0|2,0,0]=3 6701 B11R0.174 CCCC(C)SCCC(=O)OC 62a_100000766640_100000204255 [0,1,0,0,0,0|2,0,0]=3 6702 B11R0.174 CCCC(C)SCOC(=O)OC 62a_100000766640_100000139417 [0,1,0,0,0,0|3,0,0]=4 6703 B11R0.174 CCCN(C)CCCC(=O)NC 2230a_100000747261_100000741757 [0,1,0,0,0,0|2,0,0]=3 6704 B11R0.174 CCCN(C)CCCC(=O)NC 269982a_100000747261_100000741757 [0,1,0,0,0,0|2,0,0]=3 6705 B11R0.174 CCCN(C)CCCC(=O)OC 2230a_100000747261_100011218270 [0,1,0,0,0,0|2,0,0]=3 6706 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000739225_100000210303 [0,1,0,0,0,0|2,0,0]=3 6707 B11R0.174 CCCN(C)CCCC(=O)OC 269982a_100000747261_100011218270 [0,1,0,0,0,0|2,0,0]=3 6708 B11R0.174 CCCN(C)CCCN(C)CC 2230a_100000747261_100015186262 [0,1,0,0,0,0|3,0,0]=4 6709 B11R0.174 CCCN(C)CCCN(C)CC 269982a_100000747261_100015186262 [0,1,0,0,0,0|3,0,0]=4 6710 B11R0.174 CCCN(C)CCOC(=O)NC 269982a_100000747261_200011997002 [0,1,0,0,0,0|3,0,0]=4 6711 B11R0.174 CCC[C@H](N)CCOC(C)CC 34a_100015193777_100011215416 [0,1,0,0,0,0|2,0,1]=4 6712 B11R0.174 CCC[C@H](N)COCC(=O)NC 34a_100000732646_100000183359 [0,1,0,0,0,0|2,0,0]=3 6713 B11R0.174 CCC[C@H](N)COCC(=O)OC 34a_100000732646_100000747449 [0,1,0,0,0,0|2,0,0]=3 6714 B11R0.174 CCC[C@H](N)COCC(C)CC 34a_100000732646_100000748023 [0,1,0,0,0,0|2,0,1]=4 6715 B11R0.174 CCC[C@H](N)COCC(O)CC 34a_100000732646_100011218378 [0,1,0,0,0,0|1,0,2]=4 6716 B11R0.174 CCC[C@H](N)COC[C@@H](C)CC 34a_100000732646_100009816398 [0,1,0,0,0,0|2,0,1]=4 6717 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,1,0,0,0,0|1,0,1]=3 6718 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,1,0,0,0,0|2,0,1]=4 6719 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,1,0,0,0,0|2,0,1]=4 6720 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 6721 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 6722 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 6723 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,1,0,0,0,0|2,0,1]=4 6724 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,1,0,0,0,0|2,0,1]=4 6725 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,1,0,0,0,0|2,0,1]=4 6726 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,1,0,0,0,0|2,0,1]=4 6727 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,1,0,0,0,0|2,0,1]=4 6728 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,1,0,0,0,0|2,0,1]=4 6729 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,1,0,0,0,0|2,0,1]=4 6730 B11R0.174 CCNC(=O)COCC(=O)CC 34a_100000725409_100000183381 [0,1,0,0,0,0|2,0,1]=4 6731 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000183381_100000747405 [0,1,0,0,0,0|2,0,1]=4 6732 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183381 [0,1,0,0,0,0|2,0,1]=4 6733 B11R0.174 CCNC(=S)SCCC(=O)CC 1458a_200009862762_100000210202 [0,1,0,0,0,0|2,0,1]=4 6734 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,1,0,0,0,0|1,0,1]=3 6735 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,1,0,0,0,0|1,0,1]=3 6736 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,1,0,0,0,0|2,0,1]=4 6737 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,1,0,0,0,0|2,0,1]=4 6738 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,1,0,0,0,0|2,0,1]=4 6739 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 6740 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 6741 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,1,0,0,0,0|2,0,1]=4 6742 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,1,0,0,0,0|2,0,1]=4 6743 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,1,0,0,0,0|2,0,1]=4 6744 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,1,0,0,0,0|2,0,1]=4 6745 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,1,0,0,0,0|2,0,1]=4 6746 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,1,0,0,0,0|2,0,1]=4 6747 B11R0.174 CNC(=O)CCCC(=O)CCO 1458a_100011216618_100000741757 [0,1,0,0,0,0|2,0,1]=4 6748 B11R0.174 CNC(=O)CCCC(=O)COC 1458a_100000210968_100000741757 [0,1,0,0,0,0|2,0,1]=4 6749 B11R0.174 CNC(=O)CCCC(=O)CSC 1458a_100000184570_100000741757 [0,1,0,0,0,0|2,0,1]=4 6750 B11R0.174 CNC(=O)CCCN(C)CCO 2230a_100000210263_100000741757 [0,1,0,0,0,0|3,0,0]=4 6751 B11R0.174 CNC(=O)CCCN(C)CCO 269982a_100000210263_100000741757 [0,1,0,0,0,0|3,0,0]=4 6752 B11R0.174 CNC(=O)CCNC(C)CCO 2230a_100000738227_100009893172 [0,1,0,0,0,0|3,0,0]=4 6753 B11R0.174 CNC(=O)CCNC(C)CCO 34a_100000738227_100009893172 [0,1,0,0,0,0|3,0,0]=4 6754 B11R0.174 CNC(=O)CCNC(C)COC 2230a_100000738227_100000765312 [0,1,0,0,0,0|3,0,0]=4 6755 B11R0.174 CNC(=O)CCNC(C)COC 270004a_100000738227_100000749346 [0,1,0,0,0,0|3,0,0]=4 6756 B11R0.174 CNC(=O)CCNC(C)COC 34a_100000738227_100000765312 [0,1,0,0,0,0|3,0,0]=4 6757 B11R0.174 CNC(=O)CCNC(C)CSC 270004a_100000738227_100011216314 [0,1,0,0,0,0|3,0,0]=4 6758 B11R0.174 CNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737683 [0,1,0,0,0,0|3,0,0]=4 6759 B11R0.174 CNC(=O)CCN[C@H](C)CCO 34a_100000706166_100012179268 [0,1,0,0,0,0|3,0,0]=4 6760 B11R0.174 CNC(=O)CCN[C@H](C)COC 2230a_100000764878_100000737683 [0,1,0,0,0,0|3,0,0]=4 6761 B11R0.174 CNC(=O)CCOC(C)CCBr 34a_100012276601_100012179268 [0,1,0,0,0,0|3,0,0]=4 6762 B11R0.174 CNC(=O)CCOC(C)CCO 34a_100000754576_100009893172 [0,1,0,0,0,0|3,0,0]=4 6763 B11R0.174 CNC(=O)CCOC(C)COC 34a_100000754576_100000765312 [0,1,0,0,0,0|3,0,0]=4 6764 B11R0.174 CNC(=O)CCO[C@H](C)COC 34a_100011934205_100012179268 [0,1,0,0,0,0|3,0,0]=4 6765 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100000737683_100009893172 [0,1,0,0,0,0|3,0,0]=4 6766 B11R0.174 CNC(=O)CCSC(C)CCO 62a_100009893172_100000737683 [0,1,0,0,0,0|3,0,0]=4 6767 B11R0.174 CNC(=O)CCSC(C)COC 62a_100000737683_100000765312 [0,1,0,0,0,0|3,0,0]=4 6768 B11R0.174 CNC(=O)CCSC(C)COC 62a_100000765312_100000737683 [0,1,0,0,0,0|3,0,0]=4 6769 B11R0.174 CNC(=O)CNCC(O)COC 2230a_100000756049_100000183359 [0,1,0,0,0,0|3,0,0]=4 6770 B11R0.174 CNC(=O)CNCC(O)COC 34a_100000756049_100000183359 [0,1,0,0,0,0|3,0,0]=4 6771 B11R0.174 CNC(=O)COCC(C)CCN 34a_106354213184_100000183359 [0,1,0,0,0,0|3,0,0]=4 6772 B11R0.174 CNC(=O)COCC(N)COC 34a_100000724102_100000183359 [0,1,0,0,0,0|3,0,0]=4 6773 B11R0.174 CNC(=O)COCC(O)COC 34a_100000750040_100011215053 [0,1,0,0,0,0|3,0,0]=4 6774 B11R0.174 CNC(=O)CSCC(O)COC 62a_100000183359_100011215053 [0,1,0,0,0,0|3,0,0]=4 6775 B11R0.174 CNC(=O)CSCC(O)COC 62a_100011215053_100000183359 [0,1,0,0,0,0|3,0,0]=4 6776 B11R0.174 COC(=O)CCCC(=O)CCF 1458a_100000239890_100011217306 [0,1,0,0,0,0|2,0,1]=4 6777 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100000239890_100000211926 [0,1,0,0,0,0|2,0,1]=4 6778 B11R0.174 COC(=O)CCCC(=O)CCO 1458a_100011216618_100011218270 [0,1,0,0,0,0|2,0,1]=4 6779 B11R0.174 COC(=O)CCCC(=O)CSC 1458a_100000184570_100011218270 [0,1,0,0,0,0|2,0,1]=4 6780 B11R0.174 COC(=O)CCCN(C)CCF 269982a_100000739225_100011217306 [0,1,0,0,0,0|3,0,0]=4 6781 B11R0.174 COC(=O)CCCN(C)CCO 2230a_100000210263_100011218270 [0,1,0,0,0,0|3,0,0]=4 6782 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000210263_100011218270 [0,1,0,0,0,0|3,0,0]=4 6783 B11R0.174 COC(=O)CCCN(C)CCO 269982a_100000739225_100000211926 [0,1,0,0,0,0|3,0,0]=4 6784 B11R0.174 COC(=O)CCCN(C)CSC 269982a_100000739225_100011218213 [0,1,0,0,0,0|3,0,0]=4 6785 B11R0.174 COC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000204255 [0,1,0,0,0,0|3,0,0]=4 6786 B11R0.174 COC(=O)CCN[C@H](C)CCO 34a_100000706166_100000742370 [0,1,0,0,0,0|3,0,0]=4 6787 B11R0.174 COC(=O)CCOC(C)CCBr 34a_100012276601_100000742370 [0,1,0,0,0,0|3,0,0]=4 6788 B11R0.174 COC(=O)CCSC(C)CCO 62a_100000204255_100009893172 [0,1,0,0,0,0|3,0,0]=4 6789 B11R0.174 COC(=O)CCSC(C)CCO 62a_100009893172_100000204255 [0,1,0,0,0,0|3,0,0]=4 6790 B11R0.174 COC(=O)COCC(C)CCN 34a_106354213184_100000747449 [0,1,0,0,0,0|3,0,0]=4 6791 B11R0.174 COCC(=O)CCCC(=O)OC 1458a_100000210968_100011218270 [0,1,0,0,0,0|2,0,1]=4 6792 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000204255_100000765312 [0,1,0,0,0,0|3,0,0]=4 6793 B11R0.174 COCC(C)SCCC(=O)OC 62a_100000765312_100000204255 [0,1,0,0,0,0|3,0,0]=4 6794 B11R0.174 COCC(N)COCC(=O)OC 34a_100000724102_100000747449 [0,1,0,0,0,0|3,0,0]=4 6795 B11R0.174 COCC(O)CNCC(=O)OC 2230a_100000756049_100000747449 [0,1,0,0,0,0|3,0,0]=4 6796 B11R0.174 COCC(O)CNCC(=O)OC 34a_100000756049_100000747449 [0,1,0,0,0,0|3,0,0]=4 6797 B11R0.174 COCC(O)CSCC(=O)OC 62a_100000747449_100011215053 [0,1,0,0,0,0|3,0,0]=4 6798 B11R0.174 COCC(O)CSCC(=O)OC 62a_100011215053_100000747449 [0,1,0,0,0,0|3,0,0]=4 6799 B11R0.174 COCN(C)CCCC(=O)OC 269982a_100000739225_100000766300 [0,1,0,0,0,0|3,0,0]=4 6800 B11R0.174 COC[C@@H](C)NCCC(=O)OC 2230a_100000764878_100000204255 [0,1,0,0,0,0|3,0,0]=4 6801 B11R0.174 COC[C@@H](C)OCCC(=O)OC 34a_100011934205_100000742370 [0,1,0,0,0,0|3,0,0]=4 6802 B11R1.1 C#CCOC1CCC(=O)CC1 34a_100000764474_100000184674 [0,0,0,1,0,0|1,0,2]=4 6803 B11R1.1 C#CCOC1CCC(=O)CC1 7a_100000764474_100000038162 [0,0,0,1,0,0|1,0,2]=4 6804 B11R1.1 C=C1CCC(CC1)COCC 34a_100000074039_100000210202 [0,0,0,1,0,0|2,0,0]=3 6805 B11R1.1 C=C1CCC(CC1)COCF 34a_100000074039_100015361967 [0,0,0,1,0,0|3,0,0]=4 6806 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [0,0,0,1,0,0|2,0,0]=3 6807 B11R1.1 C=C1CCC(CC1)NCCO 270004a_100000210304_100010272673 [0,0,0,1,0,0|3,0,0]=4 6808 B11R1.1 C=C1CCN(CC1)CCCC 2230a_100000752442_100000210211 [0,0,0,1,0,0|2,0,0]=3 6809 B11R1.1 C=C1CCN(CC1)CCCC 269982a_100000752442_100000210211 [0,0,0,1,0,0|2,0,0]=3 6810 B11R1.1 C=C1CCN(CC1)CCCC 34a_100000752442_100000210210 [0,0,0,1,0,0|2,0,0]=3 6811 B11R1.1 C=C1CCN(CC1)CCCF 2230a_100000752442_100011934791 [0,0,0,1,0,0|3,0,0]=4 6812 B11R1.1 C=C1CCN(CC1)CCCF 269982a_100000752442_100011934791 [0,0,0,1,0,0|3,0,0]=4 6813 B11R1.1 C=C1CCN(CC1)CCCF 34a_100000752442_100011934791 [0,0,0,1,0,0|3,0,0]=4 6814 B11R1.1 C=C1CCN(CC1)CCCO 2230a_100000752442_100000230001 [0,0,0,1,0,0|3,0,0]=4 6815 B11R1.1 C=C1CCN(CC1)CCCO 269982a_100000752442_100011215043 [0,0,0,1,0,0|3,0,0]=4 6816 B11R1.1 C=C1CCN(CC1)CCCO 34a_100000752442_100000230001 [0,0,0,1,0,0|3,0,0]=4 6817 B11R1.1 C=C1CCN(CC1)CCOC 2230a_100000752442_100011201679 [0,0,0,1,0,0|3,0,0]=4 6818 B11R1.1 C=C1CCN(CC1)CCOC 269982a_100000752442_100000233755 [0,0,0,1,0,0|3,0,0]=4 6819 B11R1.1 C=C1CCN(CC1)CCOC 34a_100000752442_100011201679 [0,0,0,1,0,0|3,0,0]=4 6820 B11R1.1 C=C1CCN(CC1)CCSC 2230a_100000752442_100000751147 [0,0,0,1,0,0|3,0,0]=4 6821 B11R1.1 C=C1CCN(CC1)CCSC 269982a_100000752442_100000212216 [0,0,0,1,0,0|3,0,0]=4 6822 B11R1.1 C=C1CCN(CC1)CCSC 34a_100000752442_100000212216 [0,0,0,1,0,0|3,0,0]=4 6823 B11R1.1 C=C1CCN(CC1)COCC 269982a_100000752442_100000739092 [0,0,0,1,0,0|3,0,0]=4 6824 B11R1.1 C=CCOC1CCC(=O)CC1 34a_100000764474_100015514636 [0,0,0,1,0,0|1,0,2]=4 6825 B11R1.1 C=CCOC1CCC(=O)CC1 7a_100000764474_100015514636 [0,0,0,1,0,0|1,0,2]=4 6826 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [0,0,0,1,0,0|2,0,0]=3 6827 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [0,0,0,1,0,0|2,0,0]=3 6828 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [0,0,0,1,0,0|2,0,0]=3 6829 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [0,0,0,1,0,0|2,0,0]=3 6830 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [0,0,0,1,0,0|2,0,0]=3 6831 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [0,0,0,1,0,0|2,0,0]=3 6832 B11R1.1 CCCCN1CC=C(CC1)C 2230a_100000693516_100000210211 [0,0,0,1,0,0|2,0,1]=4 6833 B11R1.1 CCCCN1CC=C(CC1)C 269982a_100000693516_100000210211 [0,0,0,1,0,0|2,0,1]=4 6834 B11R1.1 CCCCN1CC=C(CC1)C 34a_100000693516_100000210210 [0,0,0,1,0,0|2,0,1]=4 6835 B11R1.1 CCCCN1CCC(CC1)C 2230a_100000188429_100000210211 [0,0,0,1,0,0|2,0,1]=4 6836 B11R1.1 CCCCN1CCC(CC1)C 269982a_100000188429_100000210211 [0,0,0,1,0,0|2,0,1]=4 6837 B11R1.1 CCCCN1CCC(CC1)C 34a_100000188429_100000210210 [0,0,0,1,0,0|2,0,1]=4 6838 B11R1.1 CCCCN1CCC(CC1)F 2230a_100015193889_100000210211 [0,0,0,1,0,0|2,0,1]=4 6839 B11R1.1 CCCCN1CCC(CC1)F 269982a_100015193889_100000210211 [0,0,0,1,0,0|2,0,1]=4 6840 B11R1.1 CCCCN1CCC(CC1)F 34a_100015193889_100000210210 [0,0,0,1,0,0|2,0,1]=4 6841 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [0,0,0,1,0,0|1,0,2]=4 6842 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [0,0,0,1,0,0|1,0,2]=4 6843 B11R1.1 CCCCN1CCN(CC1)C 2230a_100000188432_100000210211 [0,0,0,1,0,0|3,0,0]=4 6844 B11R1.1 CCCCN1CCN(CC1)C 2230a_100011194250_200000210301 [0,0,0,1,0,0|3,0,0]=4 6845 B11R1.1 CCCCN1CCN(CC1)C 269982a_100000188432_100000210211 [0,0,0,1,0,0|3,0,0]=4 6846 B11R1.1 CCCCN1CCN(CC1)C 269982a_100011194250_200000210301 [0,0,0,1,0,0|3,0,0]=4 6847 B11R1.1 CCCCN1CCN(CC1)[13CH3] 2230a_100011194250_200025704644 [0,0,0,1,0,0|3,0,0]=4 6848 B11R1.1 CCCCN1CCN(CC1)[13CH3] 269982a_100011194250_200025704644 [0,0,0,1,0,0|3,0,0]=4 6849 B11R1.1 CCCCN1CCS(=O)CC1 2230a_100000752083_100000210211 [0,0,0,1,0,0|2,0,0]=3 6850 B11R1.1 CCCCN1CCS(=O)CC1 269982a_100000752083_100000210211 [0,0,0,1,0,0|2,0,0]=3 6851 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [0,0,0,1,0,0|2,0,0]=3 6852 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [0,0,0,1,0,0|2,0,0]=3 6853 B11R1.1 CCCNC1CCC(CC1)C 270004a_100020643023_100000185489 [0,0,0,1,0,0|2,0,1]=4 6854 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [0,0,0,1,0,0|1,0,2]=4 6855 B11R1.1 CCCNC1CCN(CC1)C 270004a_100020643023_100000210137 [0,0,0,1,0,0|3,0,0]=4 6856 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210303 [0,0,0,1,0,0|2,0,1]=4 6857 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210303 [0,0,0,1,0,0|2,0,1]=4 6858 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [0,0,0,1,0,0|1,0,0]=2 6859 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [0,0,0,1,0,0|1,0,0]=2 6860 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [0,0,0,1,0,0|2,0,0]=3 6861 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210258_200011216234 [0,0,0,1,0,0|2,0,1]=4 6862 B11R1.1 CCCOC1CCC(CC1)C 34a_100000210714_100000210303 [0,0,0,1,0,0|2,0,1]=4 6863 B11R1.1 CCCOC1CCC(CC1)C 7a_100000210714_100000210303 [0,0,0,1,0,0|2,0,1]=4 6864 B11R1.1 CCCOC1CCN(CC1)C 2230a_100020629755_200000210301 [0,0,0,1,0,0|3,0,0]=4 6865 B11R1.1 CCCOC1CCN(CC1)C 269982a_100020629755_200000210301 [0,0,0,1,0,0|3,0,0]=4 6866 B11R1.1 CCCOC1CCN(CC1)C 34a_100020629755_200000210301 [0,0,0,1,0,0|3,0,0]=4 6867 B11R1.1 CCCOC1CCN(CC1)[13CH3] 2230a_100020629755_200025704644 [0,0,0,1,0,0|3,0,0]=4 6868 B11R1.1 CCCOC1CCN(CC1)[13CH3] 269982a_100020629755_200025704644 [0,0,0,1,0,0|3,0,0]=4 6869 B11R1.1 CCCOC1CCN(CC1)[13CH3] 34a_100020629755_200025704644 [0,0,0,1,0,0|3,0,0]=4 6870 B11R1.1 CCCOC1CNC(=O)NC1 34a_100000080929_100000210303 [0,0,0,1,0,0|3,0,0]=4 6871 B11R1.1 CCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210303 [0,0,0,1,0,0|2,0,1]=4 6872 B11R1.1 CCCSC1CCC(CC1)C 62a_100000210303_200011216234 [0,0,0,1,0,0|2,0,1]=4 6873 B11R1.1 CCCSC1CCN(CC1)C 62a_100000210303_100011215917 [0,0,0,1,0,0|3,0,0]=4 6874 B11R1.1 CCNCC1CCC(CC1)C 2230a_103436935547_100000210202 [0,0,0,1,0,0|2,0,1]=4 6875 B11R1.1 CCNCC1CCC(CC1)C 34a_103436935547_100000210202 [0,0,0,1,0,0|2,0,1]=4 6876 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [0,0,0,1,0,0|1,0,0]=2 6877 B11R1.1 CCOCC1CCC(CC1)C 34a_100000701341_100000210202 [0,0,0,1,0,0|2,0,1]=4 6878 B11R1.1 CCOCC1CCN(CC1)C 2230a_100000755292_200000210301 [0,0,0,1,0,0|3,0,0]=4 6879 B11R1.1 CCOCC1CCN(CC1)C 269982a_100000755292_200000210301 [0,0,0,1,0,0|3,0,0]=4 6880 B11R1.1 CCOCC1CCN(CC1)C 34a_100000755292_200000210301 [0,0,0,1,0,0|3,0,0]=4 6881 B11R1.1 CCOCC1CCN(CC1)[13CH3] 2230a_100000755292_200025704644 [0,0,0,1,0,0|3,0,0]=4 6882 B11R1.1 CCOCC1CCN(CC1)[13CH3] 269982a_100000755292_200025704644 [0,0,0,1,0,0|3,0,0]=4 6883 B11R1.1 CCOCC1CCN(CC1)[13CH3] 34a_100000755292_200025704644 [0,0,0,1,0,0|3,0,0]=4 6884 B11R1.1 CCOCN1CCS(=O)CC1 269982a_100000752083_100000739092 [0,0,0,1,0,0|3,0,0]=4 6885 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210202 [0,0,0,1,0,0|2,0,1]=4 6886 B11R1.1 CCSCC1CCN(CC1)C 62a_100000210202_100015183002 [0,0,0,1,0,0|3,0,0]=4 6887 B11R1.1 CCSCC1CCN(CC1)C 62a_100015183002_100000210202 [0,0,0,1,0,0|3,0,0]=4 6888 B11R1.1 CN1CCC(CC1)CCCO 2230a_100016988962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6889 B11R1.1 CN1CCC(CC1)CCCO 269982a_100016988962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6890 B11R1.1 CN1CCC(CC1)CCCO 34a_100016988962_200000210301 [0,0,0,1,0,0|3,0,0]=4 6891 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [0,0,0,1,0,0|1,0,2]=4 6892 B11R1.1 COCCC1CCC(CC1)N 34a_100000070672_200000210301 [0,0,0,1,0,0|2,0,1]=4 6893 B11R1.1 COCCC1CCN(CC1)C 2230a_100011255180_200000210301 [0,0,0,1,0,0|3,0,0]=4 6894 B11R1.1 COCCC1CCN(CC1)C 269982a_100011255180_200000210301 [0,0,0,1,0,0|3,0,0]=4 6895 B11R1.1 COCCC1CCN(CC1)C 34a_100011255180_200000210301 [0,0,0,1,0,0|3,0,0]=4 6896 B11R1.1 COCCC1CCN(CC1)[13CH3] 2230a_100011255180_200025704644 [0,0,0,1,0,0|3,0,0]=4 6897 B11R1.1 COCCC1CCN(CC1)[13CH3] 269982a_100011255180_200025704644 [0,0,0,1,0,0|3,0,0]=4 6898 B11R1.1 COCCC1CCN(CC1)[13CH3] 34a_100011255180_200025704644 [0,0,0,1,0,0|3,0,0]=4 6899 B11R1.1 COCCN1CCS(=O)CC1 2230a_100000752083_100011201679 [0,0,0,1,0,0|3,0,0]=4 6900 B11R1.1 COCCN1CCS(=O)CC1 269982a_100000752083_100000233755 [0,0,0,1,0,0|3,0,0]=4 6901 B11R1.1 COCNC1CCC(=O)NC1 2230a_100000748762_100000766300 [0,0,0,1,0,0|3,0,0]=4 6902 B11R1.1 CSCCN1CCS(=O)CC1 2230a_100000752083_100000751147 [0,0,0,1,0,0|3,0,0]=4 6903 B11R1.1 CSCCN1CCS(=O)CC1 269982a_100000752083_100000212216 [0,0,0,1,0,0|3,0,0]=4 6904 B11R1.1 CSCNC1CCC(=O)NC1 2230a_100000748762_100011218213 [0,0,0,1,0,0|3,0,0]=4 6905 B11R1.1 CSCNC1CCC(=O)NC1 34a_100000748762_100011218213 [0,0,0,1,0,0|3,0,0]=4 6906 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [0,0,0,1,0,0|2,0,0]=3 6907 B11R1.1 CSCOC1CCC(=O)NC1 34a_100000079199_100011218213 [0,0,0,1,0,0|3,0,0]=4 6908 B11R1.1 N#CCOC1CCC(=O)CC1 7a_100000764474_100011215382 [0,0,0,1,0,0|2,0,1]=4 6909 B11R1.1 O=C1CCC(CC1)COCF 34a_100000062911_100015361967 [0,0,0,1,0,0|2,0,0]=3 6910 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [0,0,0,1,0,0|2,0,0]=3 6911 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [0,0,0,1,0,0|2,0,0]=3 6912 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [0,0,0,1,0,0|2,0,0]=3 6913 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [0,0,0,1,0,0|2,0,0]=3 6914 B11R1.1 O=C1CCC(CN1)NCCF 2230a_100000748762_100011217306 [0,0,0,1,0,0|3,0,0]=4 6915 B11R1.1 O=C1CCC(CN1)NCCF 34a_100000748762_100011217306 [0,0,0,1,0,0|3,0,0]=4 6916 B11R1.1 O=C1CCC(CN1)NCCO 2230a_100000748762_100000211926 [0,0,0,1,0,0|3,0,0]=4 6917 B11R1.1 O=C1CCC(CN1)NCCO 34a_100000748762_100000211926 [0,0,0,1,0,0|3,0,0]=4 6918 B11R1.1 O=C1CCC(CN1)OCCF 34a_100000079199_100011217306 [0,0,0,1,0,0|3,0,0]=4 6919 B11R1.1 O=C1CCC(CN1)OCCO 34a_100000079199_100000211926 [0,0,0,1,0,0|3,0,0]=4 6920 B11R1.1 O=CCOC1CCC(=O)CC1 34a_100000764474_200009817547 [0,0,0,1,0,0|2,0,1]=4 6921 B11R1.1 O=CCOC1CCC(=O)CC1 7a_100000764474_200015260668 [0,0,0,1,0,0|2,0,1]=4 6922 B11R1.1 O=S1CCN(CC1)CCCF 2230a_100000752083_100011934791 [0,0,0,1,0,0|3,0,0]=4 6923 B11R1.1 O=S1CCN(CC1)CCCF 269982a_100000752083_100011934791 [0,0,0,1,0,0|3,0,0]=4 6924 B11R1.1 O=S1CCN(CC1)CCCO 2230a_100000752083_100000230001 [0,0,0,1,0,0|3,0,0]=4 6925 B11R1.1 O=S1CCN(CC1)CCCO 269982a_100000752083_100011215043 [0,0,0,1,0,0|3,0,0]=4 6926 B11R1.1 [13CH3]N1CCC(CC1)CCCO 2230a_100016988962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6927 B11R1.1 [13CH3]N1CCC(CC1)CCCO 269982a_100016988962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6928 B11R1.1 [13CH3]N1CCC(CC1)CCCO 34a_100016988962_200025704644 [0,0,0,1,0,0|3,0,0]=4 6929 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [0,0,0,1,0,0|1,0,2]=4 6930 B11R1.1 [13CH3]OCCC1CCC(CC1)N 34a_100000070672_200025704644 [0,0,0,1,0,0|2,0,1]=4 6931 B11R1.13 CC1C(=O)NCCN1CCF 2230a_100000750721_100011217306 [0,0,0,1,0,0|3,0,0]=4 6932 B11R1.13 CC1C(=O)NCCN1CCF 269982a_100000750721_100011217306 [0,0,0,1,0,0|3,0,0]=4 6933 B11R1.13 CC1C(=O)NCCN1CCF 34a_100000750721_100011217306 [0,0,0,1,0,0|3,0,0]=4 6934 B11R1.13 CC1C(=O)NCCN1CCO 2230a_100000750721_100000211926 [0,0,0,1,0,0|3,0,0]=4 6935 B11R1.13 CC1C(=O)NCCN1CCO 269982a_100000750721_100000211926 [0,0,0,1,0,0|3,0,0]=4 6936 B11R1.13 CC1C(=O)NCCN1CCO 34a_100000750721_100000211926 [0,0,0,1,0,0|3,0,0]=4 6937 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,0,0,1,0,0|2,0,0]=3 6938 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,0,0,1,0,0|2,0,0]=3 6939 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,0,0,1,0,0|2,0,0]=3 6940 B11R1.13 CCNC1CCCC(C1C)C 2230a_100000211273_100000210202 [0,0,0,1,0,0|2,0,1]=4 6941 B11R1.13 CCNC1CCCC(C1C)C 34a_100000211273_100000210202 [0,0,0,1,0,0|2,0,1]=4 6942 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,0,0,1,0,0|2,0,1]=4 6943 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,0,0,1,0,0|2,0,1]=4 6944 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [0,0,0,1,0,0|2,0,0]=3 6945 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [0,0,0,1,0,0|2,0,0]=3 6946 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [0,0,0,1,0,0|2,0,0]=3 6947 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [0,0,0,1,0,0|2,0,0]=3 6948 B11R1.13 COCN1CCNC(=O)C1C 2230a_100000750721_100000766300 [0,0,0,1,0,0|3,0,0]=4 6949 B11R1.13 COCN1CCNC(=O)C1C 269982a_100000750721_100000766300 [0,0,0,1,0,0|3,0,0]=4 6950 B11R1.13 CSCN1CCNC(=O)C1C 2230a_100000750721_100011218213 [0,0,0,1,0,0|3,0,0]=4 6951 B11R1.13 CSCN1CCNC(=O)C1C 269982a_100000750721_100011218213 [0,0,0,1,0,0|3,0,0]=4 6952 B11R1.13 CSCN1CCNC(=O)C1C 34a_100000750721_100011218213 [0,0,0,1,0,0|3,0,0]=4 6953 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [0,0,0,1,0,0|0,0,2]=3 6954 B11R1.25 C#CC(=O)CCN1CCCC1 1458a_100000211873_100000004467 [0,0,0,1,0,0|1,0,2]=4 6955 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [0,0,0,1,0,0|0,0,2]=3 6956 B11R1.25 C=CC(=O)CCN1CCCC1 1458a_100000185746_100000004467 [0,0,0,1,0,0|1,0,2]=4 6957 B11R1.25 C=CC(=O)NCC1CCCC1 1626a_100000737975_100000185746 [0,0,0,1,0,0|1,0,2]=4 6958 B11R1.25 C=CC(=O)NCC1CCCC1 240690a_100000737975_200121576911 [0,0,0,1,0,0|1,0,2]=4 6959 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [0,0,0,1,0,0|0,0,0]=1 6960 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [0,0,0,1,0,0|0,0,0]=1 6961 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [0,0,0,1,0,0|1,0,0]=2 6962 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [0,0,0,1,0,0|2,0,0]=3 6963 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [0,0,0,1,0,0|2,0,0]=3 6964 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [0,0,0,1,0,0|1,0,0]=2 6965 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [0,0,0,1,0,0|1,0,0]=2 6966 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [0,0,0,1,0,0|2,0,0]=3 6967 B11R1.25 CCC(=O)CNC1=NCCC1 1458a_100000118783_100000210202 [0,0,0,1,0,0|2,0,1]=4 6968 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [0,0,0,1,0,0|1,0,0]=2 6969 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [0,0,0,1,0,0|1,0,0]=2 6970 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [0,0,0,1,0,0|1,0,0]=2 6971 B11R1.25 CCC(=O)COC1CCOC1 34a_100000725409_100000690089 [0,0,0,1,0,0|2,0,0]=3 6972 B11R1.25 CCC(=O)COC1CCSC1 7a_100011232664_100000747405 [0,0,0,1,0,0|2,0,0]=3 6973 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [0,0,0,1,0,0|1,0,0]=2 6974 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [0,0,0,1,0,0|1,0,0]=2 6975 B11R1.25 CCC(=O)CSC1CCOC1 62a_100000747405_100000690089 [0,0,0,1,0,0|2,0,0]=3 6976 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [0,0,0,1,0,0|1,0,0]=2 6977 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [0,0,0,1,0,0|1,0,0]=2 6978 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [0,0,0,1,0,0|1,0,0]=2 6979 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [0,0,0,1,0,0|1,0,0]=2 6980 B11R1.25 CCC(=O)NCC1CCOC1 11a_100000737293_100000210414 [0,0,0,1,0,0|2,0,0]=3 6981 B11R1.25 CCC(=O)NCC1CCOC1 1626a_100000737293_100000210414 [0,0,0,1,0,0|2,0,0]=3 6982 B11R1.25 CCC(=O)NCC1CCOC1 240690a_100000737293_100000210414 [0,0,0,1,0,0|2,0,0]=3 6983 B11R1.25 CCC(=O)NCC1CCOC1 527a_100000737293_100000210414 [0,0,0,1,0,0|2,0,0]=3 6984 B11R1.25 CCC(=O)NCC1OCCO1 11a_100000036311_100000210414 [0,0,0,1,0,0|3,0,0]=4 6985 B11R1.25 CCC(=O)NCC1OCCO1 1626a_100000036311_100000210414 [0,0,0,1,0,0|3,0,0]=4 6986 B11R1.25 CCC(=O)NCC1OCCO1 527a_100000036311_100000210414 [0,0,0,1,0,0|3,0,0]=4 6987 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [0,0,0,1,0,0|2,0,0]=3 6988 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [0,0,0,1,0,0|2,0,0]=3 6989 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [0,0,0,1,0,0|2,0,0]=3 6990 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [0,0,0,1,0,0|2,0,0]=3 6991 B11R1.25 CCC(=O)NN=C1CCCC1 4a_100000183195_100000210133 [0,0,0,1,0,0|2,0,1]=4 6992 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [0,0,0,1,0,0|2,0,0]=3 6993 B11R1.25 CCC(=O)NNC1CCOC1 22a_100000690549_100000210414 [0,0,0,1,0,0|3,0,0]=4 6994 B11R1.25 CCC(=O)NNC1CCSC1 22a_200000731317_100000210414 [0,0,0,1,0,0|3,0,0]=4 6995 B11R1.25 CCC(C)CNC1CCCC1 2230a_100000211070_100000748023 [0,0,0,1,0,0|2,0,1]=4 6996 B11R1.25 CCC(C)CNC1CCCC1 2230a_100020588543_100000179811 [0,0,0,1,0,0|2,0,1]=4 6997 B11R1.25 CCC(C)CNC1CCCC1 270004a_100000211070_100000243153 [0,0,0,1,0,0|2,0,1]=4 6998 B11R1.25 CCC(C)CNC1CCCC1 270004a_100020588543_100000210133 [0,0,0,1,0,0|2,0,1]=4 6999 B11R1.25 CCC(C)CNC1CCCC1 34a_100000211070_100000748023 [0,0,0,1,0,0|2,0,1]=4 7000 B11R1.25 CCC(C)COC1CCCC1 34a_100000210269_100000748023 [0,0,0,1,0,0|2,0,1]=4 7001 B11R1.25 CCC(C)COC1CCCC1 7a_100000210269_100000748023 [0,0,0,1,0,0|2,0,1]=4 7002 B11R1.25 CCC(C)CSC1CCCC1 62a_100000748023_100000179811 [0,0,0,1,0,0|2,0,1]=4 7003 B11R1.25 CCC(C)CSC1CCCC1 62a_100011217020_100000748023 [0,0,0,1,0,0|2,0,1]=4 7004 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000209981_100000740388 [0,0,0,1,0,0|2,0,1]=4 7005 B11R1.25 CCC(C)NCC1CCCC1 2230a_100000737975_100000758301 [0,0,0,1,0,0|2,0,1]=4 7006 B11R1.25 CCC(C)NCC1CCCC1 269862a_100000209981_100000746403 [0,0,0,1,0,0|2,0,1]=4 7007 B11R1.25 CCC(C)NCC1CCCC1 34a_100000737975_100011215416 [0,0,0,1,0,0|2,0,1]=4 7008 B11R1.25 CCC(C)OCC1CCCC1 34a_100000742336_100011215416 [0,0,0,1,0,0|2,0,1]=4 7009 B11R1.25 CCC(C)OCC1CCCC1 7a_100000210228_100000740388 [0,0,0,1,0,0|2,0,1]=4 7010 B11R1.25 CCC(C)OCC1CCCC1 7a_100000742336_100000758301 [0,0,0,1,0,0|2,0,1]=4 7011 B11R1.25 CCC(C)SCC1CCCC1 62a_100000740388_100000758301 [0,0,0,1,0,0|2,0,1]=4 7012 B11R1.25 CCC(C)SCC1CCCC1 62a_100000758301_100000740388 [0,0,0,1,0,0|2,0,1]=4 7013 B11R1.25 CCC(O)CNC1CCCC1 2230a_100000211070_100011218378 [0,0,0,1,0,0|1,0,2]=4 7014 B11R1.25 CCC(O)CNC1CCCC1 2230a_100011218483_100000179811 [0,0,0,1,0,0|1,0,2]=4 7015 B11R1.25 CCC(O)CNC1CCCC1 270004a_100011218483_100000210133 [0,0,0,1,0,0|1,0,2]=4 7016 B11R1.25 CCC(O)CNC1CCCC1 34a_100000211070_100011218378 [0,0,0,1,0,0|1,0,2]=4 7017 B11R1.25 CCC(O)COC1CCCC1 34a_100000210269_100011218378 [0,0,0,1,0,0|1,0,2]=4 7018 B11R1.25 CCC(O)COC1CCCC1 7a_100000210269_100011218378 [0,0,0,1,0,0|1,0,2]=4 7019 B11R1.25 CCC(O)CSC1CCCC1 62a_100011217020_100011218378 [0,0,0,1,0,0|1,0,2]=4 7020 B11R1.25 CCC(O)CSC1CCCC1 62a_100011218378_100000179811 [0,0,0,1,0,0|1,0,2]=4 7021 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [0,0,0,1,0,0|2,0,0]=3 7022 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [0,0,0,1,0,0|2,0,0]=3 7023 B11R1.25 CCN(C)CCN1CCCC1 2230a_100000225677_100000210202 [0,0,0,1,0,0|3,0,0]=4 7024 B11R1.25 CCN(C)CCN1CCCC1 2230a_100000226055_200000210301 [0,0,0,1,0,0|3,0,0]=4 7025 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000225621_100000004467 [0,0,0,1,0,0|3,0,0]=4 7026 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000225677_100000204670 [0,0,0,1,0,0|3,0,0]=4 7027 B11R1.25 CCN(C)CCN1CCCC1 269982a_100000226055_200000210301 [0,0,0,1,0,0|3,0,0]=4 7028 B11R1.25 CCN([13CH3])CCN1CCCC1 2230a_100000226055_200025704644 [0,0,0,1,0,0|3,0,0]=4 7029 B11R1.25 CCN([13CH3])CCN1CCCC1 269982a_100000226055_200025704644 [0,0,0,1,0,0|3,0,0]=4 7030 B11R1.25 CC[C@H](C)CNC1CCCC1 2230a_100000211070_100009816398 [0,0,0,1,0,0|2,0,1]=4 7031 B11R1.25 CC[C@H](C)CNC1CCCC1 34a_100000211070_100009816398 [0,0,0,1,0,0|2,0,1]=4 7032 B11R1.25 CC[C@H](C)COC1CCCC1 34a_100000210269_100009816398 [0,0,0,1,0,0|2,0,1]=4 7033 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100000210269_100009816398 [0,0,0,1,0,0|2,0,1]=4 7034 B11R1.25 CC[C@H](C)COC1CCCC1 7a_100009816381_100000179811 [0,0,0,1,0,0|2,0,1]=4 7035 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100009816398_100000179811 [0,0,0,1,0,0|2,0,1]=4 7036 B11R1.25 CC[C@H](C)CSC1CCCC1 62a_100011217020_100009816398 [0,0,0,1,0,0|2,0,1]=4 7037 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [0,0,0,1,0,0|1,0,0]=2 7038 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 7039 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 7040 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [0,0,0,1,0,0|1,0,0]=2 7041 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [0,0,0,1,0,0|2,0,0]=3 7042 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 7043 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 7044 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [0,0,0,1,0,0|2,0,0]=3 7045 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [0,0,0,1,0,0|2,0,0]=3 7046 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [0,0,0,1,0,0|2,0,0]=3 7047 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [0,0,0,1,0,0|2,0,0]=3 7048 B11R1.25 CNC(=O)CCN1CCCO1 240690a_100102657272_200015187630 [0,0,0,1,0,0|3,0,0]=4 7049 B11R1.25 CNC(=O)CCN1CCSC1 2230a_100011215254_100000737683 [0,0,0,1,0,0|3,0,0]=4 7050 B11R1.25 CNC(=O)CCN1CCSC1 269982a_100011215254_100000737683 [0,0,0,1,0,0|3,0,0]=4 7051 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [0,0,0,1,0,0|2,0,0]=3 7052 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [0,0,0,1,0,0|2,0,0]=3 7053 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [0,0,0,1,0,0|2,0,0]=3 7054 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [0,0,0,1,0,0|2,0,0]=3 7055 B11R1.25 CNC(=O)CNC1CCOC1 2230a_100000693194_100000731011 [0,0,0,1,0,0|3,0,0]=4 7056 B11R1.25 CNC(=O)CNC1CCOC1 270004a_100000693194_100000752484 [0,0,0,1,0,0|3,0,0]=4 7057 B11R1.25 CNC(=O)CNC1CCSC1 270004a_100000693194_100000212027 [0,0,0,1,0,0|3,0,0]=4 7058 B11R1.25 CNC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000183359 [0,0,0,1,0,0|3,0,0]=4 7059 B11R1.25 CNC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000183359 [0,0,0,1,0,0|3,0,0]=4 7060 B11R1.25 CNC(=O)CN[C@H]1CCOC1 34a_100015188467_100000183359 [0,0,0,1,0,0|3,0,0]=4 7061 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [0,0,0,1,0,0|2,0,0]=3 7062 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 7063 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 7064 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [0,0,0,1,0,0|2,0,0]=3 7065 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [0,0,0,1,0,0|2,0,0]=3 7066 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [0,0,0,1,0,0|2,0,0]=3 7067 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [0,0,0,1,0,0|2,0,0]=3 7068 B11R1.25 CNC(=O)COC1CCCO1 34a_100000085407_100000183359 [0,0,0,1,0,0|3,0,0]=4 7069 B11R1.25 CNC(=O)COC1CCOC1 34a_100000750040_100000690089 [0,0,0,1,0,0|3,0,0]=4 7070 B11R1.25 CNC(=O)COC1CCSC1 7a_100011232664_100000183359 [0,0,0,1,0,0|3,0,0]=4 7071 B11R1.25 CNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000183359 [0,0,0,1,0,0|3,0,0]=4 7072 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [0,0,0,1,0,0|2,0,0]=3 7073 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [0,0,0,1,0,0|2,0,0]=3 7074 B11R1.25 CNC(=O)CSC1CCOC1 62a_100000183359_100000690089 [0,0,0,1,0,0|3,0,0]=4 7075 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [0,0,0,1,0,0|2,0,0]=3 7076 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [0,0,0,1,0,0|2,0,0]=3 7077 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [0,0,0,1,0,0|2,0,0]=3 7078 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [0,0,0,1,0,0|2,0,0]=3 7079 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [0,0,0,1,0,0|2,0,0]=3 7080 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [0,0,0,1,0,0|2,0,0]=3 7081 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100000737293_106832991635 [0,0,0,1,0,0|3,0,0]=4 7082 B11R1.25 CNC(=O)NCC1CCOC1 2708a_100102657272_100000737293 [0,0,0,1,0,0|3,0,0]=4 7083 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100000737293_100102657272 [0,0,0,1,0,0|3,0,0]=4 7084 B11R1.25 CNC(=O)NCC1CCOC1 273464a_100102657272_100000737293 [0,0,0,1,0,0|3,0,0]=4 7085 B11R1.25 CNC(=O)NCC1CCOC1 512a_100000737293_100102657272 [0,0,0,1,0,0|3,0,0]=4 7086 B11R1.25 CNC(=O)NCC1CCOC1 512a_106832991638_100000737293 [0,0,0,1,0,0|3,0,0]=4 7087 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_106832991635 [0,0,0,1,0,0|3,0,0]=4 7088 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 2708a_100102657272_100020590478 [0,0,0,1,0,0|3,0,0]=4 7089 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100102657272 [0,0,0,1,0,0|3,0,0]=4 7090 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 273464a_100102657272_100020590478 [0,0,0,1,0,0|3,0,0]=4 7091 B11R1.25 CNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100102657272 [0,0,0,1,0,0|3,0,0]=4 7092 B11R1.25 CNC(=O)NNC1CCCC1 273464a_100102657272_100000737850 [0,0,0,1,0,0|3,0,0]=4 7093 B11R1.25 CNC(=O)NNC1CCCC1 512a_106832991638_100000737850 [0,0,0,1,0,0|3,0,0]=4 7094 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [0,0,0,1,0,0|2,0,0]=3 7095 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [0,0,0,1,0,0|2,0,0]=3 7096 B11R1.25 COC(=O)CCN1CCSC1 2230a_100011215254_100000204255 [0,0,0,1,0,0|3,0,0]=4 7097 B11R1.25 COC(=O)CCN1CCSC1 269982a_100011215254_100000204255 [0,0,0,1,0,0|3,0,0]=4 7098 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [0,0,0,1,0,0|2,0,0]=3 7099 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [0,0,0,1,0,0|2,0,0]=3 7100 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [0,0,0,1,0,0|3,0,0]=4 7101 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [0,0,0,1,0,0|3,0,0]=4 7102 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [0,0,0,1,0,0|3,0,0]=4 7103 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [0,0,0,1,0,0|2,0,0]=3 7104 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [0,0,0,1,0,0|2,0,0]=3 7105 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [0,0,0,1,0,0|3,0,0]=4 7106 B11R1.25 COC(=O)COC1CCSC1 7a_100011232664_100000747449 [0,0,0,1,0,0|3,0,0]=4 7107 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [0,0,0,1,0,0|3,0,0]=4 7108 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [0,0,0,1,0,0|2,0,0]=3 7109 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [0,0,0,1,0,0|2,0,0]=3 7110 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [0,0,0,1,0,0|3,0,0]=4 7111 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [0,0,0,1,0,0|1,0,0]=2 7112 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [0,0,0,1,0,0|2,0,0]=3 7113 B11R1.25 O=C(CF)CCC1OCCO1 1458a_100000082924_100015361967 [0,0,0,1,0,0|3,0,0]=4 7114 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [0,0,0,1,0,0|2,0,0]=3 7115 B11R1.25 O=C(CF)CCN1CCCO1 1458a_200015187630_100015361967 [0,0,0,1,0,0|3,0,0]=4 7116 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [0,0,0,1,0,0|2,0,0]=3 7117 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [0,0,0,1,0,0|1,0,0]=2 7118 B11R1.25 O=C(CO)CCC1OCCO1 1458a_100000210174_100000740749 [0,0,0,1,0,0|3,0,0]=4 7119 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [0,0,0,1,0,0|2,0,0]=3 7120 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [0,0,0,1,0,0|2,0,0]=3 7121 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [0,0,0,1,0,0|2,0,0]=3 7122 B11R1.25 O=C(CO)NCC1CCOC1 240690a_100000737293_100000210174 [0,0,0,1,0,0|3,0,0]=4 7123 B11R1.25 O=C(CO)NCC1CCOC1 527a_100000737293_100000210174 [0,0,0,1,0,0|3,0,0]=4 7124 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 240690a_100020590478_100000210174 [0,0,0,1,0,0|3,0,0]=4 7125 B11R1.25 O=C(CO)NC[C@@H]1CCCO1 527a_100020590478_100000210174 [0,0,0,1,0,0|3,0,0]=4 7126 B11R1.25 O=C(CO)NNC1CCCC1 22a_100000737850_100000210174 [0,0,0,1,0,0|3,0,0]=4 7127 B11R1.27 C#CCCOC1CCC(=O)C1 34a_100012614533_100000688953 [0,0,0,1,0,0|1,0,2]=4 7128 B11R1.27 C/C=C/COC1CCC(=O)C1 34a_100012614533_100102629194 [0,0,0,1,0,0|1,0,2]=4 7129 B11R1.27 C=CCCOC1CCC(=O)C1 34a_100012614533_100000754431 [0,0,0,1,0,0|1,0,2]=4 7130 B11R1.27 CC#CCOC1CCC(=O)C1 34a_100012614533_100000748600 [0,0,0,1,0,0|1,0,2]=4 7131 B11R1.27 CC=CCOC1CCC(=O)C1 34a_100012614533_100000070051 [0,0,0,1,0,0|1,0,2]=4 7132 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,0,0,1,0,0|1,0,2]=4 7133 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,0,0,1,0,0|1,0,2]=4 7134 B11R1.27 CCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210326 [0,0,0,1,0,0|2,0,1]=4 7135 B11R1.27 CCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210215 [0,0,0,1,0,0|2,0,1]=4 7136 B11R1.27 CCCCCN1CC[C@@H](C1)F 34a_100015203821_100000718602 [0,0,0,1,0,0|2,0,1]=4 7137 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,0,0,1,0,0|2,0,1]=4 7138 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,0,0,1,0,0|2,0,1]=4 7139 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,0,0,1,0,0|2,0,1]=4 7140 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,1,0,0|2,0,0]=3 7141 B11R1.27 CCCCNC1CCC(C1)C 270004a_100000102301_100011215218 [0,0,0,1,0,0|2,0,1]=4 7142 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,0,0,1,0,0|1,0,2]=4 7143 B11R1.27 CCCCNC1CCN(C1)C 7a_106832991798_200012183744 [0,0,0,1,0,0|3,0,0]=4 7144 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,0,0,1,0,0|2,0,0]=3 7145 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,0,0,1,0,0|1,0,2]=4 7146 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,1,0,0|1,0,0]=2 7147 B11R1.27 CCCCOC1CCC(C1)C 34a_100000698185_100000210210 [0,0,0,1,0,0|2,0,1]=4 7148 B11R1.27 CCCCOC1CCN(C1)C 7a_100000210227_200012183744 [0,0,0,1,0,0|3,0,0]=4 7149 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,0,0,1,0,0|2,0,0]=3 7150 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,0,1,0,0|3,0,0]=4 7151 B11R1.27 CCCCSC1CCN(C1)C 62a_100000210211_200012183744 [0,0,0,1,0,0|3,0,0]=4 7152 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,0,1,0,0|3,0,0]=4 7153 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,0,0,1,0,0|2,0,0]=3 7154 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,0,0,1,0,0|2,0,0]=3 7155 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,0,0,1,0,0|2,0,0]=3 7156 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,0,0,1,0,0|2,0,0]=3 7157 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,0,0,1,0,0|2,0,0]=3 7158 B11R1.27 CCCOCC1CCN(C1)C 2230a_200011652792_200000210301 [0,0,0,1,0,0|3,0,0]=4 7159 B11R1.27 CCCOCC1CCN(C1)C 269982a_200011652792_200000210301 [0,0,0,1,0,0|3,0,0]=4 7160 B11R1.27 CCCOCC1CCN(C1)C 34a_100000210258_200000690779 [0,0,0,1,0,0|3,0,0]=4 7161 B11R1.27 CCCOCC1CCN(C1)C 34a_200011652792_200000210301 [0,0,0,1,0,0|3,0,0]=4 7162 B11R1.27 CCCOCC1CCN(C1)[13CH3] 2230a_200011652792_200025704644 [0,0,0,1,0,0|3,0,0]=4 7163 B11R1.27 CCCOCC1CCN(C1)[13CH3] 269982a_200011652792_200025704644 [0,0,0,1,0,0|3,0,0]=4 7164 B11R1.27 CCCOCC1CCN(C1)[13CH3] 34a_200011652792_200025704644 [0,0,0,1,0,0|3,0,0]=4 7165 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,0,0,1,0,0|2,0,0]=3 7166 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,1,0,0|3,0,0]=4 7167 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,1,0,0|3,0,0]=4 7168 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,0|3,0,0]=4 7169 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,0,0,1,0,0|3,0,0]=4 7170 B11R1.27 CCCSCC1CCN(C1)C 62a_100000210303_200000690779 [0,0,0,1,0,0|3,0,0]=4 7171 B11R1.27 CCCSCC1CCN(C1)C 62a_200000690779_100000210303 [0,0,0,1,0,0|3,0,0]=4 7172 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,0|3,0,0]=4 7173 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,0|3,0,0]=4 7174 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,0|3,0,0]=4 7175 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,0|3,0,0]=4 7176 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,0,1,0,0|2,0,0]=3 7177 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,0,1,0,0|2,0,0]=3 7178 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,0,0,1,0,0|3,0,0]=4 7179 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,0,0,1,0,0|3,0,0]=4 7180 B11R1.27 CCOCCN1CNC(=O)C1 2230a_200000708111_100011215890 [0,0,0,1,0,0|3,0,0]=4 7181 B11R1.27 CCSCCN1CNC(=O)C1 2230a_200000708111_100000757381 [0,0,0,1,0,0|3,0,0]=4 7182 B11R1.27 COCCCN1CNC(=O)C1 2230a_200000708111_100000740836 [0,0,0,1,0,0|3,0,0]=4 7183 B11R1.27 COCCNC1CNC(=O)C1 2230a_100000697751_100011201679 [0,0,0,1,0,0|3,0,0]=4 7184 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,0,0,1,0,0|2,0,0]=3 7185 B11R1.27 COCCOC1CNC(=O)C1 34a_100000690082_100011201679 [0,0,0,1,0,0|3,0,0]=4 7186 B11R1.27 COCNCC1CNC(=O)C1 2230a_100016993742_100000766300 [0,0,0,1,0,0|3,0,0]=4 7187 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [0,0,0,1,0,0|3,0,0]=4 7188 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [0,0,0,1,0,0|3,0,0]=4 7189 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [0,0,0,1,0,0|3,0,0]=4 7190 B11R1.27 CSCCNC1CNC(=O)C1 2230a_100000697751_100000751147 [0,0,0,1,0,0|3,0,0]=4 7191 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,0,0,1,0,0|2,0,0]=3 7192 B11R1.27 CSCCOC1CNC(=O)C1 34a_100000690082_100000212216 [0,0,0,1,0,0|3,0,0]=4 7193 B11R1.27 CSCNCC1CNC(=O)C1 2230a_100016993742_100011218213 [0,0,0,1,0,0|3,0,0]=4 7194 B11R1.27 CSCNCC1CNC(=O)C1 34a_100016993742_100011218213 [0,0,0,1,0,0|3,0,0]=4 7195 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [0,0,0,1,0,0|3,0,0]=4 7196 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [0,0,0,1,0,0|3,0,0]=4 7197 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [0,0,0,1,0,0|3,0,0]=4 7198 B11R1.27 CSCOCC1CNC(=O)C1 34a_100016041077_100011218213 [0,0,0,1,0,0|3,0,0]=4 7199 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [0,0,0,1,0,0|3,0,0]=4 7200 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [0,0,0,1,0,0|3,0,0]=4 7201 B11R1.27 O=C1CC(CN1)CNCCF 2230a_100016993742_100011217306 [0,0,0,1,0,0|3,0,0]=4 7202 B11R1.27 O=C1CC(CN1)CNCCF 34a_100016993742_100011217306 [0,0,0,1,0,0|3,0,0]=4 7203 B11R1.27 O=C1CC(CN1)CNCCO 2230a_100016993742_100000211926 [0,0,0,1,0,0|3,0,0]=4 7204 B11R1.27 O=C1CC(CN1)CNCCO 34a_100016993742_100000211926 [0,0,0,1,0,0|3,0,0]=4 7205 B11R1.27 O=C1CC(CN1)COCCF 34a_100016041077_100011217306 [0,0,0,1,0,0|3,0,0]=4 7206 B11R1.27 O=C1CC(CN1)COCCO 34a_100016041077_100000211926 [0,0,0,1,0,0|3,0,0]=4 7207 B11R1.27 O=C1CC(CN1)NCCCF 2230a_100000697751_100011934791 [0,0,0,1,0,0|3,0,0]=4 7208 B11R1.27 O=C1CC(CN1)NCCCO 2230a_100000697751_100000230001 [0,0,0,1,0,0|3,0,0]=4 7209 B11R1.27 O=C1CC(CN1)OCCCF 34a_100000690082_100011934791 [0,0,0,1,0,0|3,0,0]=4 7210 B11R1.27 O=C1CC(CN1)OCCCO 34a_100000690082_100000230001 [0,0,0,1,0,0|3,0,0]=4 7211 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,0,0,1,0,0|2,0,0]=3 7212 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,0,0,1,0,0|2,0,0]=3 7213 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [0,0,0,1,0,0|3,0,0]=4 7214 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,0,0,1,0,0|3,0,0]=4 7215 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [0,0,0,1,0,0|3,0,0]=4 7216 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [0,0,0,1,0,0|3,0,0]=4 7217 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,0,0,1,0,0|3,0,0]=4 7218 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,0,0,1,0,0|3,0,0]=4 7219 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,0,0,1,0,0|3,0,0]=4 7220 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,0,0,1,0,0|3,0,0]=4 7221 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,0,0,1,0,0|3,0,0]=4 7222 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,0,0,1,0,0|3,0,0]=4 7223 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,0,0,1,0,0|3,0,0]=4 7224 B11R1.27 O=C1CN(CN1)CCCCF 2230a_200000708111_100000729493 [0,0,0,1,0,0|3,0,0]=4 7225 B11R1.27 O=C1CN(CN1)CCCCO 2230a_200000708111_100000210776 [0,0,0,1,0,0|3,0,0]=4 7226 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,0,0,1,0,0|0,0,2]=3 7227 B11R1.40 C#CC(=O)CC1CCCCO1 1458a_100000211873_100000211543 [0,0,0,1,0,0|1,0,2]=4 7228 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,0,0,1,0,0|1,0,2]=4 7229 B11R1.40 C#CC(=O)CC1CCOCC1 1458a_100000211873_100000754603 [0,0,0,1,0,0|1,0,2]=4 7230 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,0,0,1,0,0|0,0,2]=3 7231 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,0,0,1,0,0|1,0,2]=4 7232 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,0,0,1,0,0|1,0,2]=4 7233 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,0,0,1,0,0|1,0,2]=4 7234 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,0,0,1,0,0|1,0,2]=4 7235 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,0,0,1,0,0|1,0,2]=4 7236 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,0,0,1,0,0|0,0,2]=3 7237 B11R1.40 CCC(=O)C=C1CCOCC1 1458a_100000761426_100000210202 [0,0,0,1,0,0|1,0,2]=4 7238 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [0,0,0,1,0,0|0,0,2]=3 7239 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,0,0,1,0,0|0,0,0]=1 7240 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,0,0,1,0,0|0,0,0]=1 7241 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,0,0,1,0,0|1,0,0]=2 7242 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,0,0,1,0,0|1,0,0]=2 7243 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,0,0,1,0,0|1,0,0]=2 7244 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,0,0,1,0,0|1,0,0]=2 7245 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,0,0,1,0,0|1,0,0]=2 7246 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,0,0,1,0,0|1,0,0]=2 7247 B11R1.40 CCC(=O)CN1CC=CCC1 269982a_100000698166_100000747405 [0,0,0,1,0,0|1,0,2]=4 7248 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,0,0,1,0,0|1,0,0]=2 7249 B11R1.40 CCC(=O)CN1CCCOC1 269982a_100000131196_100000747405 [0,0,0,1,0,0|2,0,0]=3 7250 B11R1.40 CCC(=O)CN1CCOCC1 1458a_100000740321_100000210202 [0,0,0,1,0,0|2,0,0]=3 7251 B11R1.40 CCC(=O)CN1CCOCC1 269982a_100015191051_100000747405 [0,0,0,1,0,0|2,0,0]=3 7252 B11R1.40 CCC(=O)CN1CCSCC1 269982a_100000737611_100000747405 [0,0,0,1,0,0|2,0,0]=3 7253 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,0,0,1,0,0|1,0,0]=2 7254 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,0,0,1,0,0|1,0,0]=2 7255 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,0,0,1,0,0|1,0,0]=2 7256 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,0,0,1,0,0|1,0,0]=2 7257 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,0,0,1,0,0|2,0,0]=3 7258 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,0,0,1,0,0|2,0,0]=3 7259 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,0,0,1,0,0|2,0,0]=3 7260 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,0,0,1,0,0|2,0,0]=3 7261 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [0,0,0,1,0,0|2,0,0]=3 7262 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [0,0,0,1,0,0|2,0,0]=3 7263 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [0,0,0,1,0,0|2,0,0]=3 7264 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [0,0,0,1,0,0|2,0,0]=3 7265 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [0,0,0,1,0,0|2,0,0]=3 7266 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [0,0,0,1,0,0|2,0,0]=3 7267 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [0,0,0,1,0,0|2,0,0]=3 7268 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [0,0,0,1,0,0|2,0,0]=3 7269 B11R1.40 CCC(C)NC1CCCCC1 2230a_100000182618_100000758301 [0,0,0,1,0,0|2,0,1]=4 7270 B11R1.40 CCC(C)NC1CCCCC1 270004a_100000209981_100000210434 [0,0,0,1,0,0|2,0,1]=4 7271 B11R1.40 CCC(C)NC1CCCCC1 34a_100000182618_100011215416 [0,0,0,1,0,0|2,0,1]=4 7272 B11R1.40 CCC(C)OC1CCCCC1 34a_100000210231_100011215416 [0,0,0,1,0,0|2,0,1]=4 7273 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210228_100000210327 [0,0,0,1,0,0|2,0,1]=4 7274 B11R1.40 CCC(C)OC1CCCCC1 7a_100000210231_100000758301 [0,0,0,1,0,0|2,0,1]=4 7275 B11R1.40 CCC(C)SC1CCCCC1 62a_100000210327_100000758301 [0,0,0,1,0,0|2,0,1]=4 7276 B11R1.40 CCC(C)SC1CCCCC1 62a_100000758301_100000210327 [0,0,0,1,0,0|2,0,1]=4 7277 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [0,0,0,1,0,0|2,0,0]=3 7278 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [0,0,0,1,0,0|2,0,0]=3 7279 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [0,0,0,1,0,0|2,0,0]=3 7280 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [0,0,0,1,0,0|2,0,0]=3 7281 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [0,0,0,1,0,0|2,0,0]=3 7282 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225621_100000211543 [0,0,0,1,0,0|3,0,0]=4 7283 B11R1.40 CCN(C)CC1CCCCO1 2230a_100000225654_100000210202 [0,0,0,1,0,0|3,0,0]=4 7284 B11R1.40 CCN(C)CC1CCCCO1 2230a_100015185122_200000210301 [0,0,0,1,0,0|3,0,0]=4 7285 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225621_100000211543 [0,0,0,1,0,0|3,0,0]=4 7286 B11R1.40 CCN(C)CC1CCCCO1 269982a_100000225654_100000204670 [0,0,0,1,0,0|3,0,0]=4 7287 B11R1.40 CCN(C)CC1CCCCO1 269982a_100015185122_200000210301 [0,0,0,1,0,0|3,0,0]=4 7288 B11R1.40 CCN(C)CC1CCCCO1 34a_100000225654_100000210202 [0,0,0,1,0,0|3,0,0]=4 7289 B11R1.40 CCN(C)CC1CCCCO1 34a_100015185122_200000210301 [0,0,0,1,0,0|3,0,0]=4 7290 B11R1.40 CCN(C)CC1CCCOC1 2230a_100000225621_100000741521 [0,0,0,1,0,0|3,0,0]=4 7291 B11R1.40 CCN(C)CC1CCCOC1 269982a_100000225621_100000741521 [0,0,0,1,0,0|3,0,0]=4 7292 B11R1.40 CCN(C)CC1CCOCC1 2230a_100000225621_100000754603 [0,0,0,1,0,0|3,0,0]=4 7293 B11R1.40 CCN(C)CC1CCOCC1 2230a_100011439692_200000210301 [0,0,0,1,0,0|3,0,0]=4 7294 B11R1.40 CCN(C)CC1CCOCC1 2230a_100025706683_100000210202 [0,0,0,1,0,0|3,0,0]=4 7295 B11R1.40 CCN(C)CC1CCOCC1 269982a_100000225621_100000754603 [0,0,0,1,0,0|3,0,0]=4 7296 B11R1.40 CCN(C)CC1CCOCC1 269982a_100011439692_200000210301 [0,0,0,1,0,0|3,0,0]=4 7297 B11R1.40 CCN(C)CC1CCOCC1 269982a_100025706683_100000204670 [0,0,0,1,0,0|3,0,0]=4 7298 B11R1.40 CCN(C)CC1CCOCC1 34a_100011439692_200000210301 [0,0,0,1,0,0|3,0,0]=4 7299 B11R1.40 CCN(C)CC1CCOCC1 34a_100025706683_100000210202 [0,0,0,1,0,0|3,0,0]=4 7300 B11R1.40 CCN(C)CC1CCSCC1 2230a_100011935259_100000210202 [0,0,0,1,0,0|3,0,0]=4 7301 B11R1.40 CCN(C)CC1CCSCC1 269982a_100011935259_100000204670 [0,0,0,1,0,0|3,0,0]=4 7302 B11R1.40 CCN(C)CC1CCSCC1 34a_100011935259_100000210202 [0,0,0,1,0,0|3,0,0]=4 7303 B11R1.40 CCN([13CH3])CC1CCCCO1 2230a_100015185122_200025704644 [0,0,0,1,0,0|3,0,0]=4 7304 B11R1.40 CCN([13CH3])CC1CCCCO1 269982a_100015185122_200025704644 [0,0,0,1,0,0|3,0,0]=4 7305 B11R1.40 CCN([13CH3])CC1CCCCO1 34a_100015185122_200025704644 [0,0,0,1,0,0|3,0,0]=4 7306 B11R1.40 CCN([13CH3])CC1CCOCC1 2230a_100011439692_200025704644 [0,0,0,1,0,0|3,0,0]=4 7307 B11R1.40 CCN([13CH3])CC1CCOCC1 269982a_100011439692_200025704644 [0,0,0,1,0,0|3,0,0]=4 7308 B11R1.40 CCN([13CH3])CC1CCOCC1 34a_100011439692_200025704644 [0,0,0,1,0,0|3,0,0]=4 7309 B11R1.40 CN(CF)CC1CCCCC1 269982a_100000736448_100015361967 [0,0,0,1,0,0|3,0,0]=4 7310 B11R1.40 CN(CF)CC1CCCCC1 34a_100000736448_100015361967 [0,0,0,1,0,0|3,0,0]=4 7311 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,0,0,1,0,0|1,0,2]=4 7312 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,0,0,1,0,0|1,0,2]=4 7313 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,0,0,1,0,0|1,0,2]=4 7314 B11R1.40 CNC(=O)CC1=CCCCC1 11a_106832991635_100000039269 [0,0,0,1,0,0|1,0,2]=4 7315 B11R1.40 CNC(=O)CC1=CCCCC1 1626a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 7316 B11R1.40 CNC(=O)CC1=CCCCC1 240690a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 7317 B11R1.40 CNC(=O)CC1=CCCCC1 527a_100102657272_100000039269 [0,0,0,1,0,0|1,0,2]=4 7318 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,0,0,1,0,0|1,0,0]=2 7319 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 7320 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 7321 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,0,0,1,0,0|1,0,0]=2 7322 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,0,0,1,0,0|2,0,0]=3 7323 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 7324 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 7325 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,0,0,1,0,0|2,0,0]=3 7326 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,0,0,1,0,0|2,0,0]=3 7327 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 7328 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 7329 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,0,0,1,0,0|2,0,0]=3 7330 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [0,0,0,1,0,0|2,0,0]=3 7331 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 7332 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 7333 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [0,0,0,1,0,0|2,0,0]=3 7334 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,0,0,1,0,0|2,0,0]=3 7335 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,0,0,1,0,0|2,0,0]=3 7336 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,0,0,1,0,0|2,0,0]=3 7337 B11R1.40 CNC(=O)CN1CCCOC1 2230a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 7338 B11R1.40 CNC(=O)CN1CCCOC1 269982a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 7339 B11R1.40 CNC(=O)CN1CCCOC1 34a_100000131196_100000183359 [0,0,0,1,0,0|3,0,0]=4 7340 B11R1.40 CNC(=O)CN1CCOCC1 11a_106832991635_100000740321 [0,0,0,1,0,0|3,0,0]=4 7341 B11R1.40 CNC(=O)CN1CCOCC1 2230a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 7342 B11R1.40 CNC(=O)CN1CCOCC1 240690a_100102657272_100000740321 [0,0,0,1,0,0|3,0,0]=4 7343 B11R1.40 CNC(=O)CN1CCOCC1 269982a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 7344 B11R1.40 CNC(=O)CN1CCOCC1 34a_100015191051_100000183359 [0,0,0,1,0,0|3,0,0]=4 7345 B11R1.40 CNC(=O)CN1CCOCC1 527a_100102657272_100000740321 [0,0,0,1,0,0|3,0,0]=4 7346 B11R1.40 CNC(=O)CN1CCSCC1 2230a_100000737611_100000183359 [0,0,0,1,0,0|3,0,0]=4 7347 B11R1.40 CNC(=O)CN1CCSCC1 269982a_100000737611_100000183359 [0,0,0,1,0,0|3,0,0]=4 7348 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,0,0,1,0,0|2,0,0]=3 7349 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,0,0,1,0,0|2,0,0]=3 7350 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,0,0,1,0,0|2,0,0]=3 7351 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,0,0,1,0,0|2,0,0]=3 7352 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,0,0,1,0,0|3,0,0]=4 7353 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,0,0,1,0,0|3,0,0]=4 7354 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,0,0,1,0,0|3,0,0]=4 7355 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,0,0,1,0,0|3,0,0]=4 7356 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,0,0,1,0,0|3,0,0]=4 7357 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,0,0,1,0,0|3,0,0]=4 7358 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100000741149_106832991635 [0,0,0,1,0,0|3,0,0]=4 7359 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100102657272_100000741149 [0,0,0,1,0,0|3,0,0]=4 7360 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100000741149_100102657272 [0,0,0,1,0,0|3,0,0]=4 7361 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100102657272_100000741149 [0,0,0,1,0,0|3,0,0]=4 7362 B11R1.40 CNC(=O)NC1CCOCC1 512a_100000741149_100102657272 [0,0,0,1,0,0|3,0,0]=4 7363 B11R1.40 CNC(=O)NC1CCOCC1 512a_106832991638_100000741149 [0,0,0,1,0,0|3,0,0]=4 7364 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100000748639_106832991635 [0,0,0,1,0,0|3,0,0]=4 7365 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100102657272_100000748639 [0,0,0,1,0,0|3,0,0]=4 7366 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100000748639_100102657272 [0,0,0,1,0,0|3,0,0]=4 7367 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100102657272_100000748639 [0,0,0,1,0,0|3,0,0]=4 7368 B11R1.40 CNC(=O)NC1CCSCC1 512a_100000748639_100102657272 [0,0,0,1,0,0|3,0,0]=4 7369 B11R1.40 CNC(=O)NC1CCSCC1 512a_106832991638_100000748639 [0,0,0,1,0,0|3,0,0]=4 7370 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [0,0,0,1,0,0|2,0,1]=4 7371 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [0,0,0,1,0,0|3,0,0]=4 7372 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [0,0,0,1,0,0|3,0,0]=4 7373 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [0,0,0,1,0,0|3,0,0]=4 7374 B11R1.40 COC(=O)CN1CCOCC1 2230a_100015191051_100000747449 [0,0,0,1,0,0|3,0,0]=4 7375 B11R1.40 COC(=O)CN1CCOCC1 269982a_100015191051_100000747449 [0,0,0,1,0,0|3,0,0]=4 7376 B11R1.40 COC(=O)CN1CCOCC1 34a_100015191051_100000747449 [0,0,0,1,0,0|3,0,0]=4 7377 B11R1.40 COC(=O)CN1CCSCC1 2230a_100000737611_100000747449 [0,0,0,1,0,0|3,0,0]=4 7378 B11R1.40 COC(=O)CN1CCSCC1 269982a_100000737611_100000747449 [0,0,0,1,0,0|3,0,0]=4 7379 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,0,0,1,0,0|1,0,2]=4 7380 B11R1.40 O=C(CF)CC1=CCCCC1 1458a_100000039269_100015361967 [0,0,0,1,0,0|1,0,2]=4 7381 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,0,0,1,0,0|1,0,0]=2 7382 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,0,0,1,0,0|2,0,0]=3 7383 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,0,0,1,0,0|2,0,0]=3 7384 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [0,0,0,1,0,0|2,0,0]=3 7385 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [0,0,0,1,0,0|2,0,0]=3 7386 B11R1.40 O=C(CF)CN1CCOCC1 1458a_100000740321_100015361967 [0,0,0,1,0,0|3,0,0]=4 7387 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,0,0,1,0,0|1,0,0]=2 7388 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,0,0,1,0,0|2,0,0]=3 7389 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,0,0,1,0,0|2,0,0]=3 7390 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,0,0,1,0,0|2,0,0]=3 7391 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,0,0,1,0,0|2,0,0]=3 7392 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,0,0,1,0,0|2,0,0]=3 7393 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,0,0,1,0,0|3,0,0]=4 7394 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,0,0,1,0,0|3,0,0]=4 7395 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [0,0,0,1,0,0|3,0,0]=4 7396 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [0,0,0,1,0,0|3,0,0]=4 7397 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [0,0,0,1,0,0|3,0,0]=4 7398 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [0,0,0,1,0,0|3,0,0]=4 7399 B11R1.46 CCCCCOCC1CC1C 34a_100000744939_100000718602 [0,0,0,1,0,0|2,0,1]=4 7400 B11R1.46 CCCCCOCC1CC1C 7a_100000744939_100000210326 [0,0,0,1,0,0|2,0,1]=4 7401 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [0,0,0,1,0,0|2,0,0]=3 7402 B11R1.47 CCCCCCNC1CCC1 2230a_100000749019_100000210314 [0,0,0,1,0,0|2,0,1]=4 7403 B11R1.47 CCCCCCNC1CCC1 270004a_100000210581_100000241760 [0,0,0,1,0,0|2,0,1]=4 7404 B11R1.47 CCCCCCNC1CCC1 34a_100000749019_100000210314 [0,0,0,1,0,0|2,0,1]=4 7405 B11R1.47 CCCCCCOC1CCC1 34a_100000210259_100000749161 [0,0,0,1,0,0|2,0,1]=4 7406 B11R1.47 CCCCCCOC1CCC1 34a_100000748187_100000210314 [0,0,0,1,0,0|2,0,1]=4 7407 B11R1.47 CCCCCCSC1CCC1 62a_100000210314_100000749161 [0,0,0,1,0,0|2,0,1]=4 7408 B11R1.47 CCCCCNCC1CCC1 2230a_100000209983_100000763275 [0,0,0,1,0,0|2,0,1]=4 7409 B11R1.47 CCCCCNCC1CCC1 2230a_100000738700_100000210326 [0,0,0,1,0,0|2,0,1]=4 7410 B11R1.47 CCCCCNCC1CCC1 269862a_100000209983_100000753134 [0,0,0,1,0,0|2,0,1]=4 7411 B11R1.47 CCCCCNCC1CCC1 34a_100000738700_100000718602 [0,0,0,1,0,0|2,0,1]=4 7412 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [0,0,0,1,0,0|1,0,2]=4 7413 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [0,0,0,1,0,0|1,0,2]=4 7414 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [0,0,0,1,0,0|1,0,2]=4 7415 B11R1.47 CCCCCNN=C1CCC1 4a_100000694160_100000241760 [0,0,0,1,0,0|3,0,0]=4 7416 B11R1.47 CCCCCOCC1CCC1 34a_100000210253_100000763275 [0,0,0,1,0,0|2,0,1]=4 7417 B11R1.47 CCCCCOCC1CCC1 34a_100000760304_100000718602 [0,0,0,1,0,0|2,0,1]=4 7418 B11R1.47 CCCCCOCC1CCC1 7a_100000210253_100000763275 [0,0,0,1,0,0|2,0,1]=4 7419 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [0,0,0,1,0,0|1,0,2]=4 7420 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [0,0,0,1,0,0|1,0,2]=4 7421 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [0,0,0,1,0,0|1,0,2]=4 7422 B11R1.47 CCCCCSCC1CCC1 62a_100000210326_100000763275 [0,0,0,1,0,0|2,0,1]=4 7423 B11R1.47 CCCCCSCC1CCC1 62a_100000763275_100000210326 [0,0,0,1,0,0|2,0,1]=4 7424 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [0,0,0,1,0,0|1,0,2]=4 7425 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [0,0,0,1,0,0|1,0,2]=4 7426 B11R1.47 CCCCOCCN1CCC1 269982a_100000754969_100000743108 [0,0,0,1,0,0|3,0,0]=4 7427 B11R1.47 FCCCCCCN1CCC1 269982a_100000754969_100015922095 [0,0,0,1,0,0|3,0,0]=4 7428 B11R1.47 OCCCCCCN1CCC1 269982a_100000754969_100000766143 [0,0,0,1,0,0|3,0,0]=4 7429 B11R1.59 C=CC(=O)N1CCCC1CC 1626a_100000754278_100000185746 [0,0,0,1,0,0|1,0,2]=4 7430 B11R1.59 C=CC(=O)N1CCCC1CC 240690a_100000754278_200121576911 [0,0,0,1,0,0|1,0,2]=4 7431 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,0,0,1,0,0|1,0,0]=2 7432 B11R1.59 CCC(=O)N1CC=CC1CC 11a_100000730860_100000210414 [0,0,0,1,0,0|1,0,2]=4 7433 B11R1.59 CCC(=O)N1CC=CC1CC 1626a_100000730860_100000210414 [0,0,0,1,0,0|1,0,2]=4 7434 B11R1.59 CCC(=O)N1CC=CC1CC 240690a_100000730860_100000210414 [0,0,0,1,0,0|1,0,2]=4 7435 B11R1.59 CCC(=O)N1CC=CC1CC 527a_100000730860_100000210414 [0,0,0,1,0,0|1,0,2]=4 7436 B11R1.59 CCC(=O)N1CCCC1C#N 11a_100000701862_100000210414 [0,0,0,1,0,0|2,0,1]=4 7437 B11R1.59 CCC(=O)N1CCCC1C#N 1626a_100000701862_100000210414 [0,0,0,1,0,0|2,0,1]=4 7438 B11R1.59 CCC(=O)N1CCCC1C#N 240690a_100000701862_100000210414 [0,0,0,1,0,0|2,0,1]=4 7439 B11R1.59 CCC(=O)N1CCCC1C#N 527a_100000701862_100000210414 [0,0,0,1,0,0|2,0,1]=4 7440 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,0,0,1,0,0|1,0,0]=2 7441 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,0,0,1,0,0|1,0,0]=2 7442 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,0,0,1,0,0|1,0,0]=2 7443 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,0,0,1,0,0|1,0,0]=2 7444 B11R1.59 CCC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100000210414 [0,0,0,1,0,0|2,0,1]=4 7445 B11R1.59 CCC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100000210414 [0,0,0,1,0,0|2,0,1]=4 7446 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [0,0,0,1,0,0|2,0,0]=3 7447 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [0,0,0,1,0,0|2,0,0]=3 7448 B11R1.59 CCC(C)N1CCCC1CC 2230a_100000754278_100000758301 [0,0,0,1,0,0|2,0,1]=4 7449 B11R1.59 CCC(C)N1CCCC1CC 269982a_100000754278_100000758301 [0,0,0,1,0,0|2,0,1]=4 7450 B11R1.59 CCC(C)N1CCCC1CC 34a_100000754278_100011215416 [0,0,0,1,0,0|2,0,1]=4 7451 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,0,0,1,0,0|2,0,0]=3 7452 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,0,0,1,0,0|2,0,0]=3 7453 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [0,0,0,1,0,0|2,0,0]=3 7454 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [0,0,0,1,0,0|2,0,0]=3 7455 B11R1.59 CCN1CCCC1C(=O)CF 1458a_106256033941_100015361967 [0,0,0,1,0,0|2,0,0]=3 7456 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [0,0,0,1,0,0|2,0,0]=3 7457 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [0,0,0,1,0,0|2,0,0]=3 7458 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [0,0,0,1,0,0|2,0,0]=3 7459 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [0,0,0,1,0,0|2,0,0]=3 7460 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [0,0,0,1,0,0|2,0,0]=3 7461 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [0,0,0,1,0,0|2,0,0]=3 7462 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [0,0,0,1,0,0|2,0,0]=3 7463 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [0,0,0,1,0,0|3,0,0]=4 7464 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [0,0,0,1,0,0|3,0,0]=4 7465 B11R1.59 CCN1CSCC1C(=O)OC 269982a_200000724679_100000204670 [0,0,0,1,0,0|3,0,0]=4 7466 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 2708a_100102657272_100000745186 [0,0,0,1,0,0|3,0,0]=4 7467 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 273464a_100102657272_100000745186 [0,0,0,1,0,0|3,0,0]=4 7468 B11R1.59 CNC(=O)[C@@H]1CCCN1CF 269982a_100015185040_100015361967 [0,0,0,1,0,0|3,0,0]=4 7469 B11R1.59 CNC(=O)[C@@H]1CCCN1CF 34a_100015185040_100015361967 [0,0,0,1,0,0|3,0,0]=4 7470 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,0,0,1,0,0|2,0,0]=3 7471 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,0,0,1,0,0|2,0,0]=3 7472 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,0,0,1,0,0|2,0,0]=3 7473 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,0,0,1,0,0|2,0,0]=3 7474 B11R1.59 COC(=O)[C@@H]1CCCN1CF 269982a_100000752040_100015361967 [0,0,0,1,0,0|3,0,0]=4 7475 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 240690a_100000745186_100000210174 [0,0,0,1,0,0|3,0,0]=4 7476 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 527a_100000745186_100000210174 [0,0,0,1,0,0|3,0,0]=4 7477 B11R1.115 CCC(=O)N1CCC1COC 11a_100015195929_100000210414 [0,0,0,1,0,0|2,0,0]=3 7478 B11R1.115 CCC(=O)N1CCC1COC 1626a_100015195929_100000210414 [0,0,0,1,0,0|2,0,0]=3 7479 B11R1.115 CCC(=O)N1CCC1COC 240690a_100015195929_100000210414 [0,0,0,1,0,0|2,0,0]=3 7480 B11R1.115 CCC(=O)N1CCC1COC 527a_100015195929_100000210414 [0,0,0,1,0,0|2,0,0]=3 7481 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [0,0,0,1,0,0|2,0,0]=3 7482 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [0,0,0,1,0,0|2,0,0]=3 7483 B11R1.115 CNC(=O)N1CCC1COC 2708a_100102657272_100015195929 [0,0,0,1,0,0|3,0,0]=4 7484 B11R1.115 CNC(=O)N1CCC1COC 273464a_100102657272_100015195929 [0,0,0,1,0,0|3,0,0]=4 7485 B11R1.115 COC(=O)[C@@H]1CCN1CCF 2230a_102516456887_100011217306 [0,0,0,1,0,0|3,0,0]=4 7486 B11R1.115 COC(=O)[C@@H]1CCN1CCF 269982a_102516456887_100011217306 [0,0,0,1,0,0|3,0,0]=4 7487 B11R1.115 COC(=O)[C@@H]1CCN1CCO 2230a_102516456887_100000211926 [0,0,0,1,0,0|3,0,0]=4 7488 B11R1.115 COC(=O)[C@@H]1CCN1CCO 269982a_102516456887_100000211926 [0,0,0,1,0,0|3,0,0]=4 7489 B11R1.115 COC(=O)[C@@H]1CCN1CSC 2230a_102516456887_100011218213 [0,0,0,1,0,0|3,0,0]=4 7490 B11R1.115 COC(=O)[C@@H]1CCN1CSC 269982a_102516456887_100011218213 [0,0,0,1,0,0|3,0,0]=4 7491 B11R1.115 COCC1CCN1C(=O)CO 240690a_100015195929_100000210174 [0,0,0,1,0,0|3,0,0]=4 7492 B11R1.115 COCC1CCN1C(=O)CO 527a_100015195929_100000210174 [0,0,0,1,0,0|3,0,0]=4 7493 B11R1.115 COCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000766300 [0,0,0,1,0,0|3,0,0]=4 7494 B11R1.115 COCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000766300 [0,0,0,1,0,0|3,0,0]=4 7495 B11R1.135 CCCN1CCCC(CC1)C 2230a_100025706717_100000210303 [0,0,0,1,0,0|2,0,1]=4 7496 B11R1.135 CCCN1CCCC(CC1)C 269982a_100025706717_100000210303 [0,0,0,1,0,0|2,0,1]=4 7497 B11R1.135 CCCN1CCCC(CC1)C 34a_100025706717_100000210303 [0,0,0,1,0,0|2,0,1]=4 7498 B11R1.135 CCCN1CCCC(CC1)O 2230a_100015186869_100000210303 [0,0,0,1,0,0|1,0,2]=4 7499 B11R1.135 CCCN1CCCC(CC1)O 269982a_100015186869_100000210303 [0,0,0,1,0,0|1,0,2]=4 7500 B11R1.135 CCCN1CCCN(CC1)C 2230a_100000211313_100000210303 [0,0,0,1,0,0|3,0,0]=4 7501 B11R1.135 CCCN1CCCN(CC1)C 2230a_100000748530_200000210301 [0,0,0,1,0,0|3,0,0]=4 7502 B11R1.135 CCCN1CCCN(CC1)C 269982a_100000211313_100000210303 [0,0,0,1,0,0|3,0,0]=4 7503 B11R1.135 CCCN1CCCN(CC1)C 269982a_100000748530_200000210301 [0,0,0,1,0,0|3,0,0]=4 7504 B11R1.135 CCCN1CCCN(CC1)[13CH3] 2230a_100000748530_200025704644 [0,0,0,1,0,0|3,0,0]=4 7505 B11R1.135 CCCN1CCCN(CC1)[13CH3] 269982a_100000748530_200025704644 [0,0,0,1,0,0|3,0,0]=4 7506 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,0,1,0,0|2,0,0]=3 7507 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,0,1,0,0|2,0,0]=3 7508 B11R1.135 COCN1CCNC(=O)CC1 2230a_100000698595_100000766300 [0,0,0,1,0,0|3,0,0]=4 7509 B11R1.135 COCN1CCNC(=O)CC1 269982a_100000698595_100000766300 [0,0,0,1,0,0|3,0,0]=4 7510 B11R1.135 CSCN1CCNC(=O)CC1 2230a_100000698595_100011218213 [0,0,0,1,0,0|3,0,0]=4 7511 B11R1.135 CSCN1CCNC(=O)CC1 269982a_100000698595_100011218213 [0,0,0,1,0,0|3,0,0]=4 7512 B11R1.135 O=C1CCN(CCN1)CCF 2230a_100000698595_100011217306 [0,0,0,1,0,0|3,0,0]=4 7513 B11R1.135 O=C1CCN(CCN1)CCF 269982a_100000698595_100011217306 [0,0,0,1,0,0|3,0,0]=4 7514 B11R1.135 O=C1CCN(CCN1)CCO 2230a_100000698595_100000211926 [0,0,0,1,0,0|3,0,0]=4 7515 B11R1.135 O=C1CCN(CCN1)CCO 269982a_100000698595_100000211926 [0,0,0,1,0,0|3,0,0]=4 7516 B11R1.189 CCN1CCCC(C1)CCO 2230a_100000752241_100000210202 [0,0,0,1,0,0|3,0,0]=4 7517 B11R1.189 CCN1CCCC(C1)CCO 269982a_100000752241_100000204670 [0,0,0,1,0,0|3,0,0]=4 7518 B11R1.189 CCN1CCCC(C1)CCO 34a_100000752241_100000210202 [0,0,0,1,0,0|3,0,0]=4 7519 B11R1.189 CCN1CCCC(C1)CNC 2230a_100000747413_200000210301 [0,0,0,1,0,0|3,0,0]=4 7520 B11R1.189 CCN1CCCC(C1)CN[13CH3] 2230a_100000747413_200025704644 [0,0,0,1,0,0|3,0,0]=4 7521 B11R1.189 CCN1CCCC(C1)COC 2230a_100000755410_100000210202 [0,0,0,1,0,0|3,0,0]=4 7522 B11R1.189 CCN1CCCC(C1)COC 269982a_100000755410_100000204670 [0,0,0,1,0,0|3,0,0]=4 7523 B11R1.189 CCN1CCCC(C1)COC 34a_100000755410_100000210202 [0,0,0,1,0,0|3,0,0]=4 7524 B11R1.189 CCN1CCCC(C1)COC 7a_200000227639_200000210301 [0,0,0,1,0,0|3,0,0]=4 7525 B11R1.189 CCN1CCCC(C1)CO[13CH3] 7a_200000227639_200025704644 [0,0,0,1,0,0|3,0,0]=4 7526 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,0,0,1,0,0|2,0,1]=4 7527 B11R1.189 CCN[C@@H]1CCCN(C1)CC 2230a_100025775482_100000210202 [0,0,0,1,0,0|3,0,0]=4 7528 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,0,0,1,0,0|2,0,1]=4 7529 B11R1.189 CCOC1CCCN(C1)CC 2230a_100000745229_100000210202 [0,0,0,1,0,0|3,0,0]=4 7530 B11R1.189 CCOC1CCCN(C1)CC 269982a_100000745229_100000204670 [0,0,0,1,0,0|3,0,0]=4 7531 B11R1.189 CCOC1CCCN(C1)CC 34a_100000745229_100000210202 [0,0,0,1,0,0|3,0,0]=4 7532 B11R1.190 C#CCCCNC1CCC1=O 34a_100000718082_100009892977 [0,0,0,1,0,0|1,0,2]=4 7533 B11R1.190 C#CCCCOC1CCC1=O 34a_100000215630_100009892977 [0,0,0,1,0,0|1,0,2]=4 7534 B11R1.190 C#CCCCOC1CCC1=O 7a_100000215630_100009892977 [0,0,0,1,0,0|1,0,2]=4 7535 B11R1.190 C#CCCCSC1CCC1=O 62a_100009892977_100011215417 [0,0,0,1,0,0|1,0,2]=4 7536 B11R1.190 C#CCCCSC1CCC1=O 62a_100011215417_100009892977 [0,0,0,1,0,0|1,0,2]=4 7537 B11R1.190 C#CCSCCC1CCC1=O 62a_100000038162_200016118888 [0,0,0,1,0,0|1,0,2]=4 7538 B11R1.190 C/C=C/CCOC1CCC1=O 34a_100016278192_100009892977 [0,0,0,1,0,0|1,0,2]=4 7539 B11R1.190 C=CCCCNC1CCC1=O 34a_100000700776_100009892977 [0,0,0,1,0,0|1,0,2]=4 7540 B11R1.190 C=CCCCOC1CCC1=O 34a_100000758997_100009892977 [0,0,0,1,0,0|1,0,2]=4 7541 B11R1.190 C=CCCCOC1CCC1=O 7a_100000758997_100009892977 [0,0,0,1,0,0|1,0,2]=4 7542 B11R1.190 C=CCCCSC1CCC1=O 62a_100009892977_100000757094 [0,0,0,1,0,0|1,0,2]=4 7543 B11R1.190 C=CCCCSC1CCC1=O 62a_100011713584_100009892977 [0,0,0,1,0,0|1,0,2]=4 7544 B11R1.190 C=CCNCCC1CCC1=O 2230a_100020586998_200016118888 [0,0,0,1,0,0|1,0,2]=4 7545 B11R1.190 C=CCSCCC1CCC1=O 62a_100000210623_200016118888 [0,0,0,1,0,0|1,0,2]=4 7546 B11R1.190 C=CCSCCC1CCC1=O 62a_200016118888_100000210623 [0,0,0,1,0,0|1,0,2]=4 7547 B11R1.190 CC#CCCOC1CCC1=O 34a_100000750427_100009892977 [0,0,0,1,0,0|1,0,2]=4 7548 B11R1.190 CC/C=C\COC1CCC1=O 34a_100016268518_100009892977 [0,0,0,1,0,0|1,0,2]=4 7549 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100009892977_100103147603 [0,0,0,1,0,0|1,0,2]=4 7550 B11R1.190 CC/C=C\CSC1CCC1=O 62a_100103147603_100009892977 [0,0,0,1,0,0|1,0,2]=4 7551 B11R1.190 CCC#CCOC1CCC1=O 34a_100000032950_100009892977 [0,0,0,1,0,0|1,0,2]=4 7552 B11R1.190 CCC#CCSC1CCC1=O 62a_100009813939_100009892977 [0,0,0,1,0,0|1,0,2]=4 7553 B11R1.190 CCC#CCSC1CCC1=O 62a_100009892977_100009813939 [0,0,0,1,0,0|1,0,2]=4 7554 B11R1.190 CCCCCCN1CCC1C 269982a_100000755817_100000210757 [0,0,0,1,0,0|2,0,1]=4 7555 B11R1.190 CCCCCCN1CCC1C 34a_100000755817_100000210314 [0,0,0,1,0,0|2,0,1]=4 7556 B11R1.190 CCCCCOC1CCC1=O 34a_100000210253_100009892977 [0,0,0,1,0,0|1,0,0]=2 7557 B11R1.190 CCCCCOC1CCC1=O 7a_100000210253_100009892977 [0,0,0,1,0,0|1,0,0]=2 7558 B11R1.190 CCCCCSC1CCC1=O 62a_100000210326_100009892977 [0,0,0,1,0,0|1,0,0]=2 7559 B11R1.190 CCCCCSC1CCC1=O 62a_100009892977_100000210326 [0,0,0,1,0,0|1,0,0]=2 7560 B11R1.190 CCCSCCC1CCC1=O 62a_100000210303_200016118888 [0,0,0,1,0,0|1,0,0]=2 7561 B11R1.190 CCCSCCC1CCC1=O 62a_200016118888_100000210303 [0,0,0,1,0,0|1,0,0]=2 7562 B11R1.190 CCOCCNC1CCC1=O 34a_102516460346_100009892977 [0,0,0,1,0,0|2,0,0]=3 7563 B11R1.190 CCOCCOC1CCC1=O 34a_100000210136_100009892977 [0,0,0,1,0,0|2,0,0]=3 7564 B11R1.190 CCOCCOC1CCC1=O 7a_100000210136_100009892977 [0,0,0,1,0,0|2,0,0]=3 7565 B11R1.190 CCOCCSC1CCC1=O 62a_100000210147_100009892977 [0,0,0,1,0,0|2,0,0]=3 7566 B11R1.190 CCOCCSC1CCC1=O 62a_100009892977_100011215890 [0,0,0,1,0,0|2,0,0]=3 7567 B11R1.190 CCSCCOC1CCC1=O 34a_100000212035_100009892977 [0,0,0,1,0,0|2,0,0]=3 7568 B11R1.190 CCSCCOC1CCC1=O 7a_100000212035_100009892977 [0,0,0,1,0,0|2,0,0]=3 7569 B11R1.190 CCSCCSC1CCC1=O 62a_100000757381_100009892977 [0,0,0,1,0,0|2,0,0]=3 7570 B11R1.190 CCSCCSC1CCC1=O 62a_100009892977_100000757381 [0,0,0,1,0,0|2,0,0]=3 7571 B11R1.190 CNCCCOC1CCC1=O 34a_100000213112_100009892977 [0,0,0,1,0,0|2,0,0]=3 7572 B11R1.190 COCCCNC1CCC1=O 34a_100150723488_100009892977 [0,0,0,1,0,0|2,0,0]=3 7573 B11R1.190 COCCCOC1CCC1=O 34a_100000740835_100009892977 [0,0,0,1,0,0|2,0,0]=3 7574 B11R1.190 COCCCSC1CCC1=O 62a_100000709357_100009892977 [0,0,0,1,0,0|2,0,0]=3 7575 B11R1.190 COCCCSC1CCC1=O 62a_100009892977_100000709357 [0,0,0,1,0,0|2,0,0]=3 7576 B11R1.190 COCSCCC1CCC1=O 62a_100000766300_200016118888 [0,0,0,1,0,0|2,0,0]=3 7577 B11R1.190 COCSCCC1CCC1=O 62a_200016118888_100000766300 [0,0,0,1,0,0|2,0,0]=3 7578 B11R1.190 CSCCCOC1CCC1=O 34a_100000690336_100009892977 [0,0,0,1,0,0|2,0,0]=3 7579 B11R1.190 CSCCCOC1CCC1=O 7a_100000690336_100009892977 [0,0,0,1,0,0|2,0,0]=3 7580 B11R1.190 CSCSCCC1CCC1=O 62a_100011218213_200016118888 [0,0,0,1,0,0|2,0,0]=3 7581 B11R1.190 CSCSCCC1CCC1=O 62a_200016118888_100011218213 [0,0,0,1,0,0|2,0,0]=3 7582 B11R1.190 N#CCCCSC1CCC1=O 62a_100000687738_100009892977 [0,0,0,1,0,0|2,0,1]=4 7583 B11R1.190 N#CCCCSC1CCC1=O 62a_100009892977_100000687738 [0,0,0,1,0,0|2,0,1]=4 7584 B11R1.190 N#CCSCCC1CCC1=O 62a_100011215382_200016118888 [0,0,0,1,0,0|2,0,1]=4 7585 B11R1.190 N#CCSCCC1CCC1=O 62a_200016118888_100011215382 [0,0,0,1,0,0|2,0,1]=4 7586 B11R1.190 NCCCCOC1CCC1=O 34a_100000750430_100009892977 [0,0,0,1,0,0|2,0,0]=3 7587 B11R1.190 O=C1CCC1CCNCCO 2230a_100016997473_200016118888 [0,0,0,1,0,0|2,0,0]=3 7588 B11R1.190 O=C1CCC1CCSCCF 62a_100011217306_200016118888 [0,0,0,1,0,0|2,0,0]=3 7589 B11R1.190 O=C1CCC1CCSCCF 62a_200016118888_100011217306 [0,0,0,1,0,0|2,0,0]=3 7590 B11R1.190 O=C1CCC1CCSCCO 62a_100000211926_200016118888 [0,0,0,1,0,0|2,0,0]=3 7591 B11R1.190 O=C1CCC1CCSCCO 62a_200016118888_100000211926 [0,0,0,1,0,0|2,0,0]=3 7592 B11R1.190 O=C1CCC1NCCCCO 34a_100000750430_100009892977 [0,0,0,1,0,0|2,0,0]=3 7593 B11R1.190 O=C1CCC1OCCCCBr 34a_100011216708_100009892977 [0,0,0,1,0,0|2,0,0]=3 7594 B11R1.190 O=C1CCC1OCCCCCl 34a_100000210776_100009892977 [0,0,0,1,0,0|2,0,0]=3 7595 B11R1.190 O=C1CCC1OCCCCCl 7a_100000210776_100009892977 [0,0,0,1,0,0|2,0,0]=3 7596 B11R1.190 O=C1CCC1OCCCCF 34a_100011995726_100009892977 [0,0,0,1,0,0|2,0,0]=3 7597 B11R1.190 O=C1CCC1OCCCCF 7a_100011995726_100009892977 [0,0,0,1,0,0|2,0,0]=3 7598 B11R1.190 O=C1CCC1OCCCCI 34a_200012148704_100009892977 [0,0,0,1,0,0|2,0,0]=3 7599 B11R1.190 O=C1CCC1SCCCCF 62a_100000729493_100009892977 [0,0,0,1,0,0|2,0,0]=3 7600 B11R1.190 O=C1CCC1SCCCCF 62a_100009892977_100000729493 [0,0,0,1,0,0|2,0,0]=3 7601 B11R1.190 O=C1CCC1SCCCCO 62a_100000210776_100009892977 [0,0,0,1,0,0|2,0,0]=3 7602 B11R1.190 O=C1CCC1SCCCCO 62a_100009892977_100000210776 [0,0,0,1,0,0|2,0,0]=3 7603 B11R1.190 O=CCCCSC1CCC1=O 62a_100009892977_200011292268 [0,0,0,1,0,0|2,0,1]=4 7604 B11R1.190 O=CCCCSC1CCC1=O 62a_200011292268_100009892977 [0,0,0,1,0,0|2,0,1]=4 7605 B11R1.190 O=CCSCCC1CCC1=O 62a_200015260668_200016118888 [0,0,0,1,0,0|2,0,1]=4 7606 B11R1.190 O=CCSCCC1CCC1=O 62a_200016118888_200015260668 [0,0,0,1,0,0|2,0,1]=4 7607 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [0,0,0,1,0,0|2,0,1]=4 7608 B11R1.214 CCCNC1CCN(C1)CC 2230a_100015188829_100000210303 [0,0,0,1,0,0|3,0,0]=4 7609 B11R1.214 CCCSC1CCN(C1)CC 62a_100000210303_200011861547 [0,0,0,1,0,0|3,0,0]=4 7610 B11R1.214 CCNCC1CCN(C1)CC 2230a_100011224064_100000210202 [0,0,0,1,0,0|3,0,0]=4 7611 B11R1.214 CCNCC1CCN(C1)CC 2230a_100015525214_100015184589 [0,0,0,1,0,0|3,0,0]=4 7612 B11R1.214 CCSCC1CCN(C1)CC 62a_100000210202_100015184589 [0,0,0,1,0,0|3,0,0]=4 7613 B11R1.214 CCSCC1CCN(C1)CC 62a_100015184589_100000210202 [0,0,0,1,0,0|3,0,0]=4 7614 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [0,0,0,1,0,0|2,0,0]=3 7615 B11R1.218 COC(=O)C1CN1CCCF 2230a_200009830135_100011934791 [0,0,0,1,0,0|3,0,0]=4 7616 B11R1.218 COC(=O)C1CN1CCCO 2230a_200009830135_100000230001 [0,0,0,1,0,0|3,0,0]=4 7617 B11R1.218 COC(=O)C1CN1CCSC 2230a_200009830135_100000751147 [0,0,0,1,0,0|3,0,0]=4 7618 B11R1.218 COCCN1CC1C(=O)OC 2230a_200009830135_100011201679 [0,0,0,1,0,0|3,0,0]=4 7619 B11R1.222 C=CC(=O)N1CCCCC1C 1626a_100000211376_100000185746 [0,0,0,1,0,0|1,0,2]=4 7620 B11R1.222 C=CC(=O)N1CCCCC1C 240690a_100000211376_200121576911 [0,0,0,1,0,0|1,0,2]=4 7621 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,0,0,1,0,0|1,0,0]=2 7622 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,0,0,1,0,0|2,0,0]=3 7623 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,0,0,1,0,0|2,0,0]=3 7624 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,0,0,1,0,0|1,0,1]=3 7625 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,0,0,1,0,0|0,0,0]=1 7626 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,0,0,1,0,0|1,0,0]=2 7627 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,0,0,1,0,0|2,0,1]=4 7628 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,0,0,1,0,0|2,0,1]=4 7629 B11R1.222 CCC(=O)C1COCCC1=O 1458a_100000210414_100012180262 [0,0,0,1,0,0|2,0,1]=4 7630 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,0,0,1,0,0|1,0,0]=2 7631 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,0,0,1,0,0|1,0,0]=2 7632 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,0,0,1,0,0|1,0,0]=2 7633 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,0,0,1,0,0|1,0,0]=2 7634 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210414 [0,0,0,1,0,0|2,0,0]=3 7635 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210414 [0,0,0,1,0,0|2,0,0]=3 7636 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210414 [0,0,0,1,0,0|2,0,0]=3 7637 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,0,0,1,0,0|1,0,0]=2 7638 B11R1.222 CCC(C)N1CCCCC1C 2230a_100000211376_100000758301 [0,0,0,1,0,0|2,0,1]=4 7639 B11R1.222 CCC(C)N1CCCCC1C 269982a_100000211376_100000758301 [0,0,0,1,0,0|2,0,1]=4 7640 B11R1.222 CCC(C)N1CCCCC1C 34a_100000211376_100011215416 [0,0,0,1,0,0|2,0,1]=4 7641 B11R1.222 CCN(C)C1CCCCC1F 269982a_100000225621_100015423560 [0,0,0,1,0,0|3,0,0]=4 7642 B11R1.222 CCN(C)C1CCCCC1O 269982a_100000225621_100000038908 [0,0,0,1,0,0|3,0,0]=4 7643 B11R1.222 CCN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000204670 [0,0,0,1,0,0|3,0,0]=4 7644 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [0,0,0,1,0,0|2,0,0]=3 7645 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,0,0,1,0,0|1,0,0]=2 7646 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 7647 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 7648 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,0,0,1,0,0|1,0,0]=2 7649 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 7650 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 7651 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [0,0,0,1,0,0|2,0,0]=3 7652 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 7653 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 7654 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [0,0,0,1,0,0|2,0,0]=3 7655 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [0,0,0,1,0,0|2,0,0]=3 7656 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [0,0,0,1,0,0|2,0,0]=3 7657 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 2708a_100102657272_100009815349 [0,0,0,1,0,0|3,0,0]=4 7658 B11R1.222 CNC(=O)N1CCOC[C@@H]1C 273464a_100102657272_100009815349 [0,0,0,1,0,0|3,0,0]=4 7659 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [0,0,0,1,0,0|2,0,0]=3 7660 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 7661 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 7662 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [0,0,0,1,0,0|2,0,0]=3 7663 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,0,0,1,0,0|2,0,0]=3 7664 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,0,0,1,0,0|2,0,0]=3 7665 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,0,0,1,0,0|2,0,0]=3 7666 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,0,0,1,0,0|2,0,0]=3 7667 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,0,0,1,0,0|2,0,0]=3 7668 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,0,0,1,0,0|2,0,0]=3 7669 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [0,0,0,1,0,0|3,0,0]=4 7670 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [0,0,0,1,0,0|3,0,0]=4 7671 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [0,0,0,1,0,0|3,0,0]=4 7672 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [0,0,0,1,0,0|3,0,0]=4 7673 B11R1.222 C[C@H]1COCCN1C(=O)CO 240690a_100009815349_100000210174 [0,0,0,1,0,0|3,0,0]=4 7674 B11R1.222 C[C@H]1COCCN1C(=O)CO 527a_100009815349_100000210174 [0,0,0,1,0,0|3,0,0]=4 7675 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,0,0,1,0,0|2,0,0]=3 7676 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,0,0,1,0,0|2,0,1]=4 7677 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [0,0,0,1,0,0|1,0,1]=3 7678 B11R1.223 CCC(=O)COC1CCC1=O 34a_100000725409_100009892977 [0,0,0,1,0,0|2,0,1]=4 7679 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100000747405_100009892977 [0,0,0,1,0,0|2,0,1]=4 7680 B11R1.223 CCC(=O)CSC1CCC1=O 62a_100009892977_100000747405 [0,0,0,1,0,0|2,0,1]=4 7681 B11R1.223 CNC(=O)CCN1CCC1C 269982a_100000755817_100000737683 [0,0,0,1,0,0|2,0,0]=3 7682 B11R1.223 CNC(=O)CCN1CCC1C 34a_100000755817_100012179268 [0,0,0,1,0,0|2,0,0]=3 7683 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [0,0,0,1,0,0|2,0,0]=3 7684 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [0,0,0,1,0,0|2,0,0]=3 7685 B11R1.223 O=C(CO)CCC1CCC1=O 1458a_100000210174_200016118888 [0,0,0,1,0,0|2,0,1]=4 7686 B11R1.228 CCC(=O)CN1CCCC1=O 1458a_100000189602_100000210202 [0,0,0,1,0,0|2,0,1]=4 7687 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [0,0,0,1,0,0|1,0,0]=2 7688 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [0,0,0,1,0,0|1,0,0]=2 7689 B11R1.228 CCC(=O)CN1CCSC1C 269982a_200011216479_100000747405 [0,0,0,1,0,0|2,0,0]=3 7690 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [0,0,0,1,0,0|2,0,0]=3 7691 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [0,0,0,1,0,0|2,0,0]=3 7692 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100000210414 [0,0,0,1,0,0|3,0,0]=4 7693 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100000210414 [0,0,0,1,0,0|3,0,0]=4 7694 B11R1.228 CCC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100000210414 [0,0,0,1,0,0|3,0,0]=4 7695 B11R1.228 CCC(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748023 [0,0,0,1,0,0|2,0,1]=4 7696 B11R1.228 CCC(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748023 [0,0,0,1,0,0|2,0,1]=4 7697 B11R1.228 CCC(C)CN1CCC[C@@H]1C 270004a_100020605311_100000243153 [0,0,0,1,0,0|2,0,1]=4 7698 B11R1.228 CCC(C)CN1CCC[C@H]1C 2230a_100015189458_100000748023 [0,0,0,1,0,0|2,0,1]=4 7699 B11R1.228 CCC(C)CN1CCC[C@H]1C 269982a_100015189458_100000748023 [0,0,0,1,0,0|2,0,1]=4 7700 B11R1.228 CCC(C)CN1CCC[C@H]1C 270004a_100015189458_100000243153 [0,0,0,1,0,0|2,0,1]=4 7701 B11R1.228 CCC(C)CN1CCC[C@H]1C 34a_100015189458_100000748023 [0,0,0,1,0,0|2,0,1]=4 7702 B11R1.228 CCC(C)NC1CCCC1C 269862a_100000209981_100000752053 [0,0,0,1,0,0|2,0,1]=4 7703 B11R1.228 CCC(C)OC1CCCC1C 34a_100011216460_100011215416 [0,0,0,1,0,0|2,0,1]=4 7704 B11R1.228 CCC(C)OC1CCCC1C 7a_100011216460_100000758301 [0,0,0,1,0,0|2,0,1]=4 7705 B11R1.228 CCC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218378 [0,0,0,1,0,0|1,0,2]=4 7706 B11R1.228 CCC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218378 [0,0,0,1,0,0|1,0,2]=4 7707 B11R1.228 CCC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218378 [0,0,0,1,0,0|1,0,2]=4 7708 B11R1.228 CCC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218378 [0,0,0,1,0,0|1,0,2]=4 7709 B11R1.228 CCC(O)CN1CCC[C@H]1C 34a_100015189458_100011218378 [0,0,0,1,0,0|1,0,2]=4 7710 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 2230a_100020605311_100009816398 [0,0,0,1,0,0|2,0,1]=4 7711 B11R1.228 CC[C@H](C)CN1CCC[C@@H]1C 269982a_100020605311_100009816398 [0,0,0,1,0,0|2,0,1]=4 7712 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 2230a_100015189458_100009816398 [0,0,0,1,0,0|2,0,1]=4 7713 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 269982a_100015189458_100009816398 [0,0,0,1,0,0|2,0,1]=4 7714 B11R1.228 CC[C@H](C)CN1CCC[C@H]1C 34a_100015189458_100009816398 [0,0,0,1,0,0|2,0,1]=4 7715 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [0,0,0,1,0,0|2,0,0]=3 7716 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [0,0,0,1,0,0|2,0,0]=3 7717 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 7718 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 7719 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [0,0,0,1,0,0|2,0,0]=3 7720 B11R1.228 CNC(=O)CN1CCSC1C 2230a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 7721 B11R1.228 CNC(=O)CN1CCSC1C 269982a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 7722 B11R1.228 CNC(=O)CN1CCSC1C 34a_200011216479_100000183359 [0,0,0,1,0,0|3,0,0]=4 7723 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100102657272_100000748460 [0,0,0,1,0,0|3,0,0]=4 7724 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100102657272 [0,0,0,1,0,0|3,0,0]=4 7725 B11R1.228 CNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100102657272_100000748460 [0,0,0,1,0,0|3,0,0]=4 7726 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [0,0,0,1,0,0|2,0,0]=3 7727 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [0,0,0,1,0,0|2,0,0]=3 7728 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [0,0,0,1,0,0|2,0,0]=3 7729 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [0,0,0,1,0,0|2,0,0]=3 7730 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [0,0,0,1,0,0|2,0,0]=3 7731 B11R1.228 COC(=O)CN1CCSC1C 2230a_200011216479_100000747449 [0,0,0,1,0,0|3,0,0]=4 7732 B11R1.228 COC(=O)CN1CCSC1C 269982a_200011216479_100000747449 [0,0,0,1,0,0|3,0,0]=4 7733 B11R1.228 COC(=O)CN1CCSC1C 34a_200011216479_100000747449 [0,0,0,1,0,0|3,0,0]=4 7734 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [0,0,0,1,0,0|2,0,0]=3 7735 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [0,0,0,1,0,0|2,0,0]=3 7736 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [0,0,0,1,0,0|2,0,0]=3 7737 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [0,0,0,1,0,0|2,0,0]=3 7738 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [0,0,0,1,0,0|2,0,0]=3 7739 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [0,0,0,1,0,0|2,0,0]=3 7740 B11R1.228 O=C(CO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210174 [0,0,0,1,0,0|3,0,0]=4 7741 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [0,0,0,1,0,0|1,0,0]=2 7742 B11R1.235 CCC(C)COCC1CC1C 34a_100000744939_100000748023 [0,0,0,1,0,0|2,0,1]=4 7743 B11R1.235 CCC(C)COCC1CC1C 7a_100000744939_100000748023 [0,0,0,1,0,0|2,0,1]=4 7744 B11R1.235 CCC(O)COCC1CC1C 34a_100000744939_100011218378 [0,0,0,1,0,0|1,0,2]=4 7745 B11R1.235 CCC(O)COCC1CC1C 7a_100000744939_100011218378 [0,0,0,1,0,0|1,0,2]=4 7746 B11R1.235 CC[C@H](C)COCC1CC1C 34a_100000744939_100009816398 [0,0,0,1,0,0|2,0,1]=4 7747 B11R1.235 CC[C@H](C)COCC1CC1C 7a_100000744939_100009816398 [0,0,0,1,0,0|2,0,1]=4 7748 B11R1.235 CNC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000737683 [0,0,0,1,0,0|3,0,0]=4 7749 B11R1.235 CNC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000737683 [0,0,0,1,0,0|3,0,0]=4 7750 B11R1.235 CNC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100012179268 [0,0,0,1,0,0|3,0,0]=4 7751 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [0,0,0,1,0,0|2,0,0]=3 7752 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [0,0,0,1,0,0|2,0,0]=3 7753 B11R1.235 COC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204255 [0,0,0,1,0,0|3,0,0]=4 7754 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204255 [0,0,0,1,0,0|3,0,0]=4 7755 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000742370 [0,0,0,1,0,0|3,0,0]=4 7756 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [0,0,0,1,0,0|2,0,0]=3 7757 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [0,0,0,1,0,0|2,0,0]=3 7758 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [0,0,0,1,0,0|1,0,0]=2 7759 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [0,0,0,1,0,0|2,0,0]=3 7760 B11R1.236 CCC(=O)COCC1COC1 34a_100000725409_100010264016 [0,0,0,1,0,0|2,0,0]=3 7761 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [0,0,0,1,0,0|1,0,0]=2 7762 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [0,0,0,1,0,0|1,0,0]=2 7763 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000103362_100000747405 [0,0,0,1,0,0|2,0,0]=3 7764 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000747405_100000103362 [0,0,0,1,0,0|2,0,0]=3 7765 B11R1.236 CCC(=O)CSCC1COC1 62a_100000747405_100010264016 [0,0,0,1,0,0|2,0,0]=3 7766 B11R1.236 CCC(=O)CSCC1COC1 62a_100010264016_100000747405 [0,0,0,1,0,0|2,0,0]=3 7767 B11R1.236 CCC(=O)NCCN1CCC1 240690a_100000691440_100000210414 [0,0,0,1,0,0|2,0,0]=3 7768 B11R1.236 CCC(=O)NN=CC1CCC1 4a_100000183195_100000753134 [0,0,0,1,0,0|2,0,1]=4 7769 B11R1.236 CCC(=O)NNCC1CCC1 22a_200020586977_100000210414 [0,0,0,1,0,0|2,0,0]=3 7770 B11R1.236 CCC(C)CCNC1CCC1 270004a_100020591266_100000241760 [0,0,0,1,0,0|2,0,1]=4 7771 B11R1.236 CCC(C)CNCC1CCC1 2230a_100000738700_100000748023 [0,0,0,1,0,0|2,0,1]=4 7772 B11R1.236 CCC(C)CNCC1CCC1 2230a_100020588543_100000763275 [0,0,0,1,0,0|2,0,1]=4 7773 B11R1.236 CCC(C)CNCC1CCC1 269862a_100020588543_100000753134 [0,0,0,1,0,0|2,0,1]=4 7774 B11R1.236 CCC(C)CNCC1CCC1 270004a_100000738700_100000243153 [0,0,0,1,0,0|2,0,1]=4 7775 B11R1.236 CCC(C)CNCC1CCC1 34a_100000738700_100000748023 [0,0,0,1,0,0|2,0,1]=4 7776 B11R1.236 CCC(C)COCC1CCC1 34a_100000760304_100000748023 [0,0,0,1,0,0|2,0,1]=4 7777 B11R1.236 CCC(C)CSCC1CCC1 62a_100000748023_100000763275 [0,0,0,1,0,0|2,0,1]=4 7778 B11R1.236 CCC(C)CSCC1CCC1 62a_100000763275_100000748023 [0,0,0,1,0,0|2,0,1]=4 7779 B11R1.236 CCC(O)CNCC1CCC1 2230a_100000738700_100011218378 [0,0,0,1,0,0|1,0,2]=4 7780 B11R1.236 CCC(O)CNCC1CCC1 2230a_100011218483_100000763275 [0,0,0,1,0,0|1,0,2]=4 7781 B11R1.236 CCC(O)CNCC1CCC1 269862a_100011218483_100000753134 [0,0,0,1,0,0|1,0,2]=4 7782 B11R1.236 CCC(O)CNCC1CCC1 34a_100000738700_100011218378 [0,0,0,1,0,0|1,0,2]=4 7783 B11R1.236 CCC(O)COCC1CCC1 34a_100000760304_100011218378 [0,0,0,1,0,0|1,0,2]=4 7784 B11R1.236 CCC(O)CSCC1CCC1 62a_100000763275_100011218378 [0,0,0,1,0,0|1,0,2]=4 7785 B11R1.236 CCC(O)CSCC1CCC1 62a_100011218378_100000763275 [0,0,0,1,0,0|1,0,2]=4 7786 B11R1.236 CCN(C)CCCN1CCC1 269982a_100000754969_100015186262 [0,0,0,1,0,0|3,0,0]=4 7787 B11R1.236 CC[C@H](C)CNCC1CCC1 2230a_100000738700_100009816398 [0,0,0,1,0,0|2,0,1]=4 7788 B11R1.236 CC[C@H](C)CNCC1CCC1 34a_100000738700_100009816398 [0,0,0,1,0,0|2,0,1]=4 7789 B11R1.236 CC[C@H](C)COCC1CCC1 34a_100000760304_100009816398 [0,0,0,1,0,0|2,0,1]=4 7790 B11R1.236 CC[C@H](C)COCC1CCC1 7a_100009816381_100000763275 [0,0,0,1,0,0|2,0,1]=4 7791 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100000763275_100009816398 [0,0,0,1,0,0|2,0,1]=4 7792 B11R1.236 CC[C@H](C)CSCC1CCC1 62a_100009816398_100000763275 [0,0,0,1,0,0|2,0,1]=4 7793 B11R1.236 CNC(=O)CCCN1CCC1 269982a_100000754969_100000741757 [0,0,0,1,0,0|2,0,0]=3 7794 B11R1.236 CNC(=O)CCNC1CCC1 2230a_100000749019_100000737683 [0,0,0,1,0,0|2,0,0]=3 7795 B11R1.236 CNC(=O)CCNC1CCC1 270004a_100000738227_100000241760 [0,0,0,1,0,0|2,0,0]=3 7796 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000738227_100000749161 [0,0,0,1,0,0|2,0,0]=3 7797 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000749019_100012179268 [0,0,0,1,0,0|2,0,0]=3 7798 B11R1.236 CNC(=O)CCNC1COC1 2230a_100016991112_100000737683 [0,0,0,1,0,0|3,0,0]=4 7799 B11R1.236 CNC(=O)CCNC1COC1 34a_100000738227_100009818527 [0,0,0,1,0,0|3,0,0]=4 7800 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000748187_100012179268 [0,0,0,1,0,0|2,0,0]=3 7801 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000754576_100000749161 [0,0,0,1,0,0|2,0,0]=3 7802 B11R1.236 CNC(=O)CCOC1COC1 34a_100000754576_100009818527 [0,0,0,1,0,0|3,0,0]=4 7803 B11R1.236 CNC(=O)CCOC1CSC1 7a_100000072292_100000737683 [0,0,0,1,0,0|3,0,0]=4 7804 B11R1.236 CNC(=O)CCSC1CCC1 62a_100000737683_100000749161 [0,0,0,1,0,0|2,0,0]=3 7805 B11R1.236 CNC(=O)CCSC1COC1 62a_100000737683_100009818527 [0,0,0,1,0,0|3,0,0]=4 7806 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000693194_100000763275 [0,0,0,1,0,0|2,0,0]=3 7807 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000738700_100000183359 [0,0,0,1,0,0|2,0,0]=3 7808 B11R1.236 CNC(=O)CNCC1CCC1 269862a_100000693194_100000753134 [0,0,0,1,0,0|2,0,0]=3 7809 B11R1.236 CNC(=O)CNCC1CCC1 34a_100000738700_100000183359 [0,0,0,1,0,0|2,0,0]=3 7810 B11R1.236 CNC(=O)CNCC1CCO1 2230a_100000693194_100000103362 [0,0,0,1,0,0|3,0,0]=4 7811 B11R1.236 CNC(=O)CNCC1COC1 2230a_100000693194_100010264016 [0,0,0,1,0,0|3,0,0]=4 7812 B11R1.236 CNC(=O)CNCC1COC1 2230a_100015281925_100000183359 [0,0,0,1,0,0|3,0,0]=4 7813 B11R1.236 CNC(=O)CNCC1COC1 34a_100015281925_100000183359 [0,0,0,1,0,0|3,0,0]=4 7814 B11R1.236 CNC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000183359 [0,0,0,1,0,0|3,0,0]=4 7815 B11R1.236 CNC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000183359 [0,0,0,1,0,0|3,0,0]=4 7816 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [0,0,0,1,0,0|2,0,0]=3 7817 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [0,0,0,1,0,0|2,0,0]=3 7818 B11R1.236 CNC(=O)COCC1CCO1 34a_100000039022_100000183359 [0,0,0,1,0,0|3,0,0]=4 7819 B11R1.236 CNC(=O)COCC1CCO1 34a_100000750040_100000103362 [0,0,0,1,0,0|3,0,0]=4 7820 B11R1.236 CNC(=O)COCC1CNC1 34a_100016987283_100000183359 [0,0,0,1,0,0|3,0,0]=4 7821 B11R1.236 CNC(=O)COCC1COC1 34a_100000060846_100000183359 [0,0,0,1,0,0|3,0,0]=4 7822 B11R1.236 CNC(=O)COCC1COC1 34a_100000750040_100010264016 [0,0,0,1,0,0|3,0,0]=4 7823 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000183359_100000763275 [0,0,0,1,0,0|2,0,0]=3 7824 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000763275_100000183359 [0,0,0,1,0,0|2,0,0]=3 7825 B11R1.236 CNC(=O)CSCC1CCO1 62a_100000103362_100000183359 [0,0,0,1,0,0|3,0,0]=4 7826 B11R1.236 CNC(=O)CSCC1CCO1 62a_100000183359_100000103362 [0,0,0,1,0,0|3,0,0]=4 7827 B11R1.236 CNC(=O)CSCC1COC1 62a_100000183359_100010264016 [0,0,0,1,0,0|3,0,0]=4 7828 B11R1.236 CNC(=O)CSCC1COC1 62a_100010264016_100000183359 [0,0,0,1,0,0|3,0,0]=4 7829 B11R1.236 CNC(=O)NCCN1CCC1 2708a_100000691440_106832991635 [0,0,0,1,0,0|3,0,0]=4 7830 B11R1.236 CNC(=O)NCCN1CCC1 2708a_100102657272_100000691440 [0,0,0,1,0,0|3,0,0]=4 7831 B11R1.236 CNC(=O)NCCN1CCC1 273464a_100000691440_100102657272 [0,0,0,1,0,0|3,0,0]=4 7832 B11R1.236 CNC(=O)NCCN1CCC1 273464a_100102657272_100000691440 [0,0,0,1,0,0|3,0,0]=4 7833 B11R1.236 CNC(=O)NCCN1CCC1 512a_106832991638_100000691440 [0,0,0,1,0,0|3,0,0]=4 7834 B11R1.236 CNC(=O)NNCC1CCC1 273464a_100102657272_200020586977 [0,0,0,1,0,0|3,0,0]=4 7835 B11R1.236 CNC(=O)NNCC1CCC1 512a_106832991638_200020586977 [0,0,0,1,0,0|3,0,0]=4 7836 B11R1.236 CNC(=O)NNCC1CCC1 512a_200020586977_100102657272 [0,0,0,1,0,0|3,0,0]=4 7837 B11R1.236 CNC(=O)OCCN1CCC1 269982a_100000754969_200011997002 [0,0,0,1,0,0|3,0,0]=4 7838 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [0,0,0,1,0,0|2,0,0]=3 7839 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [0,0,0,1,0,0|2,0,0]=3 7840 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [0,0,0,1,0,0|2,0,0]=3 7841 B11R1.236 COC(=O)CCNC1COC1 2230a_100016991112_100000204255 [0,0,0,1,0,0|3,0,0]=4 7842 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [0,0,0,1,0,0|2,0,0]=3 7843 B11R1.236 COC(=O)CCOC1CSC1 7a_100000072292_100000204255 [0,0,0,1,0,0|3,0,0]=4 7844 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [0,0,0,1,0,0|2,0,0]=3 7845 B11R1.236 COC(=O)CCSC1COC1 62a_100000204255_100009818527 [0,0,0,1,0,0|3,0,0]=4 7846 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [0,0,0,1,0,0|2,0,0]=3 7847 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [0,0,0,1,0,0|2,0,0]=3 7848 B11R1.236 COC(=O)CNCC1COC1 2230a_100015281925_100000747449 [0,0,0,1,0,0|3,0,0]=4 7849 B11R1.236 COC(=O)CNCC1COC1 34a_100015281925_100000747449 [0,0,0,1,0,0|3,0,0]=4 7850 B11R1.236 COC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747449 [0,0,0,1,0,0|3,0,0]=4 7851 B11R1.236 COC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000747449 [0,0,0,1,0,0|3,0,0]=4 7852 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [0,0,0,1,0,0|2,0,0]=3 7853 B11R1.236 COC(=O)COCC1CCO1 34a_100000039022_100000747449 [0,0,0,1,0,0|3,0,0]=4 7854 B11R1.236 COC(=O)COCC1CNC1 34a_100016987283_100000747449 [0,0,0,1,0,0|3,0,0]=4 7855 B11R1.236 COC(=O)COCC1COC1 34a_100000060846_100000747449 [0,0,0,1,0,0|3,0,0]=4 7856 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [0,0,0,1,0,0|2,0,0]=3 7857 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [0,0,0,1,0,0|2,0,0]=3 7858 B11R1.236 COC(=O)CSCC1CCO1 62a_100000103362_100000747449 [0,0,0,1,0,0|3,0,0]=4 7859 B11R1.236 COC(=O)CSCC1CCO1 62a_100000747449_100000103362 [0,0,0,1,0,0|3,0,0]=4 7860 B11R1.236 COC(=O)CSCC1COC1 62a_100000747449_100010264016 [0,0,0,1,0,0|3,0,0]=4 7861 B11R1.236 COC(=O)CSCC1COC1 62a_100010264016_100000747449 [0,0,0,1,0,0|3,0,0]=4 7862 B11R1.236 O=C(CO)NCCN1CCC1 240690a_100000691440_100000210174 [0,0,0,1,0,0|3,0,0]=4 7863 B11R1.236 O=C(CO)NNCC1CCC1 22a_200020586977_100000210174 [0,0,0,1,0,0|3,0,0]=4 7864 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [0,0,0,1,0,0|1,0,0]=2 7865 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [0,0,0,1,0,0|1,0,0]=2 7866 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [0,0,0,1,0,0|2,0,0]=3 7867 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [0,0,0,1,0,0|1,0,0]=2 7868 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [0,0,0,1,0,0|1,0,0]=2 7869 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [0,0,0,1,0,0|2,0,0]=3 7870 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [0,0,0,1,0,0|2,0,0]=3 7871 B11R1.237 CCC(=O)NCCNC1CC1 34a_100132302217_100000211595 [0,0,0,1,0,0|2,0,0]=3 7872 B11R1.237 CCC(=O)NCCOC1CC1 34a_200000158885_100000211595 [0,0,0,1,0,0|2,0,0]=3 7873 B11R1.237 CCC(C)CCNCC1CC1 2230a_100020591266_100000742324 [0,0,0,1,0,0|2,0,1]=4 7874 B11R1.237 CCC(C)CCNCC1CC1 269862a_100020591266_100000741477 [0,0,0,1,0,0|2,0,1]=4 7875 B11R1.237 CCC(C)CCOCC1CC1 7a_100011215188_100000742324 [0,0,0,1,0,0|2,0,1]=4 7876 B11R1.237 CCC(C)CNCCC1CC1 2230a_100020588543_100000694398 [0,0,0,1,0,0|2,0,1]=4 7877 B11R1.237 CCC(C)CNCCC1CC1 270004a_100000764129_100000243153 [0,0,0,1,0,0|2,0,1]=4 7878 B11R1.237 CCC(C)CNCCC1CC1 34a_100000764129_100000748023 [0,0,0,1,0,0|2,0,1]=4 7879 B11R1.237 CCC(C)COCCC1CC1 34a_100000754188_100000748023 [0,0,0,1,0,0|2,0,1]=4 7880 B11R1.237 CCC(C)COCCC1CC1 7a_100000754188_100000748023 [0,0,0,1,0,0|2,0,1]=4 7881 B11R1.237 CCC(C)CSCCC1CC1 62a_100000748023_100000764125 [0,0,0,1,0,0|2,0,1]=4 7882 B11R1.237 CCC(C)CSCCC1CC1 62a_100000764125_100000748023 [0,0,0,1,0,0|2,0,1]=4 7883 B11R1.237 CCC(O)CNCCC1CC1 2230a_100011218483_100000694398 [0,0,0,1,0,0|1,0,2]=4 7884 B11R1.237 CCC(O)CNCCC1CC1 34a_100000764129_100011218378 [0,0,0,1,0,0|1,0,2]=4 7885 B11R1.237 CCC(O)COCCC1CC1 34a_100000754188_100011218378 [0,0,0,1,0,0|1,0,2]=4 7886 B11R1.237 CCC(O)COCCC1CC1 7a_100000754188_100011218378 [0,0,0,1,0,0|1,0,2]=4 7887 B11R1.237 CCC(O)CSCCC1CC1 62a_100000764125_100011218378 [0,0,0,1,0,0|1,0,2]=4 7888 B11R1.237 CCC(O)CSCCC1CC1 62a_100011218378_100000764125 [0,0,0,1,0,0|1,0,2]=4 7889 B11R1.237 CC[C@H](C)CNCCC1CC1 34a_100000764129_100009816398 [0,0,0,1,0,0|2,0,1]=4 7890 B11R1.237 CC[C@H](C)COCCC1CC1 34a_100000754188_100009816398 [0,0,0,1,0,0|2,0,1]=4 7891 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100000754188_100009816398 [0,0,0,1,0,0|2,0,1]=4 7892 B11R1.237 CC[C@H](C)COCCC1CC1 7a_100009816381_100000764125 [0,0,0,1,0,0|2,0,1]=4 7893 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100000764125_100009816398 [0,0,0,1,0,0|2,0,1]=4 7894 B11R1.237 CC[C@H](C)CSCCC1CC1 62a_100009816398_100000764125 [0,0,0,1,0,0|2,0,1]=4 7895 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000212008_100000741757 [0,0,0,1,0,0|2,0,0]=3 7896 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000740002_100000211595 [0,0,0,1,0,0|2,0,0]=3 7897 B11R1.237 CNC(=O)CCCSC1CC1 62a_100000741757_100000211595 [0,0,0,1,0,0|2,0,0]=3 7898 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000735609_100000737683 [0,0,0,1,0,0|2,0,0]=3 7899 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000738227_100000742324 [0,0,0,1,0,0|2,0,0]=3 7900 B11R1.237 CNC(=O)CCNCC1CC1 269862a_100000738227_100000741477 [0,0,0,1,0,0|2,0,0]=3 7901 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000735609_100012179268 [0,0,0,1,0,0|2,0,0]=3 7902 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000738227_100000742324 [0,0,0,1,0,0|2,0,0]=3 7903 B11R1.237 CNC(=O)CCNCC1CO1 2230a_100000738227_100011216344 [0,0,0,1,0,0|3,0,0]=4 7904 B11R1.237 CNC(=O)CCNCC1CO1 34a_100000738227_102125554688 [0,0,0,1,0,0|3,0,0]=4 7905 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [0,0,0,1,0,0|2,0,0]=3 7906 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [0,0,0,1,0,0|2,0,0]=3 7907 B11R1.237 CNC(=O)CCOCC1CO1 34a_100000754576_102125554688 [0,0,0,1,0,0|3,0,0]=4 7908 B11R1.237 CNC(=O)CCOC[C@@H]1CO1 34a_100000757423_100012179268 [0,0,0,1,0,0|3,0,0]=4 7909 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000737683_100000742324 [0,0,0,1,0,0|2,0,0]=3 7910 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000756562_100000737683 [0,0,0,1,0,0|2,0,0]=3 7911 B11R1.237 CNC(=O)CCSCC1CO1 62a_100000737683_102125554688 [0,0,0,1,0,0|3,0,0]=4 7912 B11R1.237 CNC(=O)CCSCC1CO1 62a_102125554688_100000737683 [0,0,0,1,0,0|3,0,0]=4 7913 B11R1.237 CNC(=O)CCSCC1CS1 62a_100000031435_100000737683 [0,0,0,1,0,0|3,0,0]=4 7914 B11R1.237 CNC(=O)CCSCC1CS1 62a_100000737683_100000031435 [0,0,0,1,0,0|3,0,0]=4 7915 B11R1.237 CNC(=O)CCSC[C@@H]1CO1 62a_100000737683_100000745022 [0,0,0,1,0,0|3,0,0]=4 7916 B11R1.237 CNC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000737683 [0,0,0,1,0,0|3,0,0]=4 7917 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [0,0,0,1,0,0|2,0,0]=3 7918 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [0,0,0,1,0,0|2,0,0]=3 7919 B11R1.237 CNC(=O)CNCCC1CO1 2230a_100000693194_100000732470 [0,0,0,1,0,0|3,0,0]=4 7920 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [0,0,0,1,0,0|2,0,0]=3 7921 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [0,0,0,1,0,0|2,0,0]=3 7922 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [0,0,0,1,0,0|2,0,0]=3 7923 B11R1.237 CNC(=O)COCCC1CO1 34a_100000750040_100000732470 [0,0,0,1,0,0|3,0,0]=4 7924 B11R1.237 CNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183359 [0,0,0,1,0,0|3,0,0]=4 7925 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [0,0,0,1,0,0|2,0,0]=3 7926 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [0,0,0,1,0,0|2,0,0]=3 7927 B11R1.237 CNC(=O)CSCCC1CO1 62a_100000183359_100000732470 [0,0,0,1,0,0|3,0,0]=4 7928 B11R1.237 CNC(=O)CSCCC1CO1 62a_100000732470_100000183359 [0,0,0,1,0,0|3,0,0]=4 7929 B11R1.237 CNC(=O)NCCNC1CC1 34a_100015205895_100000211595 [0,0,0,1,0,0|3,0,0]=4 7930 B11R1.237 CNC(=O)OCCNC1CC1 34a_100000212008_200011997002 [0,0,0,1,0,0|3,0,0]=4 7931 B11R1.237 CNC(=O)OCCSC1CC1 62a_200011997002_100000211595 [0,0,0,1,0,0|3,0,0]=4 7932 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [0,0,0,1,0,0|2,0,0]=3 7933 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [0,0,0,1,0,0|2,0,0]=3 7934 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [0,0,0,1,0,0|2,0,0]=3 7935 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [0,0,0,1,0,0|2,0,0]=3 7936 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [0,0,0,1,0,0|2,0,0]=3 7937 B11R1.237 COC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000742370 [0,0,0,1,0,0|3,0,0]=4 7938 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [0,0,0,1,0,0|2,0,0]=3 7939 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [0,0,0,1,0,0|2,0,0]=3 7940 B11R1.237 COC(=O)CCSCC1CO1 62a_100000204255_102125554688 [0,0,0,1,0,0|3,0,0]=4 7941 B11R1.237 COC(=O)CCSCC1CO1 62a_102125554688_100000204255 [0,0,0,1,0,0|3,0,0]=4 7942 B11R1.237 COC(=O)CCSCC1CS1 62a_100000031435_100000204255 [0,0,0,1,0,0|3,0,0]=4 7943 B11R1.237 COC(=O)CCSCC1CS1 62a_100000204255_100000031435 [0,0,0,1,0,0|3,0,0]=4 7944 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000204255_100000745022 [0,0,0,1,0,0|3,0,0]=4 7945 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000204255 [0,0,0,1,0,0|3,0,0]=4 7946 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [0,0,0,1,0,0|2,0,0]=3 7947 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [0,0,0,1,0,0|2,0,0]=3 7948 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [0,0,0,1,0,0|2,0,0]=3 7949 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [0,0,0,1,0,0|3,0,0]=4 7950 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [0,0,0,1,0,0|2,0,0]=3 7951 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [0,0,0,1,0,0|2,0,0]=3 7952 B11R1.237 COC(=O)CSCCC1CO1 62a_100000732470_100000747449 [0,0,0,1,0,0|3,0,0]=4 7953 B11R1.237 COC(=O)CSCCC1CO1 62a_100000747449_100000732470 [0,0,0,1,0,0|3,0,0]=4 7954 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [0,0,0,1,0,0|3,0,0]=4 7955 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [0,0,0,1,0,0|3,0,0]=4 7956 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [0,0,0,1,0,0|3,0,0]=4 7957 B11R1.237 NNC(=O)CCCOC1CC1 34a_100000211488_100000211595 [0,0,0,1,0,0|3,0,0]=4 7958 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [0,0,0,1,0,0|2,0,0]=3 7959 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [0,0,0,1,0,0|2,0,0]=3 7960 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [0,0,0,1,0,0|2,0,0]=3 7961 B11R1.248 CNC1CCCCCCCC1 270004a_106832991635_100000038600 [0,0,0,1,0,0|2,0,1]=4 7962 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [0,0,0,1,0,0|3,0,0]=4 7963 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [0,0,0,1,0,0|3,0,0]=4 7964 B11R1.320 CCCCCCNC1(CC1)C 2230a_100000757604_100000210314 [0,0,0,1,0,0|2,0,1]=4 7965 B11R1.320 CCCCCCOC1(CC1)C 7a_100011725673_100000210314 [0,0,0,1,0,0|2,0,1]=4 7966 B11R1.320 CCCCCNCC1(CC1)C 2230a_100000766693_100000210326 [0,0,0,1,0,0|2,0,1]=4 7967 B11R1.320 CCCCCNCC1(CC1)O 2230a_100011936951_100000210326 [0,0,0,1,0,0|1,0,2]=4 7968 B11R1.320 CCCCCOCC1(CC1)C 7a_100000698024_100000210326 [0,0,0,1,0,0|2,0,1]=4 7969 B11R1.320 CCCCCOCC1(CC1)F 34a_200000703853_100000718602 [0,0,0,1,0,0|2,0,1]=4 7970 B11R1.320 CCCCCOCC1(CC1)F 7a_200000703853_100000210326 [0,0,0,1,0,0|2,0,1]=4 7971 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210326 [0,0,0,1,0,0|1,0,2]=4 7972 B11R1.757 CCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210215 [0,0,0,1,0,0|1,0,2]=4 7973 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [0,0,0,1,0,0|2,0,1]=4 7974 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [0,0,0,1,0,0|2,0,1]=4 7975 B11R1.759 CCCCNC1CN(C1)CC 2230a_200015199589_100000210211 [0,0,0,1,0,0|3,0,0]=4 7976 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,0,0,1,0,0|0,0,2]=3 7977 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,0,0,1,0,0|0,0,2]=3 7978 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,0,0,1,0,0|1,0,2]=4 7979 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,0,0,1,0,0|1,0,2]=4 7980 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [0,0,0,1,0,0|0,0,2]=3 7981 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,0,0,1,0,0|0,0,0]=1 7982 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,0,0,1,0,0|0,0,0]=1 7983 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,0,0,1,0,0|1,0,0]=2 7984 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,0,0,1,0,0|1,0,0]=2 7985 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,0,0,1,0,0|1,0,0]=2 7986 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,0,0,1,0,0|1,0,0]=2 7987 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [0,0,0,1,0,0|2,0,0]=3 7988 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [0,0,0,1,0,0|2,0,0]=3 7989 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [0,0,0,1,0,0|2,0,0]=3 7990 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [0,0,0,1,0,0|2,0,0]=3 7991 B11R1.852 CCC(C)N1CCCCCC1 2230a_100000185865_100000758301 [0,0,0,1,0,0|2,0,1]=4 7992 B11R1.852 CCC(C)N1CCCCCC1 269982a_100000185865_100000758301 [0,0,0,1,0,0|2,0,1]=4 7993 B11R1.852 CCC(C)N1CCCCCC1 34a_100000185865_100011215416 [0,0,0,1,0,0|2,0,1]=4 7994 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [0,0,0,1,0,0|2,0,0]=3 7995 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [0,0,0,1,0,0|2,0,0]=3 7996 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [0,0,0,1,0,0|2,0,0]=3 7997 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [0,0,0,1,0,0|2,0,0]=3 7998 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [0,0,0,1,0,0|2,0,0]=3 7999 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [0,0,0,1,0,0|2,0,0]=3 8000 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [0,0,0,1,0,0|2,0,0]=3 8001 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [0,0,0,1,0,0|2,0,0]=3 8002 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [0,0,0,1,0,0|2,0,0]=3 8003 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [0,0,0,1,0,0|2,0,0]=3 8004 B11R1.852 CN(CF)C1CCCCCC1 269982a_100015185097_100015361967 [0,0,0,1,0,0|3,0,0]=4 8005 B11R1.852 CN(CF)C1CCCCCC1 34a_100015185097_100015361967 [0,0,0,1,0,0|3,0,0]=4 8006 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [0,0,0,1,0,0|1,0,2]=4 8007 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 8008 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 8009 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [0,0,0,1,0,0|1,0,2]=4 8010 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,0,0,1,0,0|1,0,0]=2 8011 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 8012 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 8013 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,0,0,1,0,0|1,0,0]=2 8014 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,0,0,1,0,0|2,0,0]=3 8015 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,0,0,1,0,0|2,0,0]=3 8016 B11R1.852 CNC(=O)N1CCCOCC1 2708a_100102657272_100000685342 [0,0,0,1,0,0|3,0,0]=4 8017 B11R1.852 CNC(=O)N1CCCOCC1 273464a_100102657272_100000685342 [0,0,0,1,0,0|3,0,0]=4 8018 B11R1.852 O=C(CF)C1CCC=CCC1 1458a_100000048548_100015361967 [0,0,0,1,0,0|1,0,2]=4 8019 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,0,0,1,0,0|1,0,0]=2 8020 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,0,0,1,0,0|1,0,0]=2 8021 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,0,0,1,0,0|2,0,0]=3 8022 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,0,0,1,0,0|2,0,0]=3 8023 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,0,0,1,0,0|3,0,0]=4 8024 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,0,0,1,0,0|3,0,0]=4 8025 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|1,0,1]=4 8026 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|1,0,1]=4 8027 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 8028 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|1,0,1]=4 8029 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 8030 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|1,0,1]=4 8031 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|1,0,1]=4 8032 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 8033 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,1]=4 8034 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 8035 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 8036 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|1,0,1]=4 8037 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 8038 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 8039 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 8040 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,1]=4 8041 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,1]=4 8042 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,1]=4 8043 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,1]=4 8044 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 8045 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,1]=4 8046 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 8047 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 8048 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,1]=4 8049 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 8050 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,1]=4 8051 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,1]=4 8052 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 8053 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 8054 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,1]=4 8055 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 8056 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 8057 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,1]=4 8058 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,1]=4 8059 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,1]=4 8060 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,1]=4 8061 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,1]=4 8062 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 8063 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,1]=4 8064 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 8065 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,1]=4 8066 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,1]=4 8067 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 8068 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 8069 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 8070 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 8071 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 8072 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 8073 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 8074 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 8075 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 8076 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 8077 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 8078 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|1,0,1]=4 8079 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 8080 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|1,0,1]=4 8081 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 8082 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|1,0,1]=4 8083 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|1,0,1]=4 8084 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|1,0,1]=4 8085 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|1,0,1]=4 8086 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|1,0,1]=4 8087 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|1,0,1]=4 8088 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|1,0,1]=4 8089 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|1,0,1]=4 8090 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|1,0,1]=4 8091 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 8092 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 8093 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|1,0,1]=4 8094 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|1,0,1]=4 8095 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [2,0,0,0,0,0|2,0,0]=4 8096 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [2,0,0,0,0,0|2,0,0]=4 8097 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,0]=3 8098 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,0]=3 8099 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,0]=3 8100 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,0]=3 8101 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,0]=3 8102 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,0]=3 8103 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,0]=3 8104 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,0]=3 8105 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,0]=3 8106 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,0]=3 8107 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,0]=3 8108 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,0]=3 8109 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,0]=3 8110 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,0]=3 8111 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,0]=3 8112 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,0]=3 8113 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,0]=3 8114 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,0]=3 8115 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,0]=3 8116 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 8117 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 8118 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,0]=3 8119 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,0]=3 8120 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|2,0,0]=4 8121 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|2,0,0]=4 8122 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,0]=3 8123 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,0]=3 8124 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 8125 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 8126 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|2,0,0]=4 8127 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|2,0,0]=4 8128 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|2,0,0]=4 8129 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|2,0,0]=4 8130 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|2,0,0]=4 8131 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,0]=3 8132 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,0]=3 8133 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|2,0,0]=4 8134 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,0]=3 8135 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,0]=3 8136 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,0]=3 8137 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 8138 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 8139 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|2,0,0]=4 8140 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|2,0,0]=4 8141 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|2,0,0]=4 8142 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|2,0,0]=4 8143 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,0]=3 8144 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,0]=3 8145 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,0]=3 8146 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,0]=3 8147 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|2,0,0]=4 8148 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|2,0,0]=4 8149 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|2,0,0]=4 8150 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|2,0,0]=4 8151 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|2,0,0]=4 8152 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|2,0,0]=4 8153 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|2,0,0]=4 8154 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|2,0,0]=4 8155 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,0]=3 8156 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,0]=3 8157 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [2,0,0,0,0,0|2,0,0]=4 8158 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [2,0,0,0,0,0|2,0,0]=4 8159 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [2,0,0,0,0,0|2,0,0]=4 8160 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [2,0,0,0,0,0|2,0,0]=4 8161 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|2,0,0]=4 8162 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|2,0,0]=4 8163 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [2,0,0,0,0,0|2,0,0]=4 8164 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [2,0,0,0,0,0|2,0,0]=4 8165 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [2,0,0,0,0,0|2,0,0]=4 8166 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [2,0,0,0,0,0|2,0,0]=4 8167 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [2,0,0,0,0,0|2,0,0]=4 8168 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [2,0,0,0,0,0|2,0,0]=4 8169 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|2,0,0]=4 8170 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,0]=3 8171 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,0]=3 8172 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|2,0,0]=4 8173 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 8174 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|2,0,0]=4 8175 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 8176 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|2,0,0]=4 8177 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|2,0,0]=4 8178 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|2,0,0]=4 8179 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 8180 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|2,0,0]=4 8181 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 8182 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|2,0,0]=4 8183 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|2,0,0]=4 8184 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|2,0,0]=4 8185 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|2,0,0]=4 8186 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|2,0,0]=4 8187 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|2,0,0]=4 8188 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|2,0,0]=4 8189 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|2,0,0]=4 8190 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|2,0,0]=4 8191 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|2,0,0]=4 8192 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|2,0,0]=4 8193 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|2,0,0]=4 8194 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|2,0,0]=4 8195 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|2,0,0]=4 8196 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|2,0,0]=4 8197 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|2,0,0]=4 8198 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [2,0,0,0,0,0|2,0,0]=4 8199 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|2,0,0]=4 8200 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [2,0,0,0,0,0|2,0,0]=4 8201 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [2,0,0,0,0,0|2,0,0]=4 8202 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,0]=3 8203 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [2,0,0,0,0,0|2,0,0]=4 8204 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [2,0,0,0,0,0|2,0,0]=4 8205 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|2,0,0]=4 8206 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|2,0,0]=4 8207 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [2,0,0,0,0,0|2,0,0]=4 8208 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [2,0,0,0,0,0|2,0,0]=4 8209 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [2,0,0,0,0,0|2,0,0]=4 8210 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [2,0,0,0,0,0|2,0,0]=4 8211 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [2,0,0,0,0,0|2,0,0]=4 8212 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [2,0,0,0,0,0|2,0,0]=4 8213 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [2,0,0,0,0,0|2,0,0]=4 8214 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [2,0,0,0,0,0|2,0,0]=4 8215 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [2,0,0,0,0,0|2,0,0]=4 8216 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [2,0,0,0,0,0|2,0,0]=4 8217 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|2,0,0]=4 8218 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|2,0,0]=4 8219 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 8220 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 8221 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|2,0,0]=4 8222 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|2,0,0]=4 8223 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 8224 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|2,0,0]=4 8225 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [2,0,0,0,0,0|2,0,0]=4 8226 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|2,0,0]=4 8227 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 8228 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 8229 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|2,0,0]=4 8230 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 8231 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 8232 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|2,0,0]=4 8233 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 8234 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|2,0,0]=4 8235 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 8236 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 8237 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 8238 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 8239 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 8240 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|2,0,0]=4 8241 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|2,0,0]=4 8242 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|2,0,0]=4 8243 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|2,0,0]=4 8244 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [2,0,0,0,0,0|2,0,0]=4 8245 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 8246 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 8247 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|2,0,0]=4 8248 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|2,0,0]=4 8249 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|2,0,0]=4 8250 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|2,0,0]=4 8251 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|2,0,0]=4 8252 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|2,0,0]=4 8253 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [2,0,0,0,0,0|2,0,0]=4 8254 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [2,0,0,0,0,0|2,0,0]=4 8255 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [2,0,0,0,0,0|2,0,0]=4 8256 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [2,0,0,0,0,0|2,0,0]=4 8257 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [2,0,0,0,0,0|2,0,0]=4 8258 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,0]=3 8259 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,0]=3 8260 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|2,0,0]=4 8261 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|2,0,0]=4 8262 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|2,0,0]=4 8263 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 8264 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|2,0,0]=4 8265 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|2,0,0]=4 8266 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [2,0,0,0,0,0|2,0,0]=4 8267 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|2,0,0]=4 8268 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|2,0,0]=4 8269 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|2,0,0]=4 8270 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|2,0,0]=4 8271 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [2,0,0,0,0,0|2,0,0]=4 8272 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [2,0,0,0,0,0|2,0,0]=4 8273 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,0]=3 8274 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 8275 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 8276 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|2,0,0]=4 8277 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 8278 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [2,0,0,0,0,0|2,0,0]=4 8279 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|2,0,0]=4 8280 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|2,0,0]=4 8281 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|2,0,0]=4 8282 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 8283 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 8284 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 8285 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 8286 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|2,0,0]=4 8287 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 8288 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 8289 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 8290 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|2,0,0]=4 8291 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|2,0,0]=4 8292 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|2,0,0]=4 8293 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|2,0,0]=4 8294 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|2,0,0]=4 8295 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|2,0,0]=4 8296 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|2,0,0]=4 8297 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|2,0,0]=4 8298 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|2,0,0]=4 8299 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|2,0,0]=4 8300 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|2,0,0]=4 8301 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|2,0,0]=4 8302 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [2,0,0,0,0,0|2,0,0]=4 8303 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [2,0,0,0,0,0|2,0,0]=4 8304 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [2,0,0,0,0,0|2,0,0]=4 8305 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [2,0,0,0,0,0|2,0,0]=4 8306 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [2,0,0,0,0,0|2,0,0]=4 8307 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [2,0,0,0,0,0|2,0,0]=4 8308 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,0]=3 8309 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,0]=3 8310 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|2,0,0]=4 8311 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|2,0,0]=4 8312 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|2,0,0]=4 8313 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 8314 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [2,0,0,0,0,0|2,0,0]=4 8315 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [2,0,0,0,0,0|2,0,0]=4 8316 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [2,0,0,0,0,0|2,0,0]=4 8317 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [2,0,0,0,0,0|2,0,0]=4 8318 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [2,0,0,0,0,0|2,0,0]=4 8319 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [2,0,0,0,0,0|2,0,0]=4 8320 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [2,0,0,0,0,0|2,0,0]=4 8321 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 8322 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 8323 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 8324 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 8325 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 8326 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 8327 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|2,0,0]=4 8328 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 8329 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|2,0,0]=4 8330 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|2,0,0]=4 8331 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 8332 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|2,0,0]=4 8333 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|2,0,0]=4 8334 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|2,0,0]=4 8335 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [2,0,0,0,0,0|2,0,0]=4 8336 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 8337 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 8338 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 8339 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 8340 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 8341 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|2,0,0]=4 8342 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 8343 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 8344 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|2,0,0]=4 8345 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 8346 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|2,0,0]=4 8347 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [2,0,0,0,0,0|2,0,0]=4 8348 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [2,0,0,0,0,0|2,0,0]=4 8349 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [2,0,0,0,0,0|2,0,0]=4 8350 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [2,0,0,0,0,0|2,0,0]=4 8351 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [2,0,0,0,0,0|2,0,0]=4 8352 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [2,0,0,0,0,0|2,0,0]=4 8353 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,0]=3 8354 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,0]=3 8355 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|2,0,0]=4 8356 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|2,0,0]=4 8357 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 8358 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|2,0,0]=4 8359 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [2,0,0,0,0,0|2,0,0]=4 8360 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [2,0,0,0,0,0|2,0,0]=4 8361 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [2,0,0,0,0,0|2,0,0]=4 8362 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [2,0,0,0,0,0|2,0,0]=4 8363 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [2,0,0,0,0,0|2,0,0]=4 8364 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 8365 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [2,0,0,0,0,0|2,0,0]=4 8366 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [2,0,0,0,0,0|2,0,0]=4 8367 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|2,0,0]=4 8368 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [2,0,0,0,0,0|2,0,0]=4 8369 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [2,0,0,0,0,0|2,0,0]=4 8370 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|2,0,0]=4 8371 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|2,0,0]=4 8372 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [2,0,0,0,0,0|2,0,0]=4 8373 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 8374 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [2,0,0,0,0,0|2,0,0]=4 8375 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [2,0,0,0,0,0|2,0,0]=4 8376 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 8377 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [2,0,0,0,0,0|2,0,0]=4 8378 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [2,0,0,0,0,0|2,0,0]=4 8379 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [2,0,0,0,0,0|2,0,0]=4 8380 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [2,0,0,0,0,0|2,0,0]=4 8381 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [2,0,0,0,0,0|2,0,0]=4 8382 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 8383 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [2,0,0,0,0,0|2,0,0]=4 8384 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 8385 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 8386 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 8387 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 8388 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 8389 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 8390 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 8391 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 8392 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 8393 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,0]=3 8394 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,0]=3 8395 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|2,0,0]=4 8396 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|2,0,0]=4 8397 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 8398 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|2,0,0]=4 8399 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [2,0,0,0,0,0|0,0,2]=4 8400 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [2,0,0,0,0,0|0,0,2]=4 8401 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [2,0,0,0,0,0|0,0,2]=4 8402 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,0,0,0,0,0|2,0,0]=4 8403 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,0,0,0,0,0|2,0,0]=4 8404 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [2,0,0,0,0,0|2,0,0]=4 8405 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [2,0,0,0,0,0|2,0,0]=4 8406 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [2,0,0,0,0,0|2,0,0]=4 8407 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [2,0,0,0,0,0|2,0,0]=4 8408 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 8409 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [2,0,0,0,0,0|2,0,0]=4 8410 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 8411 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [2,0,0,0,0,0|2,0,0]=4 8412 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [2,0,0,0,0,0|2,0,0]=4 8413 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|0,0,2]=4 8414 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|0,0,2]=4 8415 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|0,0,2]=4 8416 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [2,0,0,0,0,0|1,0,1]=4 8417 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|1,0,0]=3 8418 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,0]=3 8419 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,0]=3 8420 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|1,0,0]=3 8421 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|1,0,0]=3 8422 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 8423 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 8424 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [2,0,0,0,0,0|2,0,0]=4 8425 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [2,0,0,0,0,0|2,0,0]=4 8426 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 8427 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 8428 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|2,0,0]=4 8429 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|2,0,0]=4 8430 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 8431 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 8432 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [2,0,0,0,0,0|2,0,0]=4 8433 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [2,0,0,0,0,0|2,0,0]=4 8434 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|2,0,0]=4 8435 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|2,0,0]=4 8436 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [2,0,0,0,0,0|2,0,0]=4 8437 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [2,0,0,0,0,0|2,0,0]=4 8438 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 8439 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 8440 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 8441 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [2,0,0,0,0,0|2,0,0]=4 8442 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|2,0,0]=4 8443 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|2,0,0]=4 8444 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [2,0,0,0,0,0|2,0,0]=4 8445 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [2,0,0,0,0,0|2,0,0]=4 8446 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|0,0,2]=4 8447 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|0,0,2]=4 8448 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|0,0,2]=4 8449 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|0,0,2]=4 8450 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|0,0,2]=4 8451 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,0]=2 8452 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,0]=2 8453 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,0]=2 8454 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|2,0,0]=4 8455 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 8456 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|2,0,0]=4 8457 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 8458 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 8459 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 8460 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 8461 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 8462 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 8463 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,0]=3 8464 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 8465 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 8466 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 8467 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|2,0,0]=4 8468 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [2,0,0,0,0,0|2,0,0]=4 8469 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|1,0,0]=3 8470 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|1,0,0]=3 8471 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|1,0,0]=3 8472 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 8473 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 8474 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|1,0,0]=3 8475 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|2,0,0]=4 8476 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|1,0,0]=3 8477 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 8478 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 8479 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|1,0,0]=3 8480 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|2,0,0]=4 8481 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|2,0,0]=4 8482 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,0]=3 8483 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 8484 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 8485 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 8486 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 8487 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 8488 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|2,0,0]=4 8489 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,0]=3 8490 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,0]=3 8491 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 8492 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 8493 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|2,0,0]=4 8494 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|2,0,0]=4 8495 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 8496 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [2,0,0,0,0,0|2,0,0]=4 8497 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 8498 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 8499 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,0]=3 8500 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 8501 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,0]=3 8502 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 8503 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 8504 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 8505 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 8506 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 8507 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 8508 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 8509 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|2,0,0]=4 8510 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|1,0,0]=3 8511 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|1,0,0]=3 8512 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 8513 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 8514 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 8515 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 8516 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 8517 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 8518 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 8519 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 8520 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|2,0,0]=4 8521 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|2,0,0]=4 8522 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,0]=3 8523 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,0]=3 8524 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|2,0,0]=4 8525 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 8526 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|2,0,0]=4 8527 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|2,0,0]=4 8528 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 8529 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|2,0,0]=4 8530 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 8531 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|1,0,0]=3 8532 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|1,0,0]=3 8533 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 8534 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 8535 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 8536 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 8537 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [2,0,0,0,0,0|2,0,0]=4 8538 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [2,0,0,0,0,0|2,0,0]=4 8539 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|2,0,0]=4 8540 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [2,0,0,0,0,0|2,0,0]=4 8541 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [2,0,0,0,0,0|2,0,0]=4 8542 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [2,0,0,0,0,0|2,0,0]=4 8543 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [2,0,0,0,0,0|2,0,0]=4 8544 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [2,0,0,0,0,0|2,0,0]=4 8545 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [2,0,0,0,0,0|2,0,0]=4 8546 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|1,0,0]=3 8547 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|1,0,0]=3 8548 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 8549 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 8550 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 8551 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [2,0,0,0,0,0|2,0,0]=4 8552 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|2,0,0]=4 8553 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|2,0,0]=4 8554 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [2,0,0,0,0,0|2,0,0]=4 8555 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [2,0,0,0,0,0|2,0,0]=4 8556 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [2,0,0,0,0,0|2,0,0]=4 8557 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [2,0,0,0,0,0|2,0,0]=4 8558 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [2,0,0,0,0,0|2,0,0]=4 8559 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [2,0,0,0,0,0|2,0,0]=4 8560 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,0]=3 8561 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|2,0,0]=4 8562 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|2,0,0]=4 8563 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 8564 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 8565 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|0,0,2]=4 8566 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [2,0,0,0,0,0|0,0,2]=4 8567 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [2,0,0,0,0,0|0,0,2]=4 8568 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|0,0,2]=4 8569 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [2,0,0,0,0,0|0,0,2]=4 8570 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [2,0,0,0,0,0|0,0,2]=4 8571 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [2,0,0,0,0,0|0,0,2]=4 8572 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [2,0,0,0,0,0|0,0,2]=4 8573 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [2,0,0,0,0,0|0,0,2]=4 8574 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [2,0,0,0,0,0|1,0,1]=4 8575 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [2,0,0,0,0,0|1,0,1]=4 8576 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,0]=3 8577 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,0]=3 8578 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,0]=3 8579 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|1,0,0]=3 8580 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|1,0,0]=3 8581 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|1,0,0]=3 8582 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [2,0,0,0,0,0|2,0,0]=4 8583 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [2,0,0,0,0,0|2,0,0]=4 8584 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [2,0,0,0,0,0|2,0,0]=4 8585 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [2,0,0,0,0,0|2,0,0]=4 8586 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [2,0,0,0,0,0|2,0,0]=4 8587 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [2,0,0,0,0,0|2,0,0]=4 8588 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [2,0,0,0,0,0|2,0,0]=4 8589 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [2,0,0,0,0,0|2,0,0]=4 8590 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [2,0,0,0,0,0|2,0,0]=4 8591 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [2,0,0,0,0,0|2,0,0]=4 8592 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [2,0,0,0,0,0|2,0,0]=4 8593 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [2,0,0,0,0,0|2,0,0]=4 8594 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 8595 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 8596 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 8597 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 8598 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 8599 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 8600 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [2,0,0,0,0,0|2,0,0]=4 8601 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [2,0,0,0,0,0|2,0,0]=4 8602 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 8603 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 8604 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 8605 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 8606 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 8607 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 8608 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 8609 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 8610 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 8611 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 8612 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 8613 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [2,0,0,0,0,0|2,0,0]=4 8614 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [2,0,0,0,0,0|2,0,0]=4 8615 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|0,0,2]=4 8616 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|0,0,2]=4 8617 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,0]=2 8618 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,0]=2 8619 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|1,0,0]=3 8620 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,0]=3 8621 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 8622 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 8623 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 8624 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 8625 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [2,0,0,0,0,0|2,0,0]=4 8626 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [2,0,0,0,0,0|2,0,0]=4 8627 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [2,0,0,0,0,0|2,0,0]=4 8628 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [2,0,0,0,0,0|2,0,0]=4 8629 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 8630 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 8631 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 8632 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 8633 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 8634 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 8635 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 8636 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 8637 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 8638 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 8639 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 8640 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 8641 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 8642 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 8643 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|1,0,0]=3 8644 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|1,0,0]=3 8645 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [2,0,0,0,0,0|2,0,0]=4 8646 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 8647 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 8648 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 8649 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 8650 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 8651 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 8652 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|2,0,0]=4 8653 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|1,0,0]=3 8654 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|1,0,0]=3 8655 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|1,0,0]=3 8656 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [2,0,0,0,0,0|2,0,0]=4 8657 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 8658 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 8659 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 8660 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 8661 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 8662 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 8663 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|2,0,0]=4 8664 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|2,0,0]=4 8665 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 8666 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 8667 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 8668 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|2,0,0]=4 8669 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|1,0,0]=3 8670 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|1,0,0]=3 8671 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|2,0,0]=4 8672 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|2,0,0]=4 8673 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 8674 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 8675 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 8676 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 8677 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 8678 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 8679 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|2,0,0]=4 8680 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|1,0,0]=3 8681 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|1,0,0]=3 8682 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [2,0,0,0,0,0|2,0,0]=4 8683 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [2,0,0,0,0,0|2,0,0]=4 8684 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 8685 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 8686 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 8687 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 8688 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 8689 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 8690 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|2,0,0]=4 8691 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|2,0,0]=4 8692 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 8693 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 8694 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 8695 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 8696 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 8697 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 8698 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 8699 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 8700 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 8701 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 8702 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 8703 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 8704 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 8705 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 8706 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 8707 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 8708 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 8709 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 8710 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 8711 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 8712 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 8713 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|2,0,0]=4 8714 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|2,0,0]=4 8715 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|2,0,0]=4 8716 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|2,0,0]=4 8717 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|2,0,0]=4 8718 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|2,0,0]=4 8719 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|2,0,0]=4 8720 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [2,0,0,0,0,0|2,0,0]=4 8721 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [2,0,0,0,0,0|2,0,0]=4 8722 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|2,0,0]=4 8723 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [2,0,0,0,0,0|2,0,0]=4 8724 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [2,0,0,0,0,0|2,0,0]=4 8725 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [2,0,0,0,0,0|2,0,0]=4 8726 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [2,0,0,0,0,0|2,0,0]=4 8727 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [1,1,0,0,0,0|2,0,0]=4 8728 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [1,1,0,0,0,0|2,0,0]=4 8729 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [1,1,0,0,0,0|2,0,0]=4 8730 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [1,1,0,0,0,0|2,0,0]=4 8731 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [1,1,0,0,0,0|2,0,0]=4 8732 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [1,1,0,0,0,0|2,0,0]=4 8733 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [1,1,0,0,0,0|2,0,0]=4 8734 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [1,1,0,0,0,0|2,0,0]=4 8735 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [1,1,0,0,0,0|2,0,0]=4 8736 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [1,1,0,0,0,0|2,0,0]=4 8737 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [1,1,0,0,0,0|2,0,0]=4 8738 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [1,1,0,0,0,0|2,0,0]=4 8739 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [1,1,0,0,0,0|1,0,1]=4 8740 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [1,1,0,0,0,0|2,0,0]=4 8741 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [1,1,0,0,0,0|2,0,0]=4 8742 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [1,1,0,0,0,0|2,0,0]=4 8743 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [1,1,0,0,0,0|2,0,0]=4 8744 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [1,1,0,0,0,0|2,0,0]=4 8745 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|0,0,1]=3 8746 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [1,1,0,0,0,0|1,0,1]=4 8747 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [1,1,0,0,0,0|1,0,1]=4 8748 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [1,1,0,0,0,0|1,0,1]=4 8749 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [1,1,0,0,0,0|1,0,1]=4 8750 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [1,1,0,0,0,0|1,0,1]=4 8751 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [1,1,0,0,0,0|2,0,0]=4 8752 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [1,1,0,0,0,0|2,0,0]=4 8753 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,1,0,0,0,0|1,0,0]=3 8754 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [1,1,0,0,0,0|2,0,0]=4 8755 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [1,1,0,0,0,0|2,0,0]=4 8756 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [1,1,0,0,0,0|2,0,0]=4 8757 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [1,1,0,0,0,0|2,0,0]=4 8758 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [1,1,0,0,0,0|2,0,0]=4 8759 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [1,1,0,0,0,0|2,0,0]=4 8760 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [1,1,0,0,0,0|2,0,0]=4 8761 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [1,1,0,0,0,0|2,0,0]=4 8762 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [1,1,0,0,0,0|1,0,0]=3 8763 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [1,1,0,0,0,0|1,0,0]=3 8764 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [1,1,0,0,0,0|1,0,0]=3 8765 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [1,1,0,0,0,0|2,0,0]=4 8766 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [1,1,0,0,0,0|2,0,0]=4 8767 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [1,1,0,0,0,0|2,0,0]=4 8768 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [1,1,0,0,0,0|2,0,0]=4 8769 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [1,1,0,0,0,0|2,0,0]=4 8770 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [1,1,0,0,0,0|1,0,0]=3 8771 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [1,1,0,0,0,0|1,0,0]=3 8772 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [1,1,0,0,0,0|2,0,0]=4 8773 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [1,1,0,0,0,0|2,0,0]=4 8774 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [1,1,0,0,0,0|2,0,0]=4 8775 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [1,1,0,0,0,0|2,0,0]=4 8776 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [1,1,0,0,0,0|1,0,0]=3 8777 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [1,1,0,0,0,0|2,0,0]=4 8778 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [1,1,0,0,0,0|2,0,0]=4 8779 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [1,1,0,0,0,0|2,0,0]=4 8780 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [1,1,0,0,0,0|2,0,0]=4 8781 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [1,1,0,0,0,0|2,0,0]=4 8782 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [1,1,0,0,0,0|2,0,0]=4 8783 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [1,1,0,0,0,0|2,0,0]=4 8784 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|1,0,1]=4 8785 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|1,0,1]=4 8786 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|1,0,1]=4 8787 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|1,0,1]=4 8788 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|1,0,1]=4 8789 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [1,1,0,0,0,0|2,0,0]=4 8790 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [1,1,0,0,0,0|1,0,1]=4 8791 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [1,1,0,0,0,0|2,0,0]=4 8792 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [1,1,0,0,0,0|2,0,0]=4 8793 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [1,1,0,0,0,0|2,0,0]=4 8794 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [1,1,0,0,0,0|2,0,0]=4 8795 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [1,1,0,0,0,0|2,0,0]=4 8796 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [1,1,0,0,0,0|1,0,1]=4 8797 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [1,1,0,0,0,0|0,0,1]=3 8798 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [1,1,0,0,0,0|0,0,1]=3 8799 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [1,1,0,0,0,0|0,0,1]=3 8800 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [1,1,0,0,0,0|0,0,2]=4 8801 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [1,1,0,0,0,0|0,0,2]=4 8802 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [1,1,0,0,0,0|0,0,2]=4 8803 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [1,1,0,0,0,0|0,0,2]=4 8804 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [1,1,0,0,0,0|0,0,2]=4 8805 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [1,1,0,0,0,0|0,0,2]=4 8806 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [1,1,0,0,0,0|0,0,2]=4 8807 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [1,1,0,0,0,0|0,0,2]=4 8808 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [1,1,0,0,0,0|0,0,2]=4 8809 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [1,1,0,0,0,0|0,0,2]=4 8810 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [1,1,0,0,0,0|0,0,2]=4 8811 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [1,1,0,0,0,0|0,0,2]=4 8812 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [1,1,0,0,0,0|0,0,2]=4 8813 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [1,1,0,0,0,0|0,0,2]=4 8814 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [1,1,0,0,0,0|0,0,2]=4 8815 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [1,1,0,0,0,0|0,0,2]=4 8816 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [1,1,0,0,0,0|0,0,2]=4 8817 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [1,1,0,0,0,0|0,0,2]=4 8818 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [1,1,0,0,0,0|0,0,2]=4 8819 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [1,1,0,0,0,0|0,0,2]=4 8820 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,1,0,0,0,0|1,0,1]=4 8821 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|1,0,0]=3 8822 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [1,1,0,0,0,0|2,0,0]=4 8823 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [1,1,0,0,0,0|2,0,0]=4 8824 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [1,1,0,0,0,0|2,0,0]=4 8825 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [1,1,0,0,0,0|2,0,0]=4 8826 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [1,1,0,0,0,0|2,0,0]=4 8827 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [1,1,0,0,0,0|2,0,0]=4 8828 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [1,1,0,0,0,0|2,0,0]=4 8829 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [1,1,0,0,0,0|2,0,0]=4 8830 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|1,0,0]=3 8831 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|1,0,0]=3 8832 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|1,0,0]=3 8833 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [1,1,0,0,0,0|2,0,0]=4 8834 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [1,1,0,0,0,0|2,0,0]=4 8835 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [1,1,0,0,0,0|2,0,0]=4 8836 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [1,1,0,0,0,0|2,0,0]=4 8837 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [1,1,0,0,0,0|2,0,0]=4 8838 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [1,1,0,0,0,0|2,0,0]=4 8839 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [1,1,0,0,0,0|2,0,0]=4 8840 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [1,1,0,0,0,0|2,0,0]=4 8841 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [1,1,0,0,0,0|2,0,0]=4 8842 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [1,1,0,0,0,0|2,0,0]=4 8843 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [1,1,0,0,0,0|2,0,0]=4 8844 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [1,1,0,0,0,0|2,0,0]=4 8845 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [1,1,0,0,0,0|2,0,0]=4 8846 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [1,1,0,0,0,0|2,0,0]=4 8847 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [1,1,0,0,0,0|2,0,0]=4 8848 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [1,1,0,0,0,0|2,0,0]=4 8849 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [1,1,0,0,0,0|2,0,0]=4 8850 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [1,1,0,0,0,0|2,0,0]=4 8851 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [1,1,0,0,0,0|2,0,0]=4 8852 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|1,0,0]=3 8853 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|1,0,0]=3 8854 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [1,1,0,0,0,0|2,0,0]=4 8855 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [1,1,0,0,0,0|2,0,0]=4 8856 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [1,1,0,0,0,0|2,0,0]=4 8857 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [1,1,0,0,0,0|2,0,0]=4 8858 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [1,1,0,0,0,0|2,0,0]=4 8859 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [1,1,0,0,0,0|2,0,0]=4 8860 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [1,1,0,0,0,0|2,0,0]=4 8861 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [1,1,0,0,0,0|2,0,0]=4 8862 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [1,1,0,0,0,0|2,0,0]=4 8863 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [1,1,0,0,0,0|2,0,0]=4 8864 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|1,0,0]=3 8865 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [1,1,0,0,0,0|2,0,0]=4 8866 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [1,1,0,0,0,0|2,0,0]=4 8867 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [1,1,0,0,0,0|2,0,0]=4 8868 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [1,1,0,0,0,0|2,0,0]=4 8869 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [1,1,0,0,0,0|2,0,0]=4 8870 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [1,1,0,0,0,0|2,0,0]=4 8871 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [1,1,0,0,0,0|2,0,0]=4 8872 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [1,1,0,0,0,0|2,0,0]=4 8873 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [1,1,0,0,0,0|2,0,0]=4 8874 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|1,0,0]=3 8875 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|1,0,0]=3 8876 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|1,0,0]=3 8877 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [1,1,0,0,0,0|2,0,0]=4 8878 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [1,1,0,0,0,0|2,0,0]=4 8879 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [1,1,0,0,0,0|2,0,0]=4 8880 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [1,1,0,0,0,0|2,0,0]=4 8881 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [1,1,0,0,0,0|2,0,0]=4 8882 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [1,1,0,0,0,0|2,0,0]=4 8883 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,1,0,0,0,0|2,0,0]=4 8884 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [1,1,0,0,0,0|2,0,0]=4 8885 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [1,1,0,0,0,0|2,0,0]=4 8886 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [1,1,0,0,0,0|2,0,0]=4 8887 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [1,1,0,0,0,0|2,0,0]=4 8888 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [1,1,0,0,0,0|2,0,0]=4 8889 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [1,1,0,0,0,0|2,0,0]=4 8890 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [1,1,0,0,0,0|2,0,0]=4 8891 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [1,1,0,0,0,0|2,0,0]=4 8892 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [1,1,0,0,0,0|2,0,0]=4 8893 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [1,1,0,0,0,0|2,0,0]=4 8894 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [1,1,0,0,0,0|2,0,0]=4 8895 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [1,1,0,0,0,0|2,0,0]=4 8896 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [1,1,0,0,0,0|2,0,0]=4 8897 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [1,1,0,0,0,0|2,0,0]=4 8898 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [1,1,0,0,0,0|2,0,0]=4 8899 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|1,0,0]=3 8900 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|1,0,0]=3 8901 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [1,1,0,0,0,0|2,0,0]=4 8902 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [1,1,0,0,0,0|2,0,0]=4 8903 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [1,1,0,0,0,0|2,0,0]=4 8904 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [1,1,0,0,0,0|2,0,0]=4 8905 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [1,1,0,0,0,0|2,0,0]=4 8906 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [1,1,0,0,0,0|2,0,0]=4 8907 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [1,1,0,0,0,0|2,0,0]=4 8908 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [1,1,0,0,0,0|2,0,0]=4 8909 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [1,1,0,0,0,0|2,0,0]=4 8910 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [1,1,0,0,0,0|2,0,0]=4 8911 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [1,1,0,0,0,0|2,0,0]=4 8912 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [1,1,0,0,0,0|2,0,0]=4 8913 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,1,0,0,0,0|1,0,1]=4 8914 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,1,0,0,0,0|1,0,1]=4 8915 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,1,0,0,0,0|1,0,1]=4 8916 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,1,0,0,0,0|1,0,1]=4 8917 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,1,0,0,0,0|1,0,1]=4 8918 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,1,0,0,0,0|1,0,1]=4 8919 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [1,1,0,0,0,0|0,0,1]=3 8920 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [1,1,0,0,0,0|0,0,1]=3 8921 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [1,1,0,0,0,0|0,0,1]=3 8922 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [1,1,0,0,0,0|0,0,2]=4 8923 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [1,1,0,0,0,0|0,0,2]=4 8924 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [1,1,0,0,0,0|0,0,2]=4 8925 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [1,1,0,0,0,0|0,0,2]=4 8926 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [1,1,0,0,0,0|0,0,2]=4 8927 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [1,1,0,0,0,0|0,0,2]=4 8928 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [1,1,0,0,0,0|0,0,2]=4 8929 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [1,1,0,0,0,0|0,0,2]=4 8930 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [1,1,0,0,0,0|0,0,2]=4 8931 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [1,1,0,0,0,0|0,0,2]=4 8932 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [1,1,0,0,0,0|0,0,2]=4 8933 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [1,1,0,0,0,0|0,0,2]=4 8934 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [1,1,0,0,0,0|0,0,2]=4 8935 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [1,1,0,0,0,0|0,0,2]=4 8936 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [1,1,0,0,0,0|0,0,2]=4 8937 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [1,1,0,0,0,0|0,0,2]=4 8938 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [1,1,0,0,0,0|0,0,2]=4 8939 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [1,1,0,0,0,0|0,0,2]=4 8940 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [1,1,0,0,0,0|0,0,2]=4 8941 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [1,1,0,0,0,0|0,0,2]=4 8942 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [1,1,0,0,0,0|0,0,1]=3 8943 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,1,0,0,0,0|0,0,0]=2 8944 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,1,0,0,0,0|0,0,0]=2 8945 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [1,1,0,0,0,0|2,0,0]=4 8946 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [1,1,0,0,0,0|1,0,0]=3 8947 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [1,1,0,0,0,0|1,0,0]=3 8948 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [1,1,0,0,0,0|1,0,0]=3 8949 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [1,1,0,0,0,0|1,0,0]=3 8950 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [1,1,0,0,0,0|1,0,1]=4 8951 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [1,1,0,0,0,0|1,0,1]=4 8952 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [1,1,0,0,0,0|1,0,1]=4 8953 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [1,1,0,0,0,0|1,0,1]=4 8954 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [1,1,0,0,0,0|1,0,0]=3 8955 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [1,1,0,0,0,0|1,0,0]=3 8956 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [1,1,0,0,0,0|1,0,0]=3 8957 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [1,1,0,0,0,0|1,0,0]=3 8958 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [1,1,0,0,0,0|1,0,0]=3 8959 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [1,1,0,0,0,0|1,0,1]=4 8960 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [1,1,0,0,0,0|1,0,0]=3 8961 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [1,1,0,0,0,0|1,0,0]=3 8962 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [1,1,0,0,0,0|1,0,0]=3 8963 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [1,1,0,0,0,0|1,0,0]=3 8964 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [1,1,0,0,0,0|1,0,0]=3 8965 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [1,1,0,0,0,0|1,0,0]=3 8966 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [1,1,0,0,0,0|1,0,0]=3 8967 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [1,1,0,0,0,0|1,0,0]=3 8968 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [1,1,0,0,0,0|2,0,0]=4 8969 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [1,1,0,0,0,0|1,0,1]=4 8970 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [1,1,0,0,0,0|1,0,1]=4 8971 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [1,1,0,0,0,0|1,0,0]=3 8972 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [1,1,0,0,0,0|1,0,0]=3 8973 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [1,1,0,0,0,0|1,0,0]=3 8974 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [1,1,0,0,0,0|1,0,0]=3 8975 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [1,1,0,0,0,0|1,0,1]=4 8976 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [1,1,0,0,0,0|1,0,1]=4 8977 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [1,1,0,0,0,0|1,0,0]=3 8978 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [1,1,0,0,0,0|1,0,0]=3 8979 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [1,1,0,0,0,0|1,0,0]=3 8980 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [1,1,0,0,0,0|1,0,0]=3 8981 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [1,1,0,0,0,0|1,0,0]=3 8982 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [1,1,0,0,0,0|1,0,0]=3 8983 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [1,1,0,0,0,0|1,0,1]=4 8984 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [1,1,0,0,0,0|1,0,1]=4 8985 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [1,1,0,0,0,0|1,0,1]=4 8986 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [1,1,0,0,0,0|1,0,1]=4 8987 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [1,1,0,0,0,0|1,0,0]=3 8988 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [1,1,0,0,0,0|1,0,0]=3 8989 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [1,1,0,0,0,0|1,0,0]=3 8990 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [1,1,0,0,0,0|1,0,0]=3 8991 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [1,1,0,0,0,0|1,0,0]=3 8992 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [1,1,0,0,0,0|1,0,0]=3 8993 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [1,1,0,0,0,0|2,0,0]=4 8994 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [1,1,0,0,0,0|2,0,0]=4 8995 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 8996 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 8997 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [1,1,0,0,0,0|1,0,1]=4 8998 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [1,1,0,0,0,0|1,0,1]=4 8999 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [1,1,0,0,0,0|1,0,0]=3 9000 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [1,1,0,0,0,0|1,0,0]=3 9001 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [1,1,0,0,0,0|1,0,0]=3 9002 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [1,1,0,0,0,0|1,0,0]=3 9003 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [1,1,0,0,0,0|2,0,0]=4 9004 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [1,1,0,0,0,0|2,0,0]=4 9005 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [1,1,0,0,0,0|2,0,0]=4 9006 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [1,1,0,0,0,0|2,0,0]=4 9007 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [1,1,0,0,0,0|2,0,0]=4 9008 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [1,1,0,0,0,0|2,0,0]=4 9009 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [1,1,0,0,0,0|2,0,0]=4 9010 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [1,1,0,0,0,0|2,0,0]=4 9011 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [1,1,0,0,0,0|2,0,0]=4 9012 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [1,1,0,0,0,0|2,0,0]=4 9013 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [1,1,0,0,0,0|2,0,0]=4 9014 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [1,1,0,0,0,0|2,0,0]=4 9015 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [1,1,0,0,0,0|2,0,0]=4 9016 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [1,1,0,0,0,0|2,0,0]=4 9017 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [1,1,0,0,0,0|1,0,0]=3 9018 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [1,1,0,0,0,0|1,0,0]=3 9019 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [1,1,0,0,0,0|2,0,0]=4 9020 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [1,1,0,0,0,0|2,0,0]=4 9021 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [1,1,0,0,0,0|2,0,0]=4 9022 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [1,1,0,0,0,0|2,0,0]=4 9023 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [1,1,0,0,0,0|2,0,0]=4 9024 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [1,1,0,0,0,0|2,0,0]=4 9025 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [1,1,0,0,0,0|2,0,0]=4 9026 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [1,1,0,0,0,0|2,0,0]=4 9027 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [1,1,0,0,0,0|2,0,0]=4 9028 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [1,1,0,0,0,0|2,0,0]=4 9029 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [1,1,0,0,0,0|2,0,0]=4 9030 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [1,1,0,0,0,0|2,0,0]=4 9031 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [1,1,0,0,0,0|2,0,0]=4 9032 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [1,1,0,0,0,0|2,0,0]=4 9033 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [1,1,0,0,0,0|2,0,0]=4 9034 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [1,1,0,0,0,0|2,0,0]=4 9035 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [1,1,0,0,0,0|2,0,0]=4 9036 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [1,1,0,0,0,0|2,0,0]=4 9037 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [1,1,0,0,0,0|2,0,0]=4 9038 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [1,1,0,0,0,0|2,0,0]=4 9039 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [1,1,0,0,0,0|2,0,0]=4 9040 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [1,1,0,0,0,0|2,0,0]=4 9041 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [1,1,0,0,0,0|2,0,0]=4 9042 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [1,1,0,0,0,0|2,0,0]=4 9043 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [1,1,0,0,0,0|2,0,0]=4 9044 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [1,1,0,0,0,0|2,0,0]=4 9045 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [1,1,0,0,0,0|2,0,0]=4 9046 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [1,1,0,0,0,0|2,0,0]=4 9047 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [1,1,0,0,0,0|2,0,0]=4 9048 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [1,1,0,0,0,0|2,0,0]=4 9049 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [1,1,0,0,0,0|2,0,0]=4 9050 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [1,1,0,0,0,0|2,0,0]=4 9051 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [1,1,0,0,0,0|2,0,0]=4 9052 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [1,1,0,0,0,0|2,0,0]=4 9053 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [1,1,0,0,0,0|2,0,0]=4 9054 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [1,1,0,0,0,0|2,0,0]=4 9055 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [1,1,0,0,0,0|2,0,0]=4 9056 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [1,1,0,0,0,0|2,0,0]=4 9057 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [1,1,0,0,0,0|2,0,0]=4 9058 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [1,1,0,0,0,0|2,0,0]=4 9059 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [1,1,0,0,0,0|2,0,0]=4 9060 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [1,1,0,0,0,0|2,0,0]=4 9061 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [1,1,0,0,0,0|2,0,0]=4 9062 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [1,1,0,0,0,0|2,0,0]=4 9063 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 9064 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [1,1,0,0,0,0|1,0,1]=4 9065 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [1,1,0,0,0,0|0,0,2]=4 9066 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [1,1,0,0,0,0|0,0,2]=4 9067 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [1,1,0,0,0,0|0,0,2]=4 9068 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [1,1,0,0,0,0|0,0,2]=4 9069 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [1,1,0,0,0,0|0,0,2]=4 9070 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [1,1,0,0,0,0|0,0,2]=4 9071 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [1,1,0,0,0,0|0,0,2]=4 9072 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [1,1,0,0,0,0|0,0,2]=4 9073 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [1,1,0,0,0,0|0,0,2]=4 9074 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [1,1,0,0,0,0|0,0,2]=4 9075 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [1,1,0,0,0,0|0,0,2]=4 9076 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [1,1,0,0,0,0|0,0,2]=4 9077 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [1,1,0,0,0,0|0,0,2]=4 9078 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|0,0,1]=3 9079 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|0,0,1]=3 9080 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [1,1,0,0,0,0|0,0,1]=3 9081 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [1,1,0,0,0,0|1,0,1]=4 9082 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|0,0,1]=3 9083 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|0,0,1]=3 9084 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,1,0,0,0,0|0,0,0]=2 9085 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,1,0,0,0,0|0,0,0]=2 9086 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,1,0,0,0,0|0,0,0]=2 9087 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [1,1,0,0,0,0|2,0,0]=4 9088 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [1,1,0,0,0,0|2,0,0]=4 9089 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [1,1,0,0,0,0|2,0,0]=4 9090 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [1,1,0,0,0,0|2,0,0]=4 9091 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [1,1,0,0,0,0|2,0,0]=4 9092 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [1,1,0,0,0,0|2,0,0]=4 9093 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,1,0,0,0,0|0,0,0]=2 9094 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,1,0,0,0,0|0,0,0]=2 9095 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,1,0,0,0,0|0,0,0]=2 9096 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,1,0,0,0,0|0,0,0]=2 9097 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,1]=4 9098 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,1]=4 9099 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,1]=4 9100 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 9101 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|1,0,1]=4 9102 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|1,0,1]=4 9103 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|1,0,1]=4 9104 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|1,0,1]=4 9105 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,1,0,0,0,0|1,0,0]=3 9106 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,1,0,0,0,0|1,0,0]=3 9107 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,1,0,0,0,0|1,0,0]=3 9108 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,1]=4 9109 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 9110 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,1]=4 9111 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 9112 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|0,0,2]=4 9113 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|0,0,2]=4 9114 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|0,0,2]=4 9115 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|0,0,2]=4 9116 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|0,0,0]=2 9117 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|1,0,0]=3 9118 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|1,0,0]=3 9119 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|1,0,0]=3 9120 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|1,0,1]=4 9121 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|1,0,1]=4 9122 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|1,0,1]=4 9123 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|1,0,1]=4 9124 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|1,0,1]=4 9125 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|0,0,2]=4 9126 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|0,0,2]=4 9127 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|1,0,1]=4 9128 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|1,0,1]=4 9129 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|0,0,2]=4 9130 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|0,0,2]=4 9131 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [1,1,0,0,0,0|2,0,0]=4 9132 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,1,0,0,0,0|1,0,0]=3 9133 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,1,0,0,0,0|1,0,0]=3 9134 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,1,0,0,0,0|1,0,0]=3 9135 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,1,0,0,0,0|1,0,0]=3 9136 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|1,0,1]=4 9137 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|1,0,1]=4 9138 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|0,0,2]=4 9139 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|0,0,2]=4 9140 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|0,0,2]=4 9141 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|0,0,2]=4 9142 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [1,1,0,0,0,0|2,0,0]=4 9143 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [1,1,0,0,0,0|1,0,1]=4 9144 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [1,1,0,0,0,0|1,0,1]=4 9145 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,1,0,0,0,0|1,0,0]=3 9146 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|1,0,1]=4 9147 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|1,0,1]=4 9148 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|0,0,2]=4 9149 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|0,0,2]=4 9150 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|2,0,0]=4 9151 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 9152 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [1,1,0,0,0,0|1,0,1]=4 9153 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [1,1,0,0,0,0|1,0,1]=4 9154 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,1,0,0,0,0|0,0,0]=2 9155 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,1,0,0,0,0|0,0,0]=2 9156 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,1,0,0,0,0|0,0,0]=2 9157 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,1,0,0,0,0|1,0,0]=3 9158 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,1,0,0,0,0|1,0,0]=3 9159 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,1,0,0,0,0|1,0,0]=3 9160 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,1,0,0,0,0|1,0,0]=3 9161 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|1,0,1]=4 9162 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|1,0,1]=4 9163 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|1,0,1]=4 9164 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|1,0,1]=4 9165 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|1,0,1]=4 9166 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|0,0,2]=4 9167 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|0,0,2]=4 9168 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [1,1,0,0,0,0|2,0,0]=4 9169 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 9170 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [1,1,0,0,0,0|1,0,0]=3 9171 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [1,1,0,0,0,0|1,0,1]=4 9172 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [1,1,0,0,0,0|1,0,1]=4 9173 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,1,0,0,0,0|0,0,0]=2 9174 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,1,0,0,0,0|0,0,0]=2 9175 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,1,0,0,0,0|1,0,0]=3 9176 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,1,0,0,0,0|1,0,0]=3 9177 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|1,0,1]=4 9178 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|1,0,1]=4 9179 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|0,0,2]=4 9180 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|0,0,2]=4 9181 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [1,1,0,0,0,0|2,0,0]=4 9182 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [1,1,0,0,0,0|1,0,0]=3 9183 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [1,1,0,0,0,0|1,0,0]=3 9184 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [1,1,0,0,0,0|1,0,1]=4 9185 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [1,1,0,0,0,0|1,0,1]=4 9186 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,1,0,0,0,0|0,0,0]=2 9187 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,1,0,0,0,0|1,0,0]=3 9188 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,1,0,0,0,0|1,0,0]=3 9189 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|1,0,1]=4 9190 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|1,0,1]=4 9191 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|1,0,1]=4 9192 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|1,0,1]=4 9193 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|0,0,2]=4 9194 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|0,0,2]=4 9195 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [1,1,0,0,0,0|2,0,0]=4 9196 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [1,1,0,0,0,0|1,0,0]=3 9197 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [1,1,0,0,0,0|1,0,0]=3 9198 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [1,1,0,0,0,0|1,0,0]=3 9199 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [1,1,0,0,0,0|1,0,0]=3 9200 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [1,1,0,0,0,0|2,0,0]=4 9201 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [1,1,0,0,0,0|2,0,0]=4 9202 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [1,1,0,0,0,0|2,0,0]=4 9203 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [1,1,0,0,0,0|1,0,0]=3 9204 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [1,1,0,0,0,0|2,0,0]=4 9205 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [1,1,0,0,0,0|1,0,1]=4 9206 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [1,1,0,0,0,0|1,0,1]=4 9207 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,1,0,0,0,0|0,0,0]=2 9208 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,1,0,0,0,0|0,0,0]=2 9209 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,1,0,0,0,0|0,0,0]=2 9210 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,1,0,0,0,0|0,0,0]=2 9211 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,1,0,0,0,0|1,0,0]=3 9212 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,1,0,0,0,0|1,0,0]=3 9213 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|1,0,1]=4 9214 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|1,0,1]=4 9215 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|1,0,1]=4 9216 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|1,0,1]=4 9217 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|0,0,2]=4 9218 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|0,0,2]=4 9219 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [1,1,0,0,0,0|2,0,0]=4 9220 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [1,1,0,0,0,0|2,0,0]=4 9221 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [1,1,0,0,0,0|1,0,0]=3 9222 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [1,1,0,0,0,0|1,0,0]=3 9223 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [1,1,0,0,0,0|2,0,0]=4 9224 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [1,1,0,0,0,0|2,0,0]=4 9225 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [1,1,0,0,0,0|1,0,0]=3 9226 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [1,1,0,0,0,0|1,0,0]=3 9227 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [1,1,0,0,0,0|2,0,0]=4 9228 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [1,1,0,0,0,0|2,0,0]=4 9229 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [1,1,0,0,0,0|2,0,0]=4 9230 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [1,1,0,0,0,0|2,0,0]=4 9231 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,1,0,0,0,0|2,0,0]=4 9232 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [1,1,0,0,0,0|1,0,0]=3 9233 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [1,1,0,0,0,0|2,0,0]=4 9234 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [1,1,0,0,0,0|2,0,0]=4 9235 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [1,1,0,0,0,0|2,0,0]=4 9236 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [1,1,0,0,0,0|2,0,0]=4 9237 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [1,1,0,0,0,0|1,0,1]=4 9238 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [1,1,0,0,0,0|1,0,1]=4 9239 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,1,0,0,0,0|0,0,0]=2 9240 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,1,0,0,0,0|0,0,0]=2 9241 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,1,0,0,0,0|1,0,0]=3 9242 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,1,0,0,0,0|1,0,0]=3 9243 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|1,0,1]=4 9244 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|1,0,1]=4 9245 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|0,0,2]=4 9246 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|0,0,2]=4 9247 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [1,1,0,0,0,0|2,0,0]=4 9248 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 9249 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 9250 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [1,1,0,0,0,0|1,0,0]=3 9251 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [1,1,0,0,0,0|1,0,0]=3 9252 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [1,1,0,0,0,0|1,0,0]=3 9253 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [1,1,0,0,0,0|1,0,0]=3 9254 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [1,1,0,0,0,0|2,0,0]=4 9255 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [1,1,0,0,0,0|2,0,0]=4 9256 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [1,1,0,0,0,0|1,0,0]=3 9257 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [1,1,0,0,0,0|1,0,0]=3 9258 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [1,1,0,0,0,0|2,0,0]=4 9259 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [1,1,0,0,0,0|2,0,0]=4 9260 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,1,0,0,0,0|1,0,0]=3 9261 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [1,1,0,0,0,0|1,0,0]=3 9262 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,1,0,0,0,0|2,0,0]=4 9263 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|0,0,0]=2 9264 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,1,0,0,0,0|1,0,0]=3 9265 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,1,0,0,0,0|1,0,0]=3 9266 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|1,0,1]=4 9267 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 9268 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|1,0,1]=4 9269 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [1,1,0,0,0,0|2,0,0]=4 9270 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [1,1,0,0,0,0|2,0,0]=4 9271 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [1,1,0,0,0,0|1,0,0]=3 9272 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [1,1,0,0,0,0|1,0,0]=3 9273 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [1,1,0,0,0,0|1,0,0]=3 9274 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [1,1,0,0,0,0|1,0,0]=3 9275 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [1,1,0,0,0,0|1,0,0]=3 9276 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [1,1,0,0,0,0|1,1,0]=4 9277 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [1,1,0,0,0,0|1,0,0]=3 9278 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [1,1,0,0,0,0|2,0,0]=4 9279 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [1,1,0,0,0,0|2,0,0]=4 9280 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [1,1,0,0,0,0|2,0,0]=4 9281 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,1,0,0,0,0|2,0,0]=4 9282 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [1,1,0,0,0,0|2,0,0]=4 9283 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [1,1,0,0,0,0|1,0,0]=3 9284 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [1,1,0,0,0,0|2,0,0]=4 9285 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 9286 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [1,1,0,0,0,0|2,0,0]=4 9287 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [1,1,0,0,0,0|2,0,0]=4 9288 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [1,1,0,0,0,0|2,0,0]=4 9289 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [1,1,0,0,0,0|2,0,0]=4 9290 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [1,1,0,0,0,0|2,0,0]=4 9291 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [1,1,0,0,0,0|2,0,0]=4 9292 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,1,0,0,0,0|0,0,0]=2 9293 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,1,0,0,0,0|0,0,0]=2 9294 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|1,0,1]=4 9295 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|1,0,1]=4 9296 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [1,1,0,0,0,0|2,0,0]=4 9297 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [1,1,0,0,0,0|1,0,0]=3 9298 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [1,1,0,0,0,0|1,0,0]=3 9299 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [1,1,0,0,0,0|1,1,0]=4 9300 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [1,1,0,0,0,0|1,1,0]=4 9301 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [1,1,0,0,0,0|1,0,0]=3 9302 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [1,1,0,0,0,0|1,0,0]=3 9303 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [1,1,0,0,0,0|2,0,0]=4 9304 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 9305 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [1,1,0,0,0,0|2,0,0]=4 9306 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [1,1,0,0,0,0|2,0,0]=4 9307 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [1,1,0,0,0,0|2,0,0]=4 9308 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [1,1,0,0,0,0|2,0,0]=4 9309 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,1,0,0,0,0|1,0,0]=3 9310 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 9311 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,1]=4 9312 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 9313 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [1,1,0,0,0,0|1,0,0]=3 9314 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [1,1,0,0,0,0|1,0,0]=3 9315 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [1,1,0,0,0,0|1,0,0]=3 9316 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,1,0,0,0,0|1,0,0]=3 9317 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,1,0,0,0,0|1,0,0]=3 9318 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,1,0,0,0,0|1,0,0]=3 9319 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,1,0,0,0,0|1,0,0]=3 9320 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 9321 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|1,0,1]=4 9322 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|1,0,1]=4 9323 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [1,1,0,0,0,0|1,0,0]=3 9324 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [1,1,0,0,0,0|1,0,0]=3 9325 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [1,1,0,0,0,0|1,0,0]=3 9326 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [1,1,0,0,0,0|1,0,0]=3 9327 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [1,1,0,0,0,0|2,0,0]=4 9328 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [1,1,0,0,0,0|2,0,0]=4 9329 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [1,1,0,0,0,0|2,0,0]=4 9330 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,1,0,0,0,0|2,0,0]=4 9331 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [1,1,0,0,0,0|2,0,0]=4 9332 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [1,1,0,0,0,0|1,0,0]=3 9333 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [1,1,0,0,0,0|2,0,0]=4 9334 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [1,1,0,0,0,0|2,0,0]=4 9335 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [1,1,0,0,0,0|2,0,0]=4 9336 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [1,1,0,0,0,0|2,0,0]=4 9337 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [1,1,0,0,0,0|2,0,0]=4 9338 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [1,1,0,0,0,0|2,0,0]=4 9339 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [1,1,0,0,0,0|2,0,0]=4 9340 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [1,1,0,0,0,0|2,0,0]=4 9341 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [1,1,0,0,0,0|2,0,0]=4 9342 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [1,1,0,0,0,0|2,0,0]=4 9343 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [1,1,0,0,0,0|1,0,0]=3 9344 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [1,1,0,0,0,0|1,0,0]=3 9345 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [1,1,0,0,0,0|1,0,0]=3 9346 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [1,1,0,0,0,0|1,0,0]=3 9347 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [1,1,0,0,0,0|2,0,0]=4 9348 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [1,1,0,0,0,0|2,0,0]=4 9349 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [1,1,0,0,0,0|2,0,0]=4 9350 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [1,1,0,0,0,0|2,0,0]=4 9351 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [1,1,0,0,0,0|2,0,0]=4 9352 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [1,1,0,0,0,0|1,0,0]=3 9353 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [1,1,0,0,0,0|1,0,0]=3 9354 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [1,1,0,0,0,0|2,0,0]=4 9355 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [1,1,0,0,0,0|2,0,0]=4 9356 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [1,1,0,0,0,0|2,0,0]=4 9357 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [1,1,0,0,0,0|2,0,0]=4 9358 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [1,1,0,0,0,0|2,0,0]=4 9359 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [1,1,0,0,0,0|1,0,0]=3 9360 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [1,1,0,0,0,0|1,0,0]=3 9361 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [1,1,0,0,0,0|2,0,0]=4 9362 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [1,1,0,0,0,0|2,0,0]=4 9363 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [1,1,0,0,0,0|2,0,0]=4 9364 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [1,1,0,0,0,0|2,0,0]=4 9365 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [1,1,0,0,0,0|2,0,0]=4 9366 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [1,1,0,0,0,0|2,0,0]=4 9367 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,1,0,0,0,0|1,0,0]=3 9368 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,1,0,0,0,0|1,0,0]=3 9369 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|1,0,1]=4 9370 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|1,0,1]=4 9371 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [1,1,0,0,0,0|1,0,0]=3 9372 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [1,1,0,0,0,0|1,0,0]=3 9373 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [1,1,0,0,0,0|1,0,0]=3 9374 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [1,1,0,0,0,0|1,0,0]=3 9375 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [1,1,0,0,0,0|2,0,0]=4 9376 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [1,1,0,0,0,0|2,0,0]=4 9377 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [1,1,0,0,0,0|2,0,0]=4 9378 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [1,1,0,0,0,0|2,0,0]=4 9379 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [1,1,0,0,0,0|1,0,0]=3 9380 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [1,1,0,0,0,0|1,0,0]=3 9381 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [1,1,0,0,0,0|1,0,0]=3 9382 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [1,1,0,0,0,0|2,0,0]=4 9383 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [1,1,0,0,0,0|2,0,0]=4 9384 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [1,1,0,0,0,0|2,0,0]=4 9385 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [1,1,0,0,0,0|2,0,0]=4 9386 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [1,1,0,0,0,0|2,0,0]=4 9387 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [1,1,0,0,0,0|1,0,0]=3 9388 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [1,1,0,0,0,0|1,0,0]=3 9389 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [1,1,0,0,0,0|2,0,0]=4 9390 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [1,1,0,0,0,0|2,0,0]=4 9391 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [1,1,0,0,0,0|2,0,0]=4 9392 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [1,1,0,0,0,0|2,0,0]=4 9393 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [1,1,0,0,0,0|2,0,0]=4 9394 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [1,1,0,0,0,0|2,0,0]=4 9395 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [1,1,0,0,0,0|2,0,0]=4 9396 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [1,1,0,0,0,0|2,0,0]=4 9397 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 9398 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [1,1,0,0,0,0|1,0,1]=4 9399 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [1,1,0,0,0,0|1,0,0]=3 9400 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [1,1,0,0,0,0|1,0,0]=3 9401 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [1,1,0,0,0,0|1,0,0]=3 9402 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [1,1,0,0,0,0|1,0,0]=3 9403 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [1,1,0,0,0,0|1,0,0]=3 9404 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [1,1,0,0,0,0|2,0,0]=4 9405 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [1,1,0,0,0,0|2,0,0]=4 9406 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [1,1,0,0,0,0|2,0,0]=4 9407 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [1,1,0,0,0,0|2,0,0]=4 9408 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [1,1,0,0,0,0|2,0,0]=4 9409 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,1,0,0,0,0|0,0,0]=2 9410 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [1,1,0,0,0,0|2,0,0]=4 9411 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [1,1,0,0,0,0|2,0,0]=4 9412 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 9413 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 9414 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [1,1,0,0,0,0|1,0,0]=3 9415 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [1,1,0,0,0,0|1,0,0]=3 9416 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [1,1,0,0,0,0|1,0,0]=3 9417 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [1,1,0,0,0,0|2,0,0]=4 9418 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,1,0,0,0,0|2,0,0]=4 9419 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [1,1,0,0,0,0|1,0,0]=3 9420 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [1,1,0,0,0,0|2,0,0]=4 9421 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [1,1,0,0,0,0|2,0,0]=4 9422 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [1,1,0,0,0,0|2,0,0]=4 9423 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [1,1,0,0,0,0|2,0,0]=4 9424 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [1,1,0,0,0,0|2,0,0]=4 9425 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [1,1,0,0,0,0|2,0,0]=4 9426 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [1,1,0,0,0,0|2,0,0]=4 9427 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [1,1,0,0,0,0|2,0,0]=4 9428 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [1,1,0,0,0,0|1,0,0]=3 9429 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [1,1,0,0,0,0|1,0,0]=3 9430 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [1,1,0,0,0,0|2,0,0]=4 9431 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [1,1,0,0,0,0|2,0,0]=4 9432 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [1,1,0,0,0,0|2,0,0]=4 9433 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [1,1,0,0,0,0|2,0,0]=4 9434 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [1,1,0,0,0,0|1,0,0]=3 9435 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [1,1,0,0,0,0|1,0,0]=3 9436 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [1,1,0,0,0,0|2,0,0]=4 9437 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [1,1,0,0,0,0|2,0,0]=4 9438 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [1,1,0,0,0,0|2,0,0]=4 9439 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [1,1,0,0,0,0|2,0,0]=4 9440 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [1,1,0,0,0,0|2,0,0]=4 9441 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [1,1,0,0,0,0|2,0,0]=4 9442 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [1,1,0,0,0,0|2,0,0]=4 9443 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [1,1,0,0,0,0|2,0,0]=4 9444 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [1,1,0,0,0,0|1,0,0]=3 9445 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [1,1,0,0,0,0|1,0,0]=3 9446 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [1,1,0,0,0,0|1,0,0]=3 9447 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [1,1,0,0,0,0|1,0,0]=3 9448 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [1,1,0,0,0,0|2,0,0]=4 9449 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 9450 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 9451 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [1,1,0,0,0,0|2,0,0]=4 9452 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [1,1,0,0,0,0|2,0,0]=4 9453 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [1,1,0,0,0,0|2,0,0]=4 9454 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [1,1,0,0,0,0|2,0,0]=4 9455 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [1,1,0,0,0,0|2,0,0]=4 9456 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [1,1,0,0,0,0|1,0,0]=3 9457 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [1,1,0,0,0,0|1,0,0]=3 9458 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [1,1,0,0,0,0|2,0,0]=4 9459 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [1,1,0,0,0,0|2,0,0]=4 9460 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [1,1,0,0,0,0|2,0,0]=4 9461 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [1,1,0,0,0,0|2,0,0]=4 9462 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [1,1,0,0,0,0|2,0,0]=4 9463 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [1,1,0,0,0,0|2,0,0]=4 9464 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [1,1,0,0,0,0|1,0,0]=3 9465 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [1,1,0,0,0,0|1,0,0]=3 9466 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [1,1,0,0,0,0|2,0,0]=4 9467 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [1,1,0,0,0,0|2,0,0]=4 9468 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [1,1,0,0,0,0|2,0,0]=4 9469 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [1,1,0,0,0,0|2,0,0]=4 9470 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [1,1,0,0,0,0|2,0,0]=4 9471 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [1,1,0,0,0,0|2,0,0]=4 9472 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [1,1,0,0,0,0|1,0,0]=3 9473 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [1,1,0,0,0,0|1,0,0]=3 9474 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 9475 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [1,1,0,0,0,0|2,0,0]=4 9476 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [1,1,0,0,0,0|2,0,0]=4 9477 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [1,1,0,0,0,0|2,0,0]=4 9478 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [1,1,0,0,0,0|1,0,0]=3 9479 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [1,1,0,0,0,0|2,0,0]=4 9480 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [1,1,0,0,0,0|2,0,0]=4 9481 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [1,1,0,0,0,0|2,0,0]=4 9482 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [1,1,0,0,0,0|2,0,0]=4 9483 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [1,1,0,0,0,0|2,0,0]=4 9484 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [1,1,0,0,0,0|2,0,0]=4 9485 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [1,1,0,0,0,0|2,0,0]=4 9486 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [1,1,0,0,0,0|1,0,0]=3 9487 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [1,1,0,0,0,0|1,0,0]=3 9488 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [1,1,0,0,0,0|1,0,0]=3 9489 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [1,1,0,0,0,0|1,0,0]=3 9490 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 9491 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [1,1,0,0,0,0|2,0,0]=4 9492 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [1,1,0,0,0,0|2,0,0]=4 9493 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [1,1,0,0,0,0|2,0,0]=4 9494 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [1,1,0,0,0,0|2,0,0]=4 9495 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [1,1,0,0,0,0|2,0,0]=4 9496 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [1,1,0,0,0,0|2,0,0]=4 9497 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [1,1,0,0,0,0|2,0,0]=4 9498 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [1,1,0,0,0,0|1,0,0]=3 9499 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [1,1,0,0,0,0|1,0,0]=3 9500 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [1,1,0,0,0,0|2,0,0]=4 9501 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [1,1,0,0,0,0|2,0,0]=4 9502 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [1,1,0,0,0,0|2,0,0]=4 9503 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [1,1,0,0,0,0|2,0,0]=4 9504 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [1,1,0,0,0,0|2,0,0]=4 9505 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [1,1,0,0,0,0|2,0,0]=4 9506 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [1,1,0,0,0,0|2,0,0]=4 9507 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [1,1,0,0,0,0|2,0,0]=4 9508 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [1,1,0,0,0,0|2,0,0]=4 9509 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [1,1,0,0,0,0|2,0,0]=4 9510 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [1,1,0,0,0,0|1,0,0]=3 9511 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [1,1,0,0,0,0|1,0,0]=3 9512 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [1,1,0,0,0,0|2,0,0]=4 9513 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [1,1,0,0,0,0|2,0,0]=4 9514 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [1,1,0,0,0,0|2,0,0]=4 9515 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [1,1,0,0,0,0|2,0,0]=4 9516 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [1,1,0,0,0,0|2,0,0]=4 9517 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [1,1,0,0,0,0|2,0,0]=4 9518 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [1,1,0,0,0,0|2,0,0]=4 9519 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [1,1,0,0,0,0|2,0,0]=4 9520 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [1,1,0,0,0,0|2,0,0]=4 9521 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [1,1,0,0,0,0|2,0,0]=4 9522 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [1,1,0,0,0,0|2,0,0]=4 9523 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [1,1,0,0,0,0|2,0,0]=4 9524 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [1,1,0,0,0,0|2,0,0]=4 9525 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [1,1,0,0,0,0|2,0,0]=4 9526 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [1,1,0,0,0,0|2,0,0]=4 9527 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [1,1,0,0,0,0|2,0,0]=4 9528 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [1,1,0,0,0,0|2,0,0]=4 9529 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [1,1,0,0,0,0|2,0,0]=4 9530 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [1,1,0,0,0,0|2,0,0]=4 9531 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [1,1,0,0,0,0|2,0,0]=4 9532 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [1,1,0,0,0,0|2,0,0]=4 9533 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [1,1,0,0,0,0|2,0,0]=4 9534 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [1,1,0,0,0,0|2,0,0]=4 9535 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [1,1,0,0,0,0|2,0,0]=4 9536 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [1,1,0,0,0,0|2,0,0]=4 9537 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [1,1,0,0,0,0|2,0,0]=4 9538 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [1,1,0,0,0,0|2,0,0]=4 9539 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [1,1,0,0,0,0|2,0,0]=4 9540 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [1,1,0,0,0,0|2,0,0]=4 9541 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [1,1,0,0,0,0|2,0,0]=4 9542 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [1,1,0,0,0,0|2,0,0]=4 9543 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [1,1,0,0,0,0|2,0,0]=4 9544 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [1,1,0,0,0,0|2,0,0]=4 9545 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [1,1,0,0,0,0|2,0,0]=4 9546 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [1,1,0,0,0,0|2,0,0]=4 9547 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [1,1,0,0,0,0|2,0,0]=4 9548 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [1,1,0,0,0,0|2,0,0]=4 9549 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [1,1,0,0,0,0|2,0,0]=4 9550 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [1,1,0,0,0,0|2,0,0]=4 9551 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [1,1,0,0,0,0|2,0,0]=4 9552 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [1,1,0,0,0,0|2,0,0]=4 9553 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [1,1,0,0,0,0|2,0,0]=4 9554 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [1,1,0,0,0,0|2,0,0]=4 9555 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [1,1,0,0,0,0|2,0,0]=4 9556 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [1,1,0,0,0,0|2,0,0]=4 9557 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [1,1,0,0,0,0|2,0,0]=4 9558 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [1,1,0,0,0,0|2,0,0]=4 9559 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [1,1,0,0,0,0|2,0,0]=4 9560 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [1,1,0,0,0,0|2,0,0]=4 9561 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [1,1,0,0,0,0|2,0,0]=4 9562 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [1,1,0,0,0,0|2,0,0]=4 9563 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [1,1,0,0,0,0|2,0,0]=4 9564 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [1,1,0,0,0,0|2,0,0]=4 9565 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [1,1,0,0,0,0|2,0,0]=4 9566 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [1,1,0,0,0,0|2,0,0]=4 9567 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [1,1,0,0,0,0|2,0,0]=4 9568 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [1,1,0,0,0,0|2,0,0]=4 9569 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [1,1,0,0,0,0|2,0,0]=4 9570 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,1,0,0,0,0|2,0,0]=4 9571 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,1,0,0,0,0|2,0,0]=4 9572 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [1,1,0,0,0,0|2,0,0]=4 9573 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [1,1,0,0,0,0|2,0,0]=4 9574 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [1,1,0,0,0,0|2,0,0]=4 9575 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [1,1,0,0,0,0|2,0,0]=4 9576 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [1,1,0,0,0,0|2,0,0]=4 9577 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [1,1,0,0,0,0|2,0,0]=4 9578 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [1,1,0,0,0,0|2,0,0]=4 9579 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [1,1,0,0,0,0|2,0,0]=4 9580 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [1,1,0,0,0,0|2,0,0]=4 9581 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,1,0,0,0,0|0,0,0]=2 9582 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [1,1,0,0,0,0|2,0,0]=4 9583 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [1,1,0,0,0,0|2,0,0]=4 9584 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|1,0,1]=4 9585 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [1,1,0,0,0,0|2,0,0]=4 9586 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [1,1,0,0,0,0|2,0,0]=4 9587 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [1,1,0,0,0,0|2,0,0]=4 9588 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [1,1,0,0,0,0|2,0,0]=4 9589 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|0,0,1]=3 9590 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,1]=4 9591 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,1]=4 9592 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|1,0,1]=4 9593 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 9594 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 9595 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 9596 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|1,0,0]=3 9597 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [1,1,0,0,0,0|2,0,0]=4 9598 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [1,1,0,0,0,0|2,0,0]=4 9599 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [1,1,0,0,0,0|2,0,0]=4 9600 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,1,0,0,0,0|2,0,0]=4 9601 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [1,1,0,0,0,0|2,0,0]=4 9602 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,1]=4 9603 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|1,0,1]=4 9604 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [1,1,0,0,0,0|2,0,0]=4 9605 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [1,1,0,0,0,0|2,0,0]=4 9606 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,1,0,0,0,0|2,0,0]=4 9607 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [1,1,0,0,0,0|2,0,0]=4 9608 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [1,1,0,0,0,0|2,0,0]=4 9609 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [1,1,0,0,0,0|2,0,0]=4 9610 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [1,1,0,0,0,0|2,0,0]=4 9611 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [1,1,0,0,0,0|2,0,0]=4 9612 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [1,1,0,0,0,0|2,0,0]=4 9613 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [1,1,0,0,0,0|2,0,0]=4 9614 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [1,1,0,0,0,0|2,0,0]=4 9615 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [1,1,0,0,0,0|2,0,0]=4 9616 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [1,1,0,0,0,0|2,0,0]=4 9617 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [1,1,0,0,0,0|2,0,0]=4 9618 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [1,1,0,0,0,0|2,0,0]=4 9619 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [1,1,0,0,0,0|2,0,0]=4 9620 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [1,1,0,0,0,0|2,0,0]=4 9621 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [1,1,0,0,0,0|2,0,0]=4 9622 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [1,1,0,0,0,0|2,0,0]=4 9623 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [1,1,0,0,0,0|2,0,0]=4 9624 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [1,1,0,0,0,0|2,0,0]=4 9625 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [1,1,0,0,0,0|2,0,0]=4 9626 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [1,1,0,0,0,0|2,0,0]=4 9627 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [1,1,0,0,0,0|2,0,0]=4 9628 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [1,1,0,0,0,0|2,0,0]=4 9629 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [1,1,0,0,0,0|2,0,0]=4 9630 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [1,1,0,0,0,0|2,0,0]=4 9631 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [1,1,0,0,0,0|2,0,0]=4 9632 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [1,1,0,0,0,0|2,0,0]=4 9633 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [1,1,0,0,0,0|2,0,0]=4 9634 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [1,1,0,0,0,0|2,0,0]=4 9635 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [1,1,0,0,0,0|2,0,0]=4 9636 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [1,1,0,0,0,0|2,0,0]=4 9637 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [1,1,0,0,0,0|2,0,0]=4 9638 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [1,1,0,0,0,0|2,0,0]=4 9639 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,1,0,0,0,0|1,0,1]=4 9640 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [1,1,0,0,0,0|2,0,0]=4 9641 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [1,1,0,0,0,0|2,0,0]=4 9642 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [1,1,0,0,0,0|2,0,0]=4 9643 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [1,1,0,0,0,0|2,0,0]=4 9644 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [1,1,0,0,0,0|2,0,0]=4 9645 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [1,1,0,0,0,0|2,0,0]=4 9646 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [1,1,0,0,0,0|2,0,0]=4 9647 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [1,1,0,0,0,0|2,0,0]=4 9648 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [1,1,0,0,0,0|2,0,0]=4 9649 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [1,1,0,0,0,0|2,0,0]=4 9650 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [1,1,0,0,0,0|2,0,0]=4 9651 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [1,1,0,0,0,0|2,0,0]=4 9652 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [1,1,0,0,0,0|2,0,0]=4 9653 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [1,1,0,0,0,0|2,0,0]=4 9654 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [1,1,0,0,0,0|2,0,0]=4 9655 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [1,1,0,0,0,0|2,0,0]=4 9656 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [1,1,0,0,0,0|2,0,0]=4 9657 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [1,1,0,0,0,0|2,0,0]=4 9658 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [1,1,0,0,0,0|2,0,0]=4 9659 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [1,1,0,0,0,0|2,0,0]=4 9660 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [1,1,0,0,0,0|2,0,0]=4 9661 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [1,1,0,0,0,0|2,0,0]=4 9662 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [1,1,0,0,0,0|2,0,0]=4 9663 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [1,1,0,0,0,0|2,0,0]=4 9664 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|0,0,1]=3 9665 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,1,0,0,0,0|1,0,1]=4 9666 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,1,0,0,0,0|1,0,1]=4 9667 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,1,0,0,0,0|1,0,1]=4 9668 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [1,1,0,0,0,0|1,0,1]=4 9669 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [1,1,0,0,0,0|1,0,1]=4 9670 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [1,1,0,0,0,0|1,0,1]=4 9671 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [1,1,0,0,0,0|2,0,0]=4 9672 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [1,1,0,0,0,0|2,0,0]=4 9673 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [1,1,0,0,0,0|2,0,0]=4 9674 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,1,0,0,0,0|1,0,0]=3 9675 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,1,0,0,0,0|1,0,0]=3 9676 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [1,1,0,0,0,0|2,0,0]=4 9677 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [1,1,0,0,0,0|2,0,0]=4 9678 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,1,0,0,0,0|1,0,0]=3 9679 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,1,0,0,0,0|1,0,0]=3 9680 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [1,1,0,0,0,0|2,0,0]=4 9681 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [1,1,0,0,0,0|2,0,0]=4 9682 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [1,1,0,0,0,0|2,0,0]=4 9683 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [1,1,0,0,0,0|2,0,0]=4 9684 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [1,1,0,0,0,0|2,0,0]=4 9685 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [1,1,0,0,0,0|2,0,0]=4 9686 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [1,1,0,0,0,0|2,0,0]=4 9687 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [1,1,0,0,0,0|2,0,0]=4 9688 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,1,0,0,0,0|1,0,0]=3 9689 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,1,0,0,0,0|1,0,0]=3 9690 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,1,0,0,0,0|1,0,0]=3 9691 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [1,1,0,0,0,0|2,0,0]=4 9692 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [1,1,0,0,0,0|2,0,0]=4 9693 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [1,1,0,0,0,0|2,0,0]=4 9694 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [1,1,0,0,0,0|2,0,0]=4 9695 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,1,0,0,0,0|1,0,0]=3 9696 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,1,0,0,0,0|1,0,0]=3 9697 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [1,1,0,0,0,0|2,0,0]=4 9698 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [1,1,0,0,0,0|2,0,0]=4 9699 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [1,1,0,0,0,0|2,0,0]=4 9700 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [1,1,0,0,0,0|2,0,0]=4 9701 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [1,1,0,0,0,0|2,0,0]=4 9702 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [1,1,0,0,0,0|2,0,0]=4 9703 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [1,1,0,0,0,0|2,0,0]=4 9704 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,1,0,0,0,0|1,0,0]=3 9705 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,1,0,0,0,0|1,0,0]=3 9706 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [1,1,0,0,0,0|2,0,0]=4 9707 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [1,1,0,0,0,0|2,0,0]=4 9708 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [1,1,0,0,0,0|1,0,0]=3 9709 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [1,1,0,0,0,0|1,0,0]=3 9710 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [1,1,0,0,0,0|2,0,0]=4 9711 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [1,1,0,0,0,0|2,0,0]=4 9712 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [1,1,0,0,0,0|2,0,0]=4 9713 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [1,1,0,0,0,0|2,0,0]=4 9714 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,1,0,0,0,0|1,0,0]=3 9715 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [1,1,0,0,0,0|2,0,0]=4 9716 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [1,1,0,0,0,0|2,0,0]=4 9717 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [1,1,0,0,0,0|2,0,0]=4 9718 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,1,0,0,0,0|1,0,0]=3 9719 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,1,0,0,0,0|1,0,0]=3 9720 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,1,0,0,0,0|1,0,0]=3 9721 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [1,1,0,0,0,0|2,0,0]=4 9722 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [1,1,0,0,0,0|2,0,0]=4 9723 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [1,1,0,0,0,0|2,0,0]=4 9724 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,1,0,0,0,0|1,0,0]=3 9725 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,1,0,0,0,0|1,0,0]=3 9726 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [1,1,0,0,0,0|2,0,0]=4 9727 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [1,1,0,0,0,0|2,0,0]=4 9728 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [1,1,0,0,0,0|2,0,0]=4 9729 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [1,1,0,0,0,0|2,0,0]=4 9730 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,1,0,0,0,0|1,0,1]=4 9731 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,1,0,0,0,0|1,0,1]=4 9732 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,1,0,0,0,0|1,0,1]=4 9733 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [1,1,0,0,0,0|2,0,0]=4 9734 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [1,1,0,0,0,0|2,0,0]=4 9735 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|1,0,1]=4 9736 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [1,1,0,0,0,0|2,0,0]=4 9737 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [1,1,0,0,0,0|2,0,0]=4 9738 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [1,1,0,0,0,0|2,0,0]=4 9739 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [1,1,0,0,0,0|2,0,0]=4 9740 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [1,1,0,0,0,0|2,0,0]=4 9741 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [1,1,0,0,0,0|2,0,0]=4 9742 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [1,1,0,0,0,0|2,0,0]=4 9743 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [1,1,0,0,0,0|2,0,0]=4 9744 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [1,1,0,0,0,0|2,0,0]=4 9745 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [1,1,0,0,0,0|2,0,0]=4 9746 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [1,1,0,0,0,0|2,0,0]=4 9747 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [1,1,0,0,0,0|2,0,0]=4 9748 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [1,1,0,0,0,0|2,0,0]=4 9749 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [1,1,0,0,0,0|2,0,0]=4 9750 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [1,1,0,0,0,0|2,0,0]=4 9751 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|0,0,0]=2 9752 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 9753 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 9754 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [1,1,0,0,0,0|2,0,0]=4 9755 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|0,0,0]=2 9756 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|0,0,0]=2 9757 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 9758 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 9759 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 9760 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [1,1,0,0,0,0|1,0,0]=3 9761 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [1,1,0,0,0,0|1,0,0]=3 9762 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [1,1,0,0,0,0|2,0,0]=4 9763 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [1,1,0,0,0,0|2,0,0]=4 9764 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [1,1,0,0,0,0|2,0,0]=4 9765 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [1,1,0,0,0,0|2,0,0]=4 9766 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [1,1,0,0,0,0|2,0,0]=4 9767 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,1,0,0,0,0|1,0,0]=3 9768 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,1,0,0,0,0|1,0,0]=3 9769 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [1,1,0,0,0,0|2,0,0]=4 9770 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [1,1,0,0,0,0|2,0,0]=4 9771 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [1,1,0,0,0,0|2,0,0]=4 9772 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [1,1,0,0,0,0|2,0,0]=4 9773 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [1,1,0,0,0,0|2,0,0]=4 9774 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [1,1,0,0,0,0|2,0,0]=4 9775 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [1,1,0,0,0,0|2,0,0]=4 9776 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [1,1,0,0,0,0|2,0,0]=4 9777 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [1,1,0,0,0,0|1,0,0]=3 9778 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [1,1,0,0,0,0|1,0,0]=3 9779 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [1,1,0,0,0,0|2,0,0]=4 9780 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [1,1,0,0,0,0|2,0,0]=4 9781 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [1,1,0,0,0,0|2,0,0]=4 9782 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [1,1,0,0,0,0|2,0,0]=4 9783 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [1,1,0,0,0,0|2,0,0]=4 9784 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [1,1,0,0,0,0|2,0,0]=4 9785 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [1,1,0,0,0,0|2,0,0]=4 9786 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [1,1,0,0,0,0|2,0,0]=4 9787 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [1,1,0,0,0,0|1,0,1]=4 9788 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [1,1,0,0,0,0|1,0,0]=3 9789 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [1,1,0,0,0,0|1,0,0]=3 9790 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [1,1,0,0,0,0|2,0,0]=4 9791 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [1,1,0,0,0,0|1,0,1]=4 9792 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [1,1,0,0,0,0|1,0,1]=4 9793 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [1,1,0,0,0,0|2,0,0]=4 9794 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [1,1,0,0,0,0|2,0,0]=4 9795 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [1,1,0,0,0,0|2,0,0]=4 9796 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [1,1,0,0,0,0|2,0,0]=4 9797 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [1,1,0,0,0,0|2,0,0]=4 9798 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [1,1,0,0,0,0|2,0,0]=4 9799 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [1,1,0,0,0,0|2,0,0]=4 9800 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [1,1,0,0,0,0|2,0,0]=4 9801 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [1,1,0,0,0,0|2,0,0]=4 9802 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [1,1,0,0,0,0|2,0,0]=4 9803 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [1,1,0,0,0,0|2,0,0]=4 9804 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [1,1,0,0,0,0|2,0,0]=4 9805 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [1,1,0,0,0,0|2,0,0]=4 9806 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [1,1,0,0,0,0|2,0,0]=4 9807 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [1,1,0,0,0,0|2,0,0]=4 9808 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [1,1,0,0,0,0|2,0,0]=4 9809 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [1,1,0,0,0,0|2,0,0]=4 9810 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [1,1,0,0,0,0|2,0,0]=4 9811 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [1,1,0,0,0,0|2,0,0]=4 9812 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [1,1,0,0,0,0|2,0,0]=4 9813 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [1,1,0,0,0,0|2,0,0]=4 9814 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [1,1,0,0,0,0|1,0,1]=4 9815 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [1,1,0,0,0,0|1,0,1]=4 9816 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [1,1,0,0,0,0|2,0,0]=4 9817 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [1,1,0,0,0,0|2,0,0]=4 9818 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [1,1,0,0,0,0|2,0,0]=4 9819 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [1,1,0,0,0,0|2,0,0]=4 9820 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [1,1,0,0,0,0|2,0,0]=4 9821 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [1,1,0,0,0,0|2,0,0]=4 9822 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [1,1,0,0,0,0|2,0,0]=4 9823 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [1,1,0,0,0,0|2,0,0]=4 9824 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [1,1,0,0,0,0|2,0,0]=4 9825 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [1,1,0,0,0,0|2,0,0]=4 9826 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [1,1,0,0,0,0|2,0,0]=4 9827 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [1,1,0,0,0,0|2,0,0]=4 9828 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,1,0,0,0,0|1,0,1]=4 9829 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [1,1,0,0,0,0|1,0,1]=4 9830 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [1,1,0,0,0,0|1,0,1]=4 9831 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [1,1,0,0,0,0|1,0,1]=4 9832 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|0,0,0]=2 9833 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|0,0,0]=2 9834 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [1,1,0,0,0,0|2,0,0]=4 9835 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [1,1,0,0,0,0|2,0,0]=4 9836 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,1,0,0,0,0|2,0,0]=4 9837 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,1,0,0,0,0|1,0,0]=3 9838 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [1,1,0,0,0,0|2,0,0]=4 9839 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [1,1,0,0,0,0|2,0,0]=4 9840 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [1,1,0,0,0,0|2,0,0]=4 9841 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [1,1,0,0,0,0|2,0,0]=4 9842 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [1,1,0,0,0,0|2,0,0]=4 9843 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [1,1,0,0,0,0|2,0,0]=4 9844 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [1,1,0,0,0,0|2,0,0]=4 9845 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,1,0,0,0,0|1,0,0]=3 9846 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [1,1,0,0,0,0|2,0,0]=4 9847 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [1,1,0,0,0,0|2,0,0]=4 9848 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [1,1,0,0,0,0|2,0,0]=4 9849 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [1,1,0,0,0,0|2,0,0]=4 9850 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [1,1,0,0,0,0|1,0,1]=4 9851 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [1,1,0,0,0,0|1,0,1]=4 9852 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [1,1,0,0,0,0|2,0,0]=4 9853 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 9854 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 9855 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 9856 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [1,1,0,0,0,0|2,0,0]=4 9857 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [1,1,0,0,0,0|2,0,0]=4 9858 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [1,1,0,0,0,0|2,0,0]=4 9859 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [1,1,0,0,0,0|2,0,0]=4 9860 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [1,1,0,0,0,0|2,0,0]=4 9861 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [1,1,0,0,0,0|2,0,0]=4 9862 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [1,1,0,0,0,0|2,0,0]=4 9863 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [1,1,0,0,0,0|2,0,0]=4 9864 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [1,1,0,0,0,0|2,0,0]=4 9865 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [1,1,0,0,0,0|2,0,0]=4 9866 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [1,1,0,0,0,0|2,0,0]=4 9867 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [1,1,0,0,0,0|2,0,0]=4 9868 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [1,1,0,0,0,0|2,0,0]=4 9869 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [1,1,0,0,0,0|2,0,0]=4 9870 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [1,1,0,0,0,0|2,0,0]=4 9871 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [1,1,0,0,0,0|1,0,1]=4 9872 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [1,1,0,0,0,0|1,0,1]=4 9873 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [1,1,0,0,0,0|2,0,0]=4 9874 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [1,1,0,0,0,0|2,0,0]=4 9875 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [1,1,0,0,0,0|2,0,0]=4 9876 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [1,1,0,0,0,0|2,0,0]=4 9877 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [1,1,0,0,0,0|2,0,0]=4 9878 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [1,1,0,0,0,0|2,0,0]=4 9879 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [1,1,0,0,0,0|1,0,1]=4 9880 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [1,1,0,0,0,0|1,0,1]=4 9881 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [1,1,0,0,0,0|2,0,0]=4 9882 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [1,1,0,0,0,0|2,0,0]=4 9883 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [1,1,0,0,0,0|2,0,0]=4 9884 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [1,1,0,0,0,0|2,0,0]=4 9885 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [1,1,0,0,0,0|2,0,0]=4 9886 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [1,1,0,0,0,0|2,0,0]=4 9887 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [1,1,0,0,0,0|1,0,1]=4 9888 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [1,1,0,0,0,0|1,0,1]=4 9889 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [1,1,0,0,0,0|1,0,1]=4 9890 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [1,1,0,0,0,0|2,0,0]=4 9891 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [1,1,0,0,0,0|2,0,0]=4 9892 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [1,1,0,0,0,0|2,0,0]=4 9893 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [1,1,0,0,0,0|2,0,0]=4 9894 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [1,1,0,0,0,0|1,0,1]=4 9895 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [1,1,0,0,0,0|1,0,1]=4 9896 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [1,1,0,0,0,0|2,0,0]=4 9897 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [1,1,0,0,0,0|2,0,0]=4 9898 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [1,1,0,0,0,0|2,0,0]=4 9899 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [1,1,0,0,0,0|2,0,0]=4 9900 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [1,1,0,0,0,0|2,0,0]=4 9901 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,1,0,0,0,0|1,0,1]=4 9902 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|0,0,0]=2 9903 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|0,0,0]=2 9904 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [1,1,0,0,0,0|2,0,0]=4 9905 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,1,0,0,0,0|1,0,0]=3 9906 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,1,0,0,0,0|1,0,1]=4 9907 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,1,0,0,0,0|1,0,0]=3 9908 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,1,0,0,0,0|1,0,1]=4 9909 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,1,0,0,0,0|1,0,0]=3 9910 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,1,0,0,0,0|1,0,0]=3 9911 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,1,0,0,0,0|1,0,0]=3 9912 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|1,0,0]=3 9913 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [1,1,0,0,0,0|2,0,0]=4 9914 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [1,1,0,0,0,0|1,0,1]=4 9915 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,1,0,0,0,0|1,0,0]=3 9916 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,1,0,0,0,0|1,0,0]=3 9917 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,1,0,0,0,0|1,0,0]=3 9918 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,1,0,0,0,0|1,0,0]=3 9919 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,1,0,0,0,0|1,0,0]=3 9920 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|1,0,0]=3 9921 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|1,0,0]=3 9922 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [1,1,0,0,0,0|2,0,0]=4 9923 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [1,1,0,0,0,0|2,0,0]=4 9924 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [1,1,0,0,0,0|2,0,0]=4 9925 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,1,0,0,0,0|1,0,0]=3 9926 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,1,0,0,0,0|1,0,0]=3 9927 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|1,0,0]=3 9928 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|1,0,0]=3 9929 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,1,0,0,0,0|1,0,0]=3 9930 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,1,0,0,0,0|1,0,0]=3 9931 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|1,0,0]=3 9932 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|1,0,0]=3 9933 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [1,1,0,0,0,0|2,0,0]=4 9934 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [1,1,0,0,0,0|2,0,0]=4 9935 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|1,0,0]=3 9936 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|1,0,0]=3 9937 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [1,1,0,0,0,0|1,0,1]=4 9938 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|1,0,0]=3 9939 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|1,0,0]=3 9940 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|1,0,0]=3 9941 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,1,0,0,0,0|1,0,0]=3 9942 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,1,0,0,0,0|1,0,0]=3 9943 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [1,1,0,0,0,0|2,0,0]=4 9944 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [1,1,0,0,0,0|2,0,0]=4 9945 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [1,1,0,0,0,0|1,0,1]=4 9946 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,1,0,0,0,0|1,0,0]=3 9947 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,1,0,0,0,0|1,0,0]=3 9948 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|1,0,0]=3 9949 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|1,0,0]=3 9950 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [1,1,0,0,0,0|2,0,0]=4 9951 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [1,1,0,0,0,0|2,0,0]=4 9952 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [1,1,0,0,0,0|2,0,0]=4 9953 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,1,0,0,0,0|1,0,0]=3 9954 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|1,0,0]=3 9955 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [1,1,0,0,0,0|2,0,0]=4 9956 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [1,1,0,0,0,0|2,0,0]=4 9957 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [1,1,0,0,0,0|2,0,0]=4 9958 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [1,1,0,0,0,0|2,0,0]=4 9959 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 9960 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 9961 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 9962 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [1,1,0,0,0,0|2,0,0]=4 9963 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [1,1,0,0,0,0|2,0,0]=4 9964 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [1,1,0,0,0,0|2,0,0]=4 9965 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [1,1,0,0,0,0|2,0,0]=4 9966 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [1,1,0,0,0,0|2,0,0]=4 9967 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [1,1,0,0,0,0|2,0,0]=4 9968 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [1,1,0,0,0,0|2,0,0]=4 9969 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [1,1,0,0,0,0|2,0,0]=4 9970 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [1,1,0,0,0,0|2,0,0]=4 9971 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [1,1,0,0,0,0|2,0,0]=4 9972 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [1,1,0,0,0,0|2,0,0]=4 9973 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [1,1,0,0,0,0|2,0,0]=4 9974 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [1,1,0,0,0,0|2,0,0]=4 9975 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [1,1,0,0,0,0|2,0,0]=4 9976 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [1,1,0,0,0,0|2,0,0]=4 9977 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [1,1,0,0,0,0|2,0,0]=4 9978 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [1,1,0,0,0,0|2,0,0]=4 9979 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [1,1,0,0,0,0|2,0,0]=4 9980 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [1,1,0,0,0,0|2,0,0]=4 9981 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [1,1,0,0,0,0|2,0,0]=4 9982 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [1,1,0,0,0,0|2,0,0]=4 9983 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [1,1,0,0,0,0|2,0,0]=4 9984 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [1,1,0,0,0,0|2,0,0]=4 9985 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [1,1,0,0,0,0|2,0,0]=4 9986 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [1,1,0,0,0,0|2,0,0]=4 9987 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [1,1,0,0,0,0|2,0,0]=4 9988 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [1,1,0,0,0,0|2,0,0]=4 9989 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [1,1,0,0,0,0|2,0,0]=4 9990 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [1,1,0,0,0,0|2,0,0]=4 9991 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [1,1,0,0,0,0|2,0,0]=4 9992 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [1,1,0,0,0,0|2,0,0]=4 9993 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [1,1,0,0,0,0|2,0,0]=4 9994 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [1,1,0,0,0,0|2,0,0]=4 9995 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [1,1,0,0,0,0|2,0,0]=4 9996 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [1,1,0,0,0,0|2,0,0]=4 9997 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [1,1,0,0,0,0|2,0,0]=4 9998 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [1,1,0,0,0,0|2,0,0]=4 9999 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [1,1,0,0,0,0|2,0,0]=4 10000 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [1,1,0,0,0,0|2,0,0]=4 10001 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [1,1,0,0,0,0|2,0,0]=4 10002 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [1,1,0,0,0,0|2,0,0]=4 10003 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [1,1,0,0,0,0|2,0,0]=4 10004 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [1,1,0,0,0,0|2,0,0]=4 10005 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [1,1,0,0,0,0|2,0,0]=4 10006 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [1,1,0,0,0,0|2,0,0]=4 10007 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [1,1,0,0,0,0|2,0,0]=4 10008 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [1,1,0,0,0,0|2,0,0]=4 10009 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [1,1,0,0,0,0|2,0,0]=4 10010 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [1,1,0,0,0,0|2,0,0]=4 10011 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [1,1,0,0,0,0|2,0,0]=4 10012 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|0,0,0]=2 10013 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 10014 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 10015 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [1,1,0,0,0,0|2,0,0]=4 10016 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [1,1,0,0,0,0|2,0,0]=4 10017 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [1,1,0,0,0,0|2,0,0]=4 10018 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|2,0,0]=4 10019 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [1,1,0,0,0,0|2,0,0]=4 10020 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [1,1,0,0,0,0|2,0,0]=4 10021 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [1,1,0,0,0,0|2,0,0]=4 10022 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [1,1,0,0,0,0|2,0,0]=4 10023 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [1,1,0,0,0,0|2,0,0]=4 10024 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [1,1,0,0,0,0|2,0,0]=4 10025 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [1,1,0,0,0,0|2,0,0]=4 10026 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [1,1,0,0,0,0|2,0,0]=4 10027 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [1,1,0,0,0,0|2,0,0]=4 10028 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [1,1,0,0,0,0|2,0,0]=4 10029 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [1,1,0,0,0,0|2,0,0]=4 10030 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [1,1,0,0,0,0|2,0,0]=4 10031 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [1,1,0,0,0,0|2,0,0]=4 10032 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [1,1,0,0,0,0|2,0,0]=4 10033 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [1,1,0,0,0,0|2,0,0]=4 10034 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [1,1,0,0,0,0|2,0,0]=4 10035 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [1,1,0,0,0,0|2,0,0]=4 10036 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [1,1,0,0,0,0|2,0,0]=4 10037 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [1,1,0,0,0,0|2,0,0]=4 10038 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [1,1,0,0,0,0|2,0,0]=4 10039 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [1,1,0,0,0,0|2,0,0]=4 10040 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [1,1,0,0,0,0|2,0,0]=4 10041 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,1,0,0,0,0|2,0,0]=4 10042 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [1,1,0,0,0,0|2,0,0]=4 10043 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [1,1,0,0,0,0|2,0,0]=4 10044 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [1,1,0,0,0,0|2,0,0]=4 10045 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [1,1,0,0,0,0|2,0,0]=4 10046 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,1,0,0,0,0|2,0,0]=4 10047 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [1,1,0,0,0,0|2,0,0]=4 10048 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [1,1,0,0,0,0|2,0,0]=4 10049 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [1,1,0,0,0,0|2,0,0]=4 10050 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [1,1,0,0,0,0|2,0,0]=4 10051 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [1,1,0,0,0,0|2,0,0]=4 10052 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [1,1,0,0,0,0|2,0,0]=4 10053 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [1,1,0,0,0,0|2,0,0]=4 10054 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [1,1,0,0,0,0|2,0,0]=4 10055 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [1,1,0,0,0,0|2,0,0]=4 10056 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [1,1,0,0,0,0|2,0,0]=4 10057 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [1,1,0,0,0,0|2,0,0]=4 10058 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [1,1,0,0,0,0|2,0,0]=4 10059 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [1,1,0,0,0,0|2,0,0]=4 10060 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [1,1,0,0,0,0|2,0,0]=4 10061 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,1,0,0,0,0|2,0,0]=4 10062 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,1,0,0,0,0|2,0,0]=4 10063 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [1,1,0,0,0,0|2,0,0]=4 10064 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [1,1,0,0,0,0|2,0,0]=4 10065 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [1,1,0,0,0,0|2,0,0]=4 10066 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [1,1,0,0,0,0|2,0,0]=4 10067 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [1,1,0,0,0,0|2,0,0]=4 10068 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [1,1,0,0,0,0|2,0,0]=4 10069 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [1,1,0,0,0,0|2,0,0]=4 10070 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [1,1,0,0,0,0|2,0,0]=4 10071 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [1,1,0,0,0,0|1,0,1]=4 10072 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [1,1,0,0,0,0|1,0,1]=4 10073 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [1,1,0,0,0,0|1,0,1]=4 10074 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [1,1,0,0,0,0|1,0,1]=4 10075 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [1,1,0,0,0,0|1,0,1]=4 10076 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [1,1,0,0,0,0|1,0,1]=4 10077 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [1,1,0,0,0,0|1,0,1]=4 10078 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [1,1,0,0,0,0|1,0,1]=4 10079 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|0,0,2]=4 10080 B10R0.1 CC/C=C\CCN(C)CCC 2230a_100000747261_100015370543 [1,1,0,0,0,0|1,0,1]=4 10081 B10R0.1 CC/C=C\CCN(C)CCC 269982a_100000747261_100015370543 [1,1,0,0,0,0|1,0,1]=4 10082 B10R0.1 CC/C=C\CNC(C)CCC 2230a_100000741246_100103147603 [1,1,0,0,0,0|1,0,1]=4 10083 B10R0.1 CC/C=C\COC(C)CCC 34a_100000764384_100103147603 [1,1,0,0,0,0|1,0,1]=4 10084 B10R0.1 CC/C=C\COC(C)CCC 34a_100016268518_100000766640 [1,1,0,0,0,0|1,0,1]=4 10085 B10R0.1 CC/C=C\COC(C)CCC 7a_100000764384_100103147603 [1,1,0,0,0,0|1,0,1]=4 10086 B10R0.1 CC/C=C\CSC(C)CCC 62a_100000766640_100103147603 [1,1,0,0,0,0|1,0,1]=4 10087 B10R0.1 CC/C=C\CSC(C)CCC 62a_100103147603_100000766640 [1,1,0,0,0,0|1,0,1]=4 10088 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|0,0,2]=4 10089 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [1,1,0,0,0,0|1,0,1]=4 10090 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [1,1,0,0,0,0|1,0,1]=4 10091 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [1,1,0,0,0,0|1,0,1]=4 10092 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [1,1,0,0,0,0|1,0,1]=4 10093 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [1,1,0,0,0,0|1,0,1]=4 10094 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|1,0,1]=4 10095 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|1,0,0]=3 10096 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|1,0,0]=3 10097 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 10098 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [1,1,0,0,0,0|2,0,0]=4 10099 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [1,1,0,0,0,0|2,0,0]=4 10100 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [1,1,0,0,0,0|2,0,0]=4 10101 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [1,1,0,0,0,0|2,0,0]=4 10102 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [1,1,0,0,0,0|2,0,0]=4 10103 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [1,1,0,0,0,0|2,0,0]=4 10104 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [1,1,0,0,0,0|2,0,0]=4 10105 B10R0.1 CCCC(C)NCCSCC 2230a_100000106463_100000766640 [1,1,0,0,0,0|2,0,0]=4 10106 B10R0.1 CCCC(C)NCCSCC 2230a_100000741246_100000757381 [1,1,0,0,0,0|2,0,0]=4 10107 B10R0.1 CCCC(C)NCCSCC 270004a_100000106463_100000211909 [1,1,0,0,0,0|2,0,0]=4 10108 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|2,0,0]=4 10109 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|2,0,0]=4 10110 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|2,0,0]=4 10111 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|2,0,0]=4 10112 B10R0.1 CCCC(C)OCCSCC 34a_100000212035_100000766640 [1,1,0,0,0,0|2,0,0]=4 10113 B10R0.1 CCCC(C)OCCSCC 34a_100000764384_100000757381 [1,1,0,0,0,0|2,0,0]=4 10114 B10R0.1 CCCC(C)OCCSCC 7a_100000212035_100000766640 [1,1,0,0,0,0|2,0,0]=4 10115 B10R0.1 CCCC(C)OCCSCC 7a_100000764384_100000757381 [1,1,0,0,0,0|2,0,0]=4 10116 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [1,1,0,0,0,0|2,0,0]=4 10117 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [1,1,0,0,0,0|2,0,0]=4 10118 B10R0.1 CCCC(C)SCCSCC 62a_100000757381_100000766640 [1,1,0,0,0,0|2,0,0]=4 10119 B10R0.1 CCCC(C)SCCSCC 62a_100000766640_100000757381 [1,1,0,0,0,0|2,0,0]=4 10120 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|0,0,2]=4 10121 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|0,0,2]=4 10122 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 10123 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 10124 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 10125 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [1,1,0,0,0,0|1,0,0]=3 10126 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [1,1,0,0,0,0|1,0,0]=3 10127 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [1,1,0,0,0,0|1,0,0]=3 10128 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [1,1,0,0,0,0|1,0,0]=3 10129 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [1,1,0,0,0,0|2,0,0]=4 10130 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|1,0,0]=3 10131 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|1,0,0]=3 10132 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|1,0,0]=3 10133 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 10134 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [1,1,0,0,0,0|2,0,0]=4 10135 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [1,1,0,0,0,0|1,0,0]=3 10136 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [1,1,0,0,0,0|1,0,0]=3 10137 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [1,1,0,0,0,0|2,0,0]=4 10138 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [1,1,0,0,0,0|2,0,0]=4 10139 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [1,1,0,0,0,0|1,0,1]=4 10140 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [1,1,0,0,0,0|1,0,1]=4 10141 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [1,1,0,0,0,0|1,0,1]=4 10142 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [1,1,0,0,0,0|1,0,1]=4 10143 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [1,1,0,0,0,0|1,0,1]=4 10144 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [1,1,0,0,0,0|1,0,1]=4 10145 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [1,1,0,0,0,0|1,0,1]=4 10146 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 10147 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,1,0,0,0,0|1,0,1]=4 10148 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 10149 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,1,0,0,0,0|1,0,1]=4 10150 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [1,1,0,0,0,0|1,0,1]=4 10151 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [1,1,0,0,0,0|1,0,1]=4 10152 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [1,1,0,0,0,0|1,0,1]=4 10153 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [1,1,0,0,0,0|1,0,1]=4 10154 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [1,1,0,0,0,0|1,0,1]=4 10155 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 10156 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [1,1,0,0,0,0|1,0,1]=4 10157 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 10158 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [1,1,0,0,0,0|1,0,1]=4 10159 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [1,1,0,0,0,0|2,0,0]=4 10160 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [1,1,0,0,0,0|2,0,0]=4 10161 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|1,0,1]=4 10162 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [1,1,0,0,0,0|1,0,1]=4 10163 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [1,1,0,0,0,0|1,0,1]=4 10164 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 10165 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 10166 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 10167 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 10168 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [1,1,0,0,0,0|1,0,1]=4 10169 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,1,0,0,0,0|1,0,1]=4 10170 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,1,0,0,0,0|1,0,1]=4 10171 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,1,0,0,0,0|1,0,1]=4 10172 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,1,0,0,0,0|1,0,1]=4 10173 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,1,0,0,0,0|1,0,1]=4 10174 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,1,0,0,0,0|1,0,1]=4 10175 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,1,0,0,0,0|1,0,1]=4 10176 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,1,0,0,0,0|1,0,1]=4 10177 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,1,0,0,0,0|1,0,1]=4 10178 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,1,0,0,0,0|1,0,1]=4 10179 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,1,0,0,0,0|1,0,1]=4 10180 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,1,0,0,0,0|1,0,1]=4 10181 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|0,0,1]=3 10182 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,1,0,0,0,0|1,0,1]=4 10183 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,1,0,0,0,0|1,0,1]=4 10184 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,1,0,0,0,0|1,0,1]=4 10185 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,1,0,0,0,0|1,0,1]=4 10186 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,1,0,0,0,0|1,0,1]=4 10187 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,1,0,0,0,0|1,0,1]=4 10188 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,1,0,0,0,0|1,0,1]=4 10189 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,1,0,0,0,0|1,0,1]=4 10190 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,1,0,0,0,0|1,0,1]=4 10191 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,1,0,0,0,0|1,0,1]=4 10192 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|0,0,1]=3 10193 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|0,0,1]=3 10194 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|0,0,1]=3 10195 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,1,0,0,0,0|1,0,1]=4 10196 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,1,0,0,0,0|1,0,1]=4 10197 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,1,0,0,0,0|1,0,1]=4 10198 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,1,0,0,0,0|1,0,1]=4 10199 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,1,0,0,0,0|1,0,1]=4 10200 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,1,0,0,0,0|1,0,1]=4 10201 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,1,0,0,0,0|1,0,1]=4 10202 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,1,0,0,0,0|1,0,1]=4 10203 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,1,0,0,0,0|1,0,1]=4 10204 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,1,0,0,0,0|1,0,1]=4 10205 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,1,0,0,0,0|1,0,1]=4 10206 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,1,0,0,0,0|1,0,1]=4 10207 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,1,0,0,0,0|1,0,1]=4 10208 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,1,0,0,0,0|1,0,1]=4 10209 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,1,0,0,0,0|1,0,1]=4 10210 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,1,0,0,0,0|1,0,1]=4 10211 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,1,0,0,0,0|1,0,1]=4 10212 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,1,0,0,0,0|1,0,1]=4 10213 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,1,0,0,0,0|1,0,1]=4 10214 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,1,0,0,0,0|1,0,1]=4 10215 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,1,0,0,0,0|1,0,1]=4 10216 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,1,0,0,0,0|1,0,1]=4 10217 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|0,0,1]=3 10218 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|0,0,1]=3 10219 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,1,0,0,0,0|1,0,1]=4 10220 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,1,0,0,0,0|1,0,1]=4 10221 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,1,0,0,0,0|1,0,1]=4 10222 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,1,0,0,0,0|1,0,1]=4 10223 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,1,0,0,0,0|1,0,1]=4 10224 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,1,0,0,0,0|1,0,1]=4 10225 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,1,0,0,0,0|1,0,1]=4 10226 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,1,0,0,0,0|1,0,1]=4 10227 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,1,0,0,0,0|1,0,1]=4 10228 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,1,0,0,0,0|1,0,1]=4 10229 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,1,0,0,0,0|1,0,1]=4 10230 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,1,0,0,0,0|1,0,1]=4 10231 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,1,0,0,0,0|1,0,1]=4 10232 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,1,0,0,0,0|1,0,1]=4 10233 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,1,0,0,0,0|1,0,1]=4 10234 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,1,0,0,0,0|1,0,1]=4 10235 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,1,0,0,0,0|1,0,1]=4 10236 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,1,0,0,0,0|1,0,1]=4 10237 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,1,0,0,0,0|1,0,1]=4 10238 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,1,0,0,0,0|1,0,1]=4 10239 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,1,0,0,0,0|1,0,1]=4 10240 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,1,0,0,0,0|1,0,1]=4 10241 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,1,0,0,0,0|1,0,1]=4 10242 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,1,0,0,0,0|1,0,1]=4 10243 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,1,0,0,0,0|1,0,1]=4 10244 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,1,0,0,0,0|0,0,2]=4 10245 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,1,0,0,0,0|0,0,2]=4 10246 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,1,0,0,0,0|0,0,2]=4 10247 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,1,0,0,0,0|0,0,2]=4 10248 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,1,0,0,0,0|0,0,2]=4 10249 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,1,0,0,0,0|0,0,2]=4 10250 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,1,0,0,0,0|0,0,2]=4 10251 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,1,0,0,0,0|0,0,2]=4 10252 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,1,0,0,0,0|0,0,2]=4 10253 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|0,0,1]=3 10254 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|0,0,1]=3 10255 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [1,1,0,0,0,0|1,0,1]=4 10256 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [1,1,0,0,0,0|1,0,1]=4 10257 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,1,0,0,0,0|1,0,1]=4 10258 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,1,0,0,0,0|1,0,1]=4 10259 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [1,1,0,0,0,0|1,0,1]=4 10260 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|0,0,1]=3 10261 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|0,0,1]=3 10262 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|0,0,1]=3 10263 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|0,0,1]=3 10264 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|0,0,1]=3 10265 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|0,0,1]=3 10266 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|0,0,1]=3 10267 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [1,1,0,0,0,0|1,0,1]=4 10268 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [1,1,0,0,0,0|1,0,1]=4 10269 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|0,0,1]=3 10270 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|0,0,1]=3 10271 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [1,1,0,0,0,0|1,0,1]=4 10272 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [1,1,0,0,0,0|1,0,1]=4 10273 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [1,1,0,0,0,0|1,0,1]=4 10274 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [1,1,0,0,0,0|1,0,1]=4 10275 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [1,1,0,0,0,0|1,0,1]=4 10276 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|0,0,1]=3 10277 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|0,0,1]=3 10278 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|0,0,1]=3 10279 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|0,0,1]=3 10280 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [1,1,0,0,0,0|1,0,1]=4 10281 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [1,1,0,0,0,0|1,0,1]=4 10282 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [1,1,0,0,0,0|1,0,1]=4 10283 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [1,1,0,0,0,0|1,0,1]=4 10284 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [1,1,0,0,0,0|1,0,1]=4 10285 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,1,0,0,0,0|1,0,1]=4 10286 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,1,0,0,0,0|1,0,1]=4 10287 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [1,1,0,0,0,0|1,0,1]=4 10288 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [1,1,0,0,0,0|1,0,1]=4 10289 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [1,1,0,0,0,0|1,0,1]=4 10290 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [1,1,0,0,0,0|1,0,1]=4 10291 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [1,1,0,0,0,0|1,0,1]=4 10292 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [1,1,0,0,0,0|1,0,1]=4 10293 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [1,1,0,0,0,0|1,0,1]=4 10294 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|0,0,1]=3 10295 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|0,0,1]=3 10296 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [1,1,0,0,0,0|1,0,1]=4 10297 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [1,1,0,0,0,0|1,0,1]=4 10298 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,1,0,0,0,0|1,0,1]=4 10299 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,1,0,0,0,0|1,0,1]=4 10300 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [1,1,0,0,0,0|1,0,1]=4 10301 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [1,1,0,0,0,0|1,0,1]=4 10302 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [1,1,0,0,0,0|1,0,1]=4 10303 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [1,1,0,0,0,0|1,0,1]=4 10304 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [1,1,0,0,0,0|1,0,1]=4 10305 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [1,1,0,0,0,0|1,0,1]=4 10306 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|0,0,1]=3 10307 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [1,1,0,0,0,0|1,0,1]=4 10308 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [1,1,0,0,0,0|1,0,1]=4 10309 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [1,1,0,0,0,0|1,0,1]=4 10310 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [1,1,0,0,0,0|1,0,1]=4 10311 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [1,1,0,0,0,0|1,0,1]=4 10312 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [1,1,0,0,0,0|1,0,1]=4 10313 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [1,1,0,0,0,0|1,0,1]=4 10314 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [1,1,0,0,0,0|1,0,1]=4 10315 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|0,0,1]=3 10316 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|0,0,1]=3 10317 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|0,0,1]=3 10318 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [1,1,0,0,0,0|1,0,1]=4 10319 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [1,1,0,0,0,0|1,0,1]=4 10320 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [1,1,0,0,0,0|1,0,1]=4 10321 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [1,1,0,0,0,0|1,0,1]=4 10322 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [1,1,0,0,0,0|1,0,1]=4 10323 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [1,1,0,0,0,0|1,0,1]=4 10324 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [1,1,0,0,0,0|1,0,1]=4 10325 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [1,1,0,0,0,0|1,0,1]=4 10326 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [1,1,0,0,0,0|1,0,1]=4 10327 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [1,1,0,0,0,0|1,0,1]=4 10328 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [1,1,0,0,0,0|1,0,1]=4 10329 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [1,1,0,0,0,0|1,0,1]=4 10330 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [1,1,0,0,0,0|1,0,1]=4 10331 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [1,1,0,0,0,0|1,0,1]=4 10332 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [1,1,0,0,0,0|1,0,1]=4 10333 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [1,1,0,0,0,0|1,0,1]=4 10334 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [1,1,0,0,0,0|1,0,1]=4 10335 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [1,1,0,0,0,0|1,0,1]=4 10336 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [1,1,0,0,0,0|1,0,1]=4 10337 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|0,0,1]=3 10338 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|0,0,1]=3 10339 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [1,1,0,0,0,0|1,0,1]=4 10340 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [1,1,0,0,0,0|1,0,1]=4 10341 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [1,1,0,0,0,0|1,0,1]=4 10342 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [1,1,0,0,0,0|1,0,1]=4 10343 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [1,1,0,0,0,0|1,0,1]=4 10344 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [1,1,0,0,0,0|1,0,1]=4 10345 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [1,1,0,0,0,0|1,0,1]=4 10346 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [1,1,0,0,0,0|1,0,1]=4 10347 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [1,1,0,0,0,0|1,0,1]=4 10348 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [1,1,0,0,0,0|1,0,1]=4 10349 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,1,0,0,0,0|1,0,1]=4 10350 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|0,0,1]=3 10351 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,1,0,0,0,0|1,0,1]=4 10352 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,1,0,0,0,0|1,0,1]=4 10353 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,1,0,0,0,0|1,0,1]=4 10354 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,1,0,0,0,0|1,0,1]=4 10355 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|0,0,1]=3 10356 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,1,0,0,0,0|1,0,1]=4 10357 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,1,0,0,0,0|1,0,1]=4 10358 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,1,0,0,0,0|1,0,1]=4 10359 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,1,0,0,0,0|1,0,1]=4 10360 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,1,0,0,0,0|1,0,1]=4 10361 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,1,0,0,0,0|1,0,1]=4 10362 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,1,0,0,0,0|1,0,1]=4 10363 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,1,0,0,0,0|1,0,1]=4 10364 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,1,0,0,0,0|1,0,1]=4 10365 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|0,0,1]=3 10366 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|0,0,1]=3 10367 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,1,0,0,0,0|1,0,1]=4 10368 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,1,0,0,0,0|1,0,1]=4 10369 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,1,0,0,0,0|1,0,1]=4 10370 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,1,0,0,0,0|1,0,1]=4 10371 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,1,0,0,0,0|1,0,1]=4 10372 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,1,0,0,0,0|1,0,1]=4 10373 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,1,0,0,0,0|1,0,1]=4 10374 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,1,0,0,0,0|1,0,1]=4 10375 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,1,0,0,0,0|1,0,1]=4 10376 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,1,0,0,0,0|1,0,1]=4 10377 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,1,0,0,0,0|1,0,1]=4 10378 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,1,0,0,0,0|1,0,1]=4 10379 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,1,0,0,0,0|1,0,1]=4 10380 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,1,0,0,0,0|1,0,1]=4 10381 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,1,0,0,0,0|1,0,1]=4 10382 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,1,0,0,0,0|1,0,1]=4 10383 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|0,0,1]=3 10384 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|0,0,1]=3 10385 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,1,0,0,0,0|1,0,1]=4 10386 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,1,0,0,0,0|1,0,1]=4 10387 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,1,0,0,0,0|1,0,1]=4 10388 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,1,0,0,0,0|1,0,1]=4 10389 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,1,0,0,0,0|1,0,1]=4 10390 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,1,0,0,0,0|1,0,1]=4 10391 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,1,0,0,0,0|1,0,1]=4 10392 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,1,0,0,0,0|1,0,1]=4 10393 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,1,0,0,0,0|1,0,1]=4 10394 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,1,0,0,0,0|1,0,1]=4 10395 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,1,0,0,0,0|1,0,1]=4 10396 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,1,0,0,0,0|1,0,1]=4 10397 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,1,0,0,0,0|0,0,2]=4 10398 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,1,0,0,0,0|0,0,2]=4 10399 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [1,1,0,0,0,0|0,0,2]=4 10400 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [1,1,0,0,0,0|0,0,2]=4 10401 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [1,1,0,0,0,0|0,0,2]=4 10402 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [1,1,0,0,0,0|0,0,2]=4 10403 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [1,1,0,0,0,0|0,0,2]=4 10404 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [1,1,0,0,0,0|0,0,2]=4 10405 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,1,0,0,0,0|1,0,1]=4 10406 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,1,0,0,0,0|1,0,1]=4 10407 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,1,0,0,0,0|1,0,1]=4 10408 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,1,0,0,0,0|1,0,1]=4 10409 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,1,0,0,0,0|2,0,0]=4 10410 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [1,1,0,0,0,0|1,0,1]=4 10411 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [1,1,0,0,0,0|1,0,1]=4 10412 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,1,0,0,0,0|1,0,1]=4 10413 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,1,0,0,0,0|1,0,1]=4 10414 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [1,1,0,0,0,0|1,0,1]=4 10415 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,1,0,0,0,0|1,0,1]=4 10416 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,1,0,0,0,0|1,0,1]=4 10417 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,1,0,0,0,0|1,0,1]=4 10418 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [1,1,0,0,0,0|1,0,1]=4 10419 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [1,1,0,0,0,0|1,0,1]=4 10420 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|0,0,1]=3 10421 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|0,0,1]=3 10422 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|0,0,1]=3 10423 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|0,0,1]=3 10424 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,1,0,0,0,0|0,0,2]=4 10425 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,1,0,0,0,0|0,0,2]=4 10426 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,1,0,0,0,0|0,0,2]=4 10427 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,1,0,0,0,0|0,0,2]=4 10428 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,1,0,0,0,0|1,0,1]=4 10429 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|0,0,1]=3 10430 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|0,0,1]=3 10431 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|0,0,1]=3 10432 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|0,0,1]=3 10433 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|0,0,1]=3 10434 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|0,0,1]=3 10435 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|0,0,1]=3 10436 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|0,0,1]=3 10437 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|0,0,1]=3 10438 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|0,0,1]=3 10439 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|0,0,1]=3 10440 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|0,0,1]=3 10441 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|0,0,1]=3 10442 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|0,0,1]=3 10443 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|0,0,1]=3 10444 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|0,0,1]=3 10445 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|0,0,1]=3 10446 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,1,0,0,0,0|1,0,1]=4 10447 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|0,0,1]=3 10448 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|0,0,1]=3 10449 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|0,0,1]=3 10450 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 10451 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 10452 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|0,0,1]=3 10453 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|0,0,1]=3 10454 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,1,0,0,0,0|1,0,1]=4 10455 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,1,0,0,0,0|1,0,1]=4 10456 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,1,0,0,0,0|1,0,1]=4 10457 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,1,0,0,0,0|1,0,1]=4 10458 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|0,0,1]=3 10459 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,1,0,0,0,0|1,0,0]=3 10460 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,1,0,0,0,0|1,0,0]=3 10461 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|1,0,0]=3 10462 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|1,0,0]=3 10463 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|1,0,0]=3 10464 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|1,0,0]=3 10465 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,1,0,0,0,0|1,0,0]=3 10466 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,1,0,0,0,0|1,0,1]=4 10467 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|1,0,1]=4 10468 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|1,0,1]=4 10469 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|1,0,0]=3 10470 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|0,0,1]=3 10471 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|0,0,1]=3 10472 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|0,0,1]=3 10473 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|1,0,0]=3 10474 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|1,0,0]=3 10475 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|1,0,0]=3 10476 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|1,0,0]=3 10477 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|1,0,0]=3 10478 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|1,0,0]=3 10479 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,1,0,0,0,0|1,0,1]=4 10480 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,1,0,0,0,0|1,0,1]=4 10481 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,1,0,0,0,0|1,0,1]=4 10482 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,1,0,0,0,0|1,0,1]=4 10483 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|0,0,1]=3 10484 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|0,0,1]=3 10485 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,1,0,0,0,0|1,0,0]=3 10486 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,1,0,0,0,0|1,0,0]=3 10487 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|1,0,0]=3 10488 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|1,0,0]=3 10489 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|1,0,0]=3 10490 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|1,0,0]=3 10491 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,1,0,0,0,0|1,0,0]=3 10492 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,1,0,0,0,0|1,0,0]=3 10493 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|0,0,1]=3 10494 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|0,0,1]=3 10495 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|0,0,1]=3 10496 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,1,0,0,0,0|1,0,1]=4 10497 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,1,0,0,0,0|1,0,1]=4 10498 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,1,0,0,0,0|1,0,1]=4 10499 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|1,0,1]=4 10500 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|1,0,1]=4 10501 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|1,0,1]=4 10502 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|1,0,1]=4 10503 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|1,0,1]=4 10504 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,1,0,0,0,0|1,0,1]=4 10505 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|0,0,1]=3 10506 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|0,0,1]=3 10507 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|0,0,1]=3 10508 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|0,0,1]=3 10509 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,1,0,0,0,0|1,0,1]=4 10510 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,1,0,0,0,0|1,0,1]=4 10511 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,1,0,0,0,0|1,0,1]=4 10512 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,1,0,0,0,0|1,0,1]=4 10513 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,1,0,0,0,0|1,0,1]=4 10514 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|1,0,1]=4 10515 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|1,0,1]=4 10516 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|1,0,1]=4 10517 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|1,0,1]=4 10518 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|1,0,1]=4 10519 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|1,0,1]=4 10520 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|1,0,1]=4 10521 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|1,0,1]=4 10522 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|1,0,1]=4 10523 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|1,0,1]=4 10524 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|1,0,1]=4 10525 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|1,0,1]=4 10526 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|1,0,1]=4 10527 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|0,0,1]=3 10528 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|0,0,1]=3 10529 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,1,0,0,0,0|1,0,1]=4 10530 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,1,0,0,0,0|1,0,1]=4 10531 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|1,0,1]=4 10532 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|1,0,1]=4 10533 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|1,0,1]=4 10534 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|1,0,1]=4 10535 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|1,0,1]=4 10536 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|1,0,1]=4 10537 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,1,0,0,0,0|1,0,0]=3 10538 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,1,0,0,0,0|1,0,0]=3 10539 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|0,0,1]=3 10540 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,1,0,0,0,0|1,0,1]=4 10541 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,1,0,0,0,0|1,0,1]=4 10542 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,1,0,0,0,0|1,0,1]=4 10543 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,1]=4 10544 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|1,0,1]=4 10545 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|1,0,1]=4 10546 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|1,0,1]=4 10547 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,1,0,0,0,0|1,0,0]=3 10548 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,1,0,0,0,0|1,0,0]=3 10549 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,1,0,0,0,0|1,0,0]=3 10550 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,1,0,0,0,0|1,0,0]=3 10551 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,1,0,0,0,0|2,0,0]=4 10552 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,1,0,0,0,0|1,0,0]=3 10553 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,1,0,0,0,0|1,0,0]=3 10554 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,1,0,0,0,0|1,0,1]=4 10555 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|0,0,1]=3 10556 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|0,0,1]=3 10557 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,1,0,0,0,0|1,0,1]=4 10558 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,1,0,0,0,0|1,0,1]=4 10559 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,1,0,0,0,0|1,0,1]=4 10560 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,1,0,0,0,0|1,0,1]=4 10561 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,1,0,0,0,0|1,0,1]=4 10562 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,1,0,0,0,0|1,0,1]=4 10563 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,1,0,0,0,0|1,0,1]=4 10564 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,1]=4 10565 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,1,0,0,0,0|1,0,1]=4 10566 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,1,0,0,0,0|1,0,1]=4 10567 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|1,0,1]=4 10568 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|1,0,1]=4 10569 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|1,0,1]=4 10570 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|1,0,1]=4 10571 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|1,0,1]=4 10572 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|1,0,1]=4 10573 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,1,0,0,0,0|1,0,0]=3 10574 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,1,0,0,0,0|1,0,0]=3 10575 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,1,0,0,0,0|1,0,0]=3 10576 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,1,0,0,0,0|1,0,0]=3 10577 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,1,0,0,0,0|1,0,0]=3 10578 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,1,0,0,0,0|1,0,0]=3 10579 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,1,0,0,0,0|2,0,0]=4 10580 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,1,0,0,0,0|2,0,0]=4 10581 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,1,0,0,0,0|1,0,0]=3 10582 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,1,0,0,0,0|1,0,0]=3 10583 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,1,0,0,0,0|1,0,0]=3 10584 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,1,0,0,0,0|1,0,0]=3 10585 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|0,0,1]=3 10586 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,1,0,0,0,0|1,0,1]=4 10587 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,1,0,0,0,0|1,0,1]=4 10588 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,1,0,0,0,0|1,0,1]=4 10589 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,1,0,0,0,0|1,0,1]=4 10590 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|1,0,1]=4 10591 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|1,0,1]=4 10592 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,1,0,0,0,0|1,0,0]=3 10593 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,1,0,0,0,0|1,0,0]=3 10594 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,1,0,0,0,0|1,0,0]=3 10595 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,1,0,0,0,0|1,0,0]=3 10596 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,1,0,0,0,0|1,0,1]=4 10597 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,1,0,0,0,0|1,0,1]=4 10598 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,1,0,0,0,0|1,0,1]=4 10599 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,1,0,0,0,0|1,0,1]=4 10600 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,1]=4 10601 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,1,0,0,0,0|1,0,1]=4 10602 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|1,0,1]=4 10603 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|1,0,1]=4 10604 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|1,0,1]=4 10605 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|1,0,1]=4 10606 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,1,0,0,0,0|1,0,0]=3 10607 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,1,0,0,0,0|1,0,0]=3 10608 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,1,0,0,0,0|1,0,0]=3 10609 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,1,0,0,0,0|1,0,0]=3 10610 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,1,0,0,0,0|1,0,1]=4 10611 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,1,0,0,0,0|1,0,1]=4 10612 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,1,0,0,0,0|1,0,1]=4 10613 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,1,0,0,0,0|1,0,1]=4 10614 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,1,0,0,0,0|2,0,0]=4 10615 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,1,0,0,0,0|2,0,0]=4 10616 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,1,0,0,0,0|2,0,0]=4 10617 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,1,0,0,0,0|2,0,0]=4 10618 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,1,0,0,0,0|1,0,1]=4 10619 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,1,0,0,0,0|2,0,0]=4 10620 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,1,0,0,0,0|1,0,1]=4 10621 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,1,0,0,0,0|1,0,1]=4 10622 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,1,0,0,0,0|1,0,1]=4 10623 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,1,0,0,0,0|1,0,1]=4 10624 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,1,0,0,0,0|1,0,1]=4 10625 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,1,0,0,0,0|1,0,1]=4 10626 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,1,0,0,0,0|1,0,1]=4 10627 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,1,0,0,0,0|1,0,1]=4 10628 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,1,0,0,0,0|1,0,1]=4 10629 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,1]=4 10630 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,1,0,0,0,0|1,0,1]=4 10631 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,1,0,0,0,0|1,0,1]=4 10632 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|1,0,1]=4 10633 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|1,0,1]=4 10634 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|1,0,1]=4 10635 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|1,0,1]=4 10636 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|1,0,1]=4 10637 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|1,0,1]=4 10638 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|1,0,1]=4 10639 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|1,0,1]=4 10640 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|1,0,1]=4 10641 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,1,0,0,0,0|1,0,0]=3 10642 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,1,0,0,0,0|1,0,0]=3 10643 B10R0.71 CCCCOCCCNCF 34a_200000211371_100015361967 [1,1,0,0,0,0|2,0,0]=4 10644 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,1,0,0,0,0|1,0,0]=3 10645 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,1,0,0,0,0|1,0,0]=3 10646 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,1,0,0,0,0|1,0,0]=3 10647 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,1,0,0,0,0|1,0,0]=3 10648 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,1,0,0,0,0|1,0,0]=3 10649 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,1,0,0,0,0|1,0,0]=3 10650 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,1,0,0,0,0|2,0,0]=4 10651 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,1,0,0,0,0|2,0,0]=4 10652 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,1,0,0,0,0|1,0,0]=3 10653 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,1,0,0,0,0|1,0,0]=3 10654 B10R0.71 CCCCOCCNCCF 34a_100000724931_100000743108 [1,1,0,0,0,0|2,0,0]=4 10655 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,1,0,0,0,0|2,0,0]=4 10656 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,1,0,0,0,0|2,0,0]=4 10657 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,1,0,0,0,0|2,0,0]=4 10658 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,1,0,0,0,0|2,0,0]=4 10659 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,1,0,0,0,0|2,0,0]=4 10660 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,1,0,0,0,0|1,0,1]=4 10661 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,1,0,0,0,0|1,0,1]=4 10662 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,1,0,0,0,0|1,0,1]=4 10663 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,1,0,0,0,0|1,0,1]=4 10664 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,1,0,0,0,0|1,0,1]=4 10665 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,1,0,0,0,0|1,0,1]=4 10666 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,1,0,0,0,0|1,0,1]=4 10667 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,1,0,0,0,0|2,0,0]=4 10668 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,1,0,0,0,0|2,0,0]=4 10669 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,1,0,0,0,0|2,0,0]=4 10670 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,1,0,0,0,0|2,0,0]=4 10671 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,1,0,0,0,0|2,0,0]=4 10672 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,1,0,0,0,0|2,0,0]=4 10673 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,1,0,0,0,0|2,0,0]=4 10674 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,1,0,0,0,0|2,0,0]=4 10675 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,1,0,0,0,0|2,0,0]=4 10676 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,1,0,0,0,0|2,0,0]=4 10677 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,1,0,0,0,0|2,0,0]=4 10678 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,1,0,0,0,0|2,0,0]=4 10679 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,1,0,0,0,0|2,0,0]=4 10680 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,1,0,0,0,0|2,0,0]=4 10681 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,1,0,0,0,0|2,0,0]=4 10682 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,1,0,0,0,0|1,0,1]=4 10683 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,1,0,0,0,0|1,0,1]=4 10684 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,1,0,0,0,0|1,0,1]=4 10685 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,1,0,0,0,0|1,0,1]=4 10686 B10R0.71 CCCCOCCSCCF 62a_100000743108_100011217306 [1,1,0,0,0,0|2,0,0]=4 10687 B10R0.71 CCCCOCCSCCF 62a_100011217306_100000743108 [1,1,0,0,0,0|2,0,0]=4 10688 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,1,0,0,0,0|2,0,0]=4 10689 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,1,0,0,0,0|2,0,0]=4 10690 B10R0.71 CCCCOCCSCOC 62a_100000743108_100000766300 [1,1,0,0,0,0|2,0,0]=4 10691 B10R0.71 CCCCOCCSCOC 62a_100000766300_100000743108 [1,1,0,0,0,0|2,0,0]=4 10692 B10R0.71 CCCCOCCSCSC 62a_100000743108_100011218213 [1,1,0,0,0,0|2,0,0]=4 10693 B10R0.71 CCCCOCCSCSC 62a_100011218213_100000743108 [1,1,0,0,0,0|2,0,0]=4 10694 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,1,0,0,0,0|1,0,1]=4 10695 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,1,0,0,0,0|1,0,1]=4 10696 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,1,0,0,0,0|1,0,1]=4 10697 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,1,0,0,0,0|2,0,0]=4 10698 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,1,0,0,0,0|2,0,0]=4 10699 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,1,0,0,0,0|1,0,1]=4 10700 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,1,0,0,0,0|1,0,1]=4 10701 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,1,0,0,0,0|1,0,1]=4 10702 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,1,0,0,0,0|1,0,1]=4 10703 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|1,0,1]=4 10704 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|1,0,1]=4 10705 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,1,0,0,0,0|1,0,0]=3 10706 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,1,0,0,0,0|1,0,0]=3 10707 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,1,0,0,0,0|1,0,1]=4 10708 B10R0.71 CCCCSCCNCCF 2230a_100025743550_100011217306 [1,1,0,0,0,0|2,0,0]=4 10709 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,1,0,0,0,0|2,0,0]=4 10710 B10R0.71 CCCCSCCNCOC 2230a_100025743550_100000766300 [1,1,0,0,0,0|2,0,0]=4 10711 B10R0.71 CCCCSCCNCSC 2230a_100025743550_100011218213 [1,1,0,0,0,0|2,0,0]=4 10712 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,1,0,0,0,0|1,0,1]=4 10713 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,1,0,0,0,0|1,0,1]=4 10714 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,1,0,0,0,0|1,0,1]=4 10715 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,1,0,0,0,0|1,0,1]=4 10716 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [1,1,0,0,0,0|2,0,0]=4 10717 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [1,1,0,0,0,0|2,0,0]=4 10718 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,1,0,0,0,0|2,0,0]=4 10719 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,1,0,0,0,0|2,0,0]=4 10720 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,1,0,0,0,0|2,0,0]=4 10721 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,1,0,0,0,0|2,0,0]=4 10722 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [1,1,0,0,0,0|2,0,0]=4 10723 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 10724 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 10725 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|1,0,1]=4 10726 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|1,0,1]=4 10727 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,1,0,0,0,0|1,0,1]=4 10728 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,1,0,0,0,0|1,0,1]=4 10729 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 10730 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 10731 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 10732 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 10733 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|1,0,1]=4 10734 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 10735 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 10736 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 10737 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|1,0,1]=4 10738 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 10739 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [1,1,0,0,0,0|2,0,0]=4 10740 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [1,1,0,0,0,0|2,0,0]=4 10741 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,1,0,0,0,0|2,0,0]=4 10742 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,1,0,0,0,0|2,0,0]=4 10743 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [1,1,0,0,0,0|2,0,0]=4 10744 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [1,1,0,0,0,0|2,0,0]=4 10745 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [1,1,0,0,0,0|2,0,0]=4 10746 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,1,0,0,0,0|2,0,0]=4 10747 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,1,0,0,0,0|2,0,0]=4 10748 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,1,0,0,0,0|1,0,1]=4 10749 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,1,0,0,0,0|1,0,1]=4 10750 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|1,0,1]=4 10751 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 10752 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,1,0,0,0,0|1,0,1]=4 10753 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|1,0,0]=3 10754 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|1,0,0]=3 10755 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,0]=3 10756 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,1,0,0,0,0|1,0,0]=3 10757 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,1,0,0,0,0|2,0,0]=4 10758 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,1,0,0,0,0|2,0,0]=4 10759 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,1,0,0,0,0|2,0,0]=4 10760 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,1,0,0,0,0|2,0,0]=4 10761 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,1,0,0,0,0|2,0,0]=4 10762 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [1,1,0,0,0,0|2,0,0]=4 10763 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [1,1,0,0,0,0|2,0,0]=4 10764 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [1,1,0,0,0,0|2,0,0]=4 10765 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,1,0,0,0,0|1,0,0]=3 10766 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,1,0,0,0,0|1,0,0]=3 10767 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,0]=3 10768 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|1,0,0]=3 10769 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,1,0,0,0,0|1,0,0]=3 10770 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,1,0,0,0,0|1,0,0]=3 10771 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,1,0,0,0,0|1,0,0]=3 10772 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [1,1,0,0,0,0|2,0,0]=4 10773 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [1,1,0,0,0,0|2,0,0]=4 10774 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [1,1,0,0,0,0|2,0,0]=4 10775 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [1,1,0,0,0,0|2,0,0]=4 10776 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,1,0,0,0,0|2,0,0]=4 10777 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,1,0,0,0,0|2,0,0]=4 10778 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,1,0,0,0,0|2,0,0]=4 10779 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,1,0,0,0,0|2,0,0]=4 10780 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,1,0,0,0,0|2,0,0]=4 10781 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [1,1,0,0,0,0|2,0,0]=4 10782 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [1,1,0,0,0,0|2,0,0]=4 10783 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [1,1,0,0,0,0|2,0,0]=4 10784 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,1,0,0,0,0|2,0,0]=4 10785 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,1,0,0,0,0|2,0,0]=4 10786 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,1,0,0,0,0|2,0,0]=4 10787 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,1,0,0,0,0|2,0,0]=4 10788 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,1,0,0,0,0|2,0,0]=4 10789 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,1,0,0,0,0|2,0,0]=4 10790 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,1,0,0,0,0|2,0,0]=4 10791 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,1,0,0,0,0|2,0,0]=4 10792 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,1,0,0,0,0|2,0,0]=4 10793 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,1,0,0,0,0|2,0,0]=4 10794 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,1,0,0,0,0|2,0,0]=4 10795 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,1,0,0,0,0|2,0,0]=4 10796 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,1,0,0,0,0|2,0,0]=4 10797 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,1,0,0,0,0|2,0,0]=4 10798 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,1,0,0,0,0|2,0,0]=4 10799 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,1,0,0,0,0|2,0,0]=4 10800 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,1,0,0,0,0|2,0,0]=4 10801 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [1,1,0,0,0,0|2,0,0]=4 10802 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [1,1,0,0,0,0|2,0,0]=4 10803 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,1,0,0,0,0|2,0,0]=4 10804 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,1,0,0,0,0|2,0,0]=4 10805 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,1,0,0,0,0|2,0,0]=4 10806 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,1,0,0,0,0|2,0,0]=4 10807 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [1,1,0,0,0,0|2,0,0]=4 10808 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [1,1,0,0,0,0|2,0,0]=4 10809 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [1,1,0,0,0,0|2,0,0]=4 10810 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [1,1,0,0,0,0|2,0,0]=4 10811 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [1,1,0,0,0,0|2,0,0]=4 10812 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [1,1,0,0,0,0|2,0,0]=4 10813 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,1,0,0,0,0|2,0,0]=4 10814 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,1,0,0,0,0|2,0,0]=4 10815 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,1,0,0,0,0|2,0,0]=4 10816 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,1,0,0,0,0|2,0,0]=4 10817 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,1,0,0,0,0|2,0,0]=4 10818 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,1,0,0,0,0|2,0,0]=4 10819 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,1,0,0,0,0|2,0,0]=4 10820 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [1,1,0,0,0,0|2,0,0]=4 10821 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [1,1,0,0,0,0|2,0,0]=4 10822 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [1,1,0,0,0,0|2,0,0]=4 10823 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [1,1,0,0,0,0|2,0,0]=4 10824 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [1,1,0,0,0,0|2,0,0]=4 10825 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [1,1,0,0,0,0|2,0,0]=4 10826 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,1,0,0,0,0|2,0,0]=4 10827 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,1,0,0,0,0|2,0,0]=4 10828 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,1,0,0,0,0|2,0,0]=4 10829 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,1,0,0,0,0|2,0,0]=4 10830 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,1,0,0,0,0|2,0,0]=4 10831 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,1,0,0,0,0|2,0,0]=4 10832 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,1,0,0,0,0|2,0,0]=4 10833 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,1,0,0,0,0|2,0,0]=4 10834 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,1,0,0,0,0|2,0,0]=4 10835 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,1,0,0,0,0|2,0,0]=4 10836 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,1,0,0,0,0|2,0,0]=4 10837 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,1,0,0,0,0|2,0,0]=4 10838 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,1,0,0,0,0|2,0,0]=4 10839 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,1,0,0,0,0|2,0,0]=4 10840 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,1,0,0,0,0|2,0,0]=4 10841 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,1,0,0,0,0|2,0,0]=4 10842 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,1,0,0,0,0|2,0,0]=4 10843 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [1,1,0,0,0,0|2,0,0]=4 10844 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [1,1,0,0,0,0|2,0,0]=4 10845 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [1,1,0,0,0,0|2,0,0]=4 10846 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [1,1,0,0,0,0|2,0,0]=4 10847 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [1,1,0,0,0,0|2,0,0]=4 10848 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [1,1,0,0,0,0|2,0,0]=4 10849 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [1,1,0,0,0,0|2,0,0]=4 10850 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [1,1,0,0,0,0|2,0,0]=4 10851 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [1,1,0,0,0,0|2,0,0]=4 10852 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [1,1,0,0,0,0|2,0,0]=4 10853 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [1,1,0,0,0,0|2,0,0]=4 10854 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [1,1,0,0,0,0|2,0,0]=4 10855 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [1,1,0,0,0,0|2,0,0]=4 10856 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,1,0,0,0,0|2,0,0]=4 10857 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,1,0,0,0,0|2,0,0]=4 10858 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,1,0,0,0,0|2,0,0]=4 10859 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,1,0,0,0,0|2,0,0]=4 10860 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [1,1,0,0,0,0|2,0,0]=4 10861 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [1,1,0,0,0,0|2,0,0]=4 10862 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [1,1,0,0,0,0|2,0,0]=4 10863 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [1,1,0,0,0,0|2,0,0]=4 10864 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [1,1,0,0,0,0|2,0,0]=4 10865 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,1,0,0,0,0|2,0,0]=4 10866 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,1,0,0,0,0|2,0,0]=4 10867 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,1,0,0,0,0|2,0,0]=4 10868 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,1,0,0,0,0|2,0,0]=4 10869 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,1,0,0,0,0|1,0,1]=4 10870 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,1,0,0,0,0|1,0,1]=4 10871 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|1,0,0]=3 10872 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|1,0,0]=3 10873 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,1,0,0,0,0|1,0,0]=3 10874 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,1,0,0,0,0|1,0,0]=3 10875 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [1,1,0,0,0,0|2,0,0]=4 10876 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [1,1,0,0,0,0|2,0,0]=4 10877 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,1,0,0,0,0|2,0,0]=4 10878 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,1,0,0,0,0|2,0,0]=4 10879 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,1,0,0,0,0|2,0,0]=4 10880 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,1,0,0,0,0|2,0,0]=4 10881 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,1,0,0,0,0|2,0,0]=4 10882 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,1,0,0,0,0|2,0,0]=4 10883 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [1,1,0,0,0,0|2,0,0]=4 10884 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [1,1,0,0,0,0|2,0,0]=4 10885 B10R0.71 CCSCCNCCCCF 2230a_100000106463_100000729493 [1,1,0,0,0,0|2,0,0]=4 10886 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [1,1,0,0,0,0|2,0,0]=4 10887 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [1,1,0,0,0,0|2,0,0]=4 10888 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [1,1,0,0,0,0|2,0,0]=4 10889 B10R0.71 CCSCCNCCCOC 2230a_100000106463_100000740836 [1,1,0,0,0,0|2,0,0]=4 10890 B10R0.71 CCSCCNCCCOC 34a_100150723488_100000757381 [1,1,0,0,0,0|2,0,0]=4 10891 B10R0.71 CCSCCNCCCSC 2230a_100000749238_100000757381 [1,1,0,0,0,0|2,0,0]=4 10892 B10R0.71 CCSCCNCCSCC 2230a_100000106463_100000757381 [1,1,0,0,0,0|2,0,0]=4 10893 B10R0.71 CCSCCOCCCCBr 34a_100011216708_100000757381 [1,1,0,0,0,0|2,0,0]=4 10894 B10R0.71 CCSCCOCCCCCl 34a_100000210776_100000757381 [1,1,0,0,0,0|2,0,0]=4 10895 B10R0.71 CCSCCOCCCCCl 7a_100000210776_100000757381 [1,1,0,0,0,0|2,0,0]=4 10896 B10R0.71 CCSCCOCCCCF 34a_100000212035_100000729493 [1,1,0,0,0,0|2,0,0]=4 10897 B10R0.71 CCSCCOCCCCF 34a_100011995726_100000757381 [1,1,0,0,0,0|2,0,0]=4 10898 B10R0.71 CCSCCOCCCCF 7a_100000212035_100000729493 [1,1,0,0,0,0|2,0,0]=4 10899 B10R0.71 CCSCCOCCCCF 7a_100011995726_100000757381 [1,1,0,0,0,0|2,0,0]=4 10900 B10R0.71 CCSCCOCCCCI 34a_200012148704_100000757381 [1,1,0,0,0,0|2,0,0]=4 10901 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [1,1,0,0,0,0|2,0,0]=4 10902 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,1,0,0,0,0|2,0,0]=4 10903 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,1,0,0,0,0|2,0,0]=4 10904 B10R0.71 CCSCCOCCCNC 34a_100000213112_100000757381 [1,1,0,0,0,0|2,0,0]=4 10905 B10R0.71 CCSCCOCCCOC 34a_100000212035_100000740836 [1,1,0,0,0,0|2,0,0]=4 10906 B10R0.71 CCSCCOCCCOC 34a_100000740835_100000757381 [1,1,0,0,0,0|2,0,0]=4 10907 B10R0.71 CCSCCOCCCOC 7a_100000212035_100000740836 [1,1,0,0,0,0|2,0,0]=4 10908 B10R0.71 CCSCCOCCCSC 34a_100000690336_100000757381 [1,1,0,0,0,0|2,0,0]=4 10909 B10R0.71 CCSCCOCCCSC 7a_100000690336_100000757381 [1,1,0,0,0,0|2,0,0]=4 10910 B10R0.71 CCSCCOCCSCC 34a_100000212035_100000757381 [1,1,0,0,0,0|2,0,0]=4 10911 B10R0.71 CCSCCOCCSCC 7a_100000212035_100000757381 [1,1,0,0,0,0|2,0,0]=4 10912 B10R0.71 CCSCCSCCCCF 62a_100000729493_100000757381 [1,1,0,0,0,0|2,0,0]=4 10913 B10R0.71 CCSCCSCCCCF 62a_100000757381_100000729493 [1,1,0,0,0,0|2,0,0]=4 10914 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [1,1,0,0,0,0|2,0,0]=4 10915 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [1,1,0,0,0,0|2,0,0]=4 10916 B10R0.71 CCSCCSCCCOC 62a_100000709357_100000757381 [1,1,0,0,0,0|2,0,0]=4 10917 B10R0.71 CCSCCSCCCOC 62a_100000757381_100000709357 [1,1,0,0,0,0|2,0,0]=4 10918 B10R0.71 CCSCCSCCSCC 62a_100000757381_100000757381 [1,1,0,0,0,0|2,0,0]=4 10919 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 10920 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 10921 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,1,0,0,0,0|1,0,1]=4 10922 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 10923 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 10924 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,1,0,0,0,0|2,0,0]=4 10925 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,1,0,0,0,0|2,0,0]=4 10926 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,1,0,0,0,0|2,0,0]=4 10927 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,1,0,0,0,0|1,0,1]=4 10928 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,1,0,0,0,0|1,0,1]=4 10929 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 10930 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 10931 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 10932 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,1,0,0,0,0|1,0,1]=4 10933 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,1,0,0,0,0|2,0,0]=4 10934 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,1,0,0,0,0|2,0,0]=4 10935 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,1,0,0,0,0|2,0,0]=4 10936 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,1,0,0,0,0|2,0,0]=4 10937 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,1,0,0,0,0|2,0,0]=4 10938 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,1,0,0,0,0|2,0,0]=4 10939 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,1,0,0,0,0|2,0,0]=4 10940 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,1,0,0,0,0|2,0,0]=4 10941 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,1,0,0,0,0|2,0,0]=4 10942 B10R0.71 COCCCCCNCOC 2230a_100000747528_100000766300 [1,1,0,0,0,0|2,0,0]=4 10943 B10R0.71 COCCCCCNCSC 2230a_100000747528_100011218213 [1,1,0,0,0,0|2,0,0]=4 10944 B10R0.71 COCCCCCNCSC 34a_100000747528_100011218213 [1,1,0,0,0,0|2,0,0]=4 10945 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,1,0,0,0,0|2,0,0]=4 10946 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [1,1,0,0,0,0|2,0,0]=4 10947 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [1,1,0,0,0,0|2,0,0]=4 10948 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,1,0,0,0,0|2,0,0]=4 10949 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,1,0,0,0,0|2,0,0]=4 10950 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 10951 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,1,0,0,0,0|1,0,1]=4 10952 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,1,0,0,0,0|2,0,0]=4 10953 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,1,0,0,0,0|2,0,0]=4 10954 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,1,0,0,0,0|2,0,0]=4 10955 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,1,0,0,0,0|2,0,0]=4 10956 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,1,0,0,0,0|2,0,0]=4 10957 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,1,0,0,0,0|2,0,0]=4 10958 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [1,1,0,0,0,0|2,0,0]=4 10959 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [1,1,0,0,0,0|2,0,0]=4 10960 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,1,0,0,0,0|2,0,0]=4 10961 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,1,0,0,0,0|2,0,0]=4 10962 B10R0.71 FCCCCCCNCCF 34a_100000724931_100015922095 [1,1,0,0,0,0|2,0,0]=4 10963 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [1,1,0,0,0,0|2,0,0]=4 10964 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [1,1,0,0,0,0|2,0,0]=4 10965 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [1,1,0,0,0,0|2,0,0]=4 10966 B10R0.71 FCCCCCCSCCF 62a_100011217306_100015922095 [1,1,0,0,0,0|2,0,0]=4 10967 B10R0.71 FCCCCCCSCCF 62a_100015922095_100011217306 [1,1,0,0,0,0|2,0,0]=4 10968 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [1,1,0,0,0,0|2,0,0]=4 10969 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [1,1,0,0,0,0|2,0,0]=4 10970 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [1,1,0,0,0,0|2,0,0]=4 10971 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [1,1,0,0,0,0|2,0,0]=4 10972 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,1,0,0,0,0|2,0,0]=4 10973 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,1,0,0,0,0|2,0,0]=4 10974 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,1,0,0,0,0|2,0,0]=4 10975 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|2,0,0]=4 10976 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|2,0,0]=4 10977 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,1,0,0,0,0|2,0,0]=4 10978 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,1,0,0,0,0|2,0,0]=4 10979 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,1,0,0,0,0|2,0,0]=4 10980 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,1,0,0,0,0|2,0,0]=4 10981 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,1,0,0,0,0|2,0,0]=4 10982 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [1,1,0,0,0,0|2,0,0]=4 10983 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|2,0,0]=4 10984 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [1,1,0,0,0,0|2,0,0]=4 10985 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [1,1,0,0,0,0|2,0,0]=4 10986 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [1,1,0,0,0,0|2,0,0]=4 10987 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|2,0,0]=4 10988 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [1,1,0,0,0,0|2,0,0]=4 10989 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,1,0,0,0,0|2,0,0]=4 10990 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [1,1,0,0,0,0|2,0,0]=4 10991 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [1,1,0,0,0,0|2,0,0]=4 10992 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [1,1,0,0,0,0|2,0,0]=4 10993 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [1,1,0,0,0,0|2,0,0]=4 10994 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [1,1,0,0,0,0|2,0,0]=4 10995 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [1,1,0,0,0,0|2,0,0]=4 10996 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,1,0,0,0,0|2,0,0]=4 10997 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,1,0,0,0,0|2,0,0]=4 10998 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,1,0,0,0,0|2,0,0]=4 10999 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,1,0,0,0,0|2,0,0]=4 11000 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,1,0,0,0,0|2,0,0]=4 11001 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,1,0,0,0,0|2,0,0]=4 11002 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [1,1,0,0,0,0|2,0,0]=4 11003 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [1,1,0,0,0,0|2,0,0]=4 11004 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 11005 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 11006 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,1,0,0,0,0|1,0,1]=4 11007 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,1,0,0,0,0|1,0,1]=4 11008 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 11009 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 11010 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 11011 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,1,0,0,0,0|2,0,0]=4 11012 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 11013 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,1,0,0,0,0|1,0,1]=4 11014 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|0,0,2]=4 11015 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [1,1,0,0,0,0|1,0,1]=4 11016 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [1,1,0,0,0,0|1,0,1]=4 11017 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [1,1,0,0,0,0|1,0,1]=4 11018 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [1,1,0,0,0,0|1,0,1]=4 11019 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [1,1,0,0,0,0|1,0,1]=4 11020 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [1,1,0,0,0,0|1,0,1]=4 11021 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [1,1,0,0,0,0|0,0,2]=4 11022 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [1,1,0,0,0,0|0,0,2]=4 11023 B10R0.91 CC/C=C\CN(C)CCCC 2230a_100000207549_100103147603 [1,1,0,0,0,0|1,0,1]=4 11024 B10R0.91 CC/C=C\CN(C)CCCC 269982a_100000207549_100103147603 [1,1,0,0,0,0|1,0,1]=4 11025 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|0,0,2]=4 11026 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|0,0,2]=4 11027 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [1,1,0,0,0,0|1,0,1]=4 11028 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [1,1,0,0,0,0|1,0,1]=4 11029 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [1,1,0,0,0,0|1,0,1]=4 11030 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [1,1,0,0,0,0|1,0,1]=4 11031 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [1,1,0,0,0,0|1,0,1]=4 11032 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [1,1,0,0,0,0|1,0,1]=4 11033 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|0,0,2]=4 11034 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|1,0,1]=4 11035 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|1,0,1]=4 11036 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|1,0,1]=4 11037 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|1,0,1]=4 11038 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [1,1,0,0,0,0|1,0,1]=4 11039 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [1,1,0,0,0,0|1,0,1]=4 11040 B10R0.91 CCCCC(C)SCOCC 62a_100000739092_200011215066 [1,1,0,0,0,0|2,0,0]=4 11041 B10R0.91 CCCCC(C)SCOCC 62a_200011215066_100000739092 [1,1,0,0,0,0|2,0,0]=4 11042 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|0,0,2]=4 11043 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|0,0,2]=4 11044 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,1]=4 11045 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|1,0,1]=4 11046 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|1,0,1]=4 11047 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|1,0,1]=4 11048 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|1,0,1]=4 11049 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|1,0,1]=4 11050 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [1,1,0,0,0,0|1,0,1]=4 11051 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [1,1,0,0,0,0|1,0,1]=4 11052 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,1,0,0,0,0|1,0,1]=4 11053 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 11054 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 11055 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [1,1,0,0,0,0|1,0,1]=4 11056 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [1,1,0,0,0,0|1,0,1]=4 11057 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [1,1,0,0,0,0|1,0,1]=4 11058 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [1,1,0,0,0,0|1,0,1]=4 11059 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [1,1,0,0,0,0|1,0,1]=4 11060 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [1,1,0,0,0,0|1,0,1]=4 11061 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,1,0,0,0,0|2,0,0]=4 11062 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [1,1,0,0,0,0|2,0,0]=4 11063 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [1,1,0,0,0,0|2,0,0]=4 11064 B10R0.91 CCCCN(C)CCSCC 2230a_100000207549_100000757381 [1,1,0,0,0,0|2,0,0]=4 11065 B10R0.91 CCCCN(C)CCSCC 269982a_100000207549_100000757381 [1,1,0,0,0,0|2,0,0]=4 11066 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [1,1,0,0,0,0|1,0,1]=4 11067 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [1,1,0,0,0,0|1,0,1]=4 11068 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [1,1,0,0,0,0|1,0,1]=4 11069 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [1,1,0,0,0,0|1,0,1]=4 11070 B10R0.91 CCCCNC(C)CSCC 270004a_100000102301_200011216171 [1,1,0,0,0,0|2,0,0]=4 11071 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 11072 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [1,1,0,0,0,0|1,0,1]=4 11073 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [1,1,0,0,0,0|1,0,1]=4 11074 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [1,1,0,0,0,0|1,0,1]=4 11075 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,1,0,0,0,0|2,0,0]=4 11076 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,1,0,0,0,0|2,0,0]=4 11077 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [1,1,0,0,0,0|1,0,1]=4 11078 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [1,1,0,0,0,0|1,0,1]=4 11079 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [1,1,0,0,0,0|1,0,1]=4 11080 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [1,1,0,0,0,0|2,0,0]=4 11081 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [1,1,0,0,0,0|2,0,0]=4 11082 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [1,1,0,0,0,0|2,0,0]=4 11083 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [1,1,0,0,0,0|2,0,0]=4 11084 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [1,1,0,0,0,0|1,0,1]=4 11085 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [1,1,0,0,0,0|1,0,1]=4 11086 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [1,1,0,0,0,0|2,0,0]=4 11087 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [1,1,0,0,0,0|2,0,0]=4 11088 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [1,1,0,0,0,0|2,0,0]=4 11089 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|0,0,1]=3 11090 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|1,0,1]=4 11091 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|1,0,1]=4 11092 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|1,0,1]=4 11093 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 11094 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 11095 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 11096 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 11097 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [1,1,0,0,0,0|2,0,0]=4 11098 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [1,1,0,0,0,0|2,0,0]=4 11099 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [1,1,0,0,0,0|2,0,0]=4 11100 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 11101 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 11102 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 11103 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 11104 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [1,1,0,0,0,0|2,0,0]=4 11105 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [1,1,0,0,0,0|1,0,0]=3 11106 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [1,1,0,0,0,0|2,0,0]=4 11107 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [1,1,0,0,0,0|2,0,0]=4 11108 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [1,1,0,0,0,0|2,0,0]=4 11109 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [1,1,0,0,0,0|2,0,0]=4 11110 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [1,1,0,0,0,0|2,0,0]=4 11111 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [1,1,0,0,0,0|2,0,0]=4 11112 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [1,1,0,0,0,0|1,0,1]=4 11113 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [1,1,0,0,0,0|1,0,1]=4 11114 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,1,0,0,0,0|2,0,0]=4 11115 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [1,1,0,0,0,0|2,0,0]=4 11116 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [1,1,0,0,0,0|2,0,0]=4 11117 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [1,1,0,0,0,0|1,0,1]=4 11118 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [1,1,0,0,0,0|2,0,0]=4 11119 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [1,1,0,0,0,0|1,0,1]=4 11120 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [1,1,0,0,0,0|2,0,0]=4 11121 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [1,1,0,0,0,0|2,0,0]=4 11122 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [1,1,0,0,0,0|1,0,1]=4 11123 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [1,1,0,0,0,0|0,0,2]=4 11124 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [1,1,0,0,0,0|0,0,2]=4 11125 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [1,1,0,0,0,0|0,0,2]=4 11126 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [1,1,0,0,0,0|0,0,2]=4 11127 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [1,1,0,0,0,0|2,0,0]=4 11128 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [1,1,0,0,0,0|2,0,0]=4 11129 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [1,1,0,0,0,0|2,0,0]=4 11130 B10R0.41 CCN(CCCCOC)N=O 34a_200000035056_200000210301 [1,1,0,0,0,0|2,0,0]=4 11131 B10R0.41 CCN(CCCCO[13CH3])N=O 34a_200000035056_200025704644 [1,1,0,0,0,0|2,0,0]=4 11132 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [1,1,0,0,0,0|1,0,1]=4 11133 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [1,1,0,0,0,0|1,0,1]=4 11134 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [1,1,0,0,0,0|1,0,1]=4 11135 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [1,1,0,0,0,0|1,0,0]=3 11136 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [1,1,0,0,0,0|1,0,0]=3 11137 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [1,1,0,0,0,0|1,0,0]=3 11138 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [1,1,0,0,0,0|2,0,0]=4 11139 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [1,1,0,0,0,0|1,0,0]=3 11140 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [1,1,0,0,0,0|1,0,0]=3 11141 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [1,1,0,0,0,0|2,0,0]=4 11142 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [1,1,0,0,0,0|2,0,0]=4 11143 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [1,1,0,0,0,0|2,0,0]=4 11144 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [1,1,0,0,0,0|1,0,1]=4 11145 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [1,1,0,0,0,0|1,0,0]=3 11146 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [1,1,0,0,0,0|1,0,0]=3 11147 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [1,1,0,0,0,0|1,0,0]=3 11148 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [1,1,0,0,0,0|1,0,0]=3 11149 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [1,1,0,0,0,0|2,0,0]=4 11150 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [1,1,0,0,0,0|2,0,0]=4 11151 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [1,1,0,0,0,0|1,0,0]=3 11152 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [1,1,0,0,0,0|1,0,0]=3 11153 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [1,1,0,0,0,0|2,0,0]=4 11154 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [1,1,0,0,0,0|2,0,0]=4 11155 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [1,1,0,0,0,0|2,0,0]=4 11156 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [1,1,0,0,0,0|2,0,0]=4 11157 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [1,1,0,0,0,0|2,0,0]=4 11158 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [1,1,0,0,0,0|2,0,0]=4 11159 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 11160 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 11161 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 11162 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 11163 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [1,1,0,0,0,0|2,0,0]=4 11164 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [1,1,0,0,0,0|2,0,0]=4 11165 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [1,1,0,0,0,0|2,0,0]=4 11166 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 11167 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 11168 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 11169 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 11170 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 11171 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 11172 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 11173 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 11174 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [1,1,0,0,0,0|2,0,0]=4 11175 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [1,1,0,0,0,0|2,0,0]=4 11176 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [1,1,0,0,0,0|2,0,0]=4 11177 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [1,1,0,0,0,0|2,0,0]=4 11178 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [1,1,0,0,0,0|2,0,0]=4 11179 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [1,1,0,0,0,0|2,0,0]=4 11180 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [1,1,0,0,0,0|2,0,0]=4 11181 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [1,1,0,0,0,0|2,0,0]=4 11182 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [1,1,0,0,0,0|2,0,0]=4 11183 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [1,1,0,0,0,0|2,0,0]=4 11184 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [1,1,0,0,0,0|2,0,0]=4 11185 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [1,1,0,0,0,0|2,0,0]=4 11186 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [1,1,0,0,0,0|2,0,0]=4 11187 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [1,1,0,0,0,0|2,0,0]=4 11188 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [1,1,0,0,0,0|2,0,0]=4 11189 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [1,1,0,0,0,0|2,0,0]=4 11190 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [1,1,0,0,0,0|2,0,0]=4 11191 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [1,1,0,0,0,0|2,0,0]=4 11192 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [1,1,0,0,0,0|2,0,0]=4 11193 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [1,1,0,0,0,0|2,0,0]=4 11194 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [1,1,0,0,0,0|2,0,0]=4 11195 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [1,1,0,0,0,0|2,0,0]=4 11196 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [1,1,0,0,0,0|2,0,0]=4 11197 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [1,1,0,0,0,0|2,0,0]=4 11198 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [1,1,0,0,0,0|2,0,0]=4 11199 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [1,1,0,0,0,0|2,0,0]=4 11200 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [1,1,0,0,0,0|2,0,0]=4 11201 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [1,1,0,0,0,0|2,0,0]=4 11202 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [1,1,0,0,0,0|2,0,0]=4 11203 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [1,1,0,0,0,0|2,0,0]=4 11204 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [1,1,0,0,0,0|2,0,0]=4 11205 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [1,1,0,0,0,0|2,0,0]=4 11206 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [1,1,0,0,0,0|2,0,0]=4 11207 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [1,1,0,0,0,0|2,0,0]=4 11208 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [1,1,0,0,0,0|2,0,0]=4 11209 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [1,1,0,0,0,0|2,0,0]=4 11210 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [1,1,0,0,0,0|2,0,0]=4 11211 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [1,1,0,0,0,0|2,0,0]=4 11212 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [1,1,0,0,0,0|2,0,0]=4 11213 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [1,1,0,0,0,0|2,0,0]=4 11214 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [1,1,0,0,0,0|2,0,0]=4 11215 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [1,1,0,0,0,0|2,0,0]=4 11216 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [1,1,0,0,0,0|2,0,0]=4 11217 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [1,1,0,0,0,0|2,0,0]=4 11218 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [1,1,0,0,0,0|2,0,0]=4 11219 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [1,1,0,0,0,0|2,0,0]=4 11220 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [1,1,0,0,0,0|2,0,0]=4 11221 B10R0.62 CCCNCCS(=O)(=O)CC 2230a_100000751051_100000210303 [1,1,0,0,0,0|2,0,0]=4 11222 B10R0.62 CCCNCCS(=O)(=O)CC 34a_100000751051_100000210303 [1,1,0,0,0,0|2,0,0]=4 11223 B10R0.62 CCCOCCS(=O)(=O)CC 34a_100000210258_100000756660 [1,1,0,0,0,0|2,0,0]=4 11224 B10R0.62 CCCOCCS(=O)(=O)CC 34a_200011216379_100000210303 [1,1,0,0,0,0|2,0,0]=4 11225 B10R0.62 CCCOCCS(=O)(=O)CC 7a_200011216379_100000210303 [1,1,0,0,0,0|2,0,0]=4 11226 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000210303_100000756660 [1,1,0,0,0,0|2,0,0]=4 11227 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000756660_100000210303 [1,1,0,0,0,0|2,0,0]=4 11228 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [1,1,0,0,0,0|0,0,2]=4 11229 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [1,1,0,0,0,0|0,0,2]=4 11230 B10R0.83 CCC(=O)C(C)NCCCF 2230a_100015189416_100000742827 [1,1,0,0,0,0|2,0,0]=4 11231 B10R0.83 CCC(=O)C(C)NCCOC 2230a_100000209980_100000742827 [1,1,0,0,0,0|2,0,0]=4 11232 B10R0.83 CCC(=O)C(C)NCCSC 2230a_100020590264_100000742827 [1,1,0,0,0,0|2,0,0]=4 11233 B10R0.83 CCC(=O)C(C)OCCSC 7a_100000230434_100000742827 [1,1,0,0,0,0|2,0,0]=4 11234 B10R0.83 CCC(=O)C(C)SCCCF 62a_100000742827_100011934791 [1,1,0,0,0,0|2,0,0]=4 11235 B10R0.83 CCC(=O)C(C)SCCCF 62a_100011934791_100000742827 [1,1,0,0,0,0|2,0,0]=4 11236 B10R0.83 CCC(=O)C(C)SCCCO 62a_100000742827_100011215043 [1,1,0,0,0,0|2,0,0]=4 11237 B10R0.83 CCC(=O)C(C)SCCCO 62a_100011215043_100000742827 [1,1,0,0,0,0|2,0,0]=4 11238 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000233755_100000742827 [1,1,0,0,0,0|2,0,0]=4 11239 B10R0.83 CCC(=O)C(C)SCCOC 62a_100000742827_100000233755 [1,1,0,0,0,0|2,0,0]=4 11240 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000212216_100000742827 [1,1,0,0,0,0|2,0,0]=4 11241 B10R0.83 CCC(=O)C(C)SCCSC 62a_100000742827_100000751147 [1,1,0,0,0,0|2,0,0]=4 11242 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [1,1,0,0,0,0|2,0,0]=4 11243 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [1,1,0,0,0,0|2,0,0]=4 11244 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [1,1,0,0,0,0|2,0,0]=4 11245 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [1,1,0,0,0,0|2,0,0]=4 11246 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [1,1,0,0,0,0|2,0,0]=4 11247 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,1,0,0,0,0|1,0,1]=4 11248 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [1,1,0,0,0,0|0,0,0]=2 11249 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [1,1,0,0,0,0|0,0,0]=2 11250 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [1,1,0,0,0,0|1,0,0]=3 11251 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [1,1,0,0,0,0|1,0,0]=3 11252 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [1,1,0,0,0,0|1,0,0]=3 11253 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 11254 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 11255 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [1,1,0,0,0,0|1,0,0]=3 11256 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [1,1,0,0,0,0|2,0,0]=4 11257 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [1,1,0,0,0,0|2,0,0]=4 11258 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [1,1,0,0,0,0|1,0,0]=3 11259 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [1,1,0,0,0,0|1,0,0]=3 11260 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [1,1,0,0,0,0|1,0,0]=3 11261 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [1,1,0,0,0,0|1,0,0]=3 11262 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [1,1,0,0,0,0|2,0,0]=4 11263 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [1,1,0,0,0,0|2,0,0]=4 11264 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [1,1,0,0,0,0|2,0,0]=4 11265 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [1,1,0,0,0,0|2,0,0]=4 11266 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [1,1,0,0,0,0|1,0,0]=3 11267 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [1,1,0,0,0,0|1,0,0]=3 11268 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [1,1,0,0,0,0|2,0,0]=4 11269 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [1,1,0,0,0,0|2,0,0]=4 11270 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [1,1,0,0,0,0|2,0,0]=4 11271 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [1,1,0,0,0,0|2,0,0]=4 11272 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [1,1,0,0,0,0|2,0,0]=4 11273 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [1,1,0,0,0,0|2,0,0]=4 11274 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [1,1,0,0,0,0|2,0,0]=4 11275 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [1,1,0,0,0,0|2,0,0]=4 11276 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [1,1,0,0,0,0|1,0,0]=3 11277 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [1,1,0,0,0,0|2,0,0]=4 11278 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [1,1,0,0,0,0|2,0,0]=4 11279 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [1,1,0,0,0,0|2,0,0]=4 11280 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [1,1,0,0,0,0|2,0,0]=4 11281 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [1,1,0,0,0,0|2,0,0]=4 11282 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [1,1,0,0,0,0|2,0,0]=4 11283 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [1,1,0,0,0,0|2,0,0]=4 11284 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [1,1,0,0,0,0|1,0,0]=3 11285 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [1,1,0,0,0,0|1,0,0]=3 11286 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [1,1,0,0,0,0|1,0,0]=3 11287 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [1,1,0,0,0,0|2,0,0]=4 11288 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [1,1,0,0,0,0|2,0,0]=4 11289 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 11290 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 11291 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [1,1,0,0,0,0|2,0,0]=4 11292 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [1,1,0,0,0,0|2,0,0]=4 11293 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [1,1,0,0,0,0|2,0,0]=4 11294 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [1,1,0,0,0,0|2,0,0]=4 11295 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [1,1,0,0,0,0|2,0,0]=4 11296 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [1,1,0,0,0,0|2,0,0]=4 11297 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [1,1,0,0,0,0|2,0,0]=4 11298 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [1,1,0,0,0,0|2,0,0]=4 11299 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [1,1,0,0,0,0|2,0,0]=4 11300 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [1,1,0,0,0,0|2,0,0]=4 11301 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [1,1,0,0,0,0|2,0,0]=4 11302 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [1,1,0,0,0,0|2,0,0]=4 11303 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [1,1,0,0,0,0|2,0,0]=4 11304 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [1,1,0,0,0,0|2,0,0]=4 11305 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [1,1,0,0,0,0|2,0,0]=4 11306 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [1,1,0,0,0,0|2,0,0]=4 11307 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [1,1,0,0,0,0|2,0,0]=4 11308 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [1,1,0,0,0,0|2,0,0]=4 11309 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000739092_100000742827 [1,1,0,0,0,0|2,0,0]=4 11310 B10R0.83 CCOCSC(C)C(=O)CC 62a_100000742827_100000739092 [1,1,0,0,0,0|2,0,0]=4 11311 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [1,1,0,0,0,0|2,0,0]=4 11312 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [1,1,0,0,0,0|2,0,0]=4 11313 B10R0.108 CCC(=O)COC(C)CCO 34a_100000725409_100009893172 [1,1,0,0,0,0|2,0,0]=4 11314 B10R0.108 CCC(=O)COC(C)COC 34a_100000725409_100000765312 [1,1,0,0,0,0|2,0,0]=4 11315 B10R0.108 CCC(=O)CSC(C)CCO 62a_100000747405_100009893172 [1,1,0,0,0,0|2,0,0]=4 11316 B10R0.108 CCC(=O)CSC(C)CCO 62a_100009893172_100000747405 [1,1,0,0,0,0|2,0,0]=4 11317 B10R0.108 CCC(=O)CSC(C)COC 62a_100000747405_100000765312 [1,1,0,0,0,0|2,0,0]=4 11318 B10R0.108 CCC(=O)CSC(C)COC 62a_100000765312_100000747405 [1,1,0,0,0,0|2,0,0]=4 11319 B10R0.108 CCC(=O)NCC(O)COC 240690a_100000756049_100000210414 [1,1,0,0,0,0|2,0,0]=4 11320 B10R0.108 CCC(=O)NCC(O)COC 527a_100000756049_100000210414 [1,1,0,0,0,0|2,0,0]=4 11321 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [1,1,0,0,0,0|1,0,1]=4 11322 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [1,1,0,0,0,0|1,0,1]=4 11323 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|1,0,1]=4 11324 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [1,1,0,0,0,0|1,0,1]=4 11325 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [1,1,0,0,0,0|1,0,1]=4 11326 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [1,1,0,0,0,0|2,0,0]=4 11327 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [1,1,0,0,0,0|2,0,0]=4 11328 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [1,1,0,0,0,0|2,0,0]=4 11329 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [1,1,0,0,0,0|2,0,0]=4 11330 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [1,1,0,0,0,0|1,0,0]=3 11331 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [1,1,0,0,0,0|1,0,0]=3 11332 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [1,1,0,0,0,0|2,0,0]=4 11333 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [1,1,0,0,0,0|2,0,0]=4 11334 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [1,1,0,0,0,0|2,0,0]=4 11335 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [1,1,0,0,0,0|2,0,0]=4 11336 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [1,1,0,0,0,0|2,0,0]=4 11337 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [1,1,0,0,0,0|1,0,0]=3 11338 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [1,1,0,0,0,0|1,0,0]=3 11339 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [1,1,0,0,0,0|2,0,0]=4 11340 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [1,1,0,0,0,0|2,0,0]=4 11341 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [1,1,0,0,0,0|2,0,0]=4 11342 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [1,1,0,0,0,0|2,0,0]=4 11343 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [1,1,0,0,0,0|2,0,0]=4 11344 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [1,1,0,0,0,0|2,0,0]=4 11345 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [1,1,0,0,0,0|2,0,0]=4 11346 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [1,1,0,0,0,0|2,0,0]=4 11347 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [1,1,0,0,0,0|2,0,0]=4 11348 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [1,1,0,0,0,0|2,0,0]=4 11349 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [1,1,0,0,0,0|2,0,0]=4 11350 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [1,1,0,0,0,0|1,0,1]=4 11351 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|1,0,1]=4 11352 B12R0.1 C#CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000184674 [0,2,0,0,0,0|0,0,2]=4 11353 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [0,2,0,0,0,0|0,0,2]=4 11354 B12R0.1 C#CCC(=O)CC#CCCCCC 1458a_100011220946_100009816472 [0,2,0,0,0,0|0,0,2]=4 11355 B12R0.1 C#CCC(=O)CCCCCCC#N 1458a_100011220946_100009813337 [0,2,0,0,0,0|0,0,2]=4 11356 B12R0.1 C#CCC(=O)CCCCCCC=C 1458a_100011220946_100011215473 [0,2,0,0,0,0|0,0,2]=4 11357 B12R0.1 C#CCC(=O)CCCCCCC=C 1458a_100011809334_100000184674 [0,2,0,0,0,0|0,0,2]=4 11358 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,2,0,0,0,0|0,0,1]=3 11359 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,2,0,0,0,0|0,0,1]=3 11360 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,2,0,0,0,0|0,0,1]=3 11361 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,2,0,0,0,0|0,0,1]=3 11362 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [0,2,0,0,0,0|0,0,1]=3 11363 B12R0.1 C#CCC(=O)CCCOCCOC 1458a_100011220946_100011216529 [0,2,0,0,0,0|1,0,1]=4 11364 B12R0.1 C#CCC(=O)CCOCCOCC 1458a_100011220946_100011211534 [0,2,0,0,0,0|1,0,1]=4 11365 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,2,0,0,0,0|0,0,1]=3 11366 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,2,0,0,0,0|0,0,1]=3 11367 B12R0.1 C#CCC(=O)NCCCCCCO 527a_100000686447_100011220946 [0,2,0,0,0,0|1,0,1]=4 11368 B12R0.1 C#CCC(=O)NCCCCCOC 1626a_100000747528_100011220946 [0,2,0,0,0,0|1,0,1]=4 11369 B12R0.1 C#CCC(=O)NCCCCCOC 527a_100000747528_100011220946 [0,2,0,0,0,0|1,0,1]=4 11370 B12R0.1 C#CCC(=O)NCCCOCCC 1626a_100011217757_100011220946 [0,2,0,0,0,0|1,0,1]=4 11371 B12R0.1 C#CCC(=O)NCCCOCCC 527a_100011217757_100011220946 [0,2,0,0,0,0|1,0,1]=4 11372 B12R0.1 C#CCC(=O)NCCSCCCC 1626a_100025743550_100011220946 [0,2,0,0,0,0|1,0,1]=4 11373 B12R0.1 C#CCC(=O)NCCSCCCC 527a_100025743550_100011220946 [0,2,0,0,0,0|1,0,1]=4 11374 B12R0.1 C#CCCCCCCC(=O)C#CC 1458a_100000763181_100012276617 [0,2,0,0,0,0|0,0,2]=4 11375 B12R0.1 C#CCCCCCCC(=O)C=CC 1458a_100000210699_100012276617 [0,2,0,0,0,0|0,0,2]=4 11376 B12R0.1 C#CCCCCCCC(=O)CC#C 1458a_100000034748_100000184674 [0,2,0,0,0,0|0,0,2]=4 11377 B12R0.1 C#CCCCCCCC(=O)CC#C 1458a_100011220946_100012276617 [0,2,0,0,0,0|0,0,2]=4 11378 B12R0.1 C#CCCCCCCC(=O)CC#N 1458a_100000034748_100011214920 [0,2,0,0,0,0|0,0,2]=4 11379 B12R0.1 C#CCCCCCCC(=O)CC#N 1458a_100051588842_100012276617 [0,2,0,0,0,0|0,0,2]=4 11380 B12R0.1 C#CCCCCCCC(=O)CC=C 1458a_100000034748_100000210623 [0,2,0,0,0,0|0,0,2]=4 11381 B12R0.1 C#CCCCCCCC(=O)CC=C 1458a_100000210193_100012276617 [0,2,0,0,0,0|0,0,2]=4 11382 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,2,0,0,0,0|0,0,1]=3 11383 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,2,0,0,0,0|0,0,1]=3 11384 B12R0.1 C#CCCCCCCC(=O)CCF 1458a_100000034748_100011217306 [0,2,0,0,0,0|0,0,1]=3 11385 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,2,0,0,0,0|0,0,1]=3 11386 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,2,0,0,0,0|0,0,1]=3 11387 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,2,0,0,0,0|0,0,1]=3 11388 B12R0.1 C#CCCCCCCC(=O)CSC 1458a_100000184570_100012276617 [0,2,0,0,0,0|0,0,1]=3 11389 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [0,2,0,0,0,0|0,0,1]=3 11390 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [0,2,0,0,0,0|0,0,1]=3 11391 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [0,2,0,0,0,0|0,0,1]=3 11392 B12R0.1 C#CCCCCCCC(=O)NNC 22a_100016993582_100000034748 [0,2,0,0,0,0|1,0,1]=4 11393 B12R0.1 C#CCCCCNCC(=O)CCC 2230a_100000706060_100000747444 [0,2,0,0,0,0|0,0,2]=4 11394 B12R0.1 C#CCCCCNCC(=O)NCC 2230a_100000706060_100000183381 [0,2,0,0,0,0|0,0,2]=4 11395 B12R0.1 C#CCCCCNCC(=O)NCC 2230a_100016988866_100010269958 [0,2,0,0,0,0|0,0,2]=4 11396 B12R0.1 C#CCCCCNCC(=O)NCC 34a_100000706060_100000183381 [0,2,0,0,0,0|0,0,2]=4 11397 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [0,2,0,0,0,0|0,0,2]=4 11398 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [0,2,0,0,0,0|0,0,2]=4 11399 B12R0.1 C#CCCCCOCC(=O)CCC 7a_100000766709_100000747444 [0,2,0,0,0,0|0,0,2]=4 11400 B12R0.1 C#CCCCCOCC(=O)NCC 34a_100000766709_100000183381 [0,2,0,0,0,0|0,0,2]=4 11401 B12R0.1 C#CCCCCOCC(=O)NCC 7a_100000766709_100000183381 [0,2,0,0,0,0|0,0,2]=4 11402 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,2,0,0,0,0|0,0,2]=4 11403 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,2,0,0,0,0|0,0,2]=4 11404 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100000747444_100010269958 [0,2,0,0,0,0|0,0,2]=4 11405 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100010269958_100000747444 [0,2,0,0,0,0|0,0,2]=4 11406 B12R0.1 C#CCCCCSCC(=O)NCC 62a_100000183381_100010269958 [0,2,0,0,0,0|0,0,2]=4 11407 B12R0.1 C#CCCCCSCC(=O)NCC 62a_100010269958_100000183381 [0,2,0,0,0,0|0,0,2]=4 11408 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [0,2,0,0,0,0|0,0,2]=4 11409 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [0,2,0,0,0,0|0,0,2]=4 11410 B12R0.1 C#CCCCNCCC(=O)NCC 34a_100025743525_100000695029 [0,2,0,0,0,0|0,0,2]=4 11411 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [0,2,0,0,0,0|0,0,2]=4 11412 B12R0.1 C#CCCCOCCC(=O)NCC 7a_100000215630_100000737597 [0,2,0,0,0,0|0,0,2]=4 11413 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [0,2,0,0,0,0|0,0,2]=4 11414 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [0,2,0,0,0,0|0,0,2]=4 11415 B12R0.1 C#CCCCSCCC(=O)NCC 62a_100000737597_100011215417 [0,2,0,0,0,0|0,0,2]=4 11416 B12R0.1 C#CCCCSCCC(=O)NCC 62a_100011215417_100000737597 [0,2,0,0,0,0|0,0,2]=4 11417 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [0,2,0,0,0,0|0,0,2]=4 11418 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [0,2,0,0,0,0|0,0,2]=4 11419 B12R0.1 C#CCCNCCCC(=O)OCC 34a_100000755551_100009991533 [0,2,0,0,0,0|0,0,2]=4 11420 B12R0.1 C#CCCOCCCC(=O)OCC 34a_100011215631_100009991533 [0,2,0,0,0,0|0,0,2]=4 11421 B12R0.1 C#CCCOCCCC(=O)OCC 7a_100012001163_100000688953 [0,2,0,0,0,0|0,0,2]=4 11422 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100000688953_100009991533 [0,2,0,0,0,0|0,0,2]=4 11423 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100009991533_100000688953 [0,2,0,0,0,0|0,0,2]=4 11424 B12R0.1 C#CCNCCCCC(=O)OCC 34a_100000212058_100000750268 [0,2,0,0,0,0|0,0,2]=4 11425 B12R0.1 C#CCOCCCCC(=O)OCC 34a_100000210247_100000750268 [0,2,0,0,0,0|0,0,2]=4 11426 B12R0.1 C#CCSCCCCC(=O)OCC 62a_100000038162_100000750268 [0,2,0,0,0,0|0,0,2]=4 11427 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [0,2,0,0,0,0|0,0,2]=4 11428 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [0,2,0,0,0,0|0,0,2]=4 11429 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [0,2,0,0,0,0|0,0,2]=4 11430 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100009991533_100102629194 [0,2,0,0,0,0|0,0,2]=4 11431 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100102629194_100009991533 [0,2,0,0,0,0|0,0,2]=4 11432 B12R0.1 C=CCC(=O)C/C=C/CCCCC 1458a_100020675968_100000210623 [0,2,0,0,0,0|0,0,2]=4 11433 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,2,0,0,0,0|0,0,2]=4 11434 B12R0.1 C=CCC(=O)CC#CCCCCC 1458a_100000210193_100009816472 [0,2,0,0,0,0|0,0,2]=4 11435 B12R0.1 C=CCC(=O)CCCCCCC#N 1458a_100000210193_100009813337 [0,2,0,0,0,0|0,0,2]=4 11436 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|0,0,1]=3 11437 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|0,0,1]=3 11438 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,2,0,0,0,0|0,0,1]=3 11439 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,2,0,0,0,0|0,0,1]=3 11440 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,2,0,0,0,0|0,0,1]=3 11441 B12R0.1 C=CCC(=O)CCCOCCOC 1458a_100000210193_100011216529 [0,2,0,0,0,0|1,0,1]=4 11442 B12R0.1 C=CCC(=O)CCOCCOCC 1458a_100000210193_100011211534 [0,2,0,0,0,0|1,0,1]=4 11443 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,2,0,0,0,0|0,0,1]=3 11444 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,2,0,0,0,0|0,0,1]=3 11445 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,2,0,0,0,0|0,0,1]=3 11446 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,2,0,0,0,0|0,0,1]=3 11447 B12R0.1 C=CCC(=O)NCCCCCCO 240690a_100000686447_100000210193 [0,2,0,0,0,0|1,0,1]=4 11448 B12R0.1 C=CCC(=O)NCCCCCCO 527a_100000686447_100000210193 [0,2,0,0,0,0|1,0,1]=4 11449 B12R0.1 C=CCC(=O)NCCCCCOC 11a_100000747528_100000210193 [0,2,0,0,0,0|1,0,1]=4 11450 B12R0.1 C=CCC(=O)NCCCCCOC 1626a_100000747528_100000210193 [0,2,0,0,0,0|1,0,1]=4 11451 B12R0.1 C=CCC(=O)NCCCCCOC 240690a_100000747528_100000210193 [0,2,0,0,0,0|1,0,1]=4 11452 B12R0.1 C=CCC(=O)NCCCCCOC 527a_100000747528_100000210193 [0,2,0,0,0,0|1,0,1]=4 11453 B12R0.1 C=CCC(=O)NCCCOCCC 1626a_100011217757_100000210193 [0,2,0,0,0,0|1,0,1]=4 11454 B12R0.1 C=CCC(=O)NCCCOCCC 240690a_100011217757_100000210193 [0,2,0,0,0,0|1,0,1]=4 11455 B12R0.1 C=CCC(=O)NCCCOCCC 527a_100011217757_100000210193 [0,2,0,0,0,0|1,0,1]=4 11456 B12R0.1 C=CCC(=O)NCCSCCCC 11a_100025743550_100000210193 [0,2,0,0,0,0|1,0,1]=4 11457 B12R0.1 C=CCC(=O)NCCSCCCC 1626a_100025743550_100000210193 [0,2,0,0,0,0|1,0,1]=4 11458 B12R0.1 C=CCC(=O)NCCSCCCC 240690a_100025743550_100000210193 [0,2,0,0,0,0|1,0,1]=4 11459 B12R0.1 C=CCC(=O)NCCSCCCC 527a_100025743550_100000210193 [0,2,0,0,0,0|1,0,1]=4 11460 B12R0.1 C=CCCCCCCC(=O)C#CC 1458a_100000763181_100011215473 [0,2,0,0,0,0|0,0,2]=4 11461 B12R0.1 C=CCCCCCCC(=O)C=CC 1458a_100000210699_100011215473 [0,2,0,0,0,0|0,0,2]=4 11462 B12R0.1 C=CCCCCCCC(=O)CC#N 1458a_100011809334_100011214920 [0,2,0,0,0,0|0,0,2]=4 11463 B12R0.1 C=CCCCCCCC(=O)CC#N 1458a_100051588842_100011215473 [0,2,0,0,0,0|0,0,2]=4 11464 B12R0.1 C=CCCCCCCC(=O)CC=C 1458a_100000210193_100011215473 [0,2,0,0,0,0|0,0,2]=4 11465 B12R0.1 C=CCCCCCCC(=O)CC=C 1458a_100011809334_100000210623 [0,2,0,0,0,0|0,0,2]=4 11466 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,2,0,0,0,0|0,0,1]=3 11467 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,2,0,0,0,0|0,0,1]=3 11468 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,2,0,0,0,0|0,0,1]=3 11469 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,2,0,0,0,0|0,0,1]=3 11470 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,2,0,0,0,0|0,0,1]=3 11471 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,2,0,0,0,0|0,0,1]=3 11472 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,2,0,0,0,0|0,0,1]=3 11473 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,2,0,0,0,0|0,0,1]=3 11474 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,2,0,0,0,0|0,0,1]=3 11475 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,2,0,0,0,0|0,0,1]=3 11476 B12R0.1 C=CCCCCCCC(=O)NNC 22a_100016993582_100011809334 [0,2,0,0,0,0|1,0,1]=4 11477 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [0,2,0,0,0,0|0,0,2]=4 11478 B12R0.1 C=CCCCCNCC(=O)NCC 2230a_100000703577_100000183381 [0,2,0,0,0,0|0,0,2]=4 11479 B12R0.1 C=CCCCCNCC(=O)NCC 2230a_100016988866_100011215482 [0,2,0,0,0,0|0,0,2]=4 11480 B12R0.1 C=CCCCCNCC(=O)NCC 34a_100000703577_100000183381 [0,2,0,0,0,0|0,0,2]=4 11481 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [0,2,0,0,0,0|0,0,2]=4 11482 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [0,2,0,0,0,0|0,0,2]=4 11483 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,2,0,0,0,0|0,0,2]=4 11484 B12R0.1 C=CCCCCOCC(=O)NCC 34a_100000766645_100000183381 [0,2,0,0,0,0|0,0,2]=4 11485 B12R0.1 C=CCCCCOCC(=O)NCC 7a_100000766645_100000183381 [0,2,0,0,0,0|0,0,2]=4 11486 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,2,0,0,0,0|0,0,2]=4 11487 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,2,0,0,0,0|0,0,2]=4 11488 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [0,2,0,0,0,0|0,0,2]=4 11489 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [0,2,0,0,0,0|0,0,2]=4 11490 B12R0.1 C=CCCCCSCC(=O)NCC 62a_100000183381_100011215482 [0,2,0,0,0,0|0,0,2]=4 11491 B12R0.1 C=CCCCCSCC(=O)NCC 62a_100011215482_100000183381 [0,2,0,0,0,0|0,0,2]=4 11492 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [0,2,0,0,0,0|0,0,2]=4 11493 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [0,2,0,0,0,0|0,0,2]=4 11494 B12R0.1 C=CCCCNCCC(=O)NCC 2230a_100000700776_100000737597 [0,2,0,0,0,0|0,0,2]=4 11495 B12R0.1 C=CCCCNCCC(=O)NCC 34a_100025743525_100000757094 [0,2,0,0,0,0|0,0,2]=4 11496 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [0,2,0,0,0,0|0,0,2]=4 11497 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [0,2,0,0,0,0|0,0,2]=4 11498 B12R0.1 C=CCCCOCCC(=O)NCC 7a_100000758997_100000737597 [0,2,0,0,0,0|0,0,2]=4 11499 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [0,2,0,0,0,0|0,0,2]=4 11500 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [0,2,0,0,0,0|0,0,2]=4 11501 B12R0.1 C=CCCCSCCC(=O)NCC 62a_100000737597_100000757094 [0,2,0,0,0,0|0,0,2]=4 11502 B12R0.1 C=CCCCSCCC(=O)NCC 62a_100011713584_100000737597 [0,2,0,0,0,0|0,0,2]=4 11503 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [0,2,0,0,0,0|0,0,2]=4 11504 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [0,2,0,0,0,0|0,0,2]=4 11505 B12R0.1 C=CCCNCCCC(=O)OCC 2230a_100015191253_100009991533 [0,2,0,0,0,0|0,0,2]=4 11506 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [0,2,0,0,0,0|0,0,2]=4 11507 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [0,2,0,0,0,0|0,0,2]=4 11508 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100000754431_100009991533 [0,2,0,0,0,0|0,0,2]=4 11509 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100009991533_100000754431 [0,2,0,0,0,0|0,0,2]=4 11510 B12R0.1 C=CCNCCCCC(=O)OCC 2230a_100020586998_100000750268 [0,2,0,0,0,0|0,0,2]=4 11511 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [0,2,0,0,0,0|0,0,2]=4 11512 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000210623_100000750268 [0,2,0,0,0,0|0,0,2]=4 11513 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000750268_100000210623 [0,2,0,0,0,0|0,0,2]=4 11514 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,2,0,0,0,0|0,0,2]=4 11515 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,2,0,0,0,0|0,0,2]=4 11516 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,2,0,0,0,0|0,0,2]=4 11517 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,2,0,0,0,0|0,0,2]=4 11518 B12R0.1 CC#CC(=O)CC#CCCCCC 1458a_100000763181_100009816472 [0,2,0,0,0,0|0,0,2]=4 11519 B12R0.1 CC#CC(=O)CCCCCCC#N 1458a_100000763181_100009813337 [0,2,0,0,0,0|0,0,2]=4 11520 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,2,0,0,0,0|0,0,1]=3 11521 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,2,0,0,0,0|0,0,1]=3 11522 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,2,0,0,0,0|0,0,1]=3 11523 B12R0.1 CC#CC(=O)CCCOCCOC 1458a_100000763181_100011216529 [0,2,0,0,0,0|1,0,1]=4 11524 B12R0.1 CC#CC(=O)CCOCCOCC 1458a_100000763181_100011211534 [0,2,0,0,0,0|1,0,1]=4 11525 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [0,2,0,0,0,0|0,0,2]=4 11526 B12R0.1 CC#CCNCCCC(=O)OCC 2230a_100000685387_100009991533 [0,2,0,0,0,0|0,0,2]=4 11527 B12R0.1 CC#CCNCCCC(=O)OCC 34a_100000685387_100009991533 [0,2,0,0,0,0|0,0,2]=4 11528 B12R0.1 CC#CCOCCCC(=O)OCC 34a_100000761923_100009991533 [0,2,0,0,0,0|0,0,2]=4 11529 B12R0.1 CC#CCOCCCC(=O)OCC 7a_100012001163_100000748600 [0,2,0,0,0,0|0,0,2]=4 11530 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100000748600_100009991533 [0,2,0,0,0,0|0,0,2]=4 11531 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100009991533_100000748600 [0,2,0,0,0,0|0,0,2]=4 11532 B12R0.1 CC/C=C\CCNCC(=O)NCC 2230a_100016988866_100015370543 [0,2,0,0,0,0|0,0,2]=4 11533 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,2,0,0,0,0|0,0,2]=4 11534 B12R0.1 CC/C=C\CCOCC(=O)NCC 34a_100016288707_100000183381 [0,2,0,0,0,0|0,0,2]=4 11535 B12R0.1 CC/C=C\CCOCC(=O)NCC 7a_100016288707_100000183381 [0,2,0,0,0,0|0,0,2]=4 11536 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,2,0,0,0,0|0,0,2]=4 11537 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,2,0,0,0,0|0,0,2]=4 11538 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [0,2,0,0,0,0|0,0,2]=4 11539 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [0,2,0,0,0,0|0,0,2]=4 11540 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100000183381_100015370543 [0,2,0,0,0,0|0,0,2]=4 11541 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100015370543_100000183381 [0,2,0,0,0,0|0,0,2]=4 11542 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,2,0,0,0,0|0,0,2]=4 11543 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,2,0,0,0,0|0,0,2]=4 11544 B12R0.1 CC/C=C\CNCCC(=O)NCC 34a_100025743525_100103147603 [0,2,0,0,0,0|0,0,2]=4 11545 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [0,2,0,0,0,0|0,0,2]=4 11546 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100000737597_100103147603 [0,2,0,0,0,0|0,0,2]=4 11547 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100103147603_100000737597 [0,2,0,0,0,0|0,0,2]=4 11548 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [0,2,0,0,0,0|0,0,2]=4 11549 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [0,2,0,0,0,0|0,0,2]=4 11550 B12R0.1 CC=CC(=O)CC#CCCCCC 1458a_100000210699_100009816472 [0,2,0,0,0,0|0,0,2]=4 11551 B12R0.1 CC=CC(=O)CCCCCCC#N 1458a_100000210699_100009813337 [0,2,0,0,0,0|0,0,2]=4 11552 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|0,0,1]=3 11553 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,2,0,0,0,0|0,0,1]=3 11554 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,2,0,0,0,0|0,0,1]=3 11555 B12R0.1 CC=CC(=O)CCCOCCOC 1458a_100000210699_100011216529 [0,2,0,0,0,0|1,0,1]=4 11556 B12R0.1 CC=CC(=O)CCOCCOCC 1458a_100000210699_100011211534 [0,2,0,0,0,0|1,0,1]=4 11557 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,2,0,0,0,0|0,0,1]=3 11558 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,2,0,0,0,0|0,0,1]=3 11559 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,2,0,0,0,0|0,0,1]=3 11560 B12R0.1 CC=CC(=O)NCCCCCCO 240690a_100000686447_100000210699 [0,2,0,0,0,0|1,0,1]=4 11561 B12R0.1 CC=CC(=O)NCCCCCOC 11a_100000747528_100000210699 [0,2,0,0,0,0|1,0,1]=4 11562 B12R0.1 CC=CC(=O)NCCCCCOC 1626a_100000747528_100000210699 [0,2,0,0,0,0|1,0,1]=4 11563 B12R0.1 CC=CC(=O)NCCCCCOC 240690a_100000747528_100000210699 [0,2,0,0,0,0|1,0,1]=4 11564 B12R0.1 CC=CC(=O)NCCCOCCC 1626a_100011217757_100000210699 [0,2,0,0,0,0|1,0,1]=4 11565 B12R0.1 CC=CC(=O)NCCCOCCC 240690a_100011217757_100000210699 [0,2,0,0,0,0|1,0,1]=4 11566 B12R0.1 CC=CC(=O)NCCSCCCC 11a_100025743550_100000210699 [0,2,0,0,0,0|1,0,1]=4 11567 B12R0.1 CC=CC(=O)NCCSCCCC 1626a_100025743550_100000210699 [0,2,0,0,0,0|1,0,1]=4 11568 B12R0.1 CC=CC(=O)NCCSCCCC 240690a_100025743550_100000210699 [0,2,0,0,0,0|1,0,1]=4 11569 B12R0.1 CC=CCCCOCC(=O)NCC 34a_100020645299_100000183381 [0,2,0,0,0,0|0,0,2]=4 11570 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,2,0,0,0,0|0,0,2]=4 11571 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [0,2,0,0,0,0|0,0,2]=4 11572 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100000070051_100009991533 [0,2,0,0,0,0|0,0,2]=4 11573 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100009991533_100000070051 [0,2,0,0,0,0|0,0,2]=4 11574 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,2,0,0,0,0|0,0,2]=4 11575 B12R0.1 CCC#CCCOCC(=O)NCC 34a_100000036655_100000183381 [0,2,0,0,0,0|0,0,2]=4 11576 B12R0.1 CCC#CCCOCC(=O)NCC 7a_100000036655_100000183381 [0,2,0,0,0,0|0,0,2]=4 11577 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,2,0,0,0,0|0,0,2]=4 11578 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,2,0,0,0,0|0,0,2]=4 11579 B12R0.1 CCC#CCNCCC(=O)NCC 34a_100025743525_100009813939 [0,2,0,0,0,0|0,0,2]=4 11580 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [0,2,0,0,0,0|0,0,2]=4 11581 B12R0.1 CCC#CCSCCC(=O)NCC 62a_100000737597_100009813939 [0,2,0,0,0,0|0,0,2]=4 11582 B12R0.1 CCC#CCSCCC(=O)NCC 62a_100009813939_100000737597 [0,2,0,0,0,0|0,0,2]=4 11583 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [0,2,0,0,0,0|0,0,2]=4 11584 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [0,2,0,0,0,0|0,0,2]=4 11585 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,2,0,0,0,0|0,0,2]=4 11586 B12R0.1 CCC/C=C/COCC(=O)NCC 34a_100016278788_100000183381 [0,2,0,0,0,0|0,0,2]=4 11587 B12R0.1 CCC/C=C/COCC(=O)NCC 7a_100016278788_100000183381 [0,2,0,0,0,0|0,0,2]=4 11588 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,2,0,0,0,0|0,0,2]=4 11589 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,2,0,0,0,0|0,0,2]=4 11590 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [0,2,0,0,0,0|0,0,2]=4 11591 B12R0.1 CCCC#CCOCC(=O)NCC 34a_100000034806_100000183381 [0,2,0,0,0,0|0,0,2]=4 11592 B12R0.1 CCCC#CCOCC(=O)NCC 7a_100000034806_100000183381 [0,2,0,0,0,0|0,0,2]=4 11593 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,2,0,0,0,0|0,0,2]=4 11594 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,2,0,0,0,0|0,0,2]=4 11595 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,2,0,0,0,0|0,0,1]=3 11596 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|0,0,0]=2 11597 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|0,0,0]=2 11598 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|0,0,0]=2 11599 B12R0.1 CCCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210303 [0,2,0,0,0,0|2,0,0]=4 11600 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,2,0,0,0,0|1,0,0]=3 11601 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,2,0,0,0,0|1,0,0]=3 11602 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,2,0,0,0,0|1,0,0]=3 11603 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,2,0,0,0,0|1,0,0]=3 11604 B12R0.1 CCCC(=O)CNCCOCCO 2230a_100000211614_100000747444 [0,2,0,0,0,0|2,0,0]=4 11605 B12R0.1 CCCC(=O)CNCCSCCO 2230a_100011219999_100000747444 [0,2,0,0,0,0|2,0,0]=4 11606 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,2,0,0,0,0|1,0,0]=3 11607 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,2,0,0,0,0|1,0,0]=3 11608 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,2,0,0,0,0|1,0,0]=3 11609 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,2,0,0,0,0|1,0,0]=3 11610 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,2,0,0,0,0|1,0,0]=3 11611 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,2,0,0,0,0|1,0,0]=3 11612 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [0,2,0,0,0,0|2,0,0]=4 11613 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [0,2,0,0,0,0|2,0,0]=4 11614 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [0,2,0,0,0,0|2,0,0]=4 11615 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [0,2,0,0,0,0|2,0,0]=4 11616 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,2,0,0,0,0|2,0,0]=4 11617 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100000747444_100000211819 [0,2,0,0,0,0|1,0,1]=4 11618 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100011219923_100000747444 [0,2,0,0,0,0|1,0,1]=4 11619 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [0,2,0,0,0,0|1,0,1]=4 11620 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [0,2,0,0,0,0|1,0,1]=4 11621 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,2,0,0,0,0|1,0,0]=3 11622 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,2,0,0,0,0|1,0,0]=3 11623 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,2,0,0,0,0|1,0,0]=3 11624 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,2,0,0,0,0|1,0,0]=3 11625 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,2,0,0,0,0|1,0,0]=3 11626 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,2,0,0,0,0|1,0,0]=3 11627 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,2,0,0,0,0|1,0,0]=3 11628 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,2,0,0,0,0|1,0,0]=3 11629 B12R0.1 CCCC(=O)CSCCOCCO 62a_100000747444_100011215305 [0,2,0,0,0,0|2,0,0]=4 11630 B12R0.1 CCCC(=O)CSCCOCCO 62a_100011215305_100000747444 [0,2,0,0,0,0|2,0,0]=4 11631 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000231047_100000747444 [0,2,0,0,0,0|2,0,0]=4 11632 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000747444_100000231047 [0,2,0,0,0,0|2,0,0]=4 11633 B12R0.1 CCCC(=O)NCCCCCC#N 11a_100000061152_100000211992 [0,2,0,0,0,0|1,0,1]=4 11634 B12R0.1 CCCC(=O)NCCCCCC#N 1626a_100000061152_100000211992 [0,2,0,0,0,0|1,0,1]=4 11635 B12R0.1 CCCC(=O)NCCCCCC#N 240690a_100000061152_100000211992 [0,2,0,0,0,0|1,0,1]=4 11636 B12R0.1 CCCC(=O)NCCCCCC#N 527a_100000061152_100000211992 [0,2,0,0,0,0|1,0,1]=4 11637 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,2,0,0,0,0|1,0,0]=3 11638 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,2,0,0,0,0|1,0,0]=3 11639 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 11640 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 11641 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 11642 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 11643 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,2,0,0,0,0|2,0,0]=4 11644 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,2,0,0,0,0|2,0,0]=4 11645 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,2,0,0,0,0|2,0,0]=4 11646 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,2,0,0,0,0|2,0,0]=4 11647 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 11648 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 11649 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,2,0,0,0,0|2,0,0]=4 11650 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,2,0,0,0,0|2,0,0]=4 11651 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,2,0,0,0,0|2,0,0]=4 11652 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,2,0,0,0,0|2,0,0]=4 11653 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,2,0,0,0,0|2,0,0]=4 11654 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,2,0,0,0,0|2,0,0]=4 11655 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,2,0,0,0,0|2,0,0]=4 11656 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,2,0,0,0,0|2,0,0]=4 11657 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,2,0,0,0,0|2,0,0]=4 11658 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 11659 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,2,0,0,0,0|2,0,0]=4 11660 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,2,0,0,0,0|2,0,0]=4 11661 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,2,0,0,0,0|2,0,0]=4 11662 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,2,0,0,0,0|2,0,0]=4 11663 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,2,0,0,0,0|2,0,0]=4 11664 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,2,0,0,0,0|2,0,0]=4 11666 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,2,0,0,0,0|2,0,0]=4 11667 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,2,0,0,0,0|2,0,0]=4 11668 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,2,0,0,0,0|2,0,0]=4 11669 B12R0.1 CCCCC/C=C/CC(=O)CC#N 1458a_100020675968_100011214920 [0,2,0,0,0,0|0,0,2]=4 11670 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,2,0,0,0,0|0,0,1]=3 11671 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,2,0,0,0,0|0,0,1]=3 11672 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|0,0,1]=3 11673 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,2,0,0,0,0|0,0,1]=3 11674 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,2,0,0,0,0|0,0,1]=3 11675 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,2,0,0,0,0|1,0,1]=4 11676 B12R0.1 CCCCCC#CCC(=O)CC#N 1458a_100051588842_100009816472 [0,2,0,0,0,0|0,0,2]=4 11677 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,2,0,0,0,0|0,0,1]=3 11678 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,2,0,0,0,0|0,0,1]=3 11679 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,2,0,0,0,0|0,0,1]=3 11680 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [0,2,0,0,0,0|0,0,1]=3 11681 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,2,0,0,0,0|1,0,1]=4 11682 B12R0.1 CCCCCC=NNC(=O)COC 4a_100000216845_100000737632 [0,2,0,0,0,0|1,0,1]=4 11683 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [0,2,0,0,0,0|0,0,2]=4 11684 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,2,0,0,0,0|0,0,1]=3 11685 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,2,0,0,0,0|0,0,1]=3 11686 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|0,0,1]=3 11687 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|0,0,1]=3 11688 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|0,0,1]=3 11689 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,2,0,0,0,0|1,0,1]=4 11690 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,2,0,0,0,0|0,0,2]=4 11691 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,2,0,0,0,0|0,0,2]=4 11692 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,2,0,0,0,0|0,0,2]=4 11693 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,2,0,0,0,0|0,0,1]=3 11694 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,2,0,0,0,0|0,0,1]=3 11695 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|0,0,0]=2 11696 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|0,0,0]=2 11697 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|0,0,0]=2 11698 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|0,0,0]=2 11699 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|0,0,0]=2 11700 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|0,0,0]=2 11701 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|0,0,0]=2 11702 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|0,0,0]=2 11703 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|0,0,0]=2 11704 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|0,0,0]=2 11705 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,2,0,0,0,0|1,0,0]=3 11706 B12R0.1 CCCCCCCCC(C)CNC 270004a_106832991635_100011995885 [0,2,0,0,0,0|1,0,1]=4 11707 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,2,0,0,0,0|1,0,1]=4 11708 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,2,0,0,0,0|1,0,1]=4 11709 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,2,0,0,0,0|1,0,1]=4 11710 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,2,0,0,0,0|1,0,1]=4 11711 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,2,0,0,0,0|1,0,1]=4 11712 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 11713 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 11714 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,2,0,0,0,0|2,0,0]=4 11715 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,2,0,0,0,0|2,0,0]=4 11716 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,2,0,0,0,0|2,0,0]=4 11717 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,2,0,0,0,0|2,0,0]=4 11718 B12R0.1 CCCCCCCCN(C)CCF 2230a_100000207567_100011217306 [0,2,0,0,0,0|2,0,0]=4 11719 B12R0.1 CCCCCCCCN(C)CCF 269982a_100000207567_100011217306 [0,2,0,0,0,0|2,0,0]=4 11720 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,2,0,0,0,0|2,0,0]=4 11721 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,2,0,0,0,0|2,0,0]=4 11722 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,2,0,0,0,0|2,0,0]=4 11723 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,2,0,0,0,0|2,0,0]=4 11724 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 11725 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 11726 B12R0.1 CCCCCCCCN(C)CSC 2230a_100000207567_100011218213 [0,2,0,0,0,0|2,0,0]=4 11727 B12R0.1 CCCCCCCCN(C)CSC 269982a_100000207567_100011218213 [0,2,0,0,0,0|2,0,0]=4 11728 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,2,0,0,0,0|0,0,2]=4 11729 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,2,0,0,0,0|0,0,2]=4 11730 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,2,0,0,0,0|0,0,2]=4 11731 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,2,0,0,0,0|0,0,2]=4 11732 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,2,0,0,0,0|0,0,2]=4 11733 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,2,0,0,0,0|0,0,2]=4 11734 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,2,0,0,0,0|0,0,1]=3 11735 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,2,0,0,0,0|0,0,1]=3 11736 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|0,0,0]=2 11737 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|0,0,0]=2 11738 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|0,0,0]=2 11739 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|0,0,0]=2 11740 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|0,0,0]=2 11741 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|0,0,0]=2 11742 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|0,0,0]=2 11743 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|0,0,0]=2 11744 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|0,0,0]=2 11745 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|0,0,0]=2 11746 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|0,0,0]=2 11747 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|0,0,0]=2 11748 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|0,0,0]=2 11749 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|0,0,0]=2 11750 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|0,0,0]=2 11751 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|0,0,0]=2 11752 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|0,0,0]=2 11753 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|0,0,0]=2 11754 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|0,0,0]=2 11755 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,2,0,0,0,0|1,0,0]=3 11756 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,2,0,0,0,0|1,0,0]=3 11757 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,2,0,0,0,0|1,0,0]=3 11758 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,2,0,0,0,0|1,0,1]=4 11759 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,2,0,0,0,0|1,0,1]=4 11760 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,2,0,0,0,0|1,0,1]=4 11761 B12R0.1 CCCCCCCNC(C)CCO 2230a_100000229938_100009893172 [0,2,0,0,0,0|1,0,1]=4 11762 B12R0.1 CCCCCCCNC(C)COC 2230a_100000229938_100000765312 [0,2,0,0,0,0|1,0,1]=4 11763 B12R0.1 CCCCCCCNC(C)COC 270004a_100000229938_100000749346 [0,2,0,0,0,0|1,0,1]=4 11764 B12R0.1 CCCCCCCNC(C)CSC 270004a_100000229938_100011216314 [0,2,0,0,0,0|1,0,1]=4 11765 B12R0.1 CCCCCCCN[C@H](C)CCO 2230a_100000706166_100000210681 [0,2,0,0,0,0|1,0,1]=4 11766 B12R0.1 CCCCCCCN[C@H](C)CCO 34a_100000706166_100000210614 [0,2,0,0,0,0|1,0,1]=4 11767 B12R0.1 CCCCCCCN[C@H](C)COC 2230a_100000764878_100000210681 [0,2,0,0,0,0|1,0,1]=4 11768 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,2,0,0,0,0|1,0,1]=4 11769 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,2,0,0,0,0|1,0,1]=4 11770 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,2,0,0,0,0|1,0,1]=4 11771 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,2,0,0,0,0|1,0,1]=4 11772 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,2,0,0,0,0|1,0,1]=4 11773 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,2,0,0,0,0|1,0,1]=4 11774 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,2,0,0,0,0|1,0,1]=4 11775 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,2,0,0,0,0|1,0,1]=4 11776 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,2,0,0,0,0|1,0,1]=4 11777 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,2,0,0,0,0|1,0,1]=4 11778 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,2,0,0,0,0|1,0,1]=4 11779 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,2,0,0,0,0|1,0,1]=4 11780 B12R0.1 CCCCCCCSC(C)CCO 62a_100000210614_100009893172 [0,2,0,0,0,0|1,0,1]=4 11781 B12R0.1 CCCCCCCSC(C)CCO 62a_100009893172_100000210316 [0,2,0,0,0,0|1,0,1]=4 11782 B12R0.1 CCCCCCCSC(C)COC 62a_100000210614_100000765312 [0,2,0,0,0,0|1,0,1]=4 11783 B12R0.1 CCCCCCCSC(C)COC 62a_100000765312_100000210316 [0,2,0,0,0,0|1,0,1]=4 11784 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|0,0,0]=2 11785 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|0,0,0]=2 11786 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|0,0,0]=2 11787 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,2,0,0,0,0|1,0,0]=3 11788 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|0,0,0]=2 11789 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,2,0,0,0,0|1,0,1]=4 11790 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,2,0,0,0,0|1,0,1]=4 11791 B12R0.1 CCCCCCNCC(O)COC 2230a_100000756049_100000210314 [0,2,0,0,0,0|0,0,2]=4 11792 B12R0.1 CCCCCCNCC(O)COC 34a_100000756049_100000210314 [0,2,0,0,0,0|0,0,2]=4 11793 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|0,0,0]=2 11794 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|0,0,0]=2 11795 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|0,0,0]=2 11796 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|1,0,0]=3 11797 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|1,0,0]=3 11798 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|0,0,0]=2 11799 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|0,0,0]=2 11800 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,2,0,0,0,0|1,0,1]=4 11801 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,2,0,0,0,0|1,0,1]=4 11802 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,2,0,0,0,0|1,0,1]=4 11803 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,2,0,0,0,0|1,0,1]=4 11804 B12R0.1 CCCCCCOCC(C)CCN 34a_106354213184_100000210314 [0,2,0,0,0,0|1,0,1]=4 11805 B12R0.1 CCCCCCOCC(N)COC 34a_100000724102_100000210314 [0,2,0,0,0,0|1,0,1]=4 11806 B12R0.1 CCCCCCOCC(O)COC 34a_100000210259_100011215053 [0,2,0,0,0,0|0,0,2]=4 11807 B12R0.1 CCCCCCOCC(O)COC 7a_100000210259_100011215053 [0,2,0,0,0,0|0,0,2]=4 11808 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,2,0,0,0,0|1,0,1]=4 11809 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|0,0,0]=2 11810 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|0,0,0]=2 11811 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|0,0,0]=2 11812 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|0,0,0]=2 11813 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,2,0,0,0,0|1,0,0]=3 11814 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,2,0,0,0,0|1,0,0]=3 11815 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|0,0,0]=2 11816 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|0,0,0]=2 11817 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,2,0,0,0,0|1,0,1]=4 11818 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,2,0,0,0,0|1,0,1]=4 11819 B12R0.1 CCCCCCSCC(O)COC 62a_100000210314_100011215053 [0,2,0,0,0,0|0,0,2]=4 11820 B12R0.1 CCCCCCSCC(O)COC 62a_100011215053_100000210757 [0,2,0,0,0,0|0,0,2]=4 11821 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,2,0,0,0,0|0,0,0]=2 11822 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,2,0,0,0,0|0,0,0]=2 11823 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|0,0,0]=2 11824 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,2,0,0,0,0|1,0,0]=3 11825 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,2,0,0,0,0|1,0,1]=4 11826 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,2,0,0,0,0|0,0,0]=2 11827 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|0,0,0]=2 11828 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|0,0,0]=2 11829 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,2,0,0,0,0|1,0,1]=4 11830 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,2,0,0,0,0|1,0,1]=4 11831 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,2,0,0,0,0|1,0,1]=4 11832 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,2,0,0,0,0|1,0,0]=3 11833 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,2,0,0,0,0|0,0,0]=2 11834 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,2,0,0,0,0|0,0,0]=2 11835 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|0,0,0]=2 11836 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|0,0,0]=2 11837 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,2,0,0,0,0|1,0,0]=3 11838 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,2,0,0,0,0|1,0,0]=3 11839 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,2,0,0,0,0|0,0,2]=4 11840 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,2,0,0,0,0|0,0,2]=4 11841 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|0,0,0]=2 11842 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|0,0,0]=2 11843 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,2,0,0,0,0|1,0,0]=3 11844 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,2,0,0,0,0|0,0,2]=4 11845 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,2,0,0,0,0|0,0,2]=4 11846 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|0,0,0]=2 11847 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|0,0,0]=2 11848 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|0,0,0]=2 11849 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,2,0,0,0,0|1,0,1]=4 11850 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,2,0,0,0,0|1,0,1]=4 11851 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,2,0,0,0,0|1,0,0]=3 11852 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,2,0,0,0,0|1,0,0]=3 11853 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,2,0,0,0,0|1,0,0]=3 11854 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,2,0,0,0,0|1,0,0]=3 11855 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,2,0,0,0,0|1,0,0]=3 11856 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,2,0,0,0,0|1,0,0]=3 11857 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,2,0,0,0,0|1,0,0]=3 11858 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,2,0,0,0,0|2,0,0]=4 11859 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,2,0,0,0,0|2,0,0]=4 11860 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,2,0,0,0,0|1,0,0]=3 11861 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,2,0,0,0,0|1,0,0]=3 11862 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,2,0,0,0,0|0,0,2]=4 11863 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,2,0,0,0,0|0,0,2]=4 11864 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|0,0,0]=2 11865 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|0,0,0]=2 11866 B12R0.1 CCCCSCCNC(=O)CC#N 1626a_100025743550_100051588842 [0,2,0,0,0,0|1,0,1]=4 11867 B12R0.1 CCCCSCCNC(=O)CC#N 240690a_100025743550_100051588842 [0,2,0,0,0,0|1,0,1]=4 11868 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 11869 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 11870 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 11871 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 11872 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,2,0,0,0,0|1,0,0]=3 11873 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,2,0,0,0,0|1,0,0]=3 11874 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,2,0,0,0,0|1,0,0]=3 11875 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,2,0,0,0,0|1,0,0]=3 11876 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,2,0,0,0,0|1,0,0]=3 11877 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,2,0,0,0,0|1,0,0]=3 11878 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,2,0,0,0,0|1,0,0]=3 11879 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,2,0,0,0,0|1,0,0]=3 11880 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,2,0,0,0,0|1,0,0]=3 11881 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,2,0,0,0,0|1,0,0]=3 11882 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,2,0,0,0,0|1,0,0]=3 11883 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,2,0,0,0,0|1,0,0]=3 11884 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,2,0,0,0,0|1,0,0]=3 11885 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,2,0,0,0,0|1,0,0]=3 11886 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,2,0,0,0,0|1,0,0]=3 11887 B12R0.1 CCCCSCCNC(=O)NNC 273464a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 11888 B12R0.1 CCCCSCCNC(=O)NNC 512a_100016993582_100025743550 [0,2,0,0,0,0|2,0,0]=4 11889 B12R0.1 CCCCSCCNC(=O)NNC 512a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 11890 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,2,0,0,0,0|1,0,0]=3 11891 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,2,0,0,0,0|2,0,0]=4 11892 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,2,0,0,0,0|2,0,0]=4 11893 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,2,0,0,0,0|2,0,0]=4 11894 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,2,0,0,0,0|2,0,0]=4 11895 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|0,0,0]=2 11896 B12R0.1 CCCOCCCNC(=O)CC#N 1626a_100011217757_100051588842 [0,2,0,0,0,0|1,0,1]=4 11897 B12R0.1 CCCOCCCNC(=O)CC#N 240690a_100011217757_100051588842 [0,2,0,0,0,0|1,0,1]=4 11898 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 11899 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 11900 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 11901 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,2,0,0,0,0|1,0,0]=3 11902 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,2,0,0,0,0|1,0,0]=3 11903 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,2,0,0,0,0|1,0,0]=3 11904 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,2,0,0,0,0|1,0,0]=3 11905 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,2,0,0,0,0|1,0,0]=3 11906 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,2,0,0,0,0|1,0,0]=3 11907 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,2,0,0,0,0|1,0,0]=3 11908 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,2,0,0,0,0|1,0,0]=3 11909 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,2,0,0,0,0|1,0,0]=3 11910 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,2,0,0,0,0|1,0,0]=3 11911 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,2,0,0,0,0|1,0,0]=3 11912 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,2,0,0,0,0|1,0,0]=3 11913 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,2,0,0,0,0|1,0,0]=3 11914 B12R0.1 CCCOCCCNC(=O)NNC 273464a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 11915 B12R0.1 CCCOCCCNC(=O)NNC 512a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 11916 B12R0.1 CCCOCCCNC(=O)NNC 512a_100016993582_100011217757 [0,2,0,0,0,0|2,0,0]=4 11917 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,2,0,0,0,0|1,0,0]=3 11918 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,2,0,0,0,0|1,0,0]=3 11919 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,2,0,0,0,0|1,0,0]=3 11920 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,2,0,0,0,0|1,0,0]=3 11921 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,2,0,0,0,0|2,0,0]=4 11922 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,2,0,0,0,0|2,0,0]=4 11923 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,2,0,0,0,0|1,0,0]=3 11924 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,2,0,0,0,0|1,0,0]=3 11925 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,2,0,0,0,0|1,0,0]=3 11926 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,2,0,0,0,0|1,0,0]=3 11927 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,2,0,0,0,0|1,0,0]=3 11928 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 11929 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 11930 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,2,0,0,0,0|1,0,0]=3 11931 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,2,0,0,0,0|1,0,0]=3 11932 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,2,0,0,0,0|1,0,0]=3 11933 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,2,0,0,0,0|1,0,0]=3 11934 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,2,0,0,0,0|1,0,0]=3 11935 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,2,0,0,0,0|1,0,0]=3 11936 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,2,0,0,0,0|1,0,0]=3 11937 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,2,0,0,0,0|2,0,0]=4 11938 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,2,0,0,0,0|2,0,0]=4 11939 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,2,0,0,0,0|1,0,0]=3 11940 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,2,0,0,0,0|1,0,0]=3 11941 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,2,0,0,0,0|1,0,0]=3 11942 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|0,0,0]=2 11943 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|0,0,0]=2 11944 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,2,0,0,0,0|1,0,0]=3 11945 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,2,0,0,0,0|1,0,0]=3 11946 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,2,0,0,0,0|2,0,0]=4 11947 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,2,0,0,0,0|1,0,0]=3 11948 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,2,0,0,0,0|1,0,0]=3 11949 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,2,0,0,0,0|1,0,0]=3 11950 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,2,0,0,0,0|1,0,0]=3 11951 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 11952 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 11953 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,2,0,0,0,0|1,0,0]=3 11954 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,2,0,0,0,0|1,0,0]=3 11955 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,2,0,0,0,0|1,0,0]=3 11956 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,2,0,0,0,0|1,0,0]=3 11957 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|0,0,0]=2 11958 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 11a_100015525214_100009870042 [0,2,0,0,0,0|2,0,0]=4 11959 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 240690a_100015525214_100009870042 [0,2,0,0,0,0|2,0,0]=4 11960 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 527a_100015525214_100009870042 [0,2,0,0,0,0|2,0,0]=4 11961 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [0,2,0,0,0,0|1,0,0]=3 11962 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,2,0,0,0,0|1,0,0]=3 11963 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,2,0,0,0,0|1,0,0]=3 11964 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [0,2,0,0,0,0|1,0,0]=3 11965 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [0,2,0,0,0,0|1,0,0]=3 11966 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [0,2,0,0,0,0|1,0,0]=3 11967 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [0,2,0,0,0,0|1,0,0]=3 11968 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [0,2,0,0,0,0|1,0,0]=3 11969 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [0,2,0,0,0,0|1,0,0]=3 11970 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,2,0,0,0,0|1,0,0]=3 11971 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,2,0,0,0,0|1,0,0]=3 11972 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,2,0,0,0,0|1,0,0]=3 11973 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,2,0,0,0,0|1,0,0]=3 11974 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,2,0,0,0,0|1,0,0]=3 11975 B12R0.1 CCNC(=O)CCSCCCC#N 62a_100000687738_100000737597 [0,2,0,0,0,0|1,0,1]=4 11976 B12R0.1 CCNC(=O)CCSCCCC#N 62a_100000737597_100000687738 [0,2,0,0,0,0|1,0,1]=4 11977 B12R0.1 CCNC(=O)CCSCCCC=O 62a_100000737597_200011292268 [0,2,0,0,0,0|1,0,1]=4 11978 B12R0.1 CCNC(=O)CCSCCCC=O 62a_200011292268_100000737597 [0,2,0,0,0,0|1,0,1]=4 11979 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [0,2,0,0,0,0|1,0,0]=3 11980 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [0,2,0,0,0,0|1,0,0]=3 11981 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,2,0,0,0,0|1,0,0]=3 11982 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,2,0,0,0,0|1,0,0]=3 11983 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [0,2,0,0,0,0|1,0,0]=3 11984 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [0,2,0,0,0,0|1,0,0]=3 11985 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [0,2,0,0,0,0|1,0,0]=3 11986 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [0,2,0,0,0,0|1,0,0]=3 11987 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [0,2,0,0,0,0|1,0,0]=3 11988 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [0,2,0,0,0,0|1,0,0]=3 11989 B12R0.1 CCNC(=O)CNCCCCC#N 2230a_100016988866_100000211819 [0,2,0,0,0,0|1,0,1]=4 11990 B12R0.1 CCNC(=O)CNCCCCC=O 2230a_100016988866_100000139335 [0,2,0,0,0,0|1,0,1]=4 11991 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,2,0,0,0,0|1,0,0]=3 11992 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,2,0,0,0,0|1,0,0]=3 11993 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,2,0,0,0,0|1,0,0]=3 11994 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,2,0,0,0,0|1,0,0]=3 11995 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,2,0,0,0,0|1,0,0]=3 11996 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,2,0,0,0,0|1,0,0]=3 11997 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,2,0,0,0,0|1,0,0]=3 11998 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,2,0,0,0,0|1,0,0]=3 11999 B12R0.1 CCNC(=O)CNCCOCCO 2230a_100000211614_100000183381 [0,2,0,0,0,0|2,0,0]=4 12000 B12R0.1 CCNC(=O)CNCCOCCO 2230a_100016988866_100011215305 [0,2,0,0,0,0|2,0,0]=4 12001 B12R0.1 CCNC(=O)CNCCOCCO 34a_100000211614_100000183381 [0,2,0,0,0,0|2,0,0]=4 12002 B12R0.1 CCNC(=O)CNCCSCCO 2230a_100011219999_100000183381 [0,2,0,0,0,0|2,0,0]=4 12003 B12R0.1 CCNC(=O)CNCOCCOC 2230a_100016988866_100000231047 [0,2,0,0,0,0|2,0,0]=4 12004 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,2,0,0,0,0|1,0,0]=3 12005 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,2,0,0,0,0|1,0,0]=3 12006 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,2,0,0,0,0|1,0,0]=3 12007 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,2,0,0,0,0|1,0,0]=3 12008 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,2,0,0,0,0|1,0,0]=3 12009 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,2,0,0,0,0|1,0,0]=3 12010 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,2,0,0,0,0|1,0,0]=3 12011 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,2,0,0,0,0|1,0,0]=3 12012 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,2,0,0,0,0|1,0,0]=3 12013 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,2,0,0,0,0|1,0,0]=3 12014 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,2,0,0,0,0|1,0,0]=3 12015 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,2,0,0,0,0|1,0,0]=3 12016 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,2,0,0,0,0|1,0,0]=3 12017 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,2,0,0,0,0|1,0,0]=3 12018 B12R0.1 CCNC(=O)COCCOCCBr 34a_100000692535_100000183381 [0,2,0,0,0,0|2,0,0]=4 12019 B12R0.1 CCNC(=O)COCCOCCBr 7a_100000692535_100000183381 [0,2,0,0,0,0|2,0,0]=4 12020 B12R0.1 CCNC(=O)COCCOCCCl 34a_100011215305_100000183381 [0,2,0,0,0,0|2,0,0]=4 12021 B12R0.1 CCNC(=O)COCCOCCCl 7a_100011215305_100000183381 [0,2,0,0,0,0|2,0,0]=4 12022 B12R0.1 CCNC(=O)COCCOCCF 34a_200015357709_100000183381 [0,2,0,0,0,0|2,0,0]=4 12023 B12R0.1 CCNC(=O)COCCOCCF 7a_200015357709_100000183381 [0,2,0,0,0,0|2,0,0]=4 12024 B12R0.1 CCNC(=O)COCCOCCI 34a_100012149058_100000183381 [0,2,0,0,0,0|2,0,0]=4 12025 B12R0.1 CCNC(=O)COCCOCCI 7a_100012149058_100000183381 [0,2,0,0,0,0|2,0,0]=4 12026 B12R0.1 CCNC(=O)COCCOCCN 34a_100000211614_100000183381 [0,2,0,0,0,0|2,0,0]=4 12027 B12R0.1 CCNC(=O)COCCOCCO 240690a_100015525214_106645077154 [0,2,0,0,0,0|2,0,0]=4 12028 B12R0.1 CCNC(=O)CSCCCCC#N 62a_100000183381_100000211819 [0,2,0,0,0,0|1,0,1]=4 12029 B12R0.1 CCNC(=O)CSCCCCC#N 62a_100011219923_100000183381 [0,2,0,0,0,0|1,0,1]=4 12030 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000139335_100000183381 [0,2,0,0,0,0|1,0,1]=4 12031 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000183381_100000139335 [0,2,0,0,0,0|1,0,1]=4 12032 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,2,0,0,0,0|1,0,0]=3 12033 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,2,0,0,0,0|1,0,0]=3 12034 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,2,0,0,0,0|1,0,0]=3 12035 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,2,0,0,0,0|1,0,0]=3 12036 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,2,0,0,0,0|1,0,0]=3 12037 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,2,0,0,0,0|1,0,0]=3 12038 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,2,0,0,0,0|1,0,0]=3 12039 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,2,0,0,0,0|1,0,0]=3 12040 B12R0.1 CCNC(=O)CSCCOCCO 62a_100000183381_100011215305 [0,2,0,0,0,0|2,0,0]=4 12041 B12R0.1 CCNC(=O)CSCCOCCO 62a_100011215305_100000183381 [0,2,0,0,0,0|2,0,0]=4 12042 B12R0.1 CCNC(=O)CSCOCCOC 62a_100000183381_100000231047 [0,2,0,0,0,0|2,0,0]=4 12043 B12R0.1 CCNC(=O)CSCOCCOC 62a_100000231047_100000183381 [0,2,0,0,0,0|2,0,0]=4 12044 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100000061152_100015525214 [0,2,0,0,0,0|1,0,1]=4 12045 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100015525214_100000061152 [0,2,0,0,0,0|1,0,1]=4 12046 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100000061152_100015525214 [0,2,0,0,0,0|1,0,1]=4 12047 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100015525214_100000061152 [0,2,0,0,0,0|1,0,1]=4 12048 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100000061152_100015525214 [0,2,0,0,0,0|1,0,1]=4 12049 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100015525214_100000061152 [0,2,0,0,0,0|1,0,1]=4 12050 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,2,0,0,0,0|1,0,0]=3 12051 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,2,0,0,0,0|1,0,0]=3 12052 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,2,0,0,0,0|1,0,0]=3 12053 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,2,0,0,0,0|1,0,0]=3 12054 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,2,0,0,0,0|1,0,0]=3 12055 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,2,0,0,0,0|1,0,0]=3 12056 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,2,0,0,0,0|1,0,0]=3 12057 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,2,0,0,0,0|1,0,0]=3 12058 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,2,0,0,0,0|1,0,0]=3 12059 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,2,0,0,0,0|1,0,0]=3 12060 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,2,0,0,0,0|1,0,0]=3 12061 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 12062 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100015525214_100000745349 [0,2,0,0,0,0|2,0,0]=4 12063 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 12064 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100015525214_100000745349 [0,2,0,0,0,0|2,0,0]=4 12065 B12R0.1 CCNC(=O)NCCOCCOC 512a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 12066 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|0,0,0]=2 12067 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,2,0,0,0,0|1,0,0]=3 12068 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|0,0,0]=2 12069 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|0,0,0]=2 12070 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|0,0,0]=2 12071 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|0,0,0]=2 12072 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|0,0,0]=2 12073 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|0,0,0]=2 12074 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,2,0,0,0,0|1,0,0]=3 12075 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|0,0,0]=2 12076 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|0,0,0]=2 12077 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,2,0,0,0,0|1,0,0]=3 12078 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,2,0,0,0,0|1,0,0]=3 12079 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,2,0,0,0,0|1,0,0]=3 12080 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,2,0,0,0,0|1,0,0]=3 12081 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,2,0,0,0,0|1,0,0]=3 12082 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,2,0,0,0,0|1,0,0]=3 12083 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,2,0,0,0,0|1,0,0]=3 12084 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100000750268_100011215382 [0,2,0,0,0,0|1,0,1]=4 12085 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100011215382_100000750268 [0,2,0,0,0,0|1,0,1]=4 12086 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,2,0,0,0,0|1,0,1]=4 12087 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,2,0,0,0,0|1,0,1]=4 12088 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,2,0,0,0,0|1,0,0]=3 12089 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,2,0,0,0,0|1,0,0]=3 12090 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,2,0,0,0,0|1,0,0]=3 12091 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,2,0,0,0,0|1,0,0]=3 12092 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,2,0,0,0,0|1,0,0]=3 12093 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,2,0,0,0,0|1,0,0]=3 12094 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,2,0,0,0,0|1,0,0]=3 12095 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,2,0,0,0,0|1,0,0]=3 12096 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,2,0,0,0,0|1,0,0]=3 12097 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,2,0,0,0,0|1,0,0]=3 12098 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,2,0,0,0,0|1,0,0]=3 12099 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,2,0,0,0,0|1,0,0]=3 12100 B12R0.1 CCOC(=O)CCCOCCC#N 7a_100012001163_100000184422 [0,2,0,0,0,0|1,0,1]=4 12101 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,2,0,0,0,0|1,0,0]=3 12102 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,2,0,0,0,0|1,0,0]=3 12103 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,2,0,0,0,0|1,0,0]=3 12104 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,2,0,0,0,0|1,0,0]=3 12105 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,2,0,0,0,0|1,0,0]=3 12106 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,2,0,0,0,0|1,0,0]=3 12107 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,2,0,0,0,0|1,0,0]=3 12108 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,2,0,0,0,0|1,0,0]=3 12109 B12R0.1 CCOC(=O)CCCOCCON 34a_100000700252_100009991533 [0,2,0,0,0,0|2,0,0]=4 12110 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,2,0,0,0,0|1,0,0]=3 12111 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,2,0,0,0,0|1,0,0]=3 12112 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,2,0,0,0,0|1,0,0]=3 12113 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100009991533_100011215226 [0,2,0,0,0,0|1,0,1]=4 12114 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100011215226_100009991533 [0,2,0,0,0,0|1,0,1]=4 12115 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,2,0,0,0,0|1,0,0]=3 12116 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,2,0,0,0,0|1,0,0]=3 12117 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,2,0,0,0,0|1,0,0]=3 12118 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,2,0,0,0,0|1,0,0]=3 12119 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,2,0,0,0,0|1,0,0]=3 12120 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,2,0,0,0,0|1,0,0]=3 12121 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,2,0,0,0,0|1,0,0]=3 12122 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,2,0,0,0,0|1,0,0]=3 12123 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,2,0,0,0,0|1,0,0]=3 12124 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,2,0,0,0,0|1,0,0]=3 12125 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,2,0,0,0,0|1,0,0]=3 12126 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,2,0,0,0,0|1,0,0]=3 12127 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,2,0,0,0,0|1,0,0]=3 12128 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,2,0,0,0,0|1,0,0]=3 12129 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,2,0,0,0,0|1,0,0]=3 12130 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,2,0,0,0,0|1,0,0]=3 12131 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,2,0,0,0,0|1,0,0]=3 12132 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,2,0,0,0,0|1,0,0]=3 12133 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,2,0,0,0,0|1,0,0]=3 12134 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,2,0,0,0,0|1,0,0]=3 12135 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,2,0,0,0,0|1,0,0]=3 12136 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,2,0,0,0,0|1,0,0]=3 12137 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,2,0,0,0,0|1,0,0]=3 12138 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,2,0,0,0,0|1,0,0]=3 12139 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,2,0,0,0,0|1,0,0]=3 12140 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,2,0,0,0,0|1,0,0]=3 12141 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [0,2,0,0,0,0|1,0,1]=4 12142 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [0,2,0,0,0,0|1,0,1]=4 12143 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,2,0,0,0,0|1,0,1]=4 12144 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,2,0,0,0,0|1,0,1]=4 12145 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,2,0,0,0,0|1,0,0]=3 12146 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,2,0,0,0,0|1,0,0]=3 12147 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,2,0,0,0,0|1,0,0]=3 12148 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,2,0,0,0,0|1,0,0]=3 12149 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,2,0,0,0,0|1,0,0]=3 12150 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,2,0,0,0,0|1,0,0]=3 12151 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,2,0,0,0,0|1,0,0]=3 12152 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,2,0,0,0,0|1,0,0]=3 12153 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,2,0,0,0,0|1,0,0]=3 12154 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,2,0,0,0,0|1,0,0]=3 12155 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [0,2,0,0,0,0|2,0,0]=4 12156 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [0,2,0,0,0,0|2,0,0]=4 12157 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [0,2,0,0,0,0|2,0,0]=4 12158 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,2,0,0,0,0|1,0,0]=3 12159 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,2,0,0,0,0|1,0,0]=3 12160 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,2,0,0,0,0|1,0,0]=3 12161 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,2,0,0,0,0|1,0,0]=3 12162 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,2,0,0,0,0|1,0,0]=3 12163 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,2,0,0,0,0|1,0,0]=3 12164 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,2,0,0,0,0|1,0,0]=3 12165 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,2,0,0,0,0|1,0,0]=3 12166 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,2,0,0,0,0|1,0,0]=3 12167 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,2,0,0,0,0|1,0,0]=3 12168 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,2,0,0,0,0|1,0,0]=3 12169 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,2,0,0,0,0|1,0,0]=3 12170 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,2,0,0,0,0|1,0,0]=3 12171 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,2,0,0,0,0|1,0,0]=3 12172 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,2,0,0,0,0|2,0,0]=4 12173 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,2,0,0,0,0|2,0,0]=4 12174 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,2,0,0,0,0|2,0,0]=4 12175 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,2,0,0,0,0|2,0,0]=4 12177 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,2,0,0,0,0|2,0,0]=4 12178 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,2,0,0,0,0|2,0,0]=4 12179 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,2,0,0,0,0|2,0,0]=4 12180 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,2,0,0,0,0|2,0,0]=4 12181 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,2,0,0,0,0|2,0,0]=4 12182 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,2,0,0,0,0|2,0,0]=4 12183 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,2,0,0,0,0|2,0,0]=4 12184 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,2,0,0,0,0|2,0,0]=4 12185 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,2,0,0,0,0|2,0,0]=4 12186 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,2,0,0,0,0|2,0,0]=4 12187 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,2,0,0,0,0|2,0,0]=4 12188 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,2,0,0,0,0|2,0,0]=4 12189 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,2,0,0,0,0|2,0,0]=4 12190 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,2,0,0,0,0|2,0,0]=4 12191 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,2,0,0,0,0|2,0,0]=4 12192 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,2,0,0,0,0|2,0,0]=4 12193 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,2,0,0,0,0|2,0,0]=4 12194 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,2,0,0,0,0|2,0,0]=4 12195 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,2,0,0,0,0|2,0,0]=4 12196 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [0,2,0,0,0,0|1,0,1]=4 12197 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [0,2,0,0,0,0|1,0,1]=4 12198 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,2,0,0,0,0|1,0,1]=4 12199 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,2,0,0,0,0|1,0,1]=4 12200 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,2,0,0,0,0|1,0,0]=3 12201 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,2,0,0,0,0|1,0,0]=3 12202 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,2,0,0,0,0|1,0,0]=3 12203 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,2,0,0,0,0|1,0,0]=3 12204 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,2,0,0,0,0|1,0,0]=3 12205 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,2,0,0,0,0|1,0,0]=3 12206 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [0,2,0,0,0,0|2,0,0]=4 12207 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [0,2,0,0,0,0|2,0,0]=4 12208 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [0,2,0,0,0,0|2,0,0]=4 12209 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [0,2,0,0,0,0|2,0,0]=4 12210 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [0,2,0,0,0,0|2,0,0]=4 12211 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [0,2,0,0,0,0|2,0,0]=4 12212 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,2,0,0,0,0|2,0,0]=4 12213 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,2,0,0,0,0|2,0,0]=4 12214 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,2,0,0,0,0|2,0,0]=4 12215 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,2,0,0,0,0|2,0,0]=4 12216 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,2,0,0,0,0|2,0,0]=4 12217 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,2,0,0,0,0|2,0,0]=4 12218 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,2,0,0,0,0|2,0,0]=4 12219 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,2,0,0,0,0|2,0,0]=4 12220 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,2,0,0,0,0|2,0,0]=4 12221 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,2,0,0,0,0|2,0,0]=4 12222 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,2,0,0,0,0|2,0,0]=4 12223 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,2,0,0,0,0|2,0,0]=4 12224 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,2,0,0,0,0|2,0,0]=4 12225 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|0,0,0]=2 12226 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|0,0,0]=2 12227 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,2,0,0,0,0|2,0,0]=4 12228 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,2,0,0,0,0|2,0,0]=4 12229 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,2,0,0,0,0|1,0,0]=3 12230 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,2,0,0,0,0|1,0,0]=3 12231 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 12232 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 12233 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,2,0,0,0,0|1,0,0]=3 12234 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,2,0,0,0,0|1,0,0]=3 12235 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,2,0,0,0,0|1,0,0]=3 12236 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,2,0,0,0,0|2,0,0]=4 12237 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,2,0,0,0,0|1,0,0]=3 12239 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,2,0,0,0,0|1,0,0]=3 12240 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,2,0,0,0,0|1,0,0]=3 12241 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,2,0,0,0,0|1,0,0]=3 12242 B12R0.1 CCOCCOCCC(=O)CC#N 1458a_100051588842_100011211534 [0,2,0,0,0,0|1,0,1]=4 12243 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,2,0,0,0,0|1,0,0]=3 12244 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,2,0,0,0,0|1,0,0]=3 12245 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [0,2,0,0,0,0|1,0,0]=3 12246 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,2,0,0,0,0|1,0,0]=3 12247 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,2,0,0,0,0|1,0,0]=3 12248 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,2,0,0,0,0|1,0,0]=3 12249 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,2,0,0,0,0|1,0,0]=3 12250 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,2,0,0,0,0|2,0,0]=4 12251 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,2,0,0,0,0|1,0,0]=3 12252 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,2,0,0,0,0|1,0,0]=3 12253 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,2,0,0,0,0|2,0,0]=4 12254 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 12255 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 12256 B12R0.1 CN(CCO)CCCCCCCO 2230a_100000210263_100000760002 [0,2,0,0,0,0|2,0,0]=4 12257 B12R0.1 CN(CCO)CCCCCCCO 269982a_100000210263_100000760002 [0,2,0,0,0,0|2,0,0]=4 12258 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,2,0,0,0,0|1,0,0]=3 12259 B12R0.1 CNNC(=O)NCCCCCCO 273464a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 12260 B12R0.1 CNNC(=O)NCCCCCCO 512a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 12261 B12R0.1 CNNC(=O)NCCCCCCO 512a_100016993582_100000686447 [0,2,0,0,0,0|2,0,0]=4 12262 B12R0.1 CNNC(=O)NCCCCCOC 273464a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 12263 B12R0.1 CNNC(=O)NCCCCCOC 512a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 12264 B12R0.1 CNNC(=O)NCCCCCOC 512a_100016993582_100000747528 [0,2,0,0,0,0|2,0,0]=4 12265 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,2,0,0,0,0|0,0,1]=3 12266 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|0,0,0]=2 12267 B12R0.1 COCC(=O)NCCCCCC#N 11a_100000061152_100000210968 [0,2,0,0,0,0|1,0,1]=4 12268 B12R0.1 COCC(=O)NCCCCCC#N 1626a_100000061152_100000210968 [0,2,0,0,0,0|1,0,1]=4 12269 B12R0.1 COCC(=O)NCCCCCC#N 240690a_100000061152_100000210968 [0,2,0,0,0,0|1,0,1]=4 12270 B12R0.1 COCC(=O)NCCCCCC#N 527a_100000061152_100000210968 [0,2,0,0,0,0|1,0,1]=4 12271 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|1,0,0]=3 12272 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|1,0,0]=3 12273 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,2,0,0,0,0|0,0,2]=4 12274 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,2,0,0,0,0|0,0,2]=4 12275 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,2,0,0,0,0|0,0,2]=4 12276 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [0,2,0,0,0,0|0,0,1]=3 12277 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|0,0,0]=2 12278 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|0,0,0]=2 12279 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|0,0,0]=2 12280 B12R0.1 COCCCCCCN(C)CCO 2230a_100000210263_100011998445 [0,2,0,0,0,0|2,0,0]=4 12281 B12R0.1 COCCCCCCN(C)CCO 269982a_100000210263_100011998445 [0,2,0,0,0,0|2,0,0]=4 12282 B12R0.1 COCCCCCNC(=O)CC#N 1626a_100000747528_100051588842 [0,2,0,0,0,0|1,0,1]=4 12283 B12R0.1 COCCCCCNC(=O)CC#N 240690a_100000747528_100051588842 [0,2,0,0,0,0|1,0,1]=4 12284 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,2,0,0,0,0|1,0,0]=3 12285 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,2,0,0,0,0|1,0,0]=3 12286 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,2,0,0,0,0|1,0,0]=3 12287 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,2,0,0,0,0|1,0,0]=3 12288 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,2,0,0,0,0|1,0,0]=3 12289 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,2,0,0,0,0|1,0,0]=3 12290 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,2,0,0,0,0|1,0,0]=3 12291 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,2,0,0,0,0|1,0,0]=3 12292 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,2,0,0,0,0|1,0,0]=3 12293 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,2,0,0,0,0|2,0,0]=4 12294 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,2,0,0,0,0|2,0,0]=4 12295 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,2,0,0,0,0|2,0,0]=4 12296 B12R0.1 COCCOCCCC(=O)CC#N 1458a_100051588842_100011216529 [0,2,0,0,0,0|1,0,1]=4 12297 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,2,0,0,0,0|1,0,0]=3 12298 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,2,0,0,0,0|1,0,0]=3 12299 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,2,0,0,0,0|1,0,0]=3 12300 B12R0.1 COCCOCCNC(=O)CCO 240690a_100000745349_100011216618 [0,2,0,0,0,0|2,0,0]=4 12301 B12R0.1 COCCOCCNC(=O)COC 11a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 12302 B12R0.1 COCCOCCNC(=O)COC 1626a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 12303 B12R0.1 COCCOCCNC(=O)COC 240690a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 12304 B12R0.1 COCCOCCNC(=O)COC 527a_100000745349_100000210968 [0,2,0,0,0,0|2,0,0]=4 12305 B12R0.1 COCCOCCNC(=O)CSC 11a_100000745349_100000184570 [0,2,0,0,0,0|2,0,0]=4 12306 B12R0.1 COCCOCCNC(=O)CSC 1626a_100000745349_100000184570 [0,2,0,0,0,0|2,0,0]=4 12307 B12R0.1 COCCOCCNC(=O)CSC 240690a_100000745349_100000184570 [0,2,0,0,0,0|2,0,0]=4 12308 B12R0.1 COCCOCCNC(=O)CSC 527a_100000745349_100000184570 [0,2,0,0,0,0|2,0,0]=4 12309 B12R0.1 CSCC(=O)CCCCCCC#N 1458a_100000184570_100009813337 [0,2,0,0,0,0|0,0,1]=3 12310 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|0,0,0]=2 12311 B12R0.1 CSCC(=O)NCCCCCC#N 11a_100000061152_100000184570 [0,2,0,0,0,0|1,0,1]=4 12312 B12R0.1 CSCC(=O)NCCCCCC#N 1626a_100000061152_100000184570 [0,2,0,0,0,0|1,0,1]=4 12313 B12R0.1 CSCC(=O)NCCCCCC#N 240690a_100000061152_100000184570 [0,2,0,0,0,0|1,0,1]=4 12314 B12R0.1 CSCC(=O)NCCCCCC#N 527a_100000061152_100000184570 [0,2,0,0,0,0|1,0,1]=4 12315 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,2,0,0,0,0|1,0,0]=3 12316 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,2,0,0,0,0|1,0,0]=3 12317 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 12318 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 12319 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,2,0,0,0,0|0,0,1]=3 12320 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,2,0,0,0,0|0,0,1]=3 12321 B12R0.1 N#CCC(=O)NCCCCCCO 240690a_100000686447_100051588842 [0,2,0,0,0,0|1,0,1]=4 12322 B12R0.1 N#CCCCCCCC(=O)CC#N 1458a_100051588842_100009813337 [0,2,0,0,0,0|0,0,2]=4 12323 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,2,0,0,0,0|0,0,1]=3 12324 B12R0.1 N#CCCCCCNC(=O)CCO 240690a_100000061152_100011216618 [0,2,0,0,0,0|1,0,1]=4 12325 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 12326 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,2,0,0,0,0|0,0,2]=4 12327 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,2,0,0,0,0|0,0,2]=4 12328 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,2,0,0,0,0|0,0,2]=4 12329 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|0,0,0]=2 12330 B12R0.1 O=C(CCF)COCCOCCO 1458a_106645077154_100011217306 [0,2,0,0,0,0|2,0,0]=4 12331 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|0,0,0]=2 12332 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|0,0,0]=2 12333 B12R0.1 O=C(CCO)COCCOCCO 1458a_106645077154_100000211926 [0,2,0,0,0,0|2,0,0]=4 12334 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,2,0,0,0,0|1,0,0]=3 12335 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 12336 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 12337 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 12338 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 12339 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 12340 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 12341 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 12342 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 12343 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,2,0,0,0,0|2,0,0]=4 12344 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,2,0,0,0,0|2,0,0]=4 12345 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,2,0,0,0,0|2,0,0]=4 12346 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 12347 B12R0.1 [N-]=[N+]=NCCCCCC(=O)CCF 1458a_100009870042_100011217306 [0,2,0,0,0,0|2,0,0]=4 12348 B12R0.1 [N-]=[N+]=NCCCCCC(=O)CCO 1458a_100009870042_100000211926 [0,2,0,0,0,0|2,0,0]=4 12349 B12R0.4 C#CCCCCCC(=O)CC(=C)C 1458a_100000694772_100000748629 [0,2,0,0,0,0|0,0,2]=4 12350 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000210554_100012094781 [0,2,0,0,0,0|0,0,2]=4 12351 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000694772_100000210624 [0,2,0,0,0,0|0,0,2]=4 12352 B12R0.4 C#CCCCCCC(=O)CC(C)O 1458a_100000694772_100011218427 [0,2,0,0,0,0|0,0,2]=4 12353 B12R0.4 C#CCCCCCC(=O)CC(F)F 1458a_100000694772_100011934356 [0,2,0,0,0,0|0,0,2]=4 12354 B12R0.4 C#CCCCCCC(=O)CN(C)C 1458a_100000750896_100012094781 [0,2,0,0,0,0|0,0,2]=4 12355 B12R0.4 C#CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012094781 [0,2,0,0,0,0|0,0,2]=4 12356 B12R0.4 C#CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100012094781 [0,2,0,0,0,0|0,0,2]=4 12357 B12R0.4 C#CCCCCCC(=O)NC(C)C 11a_100138425928_100000694772 [0,2,0,0,0,0|0,0,2]=4 12358 B12R0.4 C#CCCCCCC(=O)NC(C)C 1626a_100138425928_100000694772 [0,2,0,0,0,0|0,0,2]=4 12359 B12R0.4 C#CCCCCCC(=O)NC(C)C 240690a_100138425928_100000694772 [0,2,0,0,0,0|0,0,2]=4 12360 B12R0.4 C#CCCCCCC(=O)NC(C)C 527a_100138425928_100000694772 [0,2,0,0,0,0|0,0,2]=4 12361 B12R0.4 C=C(C)CC(=O)C#CCCCCC 1458a_100011215388_100000748629 [0,2,0,0,0,0|0,0,2]=4 12362 B12R0.4 C=C(C)CC(=O)C/C=C/CCCC 1458a_200016282684_100000748629 [0,2,0,0,0,0|0,0,2]=4 12363 B12R0.4 C=C(C)CC(=O)C=CCCCCC 1458a_100016263427_100000748629 [0,2,0,0,0,0|0,0,2]=4 12364 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|0,0,0]=2 12365 B12R0.4 C=C(C)CC(=O)CCCCCCO 1458a_100011996774_100000748629 [0,2,0,0,0,0|1,0,0]=3 12366 B12R0.4 C=C(C)CC(=O)CCCCCOC 1458a_100011935119_100000748629 [0,2,0,0,0,0|1,0,0]=3 12367 B12R0.4 C=C(C)CC(=O)CCOCCOC 1458a_100000745395_100000748629 [0,2,0,0,0,0|2,0,0]=4 12368 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 12369 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 12370 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 12371 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 12372 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,2,0,0,0,0|0,0,1]=3 12373 B12R0.4 C=C(F)CC(=O)CCCCCCO 1458a_100011996774_100009893438 [0,2,0,0,0,0|1,0,1]=4 12374 B12R0.4 C=C(F)CC(=O)CCCCCOC 1458a_100011935119_100009893438 [0,2,0,0,0,0|1,0,1]=4 12375 B12R0.4 C=CCCCCCC(=O)CC(=C)C 1458a_100011934241_100000748629 [0,2,0,0,0,0|0,0,2]=4 12376 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100000210554_100000700193 [0,2,0,0,0,0|0,0,2]=4 12377 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100011934241_100000210624 [0,2,0,0,0,0|0,0,2]=4 12378 B12R0.4 C=CCCCCCC(=O)CC(C)O 1458a_100011934241_100011218427 [0,2,0,0,0,0|0,0,2]=4 12379 B12R0.4 C=CCCCCCC(=O)CC(F)F 1458a_100011934241_100011934356 [0,2,0,0,0,0|0,0,2]=4 12380 B12R0.4 C=CCCCCCC(=O)CN(C)C 1458a_100000750896_100000700193 [0,2,0,0,0,0|0,0,2]=4 12381 B12R0.4 C=CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000700193 [0,2,0,0,0,0|0,0,2]=4 12382 B12R0.4 C=CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000700193 [0,2,0,0,0,0|0,0,2]=4 12383 B12R0.4 C=CCCCCCC(=O)NC(C)C 11a_100138425928_100011934241 [0,2,0,0,0,0|0,0,2]=4 12384 B12R0.4 C=CCCCCCC(=O)NC(C)C 1626a_100138425928_100011934241 [0,2,0,0,0,0|0,0,2]=4 12385 B12R0.4 C=CCCCCCC(=O)NC(C)C 240690a_100138425928_100011934241 [0,2,0,0,0,0|0,0,2]=4 12386 B12R0.4 C=CCCCCCC(=O)NC(C)C 527a_100138425928_100011934241 [0,2,0,0,0,0|0,0,2]=4 12387 B12R0.4 CC(=CC(=O)CCCCCCF)C 1458a_100000211388_100015922095 [0,2,0,0,0,0|1,0,1]=4 12388 B12R0.4 CC(=CC(=O)CCCCCCF)Cl 1458a_200042562850_100015922095 [0,2,0,0,0,0|1,0,1]=4 12389 B12R0.4 CC(=CC(=O)CCCCCCF)I 1458a_100025716642_100015922095 [0,2,0,0,0,0|1,0,1]=4 12390 B12R0.4 CC(=CC(=O)CCCCCCO)C 1458a_100000211388_100000766143 [0,2,0,0,0,0|1,0,1]=4 12391 B12R0.4 CC(=CC(=O)CCCCCCO)Cl 1458a_200042562850_100000766143 [0,2,0,0,0,0|1,0,1]=4 12392 B12R0.4 CC(=CC(=O)CCCCCCO)I 1458a_100025716642_100000766143 [0,2,0,0,0,0|1,0,1]=4 12393 B12R0.4 CC(C)CC(=O)CCCCCC#N 1458a_100000210554_100009813376 [0,2,0,0,0,0|1,0,1]=4 12394 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [0,2,0,0,0,0|1,0,0]=3 12395 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [0,2,0,0,0,0|1,0,0]=3 12396 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [0,2,0,0,0,0|1,0,0]=3 12397 B12R0.4 CC(C)CC(=O)NCCCCCO 240690a_100000762737_100000210554 [0,2,0,0,0,0|2,0,0]=4 12398 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [0,2,0,0,0,0|1,0,0]=3 12399 B12R0.4 CC(C)NC(=O)CCNCCCF 2230a_100015189416_100000737564 [0,2,0,0,0,0|2,0,0]=4 12400 B12R0.4 CC(C)NC(=O)CCSCCCF 62a_100000737564_100011934791 [0,2,0,0,0,0|2,0,0]=4 12401 B12R0.4 CC(C)NC(=O)CCSCCCF 62a_100011934791_100000737564 [0,2,0,0,0,0|2,0,0]=4 12402 B12R0.4 CC(C)NC(=O)CCSCCCO 62a_100000737564_100011215043 [0,2,0,0,0,0|2,0,0]=4 12403 B12R0.4 CC(C)NC(=O)CCSCCCO 62a_100011215043_100000737564 [0,2,0,0,0,0|2,0,0]=4 12404 B12R0.4 CC(C)NC(=O)CNCCCCF 2230a_100000168517_100000729493 [0,2,0,0,0,0|2,0,0]=4 12405 B12R0.4 CC(C)NC(=O)CNCCCCO 2230a_100000168517_100000210776 [0,2,0,0,0,0|2,0,0]=4 12406 B12R0.4 CC(C)NC(=O)CNCCCCO 2230a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 12407 B12R0.4 CC(C)NC(=O)CNCCCCO 34a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 12408 B12R0.4 CC(C)NC(=O)COCCCCBr 34a_100011216708_100000183996 [0,2,0,0,0,0|2,0,0]=4 12409 B12R0.4 CC(C)NC(=O)COCCCCCl 34a_100000210776_100000183996 [0,2,0,0,0,0|2,0,0]=4 12410 B12R0.4 CC(C)NC(=O)COCCCCCl 7a_100000210776_100000183996 [0,2,0,0,0,0|2,0,0]=4 12411 B12R0.4 CC(C)NC(=O)COCCCCF 34a_100011995726_100000183996 [0,2,0,0,0,0|2,0,0]=4 12412 B12R0.4 CC(C)NC(=O)COCCCCF 7a_100011995726_100000183996 [0,2,0,0,0,0|2,0,0]=4 12413 B12R0.4 CC(C)NC(=O)COCCCCI 34a_200012148704_100000183996 [0,2,0,0,0,0|2,0,0]=4 12414 B12R0.4 CC(C)NC(=O)COCCCCN 34a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 12415 B12R0.4 CC(C)NC(=O)CSCCCCF 62a_100000183996_100000729493 [0,2,0,0,0,0|2,0,0]=4 12416 B12R0.4 CC(C)NC(=O)CSCCCCF 62a_100000729493_100000183996 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.4 CC(C)NC(=O)CSCCCCO 62a_100000183996_100000210776 [0,2,0,0,0,0|2,0,0]=4 12418 B12R0.4 CC(C)NC(=O)CSCCCCO 62a_100000210776_100000183996 [0,2,0,0,0,0|2,0,0]=4 12419 B12R0.4 CC(C)NC(=O)NCCCCCO 2708a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 12420 B12R0.4 CC(C)NC(=O)NCCCCCO 273464a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 12421 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100000762737_100138425928 [0,2,0,0,0,0|2,0,0]=4 12422 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 12423 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [0,2,0,0,0,0|1,0,0]=3 12424 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [0,2,0,0,0,0|1,0,0]=3 12425 B12R0.4 CC(C)OC(=O)CCNCCCF 2230a_100015189416_100000760027 [0,2,0,0,0,0|2,0,0]=4 12426 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100000760027_100011934791 [0,2,0,0,0,0|2,0,0]=4 12427 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100011934791_100000760027 [0,2,0,0,0,0|2,0,0]=4 12428 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100000760027_100011215043 [0,2,0,0,0,0|2,0,0]=4 12429 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100011215043_100000760027 [0,2,0,0,0,0|2,0,0]=4 12430 B12R0.4 CC(C)OC(=O)CNCCCCO 2230a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 12431 B12R0.4 CC(C)OC(=O)CNCCCCO 34a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 12432 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [0,2,0,0,0,0|2,0,0]=4 12433 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [0,2,0,0,0,0|2,0,0]=4 12434 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [0,2,0,0,0,0|2,0,0]=4 12435 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [0,2,0,0,0,0|2,0,0]=4 12436 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [0,2,0,0,0,0|2,0,0]=4 12437 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [0,2,0,0,0,0|2,0,0]=4 12438 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [0,2,0,0,0,0|2,0,0]=4 12439 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100000729493_100011215430 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100011215430_100000729493 [0,2,0,0,0,0|2,0,0]=4 12441 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100000210776_100011215430 [0,2,0,0,0,0|2,0,0]=4 12442 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100011215430_100000210776 [0,2,0,0,0,0|2,0,0]=4 12443 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,2,0,0,0,0|1,0,0]=3 12444 B12R0.4 CCCC/C=C/CC(=O)CC(C)C 1458a_200016282684_100000210624 [0,2,0,0,0,0|0,0,2]=4 12445 B12R0.4 CCCC/C=C/CC(=O)CC(C)O 1458a_200016282684_100011218427 [0,2,0,0,0,0|0,0,2]=4 12446 B12R0.4 CCCC/C=C/CC(=O)CC(F)F 1458a_200016282684_100011934356 [0,2,0,0,0,0|0,0,2]=4 12447 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016282684 [0,2,0,0,0,0|0,0,2]=4 12448 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016282684 [0,2,0,0,0,0|0,0,2]=4 12449 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016282684 [0,2,0,0,0,0|0,0,2]=4 12450 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016282684 [0,2,0,0,0,0|0,0,2]=4 12451 B12R0.4 CCCCCC#CC(=O)CC(C)C 1458a_100011215388_100000210624 [0,2,0,0,0,0|0,0,2]=4 12452 B12R0.4 CCCCCC#CC(=O)CC(C)O 1458a_100011215388_100011218427 [0,2,0,0,0,0|0,0,2]=4 12453 B12R0.4 CCCCCC#CC(=O)CC(F)F 1458a_100011215388_100011934356 [0,2,0,0,0,0|0,0,2]=4 12454 B12R0.4 CCCCCC#CC(=O)NC(C)C 240690a_100138425928_100011215388 [0,2,0,0,0,0|0,0,2]=4 12455 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,2,0,0,0,0|0,0,2]=4 12456 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,2,0,0,0,0|0,0,2]=4 12457 B12R0.4 CCCCCC=CC(=O)CC(F)F 1458a_100016263427_100011934356 [0,2,0,0,0,0|0,0,2]=4 12458 B12R0.4 CCCCCC=CC(=O)NC(C)C 11a_100138425928_100016263427 [0,2,0,0,0,0|0,0,2]=4 12459 B12R0.4 CCCCCC=CC(=O)NC(C)C 1626a_100138425928_100016263427 [0,2,0,0,0,0|0,0,2]=4 12460 B12R0.4 CCCCCC=CC(=O)NC(C)C 240690a_100138425928_100016263427 [0,2,0,0,0,0|0,0,2]=4 12461 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,2,0,0,0,0|0,0,1]=3 12462 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,2,0,0,0,0|0,0,1]=3 12463 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,2,0,0,0,0|0,0,1]=3 12464 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [0,2,0,0,0,0|0,0,2]=4 12465 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,2,0,0,0,0|0,0,1]=3 12466 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,2,0,0,0,0|0,0,1]=3 12467 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,2,0,0,0,0|0,0,1]=3 12468 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,2,0,0,0,0|0,0,0]=2 12469 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,2,0,0,0,0|0,0,0]=2 12470 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|0,0,0]=2 12471 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,2,0,0,0,0|0,0,0]=2 12472 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,2,0,0,0,0|0,0,0]=2 12473 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|0,0,0]=2 12474 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,2,0,0,0,0|1,0,0]=3 12475 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,2,0,0,0,0|0,0,0]=2 12476 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,2,0,0,0,0|0,0,0]=2 12477 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,2,0,0,0,0|0,0,0]=2 12478 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,2,0,0,0,0|0,0,0]=2 12479 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,2,0,0,0,0|0,0,0]=2 12480 B12R0.4 CCCCCCCC(C)NC(C)C 2230a_100138425928_200011218727 [0,2,0,0,0,0|1,0,1]=4 12481 B12R0.4 CCCCCCCC(C)NC(C)C 34a_100138425928_200011218727 [0,2,0,0,0,0|1,0,1]=4 12482 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,2,0,0,0,0|1,0,1]=4 12483 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,2,0,0,0,0|1,0,1]=4 12484 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,2,0,0,0,0|1,0,1]=4 12485 B12R0.4 CCCCCCCC(C)SC(C)C 62a_100000210206_200011218727 [0,2,0,0,0,0|1,0,1]=4 12486 B12R0.4 CCCCCCCC(C)SC(C)C 62a_200011218727_100000210206 [0,2,0,0,0,0|1,0,1]=4 12487 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,2,0,0,0,0|0,0,2]=4 12488 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,2,0,0,0,0|0,0,2]=4 12489 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000228206_100000210760 [0,2,0,0,0,0|2,0,0]=4 12490 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000747067_100000210681 [0,2,0,0,0,0|2,0,0]=4 12491 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000228206_100000210624 [0,2,0,0,0,0|2,0,0]=4 12492 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000747067_100000210681 [0,2,0,0,0,0|2,0,0]=4 12493 B12R0.4 CCCCCCCN(C)CC(C)C 270004a_100000228206_100000210432 [0,2,0,0,0,0|2,0,0]=4 12494 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,2,0,0,0,0|2,0,0]=4 12495 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,2,0,0,0,0|2,0,0]=4 12496 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,2,0,0,0,0|2,0,0]=4 12497 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,2,0,0,0,0|2,0,0]=4 12498 B12R0.4 CCCCCCCN(C)CC(F)F 2230a_100000228206_100011934356 [0,2,0,0,0,0|2,0,0]=4 12499 B12R0.4 CCCCCCCN(C)CC(F)F 269982a_100000228206_100011934356 [0,2,0,0,0,0|2,0,0]=4 12500 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,2,0,0,0,0|2,0,0]=4 12501 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,2,0,0,0,0|2,0,0]=4 12502 B12R0.4 CCCCCCNC(=O)C=C(C)C 11a_100000210581_100000211388 [0,2,0,0,0,0|1,0,1]=4 12503 B12R0.4 CCCCCCNC(=O)C=C(C)C 1626a_100000210581_100000211388 [0,2,0,0,0,0|1,0,1]=4 12504 B12R0.4 CCCCCCNC(=O)C=C(C)C 240690a_100000210581_100000211388 [0,2,0,0,0,0|1,0,1]=4 12505 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 11a_100000210581_200042562850 [0,2,0,0,0,0|1,0,1]=4 12506 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 1626a_100000210581_200042562850 [0,2,0,0,0,0|1,0,1]=4 12507 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 240690a_100000210581_200042562850 [0,2,0,0,0,0|1,0,1]=4 12508 B12R0.4 CCCCCCNC(=O)C=C(C)I 11a_100000210581_100025716642 [0,2,0,0,0,0|1,0,1]=4 12509 B12R0.4 CCCCCCNC(=O)C=C(C)I 1626a_100000210581_100025716642 [0,2,0,0,0,0|1,0,1]=4 12510 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,2,0,0,0,0|1,0,0]=3 12511 B12R0.4 CCCCCCNC(=O)CC(=O)N 240690a_100000210581_100134613110 [0,2,0,0,0,0|1,0,1]=4 12512 B12R0.4 CCCCCCNC(=O)CC(=O)N 527a_100000210581_100134613110 [0,2,0,0,0,0|1,0,1]=4 12513 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 12514 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 12515 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 12516 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 12517 B12R0.4 CCCCCCNC(=O)CN(C)C 11a_100000210581_100000750896 [0,2,0,0,0,0|1,0,0]=3 12518 B12R0.4 CCCCCCNC(=O)CN(C)C 2230a_100102631434_100000230325 [0,2,0,0,0,0|1,0,0]=3 12519 B12R0.4 CCCCCCNC(=O)CN(C)C 240690a_100000210581_100000750896 [0,2,0,0,0,0|1,0,0]=3 12520 B12R0.4 CCCCCCNC(=O)CN(C)C 269982a_100102631434_100000230325 [0,2,0,0,0,0|1,0,0]=3 12521 B12R0.4 CCCCCCNC(=O)CN(C)C 527a_100000210581_100000750896 [0,2,0,0,0,0|1,0,0]=3 12522 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,2,0,0,0,0|1,0,0]=3 12523 B12R0.4 CCCCCCNC(=O)C[S+](C)C 11a_100000210581_200159257847 [0,2,0,0,0,0|1,0,0]=3 12524 B12R0.4 CCCCCCNC(=O)C[S+](C)C 1626a_100000210581_200159257847 [0,2,0,0,0,0|1,0,0]=3 12525 B12R0.4 CCCCCCNC(=O)C[S+](C)C 240690a_100000210581_200159257847 [0,2,0,0,0,0|1,0,0]=3 12526 B12R0.4 CCCCCCNC(=O)C[S+](C)C 527a_100000210581_200159257847 [0,2,0,0,0,0|1,0,0]=3 12527 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,2,0,0,0,0|1,0,0]=3 12528 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,2,0,0,0,0|1,0,0]=3 12529 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,2,0,0,0,0|1,0,0]=3 12530 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,2,0,0,0,0|1,0,0]=3 12531 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,2,0,0,0,0|1,0,0]=3 12532 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [0,2,0,0,0,0|1,0,0]=3 12533 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [0,2,0,0,0,0|1,0,0]=3 12534 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [0,2,0,0,0,0|1,0,0]=3 12535 B12R0.4 CCCCCNNC(=O)CC(C)C 22a_100000694160_100000210554 [0,2,0,0,0,0|2,0,0]=4 12536 B12R0.4 CCCCCNNC(=O)CN(C)C 22a_100000694160_100000750896 [0,2,0,0,0,0|2,0,0]=4 12537 B12R0.4 CCCCCNNC(=O)C[C@@H](C)O 22a_100000694160_100011933948 [0,2,0,0,0,0|2,0,0]=4 12538 B12R0.4 CCCCCNNC(=O)C[S+](C)C 22a_100000694160_200159257847 [0,2,0,0,0,0|2,0,0]=4 12539 B12R0.4 CCCCCNNC(=O)NC(C)C 273464a_100138425928_100000694160 [0,2,0,0,0,0|2,0,0]=4 12540 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100000694160_100138425928 [0,2,0,0,0,0|2,0,0]=4 12541 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100138425928_100000694160 [0,2,0,0,0,0|2,0,0]=4 12542 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,2,0,0,0,0|1,0,1]=4 12543 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,2,0,0,0,0|1,0,0]=3 12544 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,2,0,0,0,0|1,0,0]=3 12545 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,2,0,0,0,0|1,0,0]=3 12546 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,2,0,0,0,0|1,0,0]=3 12547 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,2,0,0,0,0|1,0,1]=4 12548 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [0,2,0,0,0,0|1,0,0]=3 12549 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [0,2,0,0,0,0|1,0,0]=3 12550 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [0,2,0,0,0,0|1,0,0]=3 12551 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [0,2,0,0,0,0|1,0,0]=3 12552 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [0,2,0,0,0,0|1,0,0]=3 12553 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [0,2,0,0,0,0|1,0,0]=3 12554 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [0,2,0,0,0,0|1,0,0]=3 12555 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [0,2,0,0,0,0|1,0,0]=3 12556 B12R0.4 CCCCOCCC(=O)C=C(C)C 1458a_100000211388_100000743108 [0,2,0,0,0,0|1,0,1]=4 12557 B12R0.4 CCCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100000743108 [0,2,0,0,0,0|1,0,1]=4 12558 B12R0.4 CCCCOCCC(=O)C=C(C)I 1458a_100025716642_100000743108 [0,2,0,0,0,0|1,0,1]=4 12559 B12R0.4 CCCCOCCC(=O)CC(=O)N 1458a_100134613110_100000743108 [0,2,0,0,0,0|1,0,1]=4 12560 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [0,2,0,0,0,0|1,0,0]=3 12561 B12R0.4 CCCCOCCC(=O)CN(C)C 1458a_100000750896_100000743108 [0,2,0,0,0,0|1,0,0]=3 12562 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,2,0,0,0,0|1,0,0]=3 12563 B12R0.4 CCCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000743108 [0,2,0,0,0,0|1,0,0]=3 12564 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [0,2,0,0,0,0|1,0,0]=3 12565 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [0,2,0,0,0,0|1,0,0]=3 12566 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [0,2,0,0,0,0|1,0,0]=3 12567 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [0,2,0,0,0,0|1,0,0]=3 12568 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [0,2,0,0,0,0|1,0,0]=3 12569 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [0,2,0,0,0,0|1,0,0]=3 12570 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [0,2,0,0,0,0|2,0,0]=4 12571 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [0,2,0,0,0,0|2,0,0]=4 12572 B12R0.4 CCCOCCNC(=O)CC(C)C 1626a_100161115042_100000210554 [0,2,0,0,0,0|2,0,0]=4 12573 B12R0.4 CCCOCCNC(=O)CC(C)C 240690a_100161115042_100000210554 [0,2,0,0,0,0|2,0,0]=4 12574 B12R0.4 CCCOCCNC(=O)CC(C)C 527a_100161115042_100000210554 [0,2,0,0,0,0|2,0,0]=4 12575 B12R0.4 CCCOCCNC(=O)CN(C)C 240690a_100161115042_100000750896 [0,2,0,0,0,0|2,0,0]=4 12576 B12R0.4 CCCOCCNC(=O)CN(C)C 527a_100161115042_100000750896 [0,2,0,0,0,0|2,0,0]=4 12577 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 240690a_100161115042_100011933948 [0,2,0,0,0,0|2,0,0]=4 12578 B12R0.4 CCCOCCNC(=O)C[S+](C)C 1626a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 12579 B12R0.4 CCCOCCNC(=O)C[S+](C)C 240690a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 12580 B12R0.4 CCCOCCNC(=O)C[S+](C)C 527a_100161115042_200159257847 [0,2,0,0,0,0|2,0,0]=4 12581 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 12582 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100161115042_100138425928 [0,2,0,0,0,0|2,0,0]=4 12583 B12R0.4 CCCOCCNC(=O)NC(C)C 273464a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 12584 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 12585 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100161115042_100138425928 [0,2,0,0,0,0|2,0,0]=4 12586 B12R0.4 CCCOCCOC(=O)CC(=O)C 34a_100000210258_100000102702 [0,2,0,0,0,0|2,0,0]=4 12587 B12R0.4 CCCSCCNC(=O)CC(C)C 11a_100020603323_100000210554 [0,2,0,0,0,0|2,0,0]=4 12588 B12R0.4 CCCSCCNC(=O)CC(C)C 240690a_100020603323_100000210554 [0,2,0,0,0,0|2,0,0]=4 12589 B12R0.4 CCCSCCNC(=O)CC(C)C 527a_100020603323_100000210554 [0,2,0,0,0,0|2,0,0]=4 12590 B12R0.4 CCCSCCNC(=O)CN(C)C 11a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 12591 B12R0.4 CCCSCCNC(=O)CN(C)C 240690a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 12592 B12R0.4 CCCSCCNC(=O)CN(C)C 527a_100020603323_100000750896 [0,2,0,0,0,0|2,0,0]=4 12593 B12R0.4 CCCSCCNC(=O)C[C@@H](C)O 240690a_100020603323_100011933948 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.4 CCCSCCNC(=O)C[S+](C)C 11a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.4 CCCSCCNC(=O)C[S+](C)C 240690a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.4 CCCSCCNC(=O)C[S+](C)C 527a_100020603323_200159257847 [0,2,0,0,0,0|2,0,0]=4 12597 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100020603323_100138425928 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.4 CCCSCCNC(=O)NC(C)C 273464a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100020603323_100138425928 [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000102702_100000210303 [0,2,0,0,0,0|2,0,0]=4 12603 B12R0.4 CCCSCCOC(=O)CC(=O)C 62a_100000210303_100000102702 [0,2,0,0,0,0|2,0,0]=4 12604 B12R0.4 CCOCCCNC(=O)CC(C)C 11a_100000210961_100000210554 [0,2,0,0,0,0|2,0,0]=4 12605 B12R0.4 CCOCCCNC(=O)CC(C)C 1626a_100000210961_100000210554 [0,2,0,0,0,0|2,0,0]=4 12606 B12R0.4 CCOCCCNC(=O)CC(C)C 240690a_100000210961_100000210554 [0,2,0,0,0,0|2,0,0]=4 12607 B12R0.4 CCOCCCNC(=O)CC(C)C 527a_100000210961_100000210554 [0,2,0,0,0,0|2,0,0]=4 12608 B12R0.4 CCOCCCNC(=O)CN(C)C 11a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 12609 B12R0.4 CCOCCCNC(=O)CN(C)C 240690a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 12610 B12R0.4 CCOCCCNC(=O)CN(C)C 527a_100000210961_100000750896 [0,2,0,0,0,0|2,0,0]=4 12611 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O 240690a_100000210961_100011933948 [0,2,0,0,0,0|2,0,0]=4 12612 B12R0.4 CCOCCCNC(=O)C[S+](C)C 11a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.4 CCOCCCNC(=O)C[S+](C)C 1626a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 12614 B12R0.4 CCOCCCNC(=O)C[S+](C)C 240690a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 12615 B12R0.4 CCOCCCNC(=O)C[S+](C)C 527a_100000210961_200159257847 [0,2,0,0,0,0|2,0,0]=4 12616 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100000210961_100138425928 [0,2,0,0,0,0|2,0,0]=4 12617 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 12618 B12R0.4 CCOCCCNC(=O)NC(C)C 273464a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 12619 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100000210961_100138425928 [0,2,0,0,0,0|2,0,0]=4 12620 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 12621 B12R0.4 CCOCCNCC(=O)NC(C)C 2230a_100000168517_100011215890 [0,2,0,0,0,0|2,0,0]=4 12622 B12R0.4 CCOCCNCC(=O)NC(C)C 2230a_102516460346_100000183996 [0,2,0,0,0,0|2,0,0]=4 12623 B12R0.4 CCOCCNCC(=O)NC(C)C 34a_102516460346_100000183996 [0,2,0,0,0,0|2,0,0]=4 12624 B12R0.4 CCOCCNCC(=O)OC(C)C 2230a_102516460346_100011215430 [0,2,0,0,0,0|2,0,0]=4 12625 B12R0.4 CCOCCNCC(=O)OC(C)C 34a_102516460346_100011215430 [0,2,0,0,0,0|2,0,0]=4 12626 B12R0.4 CCOCCOCC(=O)NC(C)C 34a_100000210136_100000183996 [0,2,0,0,0,0|2,0,0]=4 12627 B12R0.4 CCOCCOCC(=O)NC(C)C 7a_100000210136_100000183996 [0,2,0,0,0,0|2,0,0]=4 12628 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [0,2,0,0,0,0|2,0,0]=4 12629 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [0,2,0,0,0,0|2,0,0]=4 12630 B12R0.4 CCOCCSCC(=O)NC(C)C 62a_100000183996_100011215890 [0,2,0,0,0,0|2,0,0]=4 12631 B12R0.4 CCOCCSCC(=O)NC(C)C 62a_100000210147_100000183996 [0,2,0,0,0,0|2,0,0]=4 12632 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100000210147_100011215430 [0,2,0,0,0,0|2,0,0]=4 12633 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100011215430_100011215890 [0,2,0,0,0,0|2,0,0]=4 12634 B12R0.4 CCOCSCCC(=O)NC(C)C 62a_100000737564_100000739092 [0,2,0,0,0,0|2,0,0]=4 12635 B12R0.4 CCOCSCCC(=O)NC(C)C 62a_100000739092_100000737564 [0,2,0,0,0,0|2,0,0]=4 12636 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000739092_100000760027 [0,2,0,0,0,0|2,0,0]=4 12637 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000760027_100000739092 [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.4 CCSCCNCC(=O)NC(C)C 2230a_100000106463_100000183996 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.4 CCSCCNCC(=O)NC(C)C 2230a_100000168517_100000757381 [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.4 CCSCCNCC(=O)OC(C)C 2230a_100000106463_100011215430 [0,2,0,0,0,0|2,0,0]=4 12641 B12R0.4 CCSCCOCC(=O)NC(C)C 34a_100000212035_100000183996 [0,2,0,0,0,0|2,0,0]=4 12642 B12R0.4 CCSCCOCC(=O)NC(C)C 7a_100000212035_100000183996 [0,2,0,0,0,0|2,0,0]=4 12643 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [0,2,0,0,0,0|2,0,0]=4 12644 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [0,2,0,0,0,0|2,0,0]=4 12645 B12R0.4 CCSCCSCC(=O)NC(C)C 62a_100000183996_100000757381 [0,2,0,0,0,0|2,0,0]=4 12646 B12R0.4 CCSCCSCC(=O)NC(C)C 62a_100000757381_100000183996 [0,2,0,0,0,0|2,0,0]=4 12647 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100000757381_100011215430 [0,2,0,0,0,0|2,0,0]=4 12648 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100011215430_100000757381 [0,2,0,0,0,0|2,0,0]=4 12649 B12R0.4 CN(C)CC(=O)CCCCCC#N 1458a_100000750896_100009813376 [0,2,0,0,0,0|1,0,1]=4 12650 B12R0.4 CN(C)CC(=O)CCCCCCF 1458a_100000750896_100015922095 [0,2,0,0,0,0|1,0,0]=3 12651 B12R0.4 CN(C)CC(=O)CCCCCCO 1458a_100000750896_100000766143 [0,2,0,0,0,0|1,0,0]=3 12652 B12R0.4 CN(C)CC(=O)NCCCCCO 240690a_100000762737_100000750896 [0,2,0,0,0,0|2,0,0]=4 12653 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [0,2,0,0,0,0|1,0,0]=3 12654 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [0,2,0,0,0,0|1,0,0]=3 12655 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [0,2,0,0,0,0|1,0,0]=3 12656 B12R0.4 CNCCCOCC(=O)NC(C)C 34a_100000213112_100000183996 [0,2,0,0,0,0|2,0,0]=4 12657 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 12658 B12R0.4 COCCCCCC(=O)CC(=O)N 1458a_100011935119_100000187820 [0,2,0,0,0,0|1,0,1]=4 12659 B12R0.4 COCCCCCC(=O)CC(=O)[O-] 1458a_100011935119_100020667443 [0,2,0,0,0,0|1,0,1]=4 12660 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [0,2,0,0,0,0|1,0,0]=3 12661 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,2,0,0,0,0|1,0,0]=3 12662 B12R0.4 COCCCCCC(=O)CC(F)F 1458a_100011935119_100011934356 [0,2,0,0,0,0|1,0,0]=3 12663 B12R0.4 COCCCCCC(=O)C[N+](=O)[O-] 1458a_100011935119_100000761209 [0,2,0,0,0,0|2,0,0]=4 12664 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [0,2,0,0,0,0|1,0,0]=3 12665 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [0,2,0,0,0,0|1,0,0]=3 12666 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [0,2,0,0,0,0|1,0,0]=3 12667 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [0,2,0,0,0,0|1,0,0]=3 12668 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [0,2,0,0,0,0|1,0,0]=3 12669 B12R0.4 COCCCNCC(=O)NC(C)C 2230a_100000168517_100000740836 [0,2,0,0,0,0|2,0,0]=4 12670 B12R0.4 COCCCNCC(=O)NC(C)C 34a_100150723488_100000183996 [0,2,0,0,0,0|2,0,0]=4 12671 B12R0.4 COCCCNCC(=O)OC(C)C 34a_100150723488_100011215430 [0,2,0,0,0,0|2,0,0]=4 12672 B12R0.4 COCCCOCC(=O)NC(C)C 34a_100000740835_100000183996 [0,2,0,0,0,0|2,0,0]=4 12673 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [0,2,0,0,0,0|2,0,0]=4 12674 B12R0.4 COCCCSCC(=O)NC(C)C 62a_100000183996_100000709357 [0,2,0,0,0,0|2,0,0]=4 12675 B12R0.4 COCCCSCC(=O)NC(C)C 62a_100000709357_100000183996 [0,2,0,0,0,0|2,0,0]=4 12676 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100000709357_100011215430 [0,2,0,0,0,0|2,0,0]=4 12677 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100011215430_100000709357 [0,2,0,0,0,0|2,0,0]=4 12678 B12R0.4 COCCNCCC(=O)NC(C)C 2230a_100000209980_100000737564 [0,2,0,0,0,0|2,0,0]=4 12679 B12R0.4 COCCNCCC(=O)OC(C)C 2230a_100000209980_100000760027 [0,2,0,0,0,0|2,0,0]=4 12680 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000210554_100000695917 [0,2,0,0,0,0|2,0,0]=4 12681 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000745395_100000210624 [0,2,0,0,0,0|2,0,0]=4 12682 B12R0.4 COCCOCCC(=O)CC(C)O 1458a_100000745395_100011218427 [0,2,0,0,0,0|2,0,0]=4 12683 B12R0.4 COCCOCCC(=O)CC(F)F 1458a_100000745395_100011934356 [0,2,0,0,0,0|2,0,0]=4 12684 B12R0.4 COCCOCCC(=O)CN(C)C 1458a_100000750896_100000695917 [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.4 COCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000695917 [0,2,0,0,0,0|2,0,0]=4 12686 B12R0.4 COCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000695917 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.4 COCCOCCC(=O)NC(C)C 11a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.4 COCCOCCC(=O)NC(C)C 1626a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.4 COCCOCCC(=O)NC(C)C 240690a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.4 COCCOCCC(=O)NC(C)C 527a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.4 COCCSCCC(=O)NC(C)C 62a_100000233755_100000737564 [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.4 COCCSCCC(=O)NC(C)C 62a_100000737564_100000233755 [0,2,0,0,0,0|2,0,0]=4 12693 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000233755_100000760027 [0,2,0,0,0,0|2,0,0]=4 12694 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000760027_100000233755 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [0,2,0,0,0,0|1,0,0]=3 12696 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [0,2,0,0,0,0|1,0,0]=3 12697 B12R0.4 CSCCCNCC(=O)NC(C)C 2230a_100000749238_100000183996 [0,2,0,0,0,0|2,0,0]=4 12698 B12R0.4 CSCCCNCC(=O)OC(C)C 2230a_100000749238_100011215430 [0,2,0,0,0,0|2,0,0]=4 12699 B12R0.4 CSCCCOCC(=O)NC(C)C 34a_100000690336_100000183996 [0,2,0,0,0,0|2,0,0]=4 12700 B12R0.4 CSCCCOCC(=O)NC(C)C 7a_100000690336_100000183996 [0,2,0,0,0,0|2,0,0]=4 12701 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [0,2,0,0,0,0|2,0,0]=4 12702 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [0,2,0,0,0,0|2,0,0]=4 12703 B12R0.4 CSCCNCCC(=O)NC(C)C 2230a_100020590264_100000737564 [0,2,0,0,0,0|2,0,0]=4 12704 B12R0.4 CSCCNCCC(=O)OC(C)C 2230a_100020590264_100000760027 [0,2,0,0,0,0|2,0,0]=4 12705 B12R0.4 CSCCOCCC(=O)NC(C)C 7a_100000230434_100000737564 [0,2,0,0,0,0|2,0,0]=4 12706 B12R0.4 CSCCOCCC(=O)OC(C)C 7a_100000230434_100000760027 [0,2,0,0,0,0|2,0,0]=4 12707 B12R0.4 CSCCSCCC(=O)NC(C)C 62a_100000212216_100000737564 [0,2,0,0,0,0|2,0,0]=4 12708 B12R0.4 CSCCSCCC(=O)NC(C)C 62a_100000737564_100000751147 [0,2,0,0,0,0|2,0,0]=4 12709 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000212216_100000760027 [0,2,0,0,0,0|2,0,0]=4 12710 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000760027_100000751147 [0,2,0,0,0,0|2,0,0]=4 12711 B12R0.4 C[C@@H](O)CC(=O)CCCCCC#N 1458a_100011933948_100009813376 [0,2,0,0,0,0|1,0,1]=4 12712 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,2,0,0,0,0|1,0,0]=3 12713 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,2,0,0,0,0|1,0,0]=3 12714 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 240690a_100000762737_100011933948 [0,2,0,0,0,0|2,0,0]=4 12715 B12R0.4 C[S+](C)CC(=O)CCCCCC#N 1458a_200159257847_100009813376 [0,2,0,0,0,0|1,0,1]=4 12716 B12R0.4 C[S+](C)CC(=O)CCCCCCF 1458a_200159257847_100015922095 [0,2,0,0,0,0|1,0,0]=3 12717 B12R0.4 C[S+](C)CC(=O)CCCCCCO 1458a_200159257847_100000766143 [0,2,0,0,0,0|1,0,0]=3 12718 B12R0.4 C[S+](C)CC(=O)NCCCCCO 240690a_100000762737_200159257847 [0,2,0,0,0,0|2,0,0]=4 12719 B12R0.4 NC(=O)CC(=O)CCCCCCF 1458a_100134613110_100015922095 [0,2,0,0,0,0|1,0,1]=4 12720 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000187820 [0,2,0,0,0,0|1,0,1]=4 12721 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100134613110_100000766143 [0,2,0,0,0,0|1,0,1]=4 12722 B12R0.4 O=C(CCCCCCO)CC(F)F 1458a_100011996774_100011934356 [0,2,0,0,0,0|1,0,0]=3 12723 B12R0.4 O=C(CCCCCCO)C[N+](=O)[O-] 1458a_100011996774_100000761209 [0,2,0,0,0,0|2,0,0]=4 12724 B12R0.4 O=C([O-])CC(=O)CCCCCCO 1458a_100011996774_100020667443 [0,2,0,0,0,0|1,0,1]=4 12725 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,2,0,0,0,0|0,0,2]=4 12726 B12R0.49 C#CC(C)C(=O)C#CCCCCC 1458a_100011215388_200000035995 [0,2,0,0,0,0|0,0,2]=4 12727 B12R0.49 C#CC(C)C(=O)C/C=C/CCCC 1458a_200016282684_200000035995 [0,2,0,0,0,0|0,0,2]=4 12728 B12R0.49 C#CC(C)C(=O)C=CCCCCC 1458a_100016263427_200000035995 [0,2,0,0,0,0|0,0,2]=4 12729 B12R0.49 C#CC(C)C(=O)CCCCCC=C 1458a_100011934241_200000035995 [0,2,0,0,0,0|0,0,2]=4 12730 B12R0.49 C#CC(C)C(=O)CCCCCCC 1458a_100000211969_200000035995 [0,2,0,0,0,0|0,0,0]=2 12731 B12R0.49 C#CC(C)C(=O)CCCCCCO 1458a_100011996774_200000035995 [0,2,0,0,0,0|1,0,0]=3 12732 B12R0.49 C#CC(C)C(=O)CCCCCOC 1458a_100011935119_200000035995 [0,2,0,0,0,0|1,0,0]=3 12733 B12R0.49 C#CC(C)C(=O)CCOCCOC 1458a_100000745395_200000035995 [0,2,0,0,0,0|2,0,0]=4 12734 B12R0.49 C#CCCCCCC(=O)C(C)C#C 1458a_100000694772_200000035995 [0,2,0,0,0,0|0,0,2]=4 12735 B12R0.49 C#CCCCCCC(=O)C(C)C#N 1458a_100000694772_100000703298 [0,2,0,0,0,0|0,0,2]=4 12736 B12R0.49 C#CCCCCCC(=O)C(C)C#N 1458a_100000753662_100012094781 [0,2,0,0,0,0|0,0,2]=4 12737 B12R0.49 C#CCCCCCC(=O)C(C)C=C 1458a_100011216780_100012094781 [0,2,0,0,0,0|0,0,2]=4 12738 B12R0.49 C#CCCCCCC(=O)C(C)CC 1458a_100000694772_100000758301 [0,2,0,0,0,0|0,0,2]=4 12739 B12R0.49 C#CCCCCCC(=O)C(C)CC 1458a_100011192722_100012094781 [0,2,0,0,0,0|0,0,2]=4 12740 B12R0.49 C#CCCCCCC(=O)C(C)OC 1458a_100000743197_100012094781 [0,2,0,0,0,0|0,0,2]=4 12741 B12R0.49 C#CCCCCCC(=O)C(C)SC 1458a_100000149566_100012094781 [0,2,0,0,0,0|0,0,2]=4 12742 B12R0.49 C#CCCCCCC(=O)C(O)CC 1458a_100011196387_100012094781 [0,2,0,0,0,0|0,0,2]=4 12743 B12R0.49 C#CCCCCCC(=O)C(O)CO 1458a_100011215603_100012094781 [0,2,0,0,0,0|0,0,2]=4 12744 B12R0.49 C#CCCCCCC(=O)N(C)CC 11a_100000225621_100000694772 [0,2,0,0,0,0|0,0,2]=4 12745 B12R0.49 C#CCCCCCC(=O)N(C)CC 1626a_100000225621_100000694772 [0,2,0,0,0,0|0,0,2]=4 12746 B12R0.49 C#CCCCCCC(=O)N(C)CC 240690a_100000225621_100000694772 [0,2,0,0,0,0|0,0,2]=4 12747 B12R0.49 C#CCCCCCC(=O)N(C)CC 527a_100000225621_100000694772 [0,2,0,0,0,0|0,0,2]=4 12748 B12R0.49 C#CCCCCNC(C)C(=O)CC 2230a_100000706060_100000742827 [0,2,0,0,0,0|0,0,2]=4 12749 B12R0.49 C#CCCCCOC(C)C(=O)CC 7a_100000766709_100000742827 [0,2,0,0,0,0|0,0,2]=4 12750 B12R0.49 C#CCCCCSC(C)C(=O)CC 62a_100000742827_100010269958 [0,2,0,0,0,0|0,0,2]=4 12751 B12R0.49 C#CCCCCSC(C)C(=O)CC 62a_100010269958_100000742827 [0,2,0,0,0,0|0,0,2]=4 12752 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,2,0,0,0,0|0,0,1]=3 12753 B12R0.49 C/C=C(\C)/C(=O)CCCCCCF 1458a_100020587367_100015922095 [0,2,0,0,0,0|1,0,1]=4 12754 B12R0.49 C/C=C(\C)/C(=O)CCCCCCO 1458a_100020587367_100000766143 [0,2,0,0,0,0|1,0,1]=4 12755 B12R0.49 C/C=C(\C)/C(=O)CCOCCCC 1458a_100020587367_100000743108 [0,2,0,0,0,0|1,0,1]=4 12756 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 11a_100000210581_100020587367 [0,2,0,0,0,0|1,0,1]=4 12757 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 1626a_100000210581_100020587367 [0,2,0,0,0,0|1,0,1]=4 12758 B12R0.49 C/C=C(\C)/C(C)NCCCCCC 269862a_100000210581_100020675665 [0,2,0,0,0,0|1,0,1]=4 12759 B12R0.49 C=C(COCCCCC)C(=O)OC 34a_100000210253_100009813391 [0,2,0,0,0,0|1,0,1]=4 12760 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100000210326_100009813391 [0,2,0,0,0,0|1,0,1]=4 12761 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100009813391_100000210326 [0,2,0,0,0,0|1,0,1]=4 12762 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,2,0,0,0,0|0,0,2]=4 12763 B12R0.49 C=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000185746 [0,2,0,0,0,0|0,0,2]=4 12764 B12R0.49 C=CC(=O)N(C)CCCCCCC 240690a_100000228206_200121576911 [0,2,0,0,0,0|0,0,2]=4 12765 B12R0.49 C=CC(C)C(=O)CCCCCC#N 1458a_100011216780_100009813376 [0,2,0,0,0,0|1,0,1]=4 12766 B12R0.49 C=CC(C)C(=O)CCCCCCC 1458a_100011216780_100000210614 [0,2,0,0,0,0|0,0,0]=2 12767 B12R0.49 C=CC(C)C(=O)CCCCCCF 1458a_100011216780_100015922095 [0,2,0,0,0,0|1,0,0]=3 12768 B12R0.49 C=CC(C)C(=O)CCCCCCO 1458a_100011216780_100000766143 [0,2,0,0,0,0|1,0,0]=3 12769 B12R0.49 C=CC(C)C(=O)CCOCCCC 1458a_100011216780_100000743108 [0,2,0,0,0,0|1,0,0]=3 12770 B12R0.49 C=CC(C)C(=O)CCOCCOC 1458a_100011216780_100000695917 [0,2,0,0,0,0|2,0,0]=4 12771 B12R0.49 C=CC(C)C(=O)NCCCCCC 11a_100000210581_100011216780 [0,2,0,0,0,0|1,0,0]=3 12772 B12R0.49 C=CC(C)C(=O)NCCCCCC 1626a_100000210581_100011216780 [0,2,0,0,0,0|1,0,0]=3 12773 B12R0.49 C=CC(C)C(=O)NCCCCCC 240690a_100000210581_100011216780 [0,2,0,0,0,0|1,0,0]=3 12774 B12R0.49 C=CC(C)C(=O)NCCCCCC 527a_100000210581_100011216780 [0,2,0,0,0,0|1,0,0]=3 12775 B12R0.49 C=CC(C)C(=O)NCCCCCO 240690a_100000762737_100011216780 [0,2,0,0,0,0|2,0,0]=4 12776 B12R0.49 C=CC(C)C(=O)NCCCOCC 11a_100000210961_100011216780 [0,2,0,0,0,0|2,0,0]=4 12777 B12R0.49 C=CC(C)C(=O)NCCCOCC 1626a_100000210961_100011216780 [0,2,0,0,0,0|2,0,0]=4 12778 B12R0.49 C=CC(C)C(=O)NCCCOCC 240690a_100000210961_100011216780 [0,2,0,0,0,0|2,0,0]=4 12779 B12R0.49 C=CC(C)C(=O)NCCCOCC 527a_100000210961_100011216780 [0,2,0,0,0,0|2,0,0]=4 12780 B12R0.49 C=CC(C)C(=O)NCCOCCC 1626a_100161115042_100011216780 [0,2,0,0,0,0|2,0,0]=4 12781 B12R0.49 C=CC(C)C(=O)NCCOCCC 240690a_100161115042_100011216780 [0,2,0,0,0,0|2,0,0]=4 12782 B12R0.49 C=CC(C)C(=O)NCCOCCC 527a_100161115042_100011216780 [0,2,0,0,0,0|2,0,0]=4 12783 B12R0.49 C=CC(C)C(=O)NCCSCCC 11a_100020603323_100011216780 [0,2,0,0,0,0|2,0,0]=4 12784 B12R0.49 C=CC(C)C(=O)NCCSCCC 240690a_100020603323_100011216780 [0,2,0,0,0,0|2,0,0]=4 12785 B12R0.49 C=CC(C)C(=O)NCCSCCC 527a_100020603323_100011216780 [0,2,0,0,0,0|2,0,0]=4 12786 B12R0.49 C=CC(C)C(=O)NNCCCCC 22a_100000694160_100011216780 [0,2,0,0,0,0|2,0,0]=4 12787 B12R0.49 C=CC(C)N(C)CCCCCCC 269982a_100000228206_100011215867 [0,2,0,0,0,0|2,0,0]=4 12788 B12R0.49 C=CCCCCCC(=O)C(C)C#N 1458a_100000753662_100000700193 [0,2,0,0,0,0|0,0,2]=4 12789 B12R0.49 C=CCCCCCC(=O)C(C)C#N 1458a_100011934241_100000703298 [0,2,0,0,0,0|0,0,2]=4 12790 B12R0.49 C=CCCCCCC(=O)C(C)C=C 1458a_100011216780_100000700193 [0,2,0,0,0,0|0,0,2]=4 12791 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011192722_100000700193 [0,2,0,0,0,0|0,0,2]=4 12792 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011934241_100000758301 [0,2,0,0,0,0|0,0,2]=4 12793 B12R0.49 C=CCCCCCC(=O)C(C)OC 1458a_100000743197_100000700193 [0,2,0,0,0,0|0,0,2]=4 12794 B12R0.49 C=CCCCCCC(=O)C(C)SC 1458a_100000149566_100000700193 [0,2,0,0,0,0|0,0,2]=4 12795 B12R0.49 C=CCCCCCC(=O)C(O)CC 1458a_100011196387_100000700193 [0,2,0,0,0,0|0,0,2]=4 12796 B12R0.49 C=CCCCCCC(=O)C(O)CO 1458a_100011215603_100000700193 [0,2,0,0,0,0|0,0,2]=4 12797 B12R0.49 C=CCCCCCC(=O)N(C)CC 11a_100000225621_100011934241 [0,2,0,0,0,0|0,0,2]=4 12798 B12R0.49 C=CCCCCCC(=O)N(C)CC 1626a_100000225621_100011934241 [0,2,0,0,0,0|0,0,2]=4 12799 B12R0.49 C=CCCCCCC(=O)N(C)CC 240690a_100000225621_100011934241 [0,2,0,0,0,0|0,0,2]=4 12800 B12R0.49 C=CCCCCCC(=O)N(C)CC 527a_100000225621_100011934241 [0,2,0,0,0,0|0,0,2]=4 12801 B12R0.49 C=CCCCCNC(C)C(=O)CC 2230a_100000703577_100000742827 [0,2,0,0,0,0|0,0,2]=4 12802 B12R0.49 C=CCCCCOC(C)C(=O)CC 7a_100000766645_100000742827 [0,2,0,0,0,0|0,0,2]=4 12803 B12R0.49 C=CCCCCO[C@H](C)C(=O)CC 1458a_200020631580_100000210202 [0,2,0,0,0,0|0,0,2]=4 12804 B12R0.49 C=CCCCCSC(C)C(=O)CC 62a_100000742827_100011215482 [0,2,0,0,0,0|0,0,2]=4 12805 B12R0.49 C=CCCCCSC(C)C(=O)CC 62a_100011215482_100000742827 [0,2,0,0,0,0|0,0,2]=4 12806 B12R0.49 CC(C#N)C(=O)CCCCCC#N 1458a_100000753662_100009813376 [0,2,0,0,0,0|1,0,1]=4 12807 B12R0.49 CC(C#N)C(=O)CCCCCCF 1458a_100000753662_100015922095 [0,2,0,0,0,0|1,0,0]=3 12808 B12R0.49 CC(C#N)C(=O)CCCCCCO 1458a_100000753662_100000766143 [0,2,0,0,0,0|1,0,0]=3 12809 B12R0.49 CC(C#N)C(=O)CCCCCCO 1458a_100011996774_100000703298 [0,2,0,0,0,0|1,0,0]=3 12810 B12R0.49 CC(C#N)C(=O)NCCCCCO 240690a_100000762737_100000753662 [0,2,0,0,0,0|2,0,0]=4 12811 B12R0.49 CC/C=C\CCOC(C)C(=O)CC 7a_100016288707_100000742827 [0,2,0,0,0,0|0,0,2]=4 12812 B12R0.49 CC/C=C\CCSC(C)C(=O)CC 62a_100000742827_100015370543 [0,2,0,0,0,0|0,0,2]=4 12813 B12R0.49 CC/C=C\CCSC(C)C(=O)CC 62a_100015370543_100000742827 [0,2,0,0,0,0|0,0,2]=4 12814 B12R0.49 CCC#CCCOC(C)C(=O)CC 7a_100000036655_100000742827 [0,2,0,0,0,0|0,0,2]=4 12815 B12R0.49 CCC(=O)C(C)NCCCCCO 2230a_100000762737_100000742827 [0,2,0,0,0,0|1,0,0]=3 12816 B12R0.49 CCC(=O)C(C)NCCOCCO 2230a_100000211614_100000742827 [0,2,0,0,0,0|2,0,0]=4 12817 B12R0.49 CCC(=O)C(C)NCCSCCO 2230a_100011219999_100000742827 [0,2,0,0,0,0|2,0,0]=4 12818 B12R0.49 CCC(=O)C(C)OCCCCCBr 7a_100000746331_100000742827 [0,2,0,0,0,0|1,0,0]=3 12819 B12R0.49 CCC(=O)C(C)OCCCCCCl 7a_100000746330_100000742827 [0,2,0,0,0,0|1,0,0]=3 12820 B12R0.49 CCC(=O)C(C)OCCCCCI 7a_200012148887_100000742827 [0,2,0,0,0,0|1,0,0]=3 12821 B12R0.49 CCC(=O)C(C)OCCCCSC 7a_100011217163_100000742827 [0,2,0,0,0,0|1,0,0]=3 12822 B12R0.49 CCC(=O)C(C)OCCOCCBr 7a_100000692535_100000742827 [0,2,0,0,0,0|2,0,0]=4 12823 B12R0.49 CCC(=O)C(C)OCCOCCCl 7a_100011215305_100000742827 [0,2,0,0,0,0|2,0,0]=4 12824 B12R0.49 CCC(=O)C(C)OCCOCCF 7a_200015357709_100000742827 [0,2,0,0,0,0|2,0,0]=4 12825 B12R0.49 CCC(=O)C(C)OCCOCCI 7a_100012149058_100000742827 [0,2,0,0,0,0|2,0,0]=4 12826 B12R0.49 CCC(=O)C(C)SCCCCC#N 62a_100000742827_100000211819 [0,2,0,0,0,0|1,0,1]=4 12827 B12R0.49 CCC(=O)C(C)SCCCCC#N 62a_100011219923_100000742827 [0,2,0,0,0,0|1,0,1]=4 12828 B12R0.49 CCC(=O)C(C)SCCCCC=O 62a_100000139335_100000742827 [0,2,0,0,0,0|1,0,1]=4 12829 B12R0.49 CCC(=O)C(C)SCCCCC=O 62a_100000742827_100000139335 [0,2,0,0,0,0|1,0,1]=4 12830 B12R0.49 CCC(=O)C(C)SCCCCCF 62a_100000729378_100000742827 [0,2,0,0,0,0|1,0,0]=3 12831 B12R0.49 CCC(=O)C(C)SCCCCCF 62a_100000742827_100000729378 [0,2,0,0,0,0|1,0,0]=3 12832 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000742827_100000746330 [0,2,0,0,0,0|1,0,0]=3 12833 B12R0.49 CCC(=O)C(C)SCCCCCO 62a_100000746330_100000742827 [0,2,0,0,0,0|1,0,0]=3 12834 B12R0.49 CCC(=O)C(C)SCCCCOC 62a_100000730899_100000742827 [0,2,0,0,0,0|1,0,0]=3 12835 B12R0.49 CCC(=O)C(C)SCCCCOC 62a_100000742827_100000730899 [0,2,0,0,0,0|1,0,0]=3 12836 B12R0.49 CCC(=O)C(C)SCCOCCO 62a_100000742827_100011215305 [0,2,0,0,0,0|2,0,0]=4 12837 B12R0.49 CCC(=O)C(C)SCCOCCO 62a_100011215305_100000742827 [0,2,0,0,0,0|2,0,0]=4 12838 B12R0.49 CCC(=O)C(C)SCOCCOC 62a_100000231047_100000742827 [0,2,0,0,0,0|2,0,0]=4 12839 B12R0.49 CCC(=O)C(C)SCOCCOC 62a_100000742827_100000231047 [0,2,0,0,0,0|2,0,0]=4 12840 B12R0.49 CCC(C)C(=O)CCCCCC#N 1458a_100011192722_100009813376 [0,2,0,0,0,0|1,0,1]=4 12841 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [0,2,0,0,0,0|1,0,0]=3 12842 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [0,2,0,0,0,0|1,0,0]=3 12843 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [0,2,0,0,0,0|1,0,0]=3 12844 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [0,2,0,0,0,0|1,0,0]=3 12845 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100000745395_100000758301 [0,2,0,0,0,0|2,0,0]=4 12846 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100011192722_100000695917 [0,2,0,0,0,0|2,0,0]=4 12847 B12R0.49 CCC(C)C(=O)NCCCCCO 240690a_100000762737_100011192722 [0,2,0,0,0,0|2,0,0]=4 12848 B12R0.49 CCC(O)C(=O)CCCCCC#N 1458a_100011196387_100009813376 [0,2,0,0,0,0|1,0,1]=4 12849 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,2,0,0,0,0|1,0,0]=3 12850 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,2,0,0,0,0|1,0,0]=3 12851 B12R0.49 CCC(O)C(=O)CCOCCOC 1458a_100011196387_100000695917 [0,2,0,0,0,0|2,0,0]=4 12852 B12R0.49 CCC(O)C(=O)NCCCCCO 240690a_100000762737_100011196387 [0,2,0,0,0,0|2,0,0]=4 12853 B12R0.49 CCC/C=C/COC(C)C(=O)CC 7a_100016278788_100000742827 [0,2,0,0,0,0|0,0,2]=4 12854 B12R0.49 CCCC#CCOC(C)C(=O)CC 7a_100000034806_100000742827 [0,2,0,0,0,0|0,0,2]=4 12855 B12R0.49 CCCC/C=C/CC(=O)C(C)C#N 1458a_200016282684_100000703298 [0,2,0,0,0,0|0,0,2]=4 12856 B12R0.49 CCCC/C=C/CC(=O)C(C)CC 1458a_200016282684_100000758301 [0,2,0,0,0,0|0,0,2]=4 12857 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016282684 [0,2,0,0,0,0|0,0,2]=4 12858 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016282684 [0,2,0,0,0,0|0,0,2]=4 12859 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016282684 [0,2,0,0,0,0|0,0,2]=4 12860 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016282684 [0,2,0,0,0,0|0,0,2]=4 12861 B12R0.49 CCCCCC#CC(=O)C(C)C#N 1458a_100011215388_100000703298 [0,2,0,0,0,0|0,0,2]=4 12862 B12R0.49 CCCCCC#CC(=O)C(C)CC 1458a_100011215388_100000758301 [0,2,0,0,0,0|0,0,2]=4 12863 B12R0.49 CCCCCC#CC(=O)N(C)CC 240690a_100000225621_100011215388 [0,2,0,0,0,0|0,0,2]=4 12864 B12R0.49 CCCCCC=CC(=O)C(C)C#N 1458a_100016263427_100000703298 [0,2,0,0,0,0|0,0,2]=4 12865 B12R0.49 CCCCCC=CC(=O)C(C)CC 1458a_100016263427_100000758301 [0,2,0,0,0,0|0,0,2]=4 12866 B12R0.49 CCCCCC=CC(=O)N(C)CC 11a_100000225621_100016263427 [0,2,0,0,0,0|0,0,2]=4 12867 B12R0.49 CCCCCC=CC(=O)N(C)CC 1626a_100000225621_100016263427 [0,2,0,0,0,0|0,0,2]=4 12868 B12R0.49 CCCCCC=CC(=O)N(C)CC 240690a_100000225621_100016263427 [0,2,0,0,0,0|0,0,2]=4 12869 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,2,0,0,0,0|0,0,1]=3 12870 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000211969_100000703298 [0,2,0,0,0,0|0,0,0]=2 12871 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210614 [0,2,0,0,0,0|0,0,0]=2 12872 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,2,0,0,0,0|0,0,0]=2 12873 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,2,0,0,0,0|0,0,0]=2 12874 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,2,0,0,0,0|0,0,0]=2 12875 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [0,2,0,0,0,0|0,0,0]=2 12876 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,2,0,0,0,0|0,0,0]=2 12877 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,2,0,0,0,0|0,0,0]=2 12878 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,2,0,0,0,0|0,0,0]=2 12879 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,2,0,0,0,0|0,0,0]=2 12880 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,2,0,0,0,0|0,0,0]=2 12881 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,2,0,0,0,0|0,0,0]=2 12882 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|0,0,0]=2 12883 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|1,0,0]=3 12884 B12R0.49 CCCCCCCC(C)N(C)CC 2230a_100000225621_200011218727 [0,2,0,0,0,0|1,0,1]=4 12885 B12R0.49 CCCCCCCC(C)N(C)CC 269982a_100000225621_200011218727 [0,2,0,0,0,0|1,0,1]=4 12886 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,2,0,0,0,0|0,0,0]=2 12887 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,2,0,0,0,0|0,0,0]=2 12888 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,2,0,0,0,0|0,0,0]=2 12889 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,2,0,0,0,0|0,0,0]=2 12890 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,2,0,0,0,0|1,0,0]=3 12891 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,2,0,0,0,0|1,0,0]=3 12892 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,2,0,0,0,0|1,0,0]=3 12893 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,2,0,0,0,0|1,0,0]=3 12894 B12R0.49 CCCCCCCN(C)C(C)C#N 2230a_100000228206_100000184139 [0,2,0,0,0,0|2,0,0]=4 12895 B12R0.49 CCCCCCCN(C)C(C)C#N 269982a_100000228206_100000703298 [0,2,0,0,0,0|2,0,0]=4 12896 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000228206_100000758301 [0,2,0,0,0,0|1,0,1]=4 12897 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000741768_100000210681 [0,2,0,0,0,0|1,0,1]=4 12898 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000228206_100000758301 [0,2,0,0,0,0|1,0,1]=4 12899 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000741768_100000210681 [0,2,0,0,0,0|1,0,1]=4 12900 B12R0.49 CCCCCCCN(C)C(C)CO 2230a_100000228206_100012180447 [0,2,0,0,0,0|2,0,0]=4 12901 B12R0.49 CCCCCCCN(C)C(C)CO 2230a_100000693034_100000210681 [0,2,0,0,0,0|2,0,0]=4 12902 B12R0.49 CCCCCCCN(C)C(C)CO 269982a_100000693034_100000210681 [0,2,0,0,0,0|2,0,0]=4 12903 B12R0.49 CCCCCCCN(C)C(C)OC 269982a_100000228206_100009879195 [0,2,0,0,0,0|2,0,0]=4 12904 B12R0.49 CCCCCCCN(C)[C@H](C)CO 269982a_100000228206_100016084084 [0,2,0,0,0,0|2,0,0]=4 12905 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 12906 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 12907 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,2,0,0,0,0|1,0,1]=4 12908 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,2,0,0,0,0|1,0,1]=4 12909 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,2,0,0,0,0|1,0,1]=4 12910 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,2,0,0,0,0|1,0,1]=4 12911 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,2,0,0,0,0|1,0,1]=4 12912 B12R0.49 CCCCCCNC(=O)C(C)C#N 11a_100000210581_100000753662 [0,2,0,0,0,0|1,0,0]=3 12913 B12R0.49 CCCCCCNC(=O)C(C)C#N 1626a_100000210581_100000753662 [0,2,0,0,0,0|1,0,0]=3 12914 B12R0.49 CCCCCCNC(=O)C(C)C#N 240690a_100000210581_100000753662 [0,2,0,0,0,0|1,0,0]=3 12915 B12R0.49 CCCCCCNC(=O)C(C)C#N 527a_100000210581_100000753662 [0,2,0,0,0,0|1,0,0]=3 12916 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 12917 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 12918 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 12919 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 12920 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,2,0,0,0,0|1,0,0]=3 12921 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,2,0,0,0,0|1,0,0]=3 12922 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,2,0,0,0,0|1,0,0]=3 12923 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,2,0,0,0,0|1,0,0]=3 12924 B12R0.49 CCCCCCNC(=O)C(C)SC 11a_100000210581_100000149566 [0,2,0,0,0,0|1,0,0]=3 12925 B12R0.49 CCCCCCNC(=O)C(C)SC 1626a_100000210581_100000149566 [0,2,0,0,0,0|1,0,0]=3 12926 B12R0.49 CCCCCCNC(=O)C(C)SC 240690a_100000210581_100000149566 [0,2,0,0,0,0|1,0,0]=3 12927 B12R0.49 CCCCCCNC(=O)C(C)SC 527a_100000210581_100000149566 [0,2,0,0,0,0|1,0,0]=3 12928 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,2,0,0,0,0|1,0,0]=3 12929 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,2,0,0,0,0|1,0,0]=3 12930 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [0,2,0,0,0,0|1,0,0]=3 12931 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [0,2,0,0,0,0|1,0,0]=3 12932 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,2,0,0,0,0|0,0,0]=2 12933 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,2,0,0,0,0|1,0,0]=3 12934 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,2,0,0,0,0|1,0,0]=3 12935 B12R0.49 CCCCCCNC(C)C(C)CC 269862a_100000210581_100000210599 [0,2,0,0,0,0|1,0,1]=4 12936 B12R0.49 CCCCCCNC(C)C(C)CC 270004a_100000210581_100000210599 [0,2,0,0,0,0|1,0,1]=4 12937 B12R0.49 CCCCCCNC(F)C(=O)NC 2230a_100000210581_100009813575 [0,2,0,0,0,0|1,0,0]=3 12938 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,2,0,0,0,0|1,0,0]=3 12939 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,2,0,0,0,0|1,0,0]=3 12940 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,2,0,0,0,0|0,0,0]=2 12941 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,2,0,0,0,0|1,0,0]=3 12942 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,2,0,0,0,0|1,0,0]=3 12943 B12R0.49 CCCCCCOC(C)C(=O)NN 34a_100000725659_100000210314 [0,2,0,0,0,0|2,0,0]=4 12944 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,2,0,0,0,0|1,0,0]=3 12945 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,2,0,0,0,0|1,0,0]=3 12946 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,2,0,0,0,0|1,0,0]=3 12947 B12R0.49 CCCCCCOC(C)C(C)CC 7a_100011215189_100000210314 [0,2,0,0,0,0|1,0,1]=4 12948 B12R0.49 CCCCCCOC(F)C(=O)NC 34a_100000210259_100009813575 [0,2,0,0,0,0|1,0,0]=3 12949 B12R0.49 CCCCCCOC(F)C(=O)NC 7a_100000210259_100009813575 [0,2,0,0,0,0|1,0,0]=3 12950 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,2,0,0,0,0|0,0,0]=2 12951 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,2,0,0,0,0|0,0,0]=2 12952 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,2,0,0,0,0|1,0,0]=3 12953 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,2,0,0,0,0|1,0,0]=3 12954 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,2,0,0,0,0|1,0,0]=3 12955 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,2,0,0,0,0|1,0,0]=3 12956 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100000210314_100009813575 [0,2,0,0,0,0|1,0,0]=3 12957 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100009813575_100000210757 [0,2,0,0,0,0|1,0,0]=3 12958 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [0,2,0,0,0,0|1,0,0]=3 12959 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100000209983_100000764215 [0,2,0,0,0,0|2,0,0]=4 12960 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210326 [0,2,0,0,0,0|2,0,0]=4 12961 B12R0.49 CCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210326 [0,2,0,0,0,0|1,0,0]=3 12962 B12R0.49 CCCCCNCC(C)C(=O)NC 34a_100015187722_100000718602 [0,2,0,0,0,0|1,0,0]=3 12963 B12R0.49 CCCCCNNC(=O)C(C)C#N 22a_100000694160_100000753662 [0,2,0,0,0,0|2,0,0]=4 12964 B12R0.49 CCCCCNNC(=O)C(C)CC 22a_100000694160_100011192722 [0,2,0,0,0,0|2,0,0]=4 12965 B12R0.49 CCCCCNNC(=O)C(C)OC 22a_100000694160_100000743197 [0,2,0,0,0,0|2,0,0]=4 12966 B12R0.49 CCCCCNNC(=O)C(C)SC 22a_100000694160_100000149566 [0,2,0,0,0,0|2,0,0]=4 12967 B12R0.49 CCCCCNNC(=O)C(O)CC 22a_100000694160_100011196387 [0,2,0,0,0,0|2,0,0]=4 12968 B12R0.49 CCCCCNNC(=O)C(O)CO 22a_100000694160_100011215603 [0,2,0,0,0,0|2,0,0]=4 12969 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|1,0,1]=4 12970 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [0,2,0,0,0,0|1,0,0]=3 12971 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [0,2,0,0,0,0|1,0,0]=3 12972 B12R0.49 CCCCCOCC(=O)N(C)OC 7a_100000210253_100000764215 [0,2,0,0,0,0|2,0,0]=4 12973 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,2,0,0,0,0|1,0,0]=3 12974 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,2,0,0,0,0|1,0,0]=3 12975 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,2,0,0,0,0|1,0,0]=3 12976 B12R0.49 CCCCCOCC(C)N(C)CC 7a_100000732741_100000210326 [0,2,0,0,0,0|2,0,0]=4 12977 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,2,0,0,0,0|1,0,0]=3 12978 B12R0.49 CCCCCOCC(N)C(=O)NN 34a_100016989258_100000718602 [0,2,0,0,0,0|2,0,0]=4 12979 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,2,0,0,0,0|1,0,0]=3 12980 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,2,0,0,0,0|1,0,1]=4 12981 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,2,0,0,0,0|1,0,1]=4 12982 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [0,2,0,0,0,0|1,0,0]=3 12983 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [0,2,0,0,0,0|1,0,0]=3 12984 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000210326_100000764215 [0,2,0,0,0,0|2,0,0]=4 12985 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000764215_100000210326 [0,2,0,0,0,0|2,0,0]=4 12986 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,2,0,0,0,0|1,0,0]=3 12987 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,2,0,0,0,0|1,0,0]=3 12988 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,2,0,0,0,0|1,0,0]=3 12989 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,2,0,0,0,0|1,0,0]=3 12990 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,2,0,0,0,0|1,0,1]=4 12991 B12R0.49 CCCCOCCC(=O)C(C)C#N 1458a_100000753662_100000743108 [0,2,0,0,0,0|1,0,0]=3 12992 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [0,2,0,0,0,0|1,0,0]=3 12993 B12R0.49 CCCCOCCC(=O)C(C)OC 1458a_100000743197_100000743108 [0,2,0,0,0,0|1,0,0]=3 12994 B12R0.49 CCCCOCCC(=O)C(C)SC 1458a_100000149566_100000743108 [0,2,0,0,0,0|1,0,0]=3 12995 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,2,0,0,0,0|1,0,0]=3 12996 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,2,0,0,0,0|1,0,0]=3 12997 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,2,0,0,0,0|1,0,0]=3 12998 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,2,0,0,0,0|1,0,0]=3 12999 B12R0.49 CCCCOCN[C@H](C)C(=O)NC 2230a_100000684985_100011995733 [0,2,0,0,0,0|2,0,0]=4 13000 B12R0.49 CCCCOCN[C@H](C)C(=O)NC 34a_100000684985_100011995733 [0,2,0,0,0,0|2,0,0]=4 13001 B12R0.49 CCCCOCOC(C)C(=O)OC 34a_100011215400_100011995733 [0,2,0,0,0,0|2,0,0]=4 13002 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100000742827_100011995733 [0,2,0,0,0,0|1,0,0]=3 13003 B12R0.49 CCCCOCSC(C)C(=O)CC 62a_100011995733_100000742827 [0,2,0,0,0,0|1,0,0]=3 13004 B12R0.49 CCCCOCSC(C)C(=O)NC 62a_100000209862_100011995733 [0,2,0,0,0,0|2,0,0]=4 13005 B12R0.49 CCCCOCSC(C)C(=O)NC 62a_100011995733_100000731044 [0,2,0,0,0,0|2,0,0]=4 13006 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100000211248_100011995733 [0,2,0,0,0,0|2,0,0]=4 13007 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100011995733_100000211248 [0,2,0,0,0,0|2,0,0]=4 13008 B12R0.49 CCCCOCSC(F)C(=O)NC 62a_100009813575_100011995733 [0,2,0,0,0,0|2,0,0]=4 13009 B12R0.49 CCCCOCSC(F)C(=O)NC 62a_100011995733_100009813575 [0,2,0,0,0,0|2,0,0]=4 13010 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,2,0,0,0,0|1,0,0]=3 13011 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,2,0,0,0,0|1,0,0]=3 13012 B12R0.49 CCCOCCNC(=O)C(C)C#N 1626a_100161115042_100000753662 [0,2,0,0,0,0|2,0,0]=4 13013 B12R0.49 CCCOCCNC(=O)C(C)C#N 240690a_100161115042_100000753662 [0,2,0,0,0,0|2,0,0]=4 13014 B12R0.49 CCCOCCNC(=O)C(C)C#N 527a_100161115042_100000753662 [0,2,0,0,0,0|2,0,0]=4 13015 B12R0.49 CCCOCCNC(=O)C(C)CC 1626a_100161115042_100011192722 [0,2,0,0,0,0|2,0,0]=4 13016 B12R0.49 CCCOCCNC(=O)C(C)CC 240690a_100161115042_100011192722 [0,2,0,0,0,0|2,0,0]=4 13017 B12R0.49 CCCOCCNC(=O)C(C)CC 527a_100161115042_100011192722 [0,2,0,0,0,0|2,0,0]=4 13018 B12R0.49 CCCOCCNC(=O)C(C)OC 1626a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 13019 B12R0.49 CCCOCCNC(=O)C(C)OC 240690a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 13020 B12R0.49 CCCOCCNC(=O)C(C)OC 527a_100161115042_100000743197 [0,2,0,0,0,0|2,0,0]=4 13021 B12R0.49 CCCOCCNC(=O)C(C)SC 1626a_100161115042_100000149566 [0,2,0,0,0,0|2,0,0]=4 13022 B12R0.49 CCCOCCNC(=O)C(C)SC 240690a_100161115042_100000149566 [0,2,0,0,0,0|2,0,0]=4 13023 B12R0.49 CCCOCCNC(=O)C(C)SC 527a_100161115042_100000149566 [0,2,0,0,0,0|2,0,0]=4 13024 B12R0.49 CCCOCCNC(=O)C(O)CC 240690a_100161115042_100011196387 [0,2,0,0,0,0|2,0,0]=4 13025 B12R0.49 CCCOCCNC(=O)C(O)CO 240690a_100161115042_100011215603 [0,2,0,0,0,0|2,0,0]=4 13026 B12R0.49 CCCOCCNC(=O)N(C)CC 2708a_100161115042_100000225621 [0,2,0,0,0,0|2,0,0]=4 13027 B12R0.49 CCCOCCNC(=O)N(C)CC 273464a_100161115042_100000225621 [0,2,0,0,0,0|2,0,0]=4 13028 B12R0.49 CCCOCCNC(C)C(=O)CC 2230a_100161115042_100000742827 [0,2,0,0,0,0|1,0,0]=3 13029 B12R0.49 CCCOCCNC(C)C(=O)NC 2230a_100161115042_100000731044 [0,2,0,0,0,0|2,0,0]=4 13030 B12R0.49 CCCOCCNC(C)C(=O)NC 34a_100161115042_100000731044 [0,2,0,0,0,0|2,0,0]=4 13031 B12R0.49 CCCOCCNC(C)C(=O)OC 2230a_100161115042_100000211248 [0,2,0,0,0,0|2,0,0]=4 13032 B12R0.49 CCCOCCNC(C)C(=O)OC 34a_100161115042_100000211248 [0,2,0,0,0,0|2,0,0]=4 13033 B12R0.49 CCCOCCNC(F)C(=O)NC 2230a_100161115042_100009813575 [0,2,0,0,0,0|2,0,0]=4 13034 B12R0.49 CCCOCCNC(F)C(=O)NC 34a_100161115042_100009813575 [0,2,0,0,0,0|2,0,0]=4 13035 B12R0.49 CCCOCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215938 [0,2,0,0,0,0|2,0,0]=4 13036 B12R0.49 CCCOCCN[C@H](C)C(=O)NC 34a_100000684985_100011215938 [0,2,0,0,0,0|2,0,0]=4 13037 B12R0.49 CCCOCCOC(C)C(=O)CC 7a_100000752267_100000742827 [0,2,0,0,0,0|1,0,0]=3 13038 B12R0.49 CCCOCCOC(C)C(=O)NC 34a_100000752267_100000731044 [0,2,0,0,0,0|2,0,0]=4 13039 B12R0.49 CCCOCCOC(C)C(=O)NC 7a_100000752267_100000209862 [0,2,0,0,0,0|2,0,0]=4 13040 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100000752267_100000211248 [0,2,0,0,0,0|2,0,0]=4 13041 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100011215400_100011215938 [0,2,0,0,0,0|2,0,0]=4 13042 B12R0.49 CCCOCCOC(C)C(=O)OC 7a_100000752267_100000211248 [0,2,0,0,0,0|2,0,0]=4 13043 B12R0.49 CCCOCCOC(F)C(=O)NC 34a_100000752267_100009813575 [0,2,0,0,0,0|2,0,0]=4 13044 B12R0.49 CCCOCCOC(F)C(=O)NC 7a_100000752267_100009813575 [0,2,0,0,0,0|2,0,0]=4 13045 B12R0.49 CCCOCCSC(C)C(=O)CC 62a_100000742827_100011215938 [0,2,0,0,0,0|1,0,0]=3 13046 B12R0.49 CCCOCCSC(C)C(=O)CC 62a_100011215938_100000742827 [0,2,0,0,0,0|1,0,0]=3 13047 B12R0.49 CCCOCCSC(C)C(=O)NC 62a_100000209862_100011215938 [0,2,0,0,0,0|2,0,0]=4 13048 B12R0.49 CCCOCCSC(C)C(=O)NC 62a_100011215938_100000731044 [0,2,0,0,0,0|2,0,0]=4 13049 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100000211248_100011215938 [0,2,0,0,0,0|2,0,0]=4 13050 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100011215938_100000211248 [0,2,0,0,0,0|2,0,0]=4 13051 B12R0.49 CCCOCCSC(F)C(=O)NC 62a_100009813575_100011215938 [0,2,0,0,0,0|2,0,0]=4 13052 B12R0.49 CCCOCCSC(F)C(=O)NC 62a_100011215938_100009813575 [0,2,0,0,0,0|2,0,0]=4 13053 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100000210303_100011842776 [0,2,0,0,0,0|2,0,0]=4 13054 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100011842776_100000210303 [0,2,0,0,0,0|2,0,0]=4 13055 B12R0.49 CCCSCCNC(=O)C(C)C#N 11a_100020603323_100000753662 [0,2,0,0,0,0|2,0,0]=4 13056 B12R0.49 CCCSCCNC(=O)C(C)C#N 240690a_100020603323_100000753662 [0,2,0,0,0,0|2,0,0]=4 13057 B12R0.49 CCCSCCNC(=O)C(C)C#N 527a_100020603323_100000753662 [0,2,0,0,0,0|2,0,0]=4 13058 B12R0.49 CCCSCCNC(=O)C(C)CC 11a_100020603323_100011192722 [0,2,0,0,0,0|2,0,0]=4 13059 B12R0.49 CCCSCCNC(=O)C(C)CC 240690a_100020603323_100011192722 [0,2,0,0,0,0|2,0,0]=4 13060 B12R0.49 CCCSCCNC(=O)C(C)CC 527a_100020603323_100011192722 [0,2,0,0,0,0|2,0,0]=4 13061 B12R0.49 CCCSCCNC(=O)C(C)OC 11a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 13062 B12R0.49 CCCSCCNC(=O)C(C)OC 240690a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 13063 B12R0.49 CCCSCCNC(=O)C(C)OC 527a_100020603323_100000743197 [0,2,0,0,0,0|2,0,0]=4 13064 B12R0.49 CCCSCCNC(=O)C(C)SC 11a_100020603323_100000149566 [0,2,0,0,0,0|2,0,0]=4 13065 B12R0.49 CCCSCCNC(=O)C(C)SC 240690a_100020603323_100000149566 [0,2,0,0,0,0|2,0,0]=4 13066 B12R0.49 CCCSCCNC(=O)C(C)SC 527a_100020603323_100000149566 [0,2,0,0,0,0|2,0,0]=4 13067 B12R0.49 CCCSCCNC(=O)C(O)CC 240690a_100020603323_100011196387 [0,2,0,0,0,0|2,0,0]=4 13068 B12R0.49 CCCSCCNC(=O)C(O)CO 240690a_100020603323_100011215603 [0,2,0,0,0,0|2,0,0]=4 13069 B12R0.49 CCCSCCNC(=O)N(C)CC 2708a_100020603323_100000225621 [0,2,0,0,0,0|2,0,0]=4 13070 B12R0.49 CCCSCCNC(=O)N(C)CC 273464a_100020603323_100000225621 [0,2,0,0,0,0|2,0,0]=4 13071 B12R0.49 CCCSCCNC(C)C(=O)CC 2230a_100020603323_100000742827 [0,2,0,0,0,0|1,0,0]=3 13072 B12R0.49 CCCSCCNC(C)C(=O)NC 2230a_100020603323_100000731044 [0,2,0,0,0,0|2,0,0]=4 13073 B12R0.49 CCCSCCNC(C)C(=O)OC 2230a_100020603323_100000211248 [0,2,0,0,0,0|2,0,0]=4 13074 B12R0.49 CCCSCCNC(F)C(=O)NC 2230a_100020603323_100009813575 [0,2,0,0,0,0|2,0,0]=4 13075 B12R0.49 CCCSCCOC(C)C(=O)CC 7a_200000230433_100000742827 [0,2,0,0,0,0|1,0,0]=3 13076 B12R0.49 CCCSCCOC(C)C(=O)NC 34a_200000230433_100000731044 [0,2,0,0,0,0|2,0,0]=4 13077 B12R0.49 CCCSCCOC(C)C(=O)NC 7a_200000230433_100000209862 [0,2,0,0,0,0|2,0,0]=4 13078 B12R0.49 CCCSCCOC(C)C(=O)OC 34a_200000230433_100000211248 [0,2,0,0,0,0|2,0,0]=4 13079 B12R0.49 CCCSCCOC(C)C(=O)OC 7a_200000230433_100000211248 [0,2,0,0,0,0|2,0,0]=4 13080 B12R0.49 CCCSCCOC(F)C(=O)NC 34a_200000230433_100009813575 [0,2,0,0,0,0|2,0,0]=4 13081 B12R0.49 CCCSCCOC(F)C(=O)NC 7a_200000230433_100009813575 [0,2,0,0,0,0|2,0,0]=4 13082 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [0,2,0,0,0,0|1,0,0]=3 13083 B12R0.49 CCN(C)C(=O)CCCCCOC 11a_100000225621_100011935119 [0,2,0,0,0,0|1,0,0]=3 13084 B12R0.49 CCN(C)C(=O)CCCCCOC 1626a_100000225621_100011935119 [0,2,0,0,0,0|1,0,0]=3 13085 B12R0.49 CCN(C)C(=O)CCCCCOC 240690a_100000225621_100011935119 [0,2,0,0,0,0|1,0,0]=3 13086 B12R0.49 CCN(C)C(=O)CCCCCOC 527a_100000225621_100011935119 [0,2,0,0,0,0|1,0,0]=3 13087 B12R0.49 CCN(C)C(=O)CCOCCOC 11a_100000225621_100000745395 [0,2,0,0,0,0|2,0,0]=4 13088 B12R0.49 CCN(C)C(=O)CCOCCOC 1626a_100000225621_100000745395 [0,2,0,0,0,0|2,0,0]=4 13089 B12R0.49 CCN(C)C(=O)CCOCCOC 240690a_100000225621_100000745395 [0,2,0,0,0,0|2,0,0]=4 13090 B12R0.49 CCN(C)C(=O)CCOCCOC 527a_100000225621_100000745395 [0,2,0,0,0,0|2,0,0]=4 13091 B12R0.49 CCN(C)C(=O)CNCCCCO 2230a_100000750430_100000738999 [0,2,0,0,0,0|2,0,0]=4 13092 B12R0.49 CCN(C)C(=O)CNCCCCO 34a_100000750430_100000738999 [0,2,0,0,0,0|2,0,0]=4 13093 B12R0.49 CCN(C)C(=O)CNCCCOC 34a_100150723488_100000738999 [0,2,0,0,0,0|2,0,0]=4 13094 B12R0.49 CCN(C)C(=O)CNCCCSC 2230a_100000749238_100000738999 [0,2,0,0,0,0|2,0,0]=4 13095 B12R0.49 CCN(C)C(=O)COCCCCBr 34a_100011216708_100000738999 [0,2,0,0,0,0|2,0,0]=4 13096 B12R0.49 CCN(C)C(=O)COCCCCCl 34a_100000210776_100000738999 [0,2,0,0,0,0|2,0,0]=4 13097 B12R0.49 CCN(C)C(=O)COCCCCCl 7a_100000210776_100000738999 [0,2,0,0,0,0|2,0,0]=4 13098 B12R0.49 CCN(C)C(=O)COCCCCF 34a_100011995726_100000738999 [0,2,0,0,0,0|2,0,0]=4 13099 B12R0.49 CCN(C)C(=O)COCCCCF 7a_100011995726_100000738999 [0,2,0,0,0,0|2,0,0]=4 13100 B12R0.49 CCN(C)C(=O)COCCCCI 34a_200012148704_100000738999 [0,2,0,0,0,0|2,0,0]=4 13101 B12R0.49 CCN(C)C(=O)COCCCCN 34a_100000750430_100000738999 [0,2,0,0,0,0|2,0,0]=4 13102 B12R0.49 CCN(C)C(=O)COCCCNC 34a_100000213112_100000738999 [0,2,0,0,0,0|2,0,0]=4 13103 B12R0.49 CCN(C)C(=O)COCCCOC 34a_100000740835_100000738999 [0,2,0,0,0,0|2,0,0]=4 13104 B12R0.49 CCN(C)C(=O)COCCCSC 34a_100000690336_100000738999 [0,2,0,0,0,0|2,0,0]=4 13105 B12R0.49 CCN(C)C(=O)COCCCSC 7a_100000690336_100000738999 [0,2,0,0,0,0|2,0,0]=4 13106 B12R0.49 CCN(C)C(=O)CSCCCCF 62a_100000729493_100000738999 [0,2,0,0,0,0|2,0,0]=4 13107 B12R0.49 CCN(C)C(=O)CSCCCCF 62a_100000738999_100000729493 [0,2,0,0,0,0|2,0,0]=4 13108 B12R0.49 CCN(C)C(=O)CSCCCCO 62a_100000210776_100000738999 [0,2,0,0,0,0|2,0,0]=4 13109 B12R0.49 CCN(C)C(=O)CSCCCCO 62a_100000738999_100000210776 [0,2,0,0,0,0|2,0,0]=4 13110 B12R0.49 CCN(C)C(=O)CSCCCOC 62a_100000709357_100000738999 [0,2,0,0,0,0|2,0,0]=4 13111 B12R0.49 CCN(C)C(=O)CSCCCOC 62a_100000738999_100000709357 [0,2,0,0,0,0|2,0,0]=4 13112 B12R0.49 CCN(C)C(=O)NCCCCCO 273464a_100000762737_100000225621 [0,2,0,0,0,0|2,0,0]=4 13113 B12R0.49 CCOCCCNC(=O)C(C)C#N 11a_100000210961_100000753662 [0,2,0,0,0,0|2,0,0]=4 13114 B12R0.49 CCOCCCNC(=O)C(C)C#N 1626a_100000210961_100000753662 [0,2,0,0,0,0|2,0,0]=4 13115 B12R0.49 CCOCCCNC(=O)C(C)C#N 240690a_100000210961_100000753662 [0,2,0,0,0,0|2,0,0]=4 13116 B12R0.49 CCOCCCNC(=O)C(C)C#N 527a_100000210961_100000753662 [0,2,0,0,0,0|2,0,0]=4 13117 B12R0.49 CCOCCCNC(=O)C(C)CC 11a_100000210961_100011192722 [0,2,0,0,0,0|2,0,0]=4 13118 B12R0.49 CCOCCCNC(=O)C(C)CC 1626a_100000210961_100011192722 [0,2,0,0,0,0|2,0,0]=4 13119 B12R0.49 CCOCCCNC(=O)C(C)CC 240690a_100000210961_100011192722 [0,2,0,0,0,0|2,0,0]=4 13120 B12R0.49 CCOCCCNC(=O)C(C)CC 527a_100000210961_100011192722 [0,2,0,0,0,0|2,0,0]=4 13121 B12R0.49 CCOCCCNC(=O)C(C)NC 2230a_106832991635_100000735933 [0,2,0,0,0,0|2,0,0]=4 13122 B12R0.49 CCOCCCNC(=O)C(C)NC 7a_106832991635_100000735933 [0,2,0,0,0,0|2,0,0]=4 13123 B12R0.49 CCOCCCNC(=O)C(C)OC 11a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 13124 B12R0.49 CCOCCCNC(=O)C(C)OC 1626a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 13125 B12R0.49 CCOCCCNC(=O)C(C)OC 240690a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 13126 B12R0.49 CCOCCCNC(=O)C(C)OC 527a_100000210961_100000743197 [0,2,0,0,0,0|2,0,0]=4 13127 B12R0.49 CCOCCCNC(=O)C(C)SC 11a_100000210961_100000149566 [0,2,0,0,0,0|2,0,0]=4 13128 B12R0.49 CCOCCCNC(=O)C(C)SC 1626a_100000210961_100000149566 [0,2,0,0,0,0|2,0,0]=4 13129 B12R0.49 CCOCCCNC(=O)C(C)SC 240690a_100000210961_100000149566 [0,2,0,0,0,0|2,0,0]=4 13130 B12R0.49 CCOCCCNC(=O)C(C)SC 527a_100000210961_100000149566 [0,2,0,0,0,0|2,0,0]=4 13131 B12R0.49 CCOCCCNC(=O)C(C)SC 62a_100000735933_200000210301 [0,2,0,0,0,0|2,0,0]=4 13132 B12R0.49 CCOCCCNC(=O)C(C)SC 62a_200000210301_100000735933 [0,2,0,0,0,0|2,0,0]=4 13133 B12R0.49 CCOCCCNC(=O)C(C)S[13CH3] 62a_100000735933_200025704644 [0,2,0,0,0,0|2,0,0]=4 13134 B12R0.49 CCOCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735933 [0,2,0,0,0,0|2,0,0]=4 13135 B12R0.49 CCOCCCNC(=O)C(O)CC 240690a_100000210961_100011196387 [0,2,0,0,0,0|2,0,0]=4 13136 B12R0.49 CCOCCCNC(=O)C(O)CO 240690a_100000210961_100011215603 [0,2,0,0,0,0|2,0,0]=4 13137 B12R0.49 CCOCCCNC(=O)N(C)CC 2708a_100000210961_100000225621 [0,2,0,0,0,0|2,0,0]=4 13138 B12R0.49 CCOCCCNC(=O)N(C)CC 273464a_100000210961_100000225621 [0,2,0,0,0,0|2,0,0]=4 13139 B12R0.49 CCOCCCNC(C)C(=O)CC 2230a_100000210961_100000742827 [0,2,0,0,0,0|1,0,0]=3 13140 B12R0.49 CCOCCCNC(C)C(=O)NC 2230a_100000210961_100000731044 [0,2,0,0,0,0|2,0,0]=4 13141 B12R0.49 CCOCCCNC(C)C(=O)NC 34a_100000210961_100000731044 [0,2,0,0,0,0|2,0,0]=4 13142 B12R0.49 CCOCCCNC(C)C(=O)OC 2230a_100000210961_100000211248 [0,2,0,0,0,0|2,0,0]=4 13143 B12R0.49 CCOCCCNC(C)C(=O)OC 34a_100000210961_100000211248 [0,2,0,0,0,0|2,0,0]=4 13144 B12R0.49 CCOCCCNC(F)C(=O)NC 2230a_100000210961_100009813575 [0,2,0,0,0,0|2,0,0]=4 13145 B12R0.49 CCOCCCNC(F)C(=O)NC 34a_100000210961_100009813575 [0,2,0,0,0,0|2,0,0]=4 13146 B12R0.49 CCOCCCN[C@H](C)C(=O)NC 2230a_100000684985_100012232248 [0,2,0,0,0,0|2,0,0]=4 13147 B12R0.49 CCOCCCN[C@H](C)C(=O)NC 34a_100000684985_100012232248 [0,2,0,0,0,0|2,0,0]=4 13148 B12R0.49 CCOCCCOC(C)C(=O)CC 7a_100000757476_100000742827 [0,2,0,0,0,0|1,0,0]=3 13149 B12R0.49 CCOCCCOC(C)C(=O)NC 34a_100000757476_100000731044 [0,2,0,0,0,0|2,0,0]=4 13150 B12R0.49 CCOCCCOC(C)C(=O)NC 7a_100000757476_100000209862 [0,2,0,0,0,0|2,0,0]=4 13151 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100000757476_100000211248 [0,2,0,0,0,0|2,0,0]=4 13152 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100011215400_100012232248 [0,2,0,0,0,0|2,0,0]=4 13153 B12R0.49 CCOCCCOC(C)C(=O)OC 7a_100000757476_100000211248 [0,2,0,0,0,0|2,0,0]=4 13154 B12R0.49 CCOCCCOC(F)C(=O)NC 34a_100000757476_100009813575 [0,2,0,0,0,0|2,0,0]=4 13155 B12R0.49 CCOCCCOC(F)C(=O)NC 7a_100000757476_100009813575 [0,2,0,0,0,0|2,0,0]=4 13156 B12R0.49 CCOCCCSC(C)C(=O)CC 62a_100000742827_100012232248 [0,2,0,0,0,0|1,0,0]=3 13157 B12R0.49 CCOCCCSC(C)C(=O)CC 62a_100012232248_100000742827 [0,2,0,0,0,0|1,0,0]=3 13158 B12R0.49 CCOCCCSC(C)C(=O)NC 62a_100000209862_100012232248 [0,2,0,0,0,0|2,0,0]=4 13159 B12R0.49 CCOCCCSC(C)C(=O)NC 62a_100012232248_100000731044 [0,2,0,0,0,0|2,0,0]=4 13160 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100000211248_100012232248 [0,2,0,0,0,0|2,0,0]=4 13161 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100012232248_100000211248 [0,2,0,0,0,0|2,0,0]=4 13162 B12R0.49 CCOCCCSC(F)C(=O)NC 62a_100009813575_100012232248 [0,2,0,0,0,0|2,0,0]=4 13163 B12R0.49 CCOCCCSC(F)C(=O)NC 62a_100012232248_100009813575 [0,2,0,0,0,0|2,0,0]=4 13164 B12R0.49 CCOCCNCC(=O)N(C)CC 2230a_102516460346_100000738999 [0,2,0,0,0,0|2,0,0]=4 13165 B12R0.49 CCOCCNCC(=O)N(C)CC 34a_102516460346_100000738999 [0,2,0,0,0,0|2,0,0]=4 13166 B12R0.49 CCOCCNCC(C)C(=O)NC 2230a_100015187722_100011215890 [0,2,0,0,0,0|2,0,0]=4 13167 B12R0.49 CCOCCNCC(C)C(=O)NC 34a_100015187722_100000210147 [0,2,0,0,0,0|2,0,0]=4 13168 B12R0.49 CCOCCNCC(C)C(=O)OC 34a_102516460346_100000698445 [0,2,0,0,0,0|2,0,0]=4 13169 B12R0.49 CCOCCOCC(=O)N(C)CC 34a_100000210136_100000738999 [0,2,0,0,0,0|2,0,0]=4 13170 B12R0.49 CCOCCOCC(=O)N(C)CC 7a_100000210136_100000738999 [0,2,0,0,0,0|2,0,0]=4 13171 B12R0.49 CCOCCOCC(C)C(=O)OC 34a_100000210136_100000698445 [0,2,0,0,0,0|2,0,0]=4 13172 B12R0.49 CCOCCOCC(C)C(=O)OC 34a_100000749362_100000210147 [0,2,0,0,0,0|2,0,0]=4 13173 B12R0.49 CCOCCOCC(C)C(=O)OC 7a_100000749362_100011215890 [0,2,0,0,0,0|2,0,0]=4 13174 B12R0.49 CCOCCOCC(F)C(=O)OC 34a_200009849844_100000210147 [0,2,0,0,0,0|2,0,0]=4 13175 B12R0.49 CCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210147 [0,2,0,0,0,0|2,0,0]=4 13176 B12R0.49 CCOCCSCC(=O)N(C)CC 62a_100000210147_100000738999 [0,2,0,0,0,0|2,0,0]=4 13177 B12R0.49 CCOCCSCC(=O)N(C)CC 62a_100000738999_100011215890 [0,2,0,0,0,0|2,0,0]=4 13178 B12R0.49 CCOCCSCC(C)C(=O)OC 62a_100000210147_100000698445 [0,2,0,0,0,0|2,0,0]=4 13179 B12R0.49 CCOCCSCC(C)C(=O)OC 62a_100000698445_100011215890 [0,2,0,0,0,0|2,0,0]=4 13180 B12R0.49 CCOCSCCC(C)C(=O)OC 62a_100000034942_100000739092 [0,2,0,0,0,0|2,0,0]=4 13181 B12R0.49 CCOCSCCC(C)C(=O)OC 62a_100000739092_100000034942 [0,2,0,0,0,0|2,0,0]=4 13182 B12R0.49 CCSCCCOC(C)C(=O)CC 7a_100011216438_100000742827 [0,2,0,0,0,0|1,0,0]=3 13183 B12R0.49 CCSCCCOC(C)C(=O)NC 34a_100011216438_100000731044 [0,2,0,0,0,0|2,0,0]=4 13184 B12R0.49 CCSCCCOC(C)C(=O)NC 7a_100011216438_100000209862 [0,2,0,0,0,0|2,0,0]=4 13185 B12R0.49 CCSCCCOC(C)C(=O)OC 34a_100011216438_100000211248 [0,2,0,0,0,0|2,0,0]=4 13186 B12R0.49 CCSCCCOC(C)C(=O)OC 7a_100011216438_100000211248 [0,2,0,0,0,0|2,0,0]=4 13187 B12R0.49 CCSCCCOC(F)C(=O)NC 34a_100011216438_100009813575 [0,2,0,0,0,0|2,0,0]=4 13188 B12R0.49 CCSCCCOC(F)C(=O)NC 7a_100011216438_100009813575 [0,2,0,0,0,0|2,0,0]=4 13189 B12R0.49 CCSCCNCC(=O)N(C)CC 2230a_100000106463_100000738999 [0,2,0,0,0,0|2,0,0]=4 13190 B12R0.49 CCSCCNCC(C)C(=O)NC 2230a_100015187722_100000757381 [0,2,0,0,0,0|2,0,0]=4 13191 B12R0.49 CCSCCNCC(C)C(=O)NC 34a_100015187722_100000757381 [0,2,0,0,0,0|2,0,0]=4 13192 B12R0.49 CCSCCOCC(=O)N(C)CC 34a_100000212035_100000738999 [0,2,0,0,0,0|2,0,0]=4 13193 B12R0.49 CCSCCOCC(=O)N(C)CC 7a_100000212035_100000738999 [0,2,0,0,0,0|2,0,0]=4 13194 B12R0.49 CCSCCOCC(C)C(=O)OC 34a_100000212035_100000698445 [0,2,0,0,0,0|2,0,0]=4 13195 B12R0.49 CCSCCOCC(C)C(=O)OC 34a_100000749362_100000757381 [0,2,0,0,0,0|2,0,0]=4 13196 B12R0.49 CCSCCOCC(C)C(=O)OC 7a_100000749362_100000757381 [0,2,0,0,0,0|2,0,0]=4 13197 B12R0.49 CCSCCOCC(F)C(=O)OC 34a_200009849844_100000757381 [0,2,0,0,0,0|2,0,0]=4 13198 B12R0.49 CCSCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757381 [0,2,0,0,0,0|2,0,0]=4 13199 B12R0.49 CCSCCSCC(=O)N(C)CC 62a_100000738999_100000757381 [0,2,0,0,0,0|2,0,0]=4 13200 B12R0.49 CCSCCSCC(=O)N(C)CC 62a_100000757381_100000738999 [0,2,0,0,0,0|2,0,0]=4 13201 B12R0.49 CCSCCSCC(C)C(=O)OC 62a_100000698445_100000757381 [0,2,0,0,0,0|2,0,0]=4 13202 B12R0.49 CCSCCSCC(C)C(=O)OC 62a_100000757381_100000698445 [0,2,0,0,0,0|2,0,0]=4 13203 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,2,0,0,0,0|1,0,1]=4 13204 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,2,0,0,0,0|1,0,1]=4 13205 B12R0.49 CNC(=O)C(C)CNCCCCF 2230a_100015187722_100000729493 [0,2,0,0,0,0|2,0,0]=4 13206 B12R0.49 CNC(=O)C(C)CNCCCCF 34a_100015187722_100000729493 [0,2,0,0,0,0|2,0,0]=4 13207 B12R0.49 CNC(=O)C(C)CNCCCCO 2230a_100015187722_100000210776 [0,2,0,0,0,0|2,0,0]=4 13208 B12R0.49 CNC(=O)C(C)CNCCCCO 34a_100015187722_100011216708 [0,2,0,0,0,0|2,0,0]=4 13209 B12R0.49 CNC(=O)C(C)CNCCCOC 2230a_100015187722_100000740836 [0,2,0,0,0,0|2,0,0]=4 13210 B12R0.49 CNC(=O)C(C)CNCCCOC 34a_100015187722_100000740836 [0,2,0,0,0,0|2,0,0]=4 13211 B12R0.49 CNC(=O)C(C)NCCCCCO 2230a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 13212 B12R0.49 CNC(=O)C(C)NCCCCCO 34a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 13213 B12R0.49 CNC(=O)C(C)OCCCCCBr 34a_100000746331_100000731044 [0,2,0,0,0,0|2,0,0]=4 13214 B12R0.49 CNC(=O)C(C)OCCCCCBr 7a_100000746331_100000209862 [0,2,0,0,0,0|2,0,0]=4 13215 B12R0.49 CNC(=O)C(C)OCCCCCCl 34a_100000746330_100000731044 [0,2,0,0,0,0|2,0,0]=4 13216 B12R0.49 CNC(=O)C(C)OCCCCCCl 7a_100000746330_100000209862 [0,2,0,0,0,0|2,0,0]=4 13217 B12R0.49 CNC(=O)C(C)OCCCCCI 34a_200012148887_100000731044 [0,2,0,0,0,0|2,0,0]=4 13218 B12R0.49 CNC(=O)C(C)OCCCCCI 7a_200012148887_100000209862 [0,2,0,0,0,0|2,0,0]=4 13219 B12R0.49 CNC(=O)C(C)OCCCCCN 34a_100000762737_100000731044 [0,2,0,0,0,0|2,0,0]=4 13220 B12R0.49 CNC(=O)C(C)OCCCCOC 34a_100000740925_100000731044 [0,2,0,0,0,0|2,0,0]=4 13221 B12R0.49 CNC(=O)C(C)OCCCCSC 34a_100011217163_100000731044 [0,2,0,0,0,0|2,0,0]=4 13222 B12R0.49 CNC(=O)C(C)OCCCCSC 7a_100011217163_100000209862 [0,2,0,0,0,0|2,0,0]=4 13223 B12R0.49 CNC(=O)C(C)SCCCCCF 62a_100000209862_100000729378 [0,2,0,0,0,0|2,0,0]=4 13224 B12R0.49 CNC(=O)C(C)SCCCCCF 62a_100000729378_100000731044 [0,2,0,0,0,0|2,0,0]=4 13225 B12R0.49 CNC(=O)C(C)SCCCCCO 62a_100000209862_100000746330 [0,2,0,0,0,0|2,0,0]=4 13226 B12R0.49 CNC(=O)C(C)SCCCCCO 62a_100000746330_100000731044 [0,2,0,0,0,0|2,0,0]=4 13227 B12R0.49 CNC(=O)C(C)SCCCCOC 62a_100000209862_100000730899 [0,2,0,0,0,0|2,0,0]=4 13228 B12R0.49 CNC(=O)C(C)SCCCCOC 62a_100000730899_100000731044 [0,2,0,0,0,0|2,0,0]=4 13229 B12R0.49 CNC(=O)C(F)NCCCCCO 2230a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 13230 B12R0.49 CNC(=O)C(F)NCCCCCO 34a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 13231 B12R0.49 CNC(=O)C(F)OCCCCCBr 34a_100000746331_100009813575 [0,2,0,0,0,0|2,0,0]=4 13232 B12R0.49 CNC(=O)C(F)OCCCCCBr 7a_100000746331_100009813575 [0,2,0,0,0,0|2,0,0]=4 13233 B12R0.49 CNC(=O)C(F)OCCCCCCl 34a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 13234 B12R0.49 CNC(=O)C(F)OCCCCCCl 7a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 13235 B12R0.49 CNC(=O)C(F)OCCCCCI 34a_200012148887_100009813575 [0,2,0,0,0,0|2,0,0]=4 13236 B12R0.49 CNC(=O)C(F)OCCCCCI 7a_200012148887_100009813575 [0,2,0,0,0,0|2,0,0]=4 13237 B12R0.49 CNC(=O)C(F)OCCCCCN 34a_100000762737_100009813575 [0,2,0,0,0,0|2,0,0]=4 13238 B12R0.49 CNC(=O)C(F)OCCCCOC 34a_100000740925_100009813575 [0,2,0,0,0,0|2,0,0]=4 13239 B12R0.49 CNC(=O)C(F)OCCCCSC 34a_100011217163_100009813575 [0,2,0,0,0,0|2,0,0]=4 13240 B12R0.49 CNC(=O)C(F)OCCCCSC 7a_100011217163_100009813575 [0,2,0,0,0,0|2,0,0]=4 13241 B12R0.49 CNC(=O)C(F)SCCCCCF 62a_100000729378_100009813575 [0,2,0,0,0,0|2,0,0]=4 13242 B12R0.49 CNC(=O)C(F)SCCCCCF 62a_100009813575_100000729378 [0,2,0,0,0,0|2,0,0]=4 13243 B12R0.49 CNC(=O)C(F)SCCCCCO 62a_100000746330_100009813575 [0,2,0,0,0,0|2,0,0]=4 13244 B12R0.49 CNC(=O)C(F)SCCCCCO 62a_100009813575_100000746330 [0,2,0,0,0,0|2,0,0]=4 13245 B12R0.49 CNC(=O)C(F)SCCCCOC 62a_100000730899_100009813575 [0,2,0,0,0,0|2,0,0]=4 13246 B12R0.49 CNC(=O)C(F)SCCCCOC 62a_100009813575_100000730899 [0,2,0,0,0,0|2,0,0]=4 13247 B12R0.49 CNC(=O)[C@@H](C)NCCCCCF 2230a_100000684985_100000729378 [0,2,0,0,0,0|2,0,0]=4 13248 B12R0.49 CNC(=O)[C@@H](C)NCCCCCF 34a_100000684985_100000729378 [0,2,0,0,0,0|2,0,0]=4 13249 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO 2230a_100000684985_100000746330 [0,2,0,0,0,0|2,0,0]=4 13250 B12R0.49 CNC(=O)[C@@H](C)NCCCCCO 34a_100000684985_100000746330 [0,2,0,0,0,0|2,0,0]=4 13251 B12R0.49 CNC(=O)[C@@H](C)NCCCCOC 2230a_100000684985_100000730899 [0,2,0,0,0,0|2,0,0]=4 13252 B12R0.49 CNC(=O)[C@@H](C)NCCCCOC 34a_100000684985_100000755781 [0,2,0,0,0,0|2,0,0]=4 13253 B12R0.49 CNCCCOCC(C)C(=O)OC 34a_100000213112_100000698445 [0,2,0,0,0,0|2,0,0]=4 13254 B12R0.49 COC(=O)C(C)CCNCCCF 2230a_100015189416_100000034942 [0,2,0,0,0,0|2,0,0]=4 13255 B12R0.49 COC(=O)C(C)CCNCCCF 34a_100015189416_100000034942 [0,2,0,0,0,0|2,0,0]=4 13256 B12R0.49 COC(=O)C(C)CCNCCSC 2230a_100020590264_100000034942 [0,2,0,0,0,0|2,0,0]=4 13257 B12R0.49 COC(=O)C(C)CCOCCCBr 34a_100011217188_100000034942 [0,2,0,0,0,0|2,0,0]=4 13258 B12R0.49 COC(=O)C(C)CCOCCCCl 34a_100000230001_100000034942 [0,2,0,0,0,0|2,0,0]=4 13259 B12R0.49 COC(=O)C(C)CCOCCCF 34a_100000759539_100000034942 [0,2,0,0,0,0|2,0,0]=4 13260 B12R0.49 COC(=O)C(C)CCOCCCN 34a_100000182051_100000034942 [0,2,0,0,0,0|2,0,0]=4 13261 B12R0.49 COC(=O)C(C)CCOCCSC 34a_100000230434_100000034942 [0,2,0,0,0,0|2,0,0]=4 13262 B12R0.49 COC(=O)C(C)CCOCCSC 7a_100000230434_100000034942 [0,2,0,0,0,0|2,0,0]=4 13263 B12R0.49 COC(=O)C(C)CCSCCCF 62a_100000034942_100011934791 [0,2,0,0,0,0|2,0,0]=4 13264 B12R0.49 COC(=O)C(C)CCSCCCF 62a_100011934791_100000034942 [0,2,0,0,0,0|2,0,0]=4 13265 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100000034942_100011215043 [0,2,0,0,0,0|2,0,0]=4 13266 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100011215043_100000034942 [0,2,0,0,0,0|2,0,0]=4 13267 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000034942_100000751147 [0,2,0,0,0,0|2,0,0]=4 13268 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000212216_100000034942 [0,2,0,0,0,0|2,0,0]=4 13269 B12R0.49 COC(=O)C(C)CNCCCCO 34a_100000750430_100000698445 [0,2,0,0,0,0|2,0,0]=4 13270 B12R0.49 COC(=O)C(C)COCCCCBr 34a_100011216708_100000698445 [0,2,0,0,0,0|2,0,0]=4 13271 B12R0.49 COC(=O)C(C)COCCCCCl 34a_100000210776_100000698445 [0,2,0,0,0,0|2,0,0]=4 13272 B12R0.49 COC(=O)C(C)COCCCCF 34a_100000749362_100000729493 [0,2,0,0,0,0|2,0,0]=4 13273 B12R0.49 COC(=O)C(C)COCCCCF 34a_100011995726_100000698445 [0,2,0,0,0,0|2,0,0]=4 13274 B12R0.49 COC(=O)C(C)COCCCCF 7a_100000749362_100000729493 [0,2,0,0,0,0|2,0,0]=4 13275 B12R0.49 COC(=O)C(C)COCCCCI 34a_200012148704_100000698445 [0,2,0,0,0,0|2,0,0]=4 13276 B12R0.49 COC(=O)C(C)COCCCCN 34a_100000750430_100000698445 [0,2,0,0,0,0|2,0,0]=4 13277 B12R0.49 COC(=O)C(C)COCCCCO 34a_100000749362_100011216708 [0,2,0,0,0,0|2,0,0]=4 13278 B12R0.49 COC(=O)C(C)COCCCCO 7a_100000749362_100000210776 [0,2,0,0,0,0|2,0,0]=4 13279 B12R0.49 COC(=O)C(C)COCCCSC 34a_100000690336_100000698445 [0,2,0,0,0,0|2,0,0]=4 13280 B12R0.49 COC(=O)C(C)CSCCCCF 62a_100000698445_100000729493 [0,2,0,0,0,0|2,0,0]=4 13281 B12R0.49 COC(=O)C(C)CSCCCCF 62a_100000729493_100000698445 [0,2,0,0,0,0|2,0,0]=4 13282 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000210776_100000698445 [0,2,0,0,0,0|2,0,0]=4 13283 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000698445_100000210776 [0,2,0,0,0,0|2,0,0]=4 13284 B12R0.49 COC(=O)C(C)NCCCCCO 2230a_100000762737_100000211248 [0,2,0,0,0,0|2,0,0]=4 13285 B12R0.49 COC(=O)C(C)NCCCCCO 34a_100000762737_100000211248 [0,2,0,0,0,0|2,0,0]=4 13286 B12R0.49 COC(=O)C(C)OCCCCCBr 34a_100000746331_100000211248 [0,2,0,0,0,0|2,0,0]=4 13287 B12R0.49 COC(=O)C(C)OCCCCCBr 7a_100000746331_100000211248 [0,2,0,0,0,0|2,0,0]=4 13288 B12R0.49 COC(=O)C(C)OCCCCCCl 34a_100000746330_100000211248 [0,2,0,0,0,0|2,0,0]=4 13289 B12R0.49 COC(=O)C(C)OCCCCCCl 7a_100000746330_100000211248 [0,2,0,0,0,0|2,0,0]=4 13290 B12R0.49 COC(=O)C(C)OCCCCCF 34a_100011215400_100000729378 [0,2,0,0,0,0|2,0,0]=4 13291 B12R0.49 COC(=O)C(C)OCCCCCI 34a_200012148887_100000211248 [0,2,0,0,0,0|2,0,0]=4 13292 B12R0.49 COC(=O)C(C)OCCCCCI 7a_200012148887_100000211248 [0,2,0,0,0,0|2,0,0]=4 13293 B12R0.49 COC(=O)C(C)OCCCCCN 34a_100000762737_100000211248 [0,2,0,0,0,0|2,0,0]=4 13294 B12R0.49 COC(=O)C(C)OCCCCCO 34a_100011215400_100000746330 [0,2,0,0,0,0|2,0,0]=4 13295 B12R0.49 COC(=O)C(C)OCCCCSC 34a_100011217163_100000211248 [0,2,0,0,0,0|2,0,0]=4 13296 B12R0.49 COC(=O)C(C)OCCCCSC 7a_100011217163_100000211248 [0,2,0,0,0,0|2,0,0]=4 13297 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000211248_100000729378 [0,2,0,0,0,0|2,0,0]=4 13298 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000729378_100000211248 [0,2,0,0,0,0|2,0,0]=4 13299 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000211248_100000746330 [0,2,0,0,0,0|2,0,0]=4 13300 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000746330_100000211248 [0,2,0,0,0,0|2,0,0]=4 13301 B12R0.49 COC(=O)C(F)COCCCCF 34a_200009849844_100000729493 [0,2,0,0,0,0|2,0,0]=4 13302 B12R0.49 COC(=O)C(F)COCCCCO 34a_200009849844_100011216708 [0,2,0,0,0,0|2,0,0]=4 13303 B12R0.49 COC(=O)[C@H](N)COCCCCF 34a_100000003586_100000729493 [0,2,0,0,0,0|2,0,0]=4 13304 B12R0.49 COC(=O)[C@H](N)COCCCCO 34a_100000003586_100011216708 [0,2,0,0,0,0|2,0,0]=4 13305 B12R0.49 COC(C)C(=O)CCCCCC#N 1458a_100000743197_100009813376 [0,2,0,0,0,0|1,0,1]=4 13306 B12R0.49 COC(C)C(=O)CCCCCCF 1458a_100000743197_100015922095 [0,2,0,0,0,0|1,0,0]=3 13307 B12R0.49 COC(C)C(=O)CCCCCCO 1458a_100000743197_100000766143 [0,2,0,0,0,0|1,0,0]=3 13308 B12R0.49 COC(C)C(=O)NCCCCCO 240690a_100000762737_100000743197 [0,2,0,0,0,0|2,0,0]=4 13309 B12R0.49 COCCCCCC(=O)C(C)C#N 1458a_100011935119_100000703298 [0,2,0,0,0,0|1,0,0]=3 13310 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100000740925_100000211248 [0,2,0,0,0,0|2,0,0]=4 13311 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100011215400_100000755781 [0,2,0,0,0,0|2,0,0]=4 13312 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000211248_100000730899 [0,2,0,0,0,0|2,0,0]=4 13313 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000730899_100000211248 [0,2,0,0,0,0|2,0,0]=4 13314 B12R0.49 COCCCNCC(C)C(=O)OC 34a_100150723488_100000698445 [0,2,0,0,0,0|2,0,0]=4 13315 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000740835_100000698445 [0,2,0,0,0,0|2,0,0]=4 13316 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000749362_100000740836 [0,2,0,0,0,0|2,0,0]=4 13317 B12R0.49 COCCCOCC(C)C(=O)OC 7a_100000749362_100000740836 [0,2,0,0,0,0|2,0,0]=4 13318 B12R0.49 COCCCOCC(F)C(=O)OC 34a_200009849844_100000740836 [0,2,0,0,0,0|2,0,0]=4 13319 B12R0.49 COCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000740836 [0,2,0,0,0,0|2,0,0]=4 13320 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000698445_100000709357 [0,2,0,0,0,0|2,0,0]=4 13321 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000709357_100000698445 [0,2,0,0,0,0|2,0,0]=4 13322 B12R0.49 COCCNCCC(C)C(=O)OC 2230a_100000209980_100000034942 [0,2,0,0,0,0|2,0,0]=4 13323 B12R0.49 COCCOCCC(=O)C(C)C#N 1458a_100000745395_100000703298 [0,2,0,0,0,0|2,0,0]=4 13324 B12R0.49 COCCOCCC(=O)C(C)C#N 1458a_100000753662_100000695917 [0,2,0,0,0,0|2,0,0]=4 13325 B12R0.49 COCCOCCC(=O)C(C)OC 1458a_100000743197_100000695917 [0,2,0,0,0,0|2,0,0]=4 13326 B12R0.49 COCCOCCC(=O)C(C)SC 1458a_100000149566_100000695917 [0,2,0,0,0,0|2,0,0]=4 13327 B12R0.49 COCCOCCC(=O)C(O)CO 1458a_100011215603_100000695917 [0,2,0,0,0,0|2,0,0]=4 13328 B12R0.49 COCCOCCC(C)C(=O)OC 34a_100000210237_100000034942 [0,2,0,0,0,0|2,0,0]=4 13329 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000034942_100000233755 [0,2,0,0,0,0|2,0,0]=4 13330 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000233755_100000034942 [0,2,0,0,0,0|2,0,0]=4 13331 B12R0.49 CSC(C)C(=O)CCCCCC#N 1458a_100000149566_100009813376 [0,2,0,0,0,0|1,0,1]=4 13332 B12R0.49 CSC(C)C(=O)CCCCCCF 1458a_100000149566_100015922095 [0,2,0,0,0,0|1,0,0]=3 13333 B12R0.49 CSC(C)C(=O)CCCCCCO 1458a_100000149566_100000766143 [0,2,0,0,0,0|1,0,0]=3 13334 B12R0.49 CSC(C)C(=O)NCCCCCO 240690a_100000762737_100000149566 [0,2,0,0,0,0|2,0,0]=4 13335 B12R0.49 N#CCCCCCC(=O)C(O)CO 1458a_100011215603_100009813376 [0,2,0,0,0,0|1,0,1]=4 13336 B12R0.49 O=C(CCCCCCF)C(O)CO 1458a_100011215603_100015922095 [0,2,0,0,0,0|1,0,0]=3 13337 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [0,2,0,0,0,0|1,0,0]=3 13338 B12R0.49 O=C(NCCCCCO)C(O)CO 240690a_100000762737_100011215603 [0,2,0,0,0,0|2,0,0]=4 13339 B12R0.101 C#CCC(=O)CCC(C)CCCC 1458a_100000033779_100000184674 [0,2,0,0,0,0|0,0,1]=3 13340 B12R0.101 C=CCC(=O)CCC(C)CCCC 1458a_100000033779_100000210623 [0,2,0,0,0,0|0,0,1]=3 13341 B12R0.101 CCCC(=O)CCN(C)CCOC 1458a_200103286627_100000210303 [0,2,0,0,0,0|2,0,0]=4 13342 B12R0.101 CCCC(=O)COC(C)CCCCl 7a_200000718107_100000747444 [0,2,0,0,0,0|2,0,0]=4 13343 B12R0.101 CCCC(=O)COC(C)COCC 7a_100000718985_100000747444 [0,2,0,0,0,0|2,0,0]=4 13344 B12R0.101 CCCC(=O)NCC(O)COCC 240690a_102515437182_100000211992 [0,2,0,0,0,0|2,0,0]=4 13345 B12R0.101 CCCC(=O)NCC(O)COCC 527a_102515437182_100000211992 [0,2,0,0,0,0|2,0,0]=4 13346 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211992 [0,2,0,0,0,0|2,0,0]=4 13347 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211992 [0,2,0,0,0,0|2,0,0]=4 13348 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,2,0,0,0,0|0,0,1]=3 13349 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,2,0,0,0,0|0,0,1]=3 13350 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,2,0,0,0,0|1,0,1]=4 13351 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,2,0,0,0,0|1,0,1]=4 13352 B12R0.101 CCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210183 [0,2,0,0,0,0|1,0,1]=4 13353 B12R0.101 CCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210183 [0,2,0,0,0,0|1,0,1]=4 13354 B12R0.101 CCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210183 [0,2,0,0,0,0|1,0,1]=4 13355 B12R0.101 CCCCC(=O)NCC(=O)NCC 527a_100016988866_100000210183 [0,2,0,0,0,0|1,0,1]=4 13356 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,2,0,0,0,0|1,0,1]=4 13357 B12R0.101 CCCCC(C)CCC(=O)CC#N 1458a_100000033779_100011214920 [0,2,0,0,0,0|0,0,1]=3 13358 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,2,0,0,0,0|0,0,0]=2 13359 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,2,0,0,0,0|0,0,0]=2 13360 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,2,0,0,0,0|0,0,0]=2 13361 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,2,0,0,0,0|0,0,0]=2 13362 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,2,0,0,0,0|0,0,0]=2 13363 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,2,0,0,0,0|0,0,0]=2 13364 B12R0.101 CCCCC(C)CCC(=O)NNC 22a_100016993582_100000033779 [0,2,0,0,0,0|1,0,0]=3 13365 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,2,0,0,0,0|1,0,0]=3 13366 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [0,2,0,0,0,0|1,0,0]=3 13367 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [0,2,0,0,0,0|1,0,0]=3 13368 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [0,2,0,0,0,0|1,0,0]=3 13369 B12R0.101 CCCCC(C)NCC(=O)NCO 2230a_100000126638_100000185155 [0,2,0,0,0,0|2,0,0]=4 13370 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,2,0,0,0,0|1,0,0]=3 13371 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,2,0,0,0,0|1,0,0]=3 13372 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,2,0,0,0,0|1,0,0]=3 13373 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,2,0,0,0,0|1,0,0]=3 13374 B12R0.101 CCCCC(C)OCC(=O)NCO 34a_100000687866_100000185155 [0,2,0,0,0,0|2,0,0]=4 13375 B12R0.101 CCCCC(C)OCC(=O)NCO 7a_100000687866_100000185155 [0,2,0,0,0,0|2,0,0]=4 13376 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,2,0,0,0,0|1,0,0]=3 13377 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,2,0,0,0,0|1,0,0]=3 13378 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,2,0,0,0,0|1,0,0]=3 13379 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,2,0,0,0,0|1,0,0]=3 13380 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [0,2,0,0,0,0|1,0,0]=3 13381 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [0,2,0,0,0,0|1,0,0]=3 13382 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_100000185155_200011215066 [0,2,0,0,0,0|2,0,0]=4 13383 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_200011215066_100000185155 [0,2,0,0,0,0|2,0,0]=4 13384 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,2,0,0,0,0|1,0,0]=3 13385 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,2,0,0,0,0|1,0,0]=3 13386 B12R0.101 CCCCN(C)CCC(=O)NCC 2230a_100000207549_100000737597 [0,2,0,0,0,0|1,0,0]=3 13387 B12R0.101 CCCCN(C)CCC(=O)NCC 269982a_100000207549_100000737597 [0,2,0,0,0,0|1,0,0]=3 13388 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,2,0,0,0,0|1,0,0]=3 13389 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,2,0,0,0,0|1,0,0]=3 13390 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,2,0,0,0,0|1,0,0]=3 13391 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,2,0,0,0,0|1,0,0]=3 13392 B12R0.101 CCCCN(C)COC(=O)CCC 2230a_100000207549_100000034017 [0,2,0,0,0,0|2,0,0]=4 13393 B12R0.101 CCCCN(C)COC(=O)CCC 269982a_100000207549_100000034017 [0,2,0,0,0,0|2,0,0]=4 13394 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [0,2,0,0,0,0|1,0,1]=4 13395 B12R0.101 CCCNC(=O)CCC(=O)CCF 1458a_100000199543_100011217306 [0,2,0,0,0,0|1,0,1]=4 13396 B12R0.101 CCCNC(=O)CCC(=O)CCO 1458a_100000199543_100000211926 [0,2,0,0,0,0|1,0,1]=4 13397 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 13398 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 13399 B12R0.101 CCCNC(=O)CCC(=O)NCC 1626a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 13400 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 13401 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 13402 B12R0.101 CCCNC(=O)CCC(=O)NCC 527a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 13403 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 13404 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 13405 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 13406 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,2,0,0,0,0|1,0,0]=3 13407 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,2,0,0,0,0|2,0,0]=4 13408 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,2,0,0,0,0|2,0,0]=4 13409 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,2,0,0,0,0|2,0,0]=4 13410 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,2,0,0,0,0|2,0,0]=4 13411 B12R0.101 CCCOC(C)CNC(=O)CCO 240690a_100015185124_100011216618 [0,2,0,0,0,0|2,0,0]=4 13412 B12R0.101 CCCOC(C)CNC(=O)COC 11a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 13413 B12R0.101 CCCOC(C)CNC(=O)COC 1626a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 13414 B12R0.101 CCCOC(C)CNC(=O)COC 240690a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 13415 B12R0.101 CCCOC(C)CNC(=O)COC 527a_100015185124_100000210968 [0,2,0,0,0,0|2,0,0]=4 13416 B12R0.101 CCCOC(C)CNC(=O)CSC 11a_100015185124_100000184570 [0,2,0,0,0,0|2,0,0]=4 13417 B12R0.101 CCCOC(C)CNC(=O)CSC 1626a_100015185124_100000184570 [0,2,0,0,0,0|2,0,0]=4 13418 B12R0.101 CCCOC(C)CNC(=O)CSC 240690a_100015185124_100000184570 [0,2,0,0,0,0|2,0,0]=4 13419 B12R0.101 CCCOC(C)CNC(=O)CSC 527a_100015185124_100000184570 [0,2,0,0,0,0|2,0,0]=4 13420 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 13421 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 13422 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 13423 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 13424 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 13425 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 13426 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,2,0,0,0,0|1,0,0]=3 13427 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,2,0,0,0,0|1,0,0]=3 13428 B12R0.101 CCNC(=O)CCC(=O)CCCF 1458a_100000199579_100011934791 [0,2,0,0,0,0|1,0,1]=4 13429 B12R0.101 CCNC(=O)CCC(=O)CCCO 1458a_100000199579_100011215043 [0,2,0,0,0,0|1,0,1]=4 13430 B12R0.101 CCNC(=O)CCC(=O)CCOC 1458a_100000199579_100000233755 [0,2,0,0,0,0|1,0,1]=4 13431 B12R0.101 CCNC(=O)CCC(=O)CCSC 1458a_100000199579_100000751147 [0,2,0,0,0,0|1,0,1]=4 13432 B12R0.101 CCNC(=O)CCN(C)CCCO 2230a_100000213112_100000737597 [0,2,0,0,0,0|2,0,0]=4 13433 B12R0.101 CCNC(=O)CCN(C)CCCO 269982a_100000213112_100000737597 [0,2,0,0,0,0|2,0,0]=4 13434 B12R0.101 CCNC(=O)CCN(C)CCOC 2230a_100000743101_100000737597 [0,2,0,0,0,0|2,0,0]=4 13435 B12R0.101 CCNC(=O)CCN(C)CCOC 240690a_100015525214_200103286627 [0,2,0,0,0,0|2,0,0]=4 13436 B12R0.101 CCNC(=O)CCN(C)CCOC 269982a_100000743101_100000737597 [0,2,0,0,0,0|2,0,0]=4 13437 B12R0.101 CCNC(=O)CCN(C)CCSC 2230a_100000686725_100000737597 [0,2,0,0,0,0|2,0,0]=4 13438 B12R0.101 CCNC(=O)CCN(C)CCSC 269982a_100000686725_100000737597 [0,2,0,0,0,0|2,0,0]=4 13439 B12R0.101 CCNC(=O)CNC(C)CCOC 270004a_100016988866_100000742357 [0,2,0,0,0,0|2,0,0]=4 13440 B12R0.101 CCNC(=O)CNC(C)CCSC 270004a_100016988866_100011217047 [0,2,0,0,0,0|2,0,0]=4 13441 B12R0.101 CCNC(=O)CNC(C)CSCC 270004a_100016988866_200011216171 [0,2,0,0,0,0|2,0,0]=4 13442 B12R0.101 CCNC(=O)COC(C)CCCCl 34a_200000718107_100000183381 [0,2,0,0,0,0|2,0,0]=4 13443 B12R0.101 CCNC(=O)COC(C)CCCCl 7a_200000718107_100000183381 [0,2,0,0,0,0|2,0,0]=4 13444 B12R0.101 CCNC(=O)COC(C)COCC 34a_100000718985_100000183381 [0,2,0,0,0,0|2,0,0]=4 13445 B12R0.101 CCNC(=O)COC(C)COCC 7a_100000718985_100000183381 [0,2,0,0,0,0|2,0,0]=4 13446 B12R0.101 CCNC(=O)NCC(O)COCC 2708a_100015525214_102515437182 [0,2,0,0,0,0|2,0,0]=4 13447 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_100015525214_102515437182 [0,2,0,0,0,0|2,0,0]=4 13448 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_102515437182_100015525214 [0,2,0,0,0,0|2,0,0]=4 13449 B12R0.101 CCNC(=O)NCC(O)COCC 512a_102515437182_100015525214 [0,2,0,0,0,0|2,0,0]=4 13450 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 2708a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 13451 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 13452 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100015525214 [0,2,0,0,0,0|2,0,0]=4 13453 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 13454 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100160569302_100015525214 [0,2,0,0,0,0|2,0,0]=4 13455 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [0,2,0,0,0,0|1,0,1]=4 13456 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [0,2,0,0,0,0|1,0,1]=4 13457 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [0,2,0,0,0,0|1,0,1]=4 13458 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [0,2,0,0,0,0|1,0,1]=4 13459 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [0,2,0,0,0,0|2,0,0]=4 13460 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [0,2,0,0,0,0|2,0,0]=4 13461 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [0,2,0,0,0,0|2,0,0]=4 13462 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [0,2,0,0,0,0|2,0,0]=4 13463 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [0,2,0,0,0,0|2,0,0]=4 13464 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [0,2,0,0,0,0|2,0,0]=4 13465 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [0,2,0,0,0,0|2,0,0]=4 13466 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [0,2,0,0,0,0|2,0,0]=4 13467 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [0,2,0,0,0,0|2,0,0]=4 13468 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000748298_100000766300 [0,2,0,0,0,0|2,0,0]=4 13469 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000766300_100000748298 [0,2,0,0,0,0|2,0,0]=4 13470 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100000748298_100011218213 [0,2,0,0,0,0|2,0,0]=4 13471 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100011218213_100000748298 [0,2,0,0,0,0|2,0,0]=4 13472 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [0,2,0,0,0,0|2,0,0]=4 13473 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [0,2,0,0,0,0|2,0,0]=4 13474 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [0,2,0,0,0,0|2,0,0]=4 13475 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [0,2,0,0,0,0|2,0,0]=4 13476 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [0,2,0,0,0,0|2,0,0]=4 13477 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [0,2,0,0,0,0|2,0,0]=4 13478 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [0,2,0,0,0,0|2,0,0]=4 13479 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [0,2,0,0,0,0|2,0,0]=4 13480 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [0,2,0,0,0,0|2,0,0]=4 13481 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [0,2,0,0,0,0|2,0,0]=4 13482 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [0,2,0,0,0,0|2,0,0]=4 13483 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [0,2,0,0,0,0|2,0,0]=4 13484 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [0,2,0,0,0,0|2,0,0]=4 13485 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [0,2,0,0,0,0|2,0,0]=4 13486 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,2,0,0,0,0|2,0,0]=4 13487 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,2,0,0,0,0|2,0,0]=4 13488 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,2,0,0,0,0|2,0,0]=4 13489 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,2,0,0,0,0|2,0,0]=4 13490 B12R0.101 CCOCC(O)CNC(=O)CCO 240690a_102515437182_100011216618 [0,2,0,0,0,0|2,0,0]=4 13491 B12R0.101 CCOCC(O)CNC(=O)COC 240690a_102515437182_100000210968 [0,2,0,0,0,0|2,0,0]=4 13492 B12R0.101 CCOCC(O)CNC(=O)COC 527a_102515437182_100000210968 [0,2,0,0,0,0|2,0,0]=4 13493 B12R0.101 CCOCC(O)CNC(=O)CSC 240690a_102515437182_100000184570 [0,2,0,0,0,0|2,0,0]=4 13494 B12R0.101 CCOCC(O)CNC(=O)CSC 527a_102515437182_100000184570 [0,2,0,0,0,0|2,0,0]=4 13495 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [0,2,0,0,0,0|2,0,0]=4 13496 B12R0.101 COCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210968 [0,2,0,0,0,0|2,0,0]=4 13497 B12R0.101 COCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210968 [0,2,0,0,0,0|2,0,0]=4 13498 B12R0.101 COCCN(C)CCC(=O)CCF 1458a_200103286627_100011217306 [0,2,0,0,0,0|2,0,0]=4 13499 B12R0.101 COCCN(C)CCC(=O)CCO 1458a_200103286627_100000211926 [0,2,0,0,0,0|2,0,0]=4 13500 B12R0.101 CSCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000184570 [0,2,0,0,0,0|2,0,0]=4 13501 B12R0.101 CSCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000184570 [0,2,0,0,0,0|2,0,0]=4 13502 B12R0.101 C[C@H](CCCO)CNC(=O)CCO 240690a_100160569302_100011216618 [0,2,0,0,0,0|2,0,0]=4 13503 B12R0.114 C#CCC(=O)C(C)CCCCCC 1458a_100011220946_100011215978 [0,2,0,0,0,0|0,0,1]=3 13504 B12R0.114 C#CCC(=O)C(O)CCCCCC 1458a_100011215828_100000184674 [0,2,0,0,0,0|0,0,1]=3 13505 B12R0.114 C#CCC(=O)N(C)CCCCCC 1626a_106256046315_100011220946 [0,2,0,0,0,0|1,0,1]=4 13506 B12R0.114 C#CCC(=O)N(C)CCCCCC 527a_106256046315_100011220946 [0,2,0,0,0,0|1,0,1]=4 13507 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [0,2,0,0,0,0|1,0,1]=4 13508 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [0,2,0,0,0,0|1,0,1]=4 13509 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [0,2,0,0,0,0|1,0,1]=4 13510 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [0,2,0,0,0,0|1,0,1]=4 13511 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [0,2,0,0,0,0|1,0,1]=4 13512 B12R0.114 C=CCC(=O)C(C)CCCCCC 1458a_100000210193_100011215978 [0,2,0,0,0,0|0,0,1]=3 13513 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,2,0,0,0,0|0,0,1]=3 13514 B12R0.114 C=CCC(=O)N(C)CCCCCC 11a_106256046315_100000210193 [0,2,0,0,0,0|1,0,1]=4 13515 B12R0.114 C=CCC(=O)N(C)CCCCCC 1626a_106256046315_100000210193 [0,2,0,0,0,0|1,0,1]=4 13516 B12R0.114 C=CCC(=O)N(C)CCCCCC 240690a_106256046315_100000210193 [0,2,0,0,0,0|1,0,1]=4 13517 B12R0.114 C=CCC(=O)N(C)CCCCCC 527a_106256046315_100000210193 [0,2,0,0,0,0|1,0,1]=4 13518 B12R0.114 CC#CC(=O)C(C)CCCCCC 1458a_100000763181_100011215978 [0,2,0,0,0,0|0,0,1]=3 13519 B12R0.114 CC/C=C(\C)/C(=O)CCCCCC 1458a_100016988807_100000210757 [0,2,0,0,0,0|1,0,1]=4 13520 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [0,2,0,0,0,0|0,0,1]=3 13521 B12R0.114 CC=CC(=O)N(C)CCCCCC 11a_106256046315_100000210699 [0,2,0,0,0,0|1,0,1]=4 13522 B12R0.114 CC=CC(=O)N(C)CCCCCC 1626a_106256046315_100000210699 [0,2,0,0,0,0|1,0,1]=4 13523 B12R0.114 CC=CC(=O)N(C)CCCCCC 240690a_106256046315_100000210699 [0,2,0,0,0,0|1,0,1]=4 13524 B12R0.114 CCCC(=O)C(C)OCCOCC 1458a_100000743585_100000210303 [0,2,0,0,0,0|2,0,0]=4 13525 B12R0.114 CCCC(=O)N(C)CCCCCO 240690a_100000722520_100000211992 [0,2,0,0,0,0|2,0,0]=4 13526 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,2,0,0,0,0|0,0,1]=3 13527 B12R0.114 CCCCCCC(C)C(=O)C=CBr 1458a_100016273825_100011215978 [0,2,0,0,0,0|0,0,2]=4 13528 B12R0.114 CCCCCCC(C)C(=O)C=CCl 1458a_200016279998_100011215978 [0,2,0,0,0,0|0,0,2]=4 13529 B12R0.114 CCCCCCC(C)C(=O)C=CI 1458a_100016256311_100011215978 [0,2,0,0,0,0|0,0,2]=4 13530 B12R0.114 CCCCCCC(C)C(=O)CC#N 1458a_100051588842_100011215978 [0,2,0,0,0,0|0,0,1]=3 13531 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,2,0,0,0,0|0,0,0]=2 13532 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,2,0,0,0,0|0,0,0]=2 13533 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,2,0,0,0,0|0,0,0]=2 13534 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [0,2,0,0,0,0|0,0,0]=2 13535 B12R0.114 CCCCCCC(C)N(C)CCC 2230a_100000747261_100011215978 [0,2,0,0,0,0|2,0,0]=4 13536 B12R0.114 CCCCCCC(C)N(C)CCC 269982a_100000747261_100011215978 [0,2,0,0,0,0|2,0,0]=4 13537 B12R0.114 CCCCCCC(C)N(C)CCC 270004a_100000747261_100000210826 [0,2,0,0,0,0|2,0,0]=4 13538 B12R0.114 CCCCCCC(C)N(C)CCO 2230a_100000210263_100011215978 [0,2,0,0,0,0|2,0,0]=4 13539 B12R0.114 CCCCCCC(C)N(C)CCO 269982a_100000210263_100011215978 [0,2,0,0,0,0|2,0,0]=4 13540 B12R0.114 CCCCCCC(C)N(C)CCO 270004a_100000210263_100000210826 [0,2,0,0,0,0|2,0,0]=4 13541 B12R0.114 CCCCCCC(O)C(=O)CC#N 1458a_100011215828_100011214920 [0,2,0,0,0,0|0,0,1]=3 13542 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,2,0,0,0,0|0,0,0]=2 13543 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,2,0,0,0,0|0,0,0]=2 13544 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,2,0,0,0,0|0,0,0]=2 13545 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,2,0,0,0,0|0,0,0]=2 13546 B12R0.114 CCCCCCC(O)C(=O)NNC 22a_100016993582_100011215828 [0,2,0,0,0,0|1,0,0]=3 13547 B12R0.114 CCCCCCN(C)C(=O)CC#N 1626a_106256046315_100051588842 [0,2,0,0,0,0|1,0,1]=4 13548 B12R0.114 CCCCCCN(C)C(=O)CC#N 240690a_106256046315_100051588842 [0,2,0,0,0,0|1,0,1]=4 13549 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 13550 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 13551 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 13552 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 13553 B12R0.114 CCCCCCN(C)C(=O)CCO 240690a_106256046315_100011216618 [0,2,0,0,0,0|1,0,0]=3 13554 B12R0.114 CCCCCCN(C)C(=O)COC 11a_106256046315_100000210968 [0,2,0,0,0,0|1,0,0]=3 13555 B12R0.114 CCCCCCN(C)C(=O)COC 1626a_106256046315_100000210968 [0,2,0,0,0,0|1,0,0]=3 13556 B12R0.114 CCCCCCN(C)C(=O)COC 240690a_106256046315_100000210968 [0,2,0,0,0,0|1,0,0]=3 13557 B12R0.114 CCCCCCN(C)C(=O)COC 527a_106256046315_100000210968 [0,2,0,0,0,0|1,0,0]=3 13558 B12R0.114 CCCCCCN(C)C(=O)CSC 11a_106256046315_100000184570 [0,2,0,0,0,0|1,0,0]=3 13559 B12R0.114 CCCCCCN(C)C(=O)CSC 1626a_106256046315_100000184570 [0,2,0,0,0,0|1,0,0]=3 13560 B12R0.114 CCCCCCN(C)C(=O)CSC 240690a_106256046315_100000184570 [0,2,0,0,0,0|1,0,0]=3 13561 B12R0.114 CCCCCCN(C)C(=O)CSC 527a_106256046315_100000184570 [0,2,0,0,0,0|1,0,0]=3 13562 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [0,2,0,0,0,0|1,0,0]=3 13563 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [0,2,0,0,0,0|1,0,0]=3 13564 B12R0.114 CCCCCNC(=O)C(=O)NCC 1626a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 13565 B12R0.114 CCCCCNC(=O)C(=O)NCC 240690a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 13566 B12R0.114 CCCCCNC(=O)C(=O)NCC 527a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 13567 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 13568 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 13569 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [0,2,0,0,0,0|1,0,1]=4 13570 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [0,2,0,0,0,0|1,0,0]=3 13571 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [0,2,0,0,0,0|1,0,0]=3 13572 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [0,2,0,0,0,0|1,0,0]=3 13573 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [0,2,0,0,0,0|1,0,0]=3 13574 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [0,2,0,0,0,0|1,0,0]=3 13575 B12R0.114 CCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210326 [0,2,0,0,0,0|1,0,0]=3 13576 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [0,2,0,0,0,0|1,0,0]=3 13577 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [0,2,0,0,0,0|1,0,0]=3 13578 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [0,2,0,0,0,0|1,0,0]=3 13579 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [0,2,0,0,0,0|1,0,0]=3 13580 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [0,2,0,0,0,0|1,0,0]=3 13581 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [0,2,0,0,0,0|1,0,0]=3 13582 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [0,2,0,0,0,0|1,0,0]=3 13583 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [0,2,0,0,0,0|1,0,0]=3 13584 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [0,2,0,0,0,0|1,0,0]=3 13585 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [0,2,0,0,0,0|1,0,0]=3 13586 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [0,2,0,0,0,0|1,0,0]=3 13587 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [0,2,0,0,0,0|1,0,0]=3 13588 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [0,2,0,0,0,0|1,0,0]=3 13589 B12R0.114 CCCCOCC(=O)C(=O)NCC 1458a_200011297158_100011995733 [0,2,0,0,0,0|1,0,1]=4 13590 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [0,2,0,0,0,0|1,0,1]=4 13591 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [0,2,0,0,0,0|1,0,1]=4 13592 B12R0.114 CCCOCCC(=O)C(=O)NCC 1458a_200011297158_100011215938 [0,2,0,0,0,0|1,0,1]=4 13593 B12R0.114 CCNC(=O)C(=O)CCCCCF 1458a_200011297158_100000729378 [0,2,0,0,0,0|1,0,1]=4 13594 B12R0.114 CCNC(=O)C(=O)CCCCCO 1458a_200011297158_100000746330 [0,2,0,0,0,0|1,0,1]=4 13595 B12R0.114 CCNC(=O)C(=O)CCCCOC 1458a_200011297158_100000755781 [0,2,0,0,0,0|1,0,1]=4 13596 B12R0.114 CCNC(=O)C(=O)CCCOCC 1458a_200011297158_100012232248 [0,2,0,0,0,0|1,0,1]=4 13597 B12R0.114 CCNC(=O)C(C)NCCCCF 2230a_100000736553_100000729493 [0,2,0,0,0,0|2,0,0]=4 13598 B12R0.114 CCNC(=O)C(C)NCCCCF 34a_100000736553_100000729493 [0,2,0,0,0,0|2,0,0]=4 13599 B12R0.114 CCNC(=O)C(C)NCCCCO 2230a_100000736553_100000210776 [0,2,0,0,0,0|2,0,0]=4 13600 B12R0.114 CCNC(=O)C(C)NCCCCO 2230a_100000750430_100000230173 [0,2,0,0,0,0|2,0,0]=4 13601 B12R0.114 CCNC(=O)C(C)NCCCCO 34a_100000736553_100011216708 [0,2,0,0,0,0|2,0,0]=4 13602 B12R0.114 CCNC(=O)C(C)NCCCCO 34a_100000750430_100000230173 [0,2,0,0,0,0|2,0,0]=4 13603 B12R0.114 CCNC(=O)C(C)NCCCOC 2230a_100000736553_100000740836 [0,2,0,0,0,0|2,0,0]=4 13604 B12R0.114 CCNC(=O)C(C)NCCCOC 34a_100000736553_100000740836 [0,2,0,0,0,0|2,0,0]=4 13605 B12R0.114 CCNC(=O)C(C)NCCCOC 34a_100150723488_100000230173 [0,2,0,0,0,0|2,0,0]=4 13606 B12R0.114 CCNC(=O)C(C)NCCCSC 2230a_100000749238_100000230173 [0,2,0,0,0,0|2,0,0]=4 13607 B12R0.114 CCNC(=O)C(C)NCCOCC 2230a_100000736553_100011215890 [0,2,0,0,0,0|2,0,0]=4 13608 B12R0.114 CCNC(=O)C(C)NCCOCC 2230a_102516460346_100000230173 [0,2,0,0,0,0|2,0,0]=4 13609 B12R0.114 CCNC(=O)C(C)NCCOCC 34a_100000736553_100000210147 [0,2,0,0,0,0|2,0,0]=4 13610 B12R0.114 CCNC(=O)C(C)NCCOCC 34a_102516460346_100000230173 [0,2,0,0,0,0|2,0,0]=4 13611 B12R0.114 CCNC(=O)C(C)NCCSCC 2230a_100000106463_100000230173 [0,2,0,0,0,0|2,0,0]=4 13612 B12R0.114 CCNC(=O)C(C)NCCSCC 2230a_100000736553_100000757381 [0,2,0,0,0,0|2,0,0]=4 13613 B12R0.114 CCNC(=O)C(C)NCCSCC 34a_100000736553_100000757381 [0,2,0,0,0,0|2,0,0]=4 13614 B12R0.114 CCNC(=O)C(C)OCCCCBr 34a_100011216708_100000230173 [0,2,0,0,0,0|2,0,0]=4 13615 B12R0.114 CCNC(=O)C(C)OCCCCCl 34a_100000210776_100000230173 [0,2,0,0,0,0|2,0,0]=4 13616 B12R0.114 CCNC(=O)C(C)OCCCCCl 7a_100000210776_100000230173 [0,2,0,0,0,0|2,0,0]=4 13617 B12R0.114 CCNC(=O)C(C)OCCCCF 34a_100011995726_100000230173 [0,2,0,0,0,0|2,0,0]=4 13618 B12R0.114 CCNC(=O)C(C)OCCCCF 7a_100011995726_100000230173 [0,2,0,0,0,0|2,0,0]=4 13619 B12R0.114 CCNC(=O)C(C)OCCCCI 34a_200012148704_100000230173 [0,2,0,0,0,0|2,0,0]=4 13620 B12R0.114 CCNC(=O)C(C)OCCCCN 34a_100000750430_100000230173 [0,2,0,0,0,0|2,0,0]=4 13621 B12R0.114 CCNC(=O)C(C)OCCCNC 34a_100000213112_100000230173 [0,2,0,0,0,0|2,0,0]=4 13622 B12R0.114 CCNC(=O)C(C)OCCCOC 34a_100000740835_100000230173 [0,2,0,0,0,0|2,0,0]=4 13623 B12R0.114 CCNC(=O)C(C)OCCCSC 34a_100000690336_100000230173 [0,2,0,0,0,0|2,0,0]=4 13624 B12R0.114 CCNC(=O)C(C)OCCCSC 7a_100000690336_100000230173 [0,2,0,0,0,0|2,0,0]=4 13625 B12R0.114 CCNC(=O)C(C)OCCOCC 11a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 13626 B12R0.114 CCNC(=O)C(C)OCCOCC 240690a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 13627 B12R0.114 CCNC(=O)C(C)OCCOCC 34a_100000210136_100000230173 [0,2,0,0,0,0|2,0,0]=4 13628 B12R0.114 CCNC(=O)C(C)OCCOCC 527a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 13629 B12R0.114 CCNC(=O)C(C)OCCOCC 7a_100000210136_100000230173 [0,2,0,0,0,0|2,0,0]=4 13630 B12R0.114 CCNC(=O)C(C)OCCSCC 34a_100000212035_100000230173 [0,2,0,0,0,0|2,0,0]=4 13631 B12R0.114 CCNC(=O)C(C)OCCSCC 7a_100000212035_100000230173 [0,2,0,0,0,0|2,0,0]=4 13632 B12R0.114 CCNC(=O)C(C)SCCCCF 62a_100000230173_100000729493 [0,2,0,0,0,0|2,0,0]=4 13633 B12R0.114 CCNC(=O)C(C)SCCCCF 62a_100000729493_100000230173 [0,2,0,0,0,0|2,0,0]=4 13634 B12R0.114 CCNC(=O)C(C)SCCCCO 62a_100000210776_100000230173 [0,2,0,0,0,0|2,0,0]=4 13635 B12R0.114 CCNC(=O)C(C)SCCCCO 62a_100000230173_100000210776 [0,2,0,0,0,0|2,0,0]=4 13636 B12R0.114 CCNC(=O)C(C)SCCCOC 62a_100000230173_100000709357 [0,2,0,0,0,0|2,0,0]=4 13637 B12R0.114 CCNC(=O)C(C)SCCCOC 62a_100000709357_100000230173 [0,2,0,0,0,0|2,0,0]=4 13638 B12R0.114 CCNC(=O)C(C)SCCOCC 62a_100000210147_100000230173 [0,2,0,0,0,0|2,0,0]=4 13639 B12R0.114 CCNC(=O)C(C)SCCOCC 62a_100000230173_100011215890 [0,2,0,0,0,0|2,0,0]=4 13640 B12R0.114 CCNC(=O)C(C)SCCSCC 62a_100000230173_100000757381 [0,2,0,0,0,0|2,0,0]=4 13641 B12R0.114 CCNC(=O)C(C)SCCSCC 62a_100000757381_100000230173 [0,2,0,0,0,0|2,0,0]=4 13642 B12R0.114 CCNC(=O)N(C)CCCCCO 2708a_100015525214_100000722520 [0,2,0,0,0,0|2,0,0]=4 13643 B12R0.114 CCNC(=O)N(C)CCCCCO 273464a_100015525214_100000722520 [0,2,0,0,0,0|2,0,0]=4 13644 B12R0.114 CCOC(=O)C(C)NCCCCO 2230a_100000750430_100011215307 [0,2,0,0,0,0|2,0,0]=4 13645 B12R0.114 CCOC(=O)C(C)NCCCCO 34a_100000750430_100011216346 [0,2,0,0,0,0|2,0,0]=4 13646 B12R0.114 CCOC(=O)C(C)NCCCOC 34a_100150723488_100011216346 [0,2,0,0,0,0|2,0,0]=4 13647 B12R0.114 CCOC(=O)C(C)NCCCSC 2230a_100000749238_100011215307 [0,2,0,0,0,0|2,0,0]=4 13648 B12R0.114 CCOC(=O)C(C)NCCSCC 2230a_100000106463_100011215307 [0,2,0,0,0,0|2,0,0]=4 13649 B12R0.114 CCOC(=O)C(C)OCCCCBr 34a_100011216708_100011216346 [0,2,0,0,0,0|2,0,0]=4 13650 B12R0.114 CCOC(=O)C(C)OCCCCCl 34a_100000210776_100011216346 [0,2,0,0,0,0|2,0,0]=4 13651 B12R0.114 CCOC(=O)C(C)OCCCCCl 7a_100000210776_100011216346 [0,2,0,0,0,0|2,0,0]=4 13652 B12R0.114 CCOC(=O)C(C)OCCCCF 34a_100011995726_100011216346 [0,2,0,0,0,0|2,0,0]=4 13653 B12R0.114 CCOC(=O)C(C)OCCCCF 7a_100011995726_100011216346 [0,2,0,0,0,0|2,0,0]=4 13654 B12R0.114 CCOC(=O)C(C)OCCCCI 34a_200012148704_100011216346 [0,2,0,0,0,0|2,0,0]=4 13655 B12R0.114 CCOC(=O)C(C)OCCCCN 34a_100000750430_100011216346 [0,2,0,0,0,0|2,0,0]=4 13656 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [0,2,0,0,0,0|2,0,0]=4 13657 B12R0.114 CCOC(=O)C(C)OCCCOC 34a_100000740835_100011216346 [0,2,0,0,0,0|2,0,0]=4 13658 B12R0.114 CCOC(=O)C(C)OCCCSC 34a_100000690336_100011216346 [0,2,0,0,0,0|2,0,0]=4 13659 B12R0.114 CCOC(=O)C(C)OCCCSC 7a_100000690336_100011216346 [0,2,0,0,0,0|2,0,0]=4 13660 B12R0.114 CCOC(=O)C(C)OCCSCC 34a_100000212035_100011216346 [0,2,0,0,0,0|2,0,0]=4 13661 B12R0.114 CCOC(=O)C(C)OCCSCC 7a_100000212035_100011216346 [0,2,0,0,0,0|2,0,0]=4 13662 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100000729493_100011216346 [0,2,0,0,0,0|2,0,0]=4 13663 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100011216346_100000729493 [0,2,0,0,0,0|2,0,0]=4 13664 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100000210776_100011216346 [0,2,0,0,0,0|2,0,0]=4 13665 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100011216346_100000210776 [0,2,0,0,0,0|2,0,0]=4 13666 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100000709357_100011216346 [0,2,0,0,0,0|2,0,0]=4 13667 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100011216346_100000709357 [0,2,0,0,0,0|2,0,0]=4 13668 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100000757381_100011216346 [0,2,0,0,0,0|2,0,0]=4 13669 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100011216346_100000757381 [0,2,0,0,0,0|2,0,0]=4 13670 B12R0.114 CCOC(=O)C(F)NCCCCO 2230a_100000750430_100000760018 [0,2,0,0,0,0|2,0,0]=4 13671 B12R0.114 CCOC(=O)C(F)NCCCCO 34a_100000750430_100000760018 [0,2,0,0,0,0|2,0,0]=4 13672 B12R0.114 CCOC(=O)C(F)NCCCOC 34a_100150723488_100000760018 [0,2,0,0,0,0|2,0,0]=4 13673 B12R0.114 CCOC(=O)C(F)NCCCSC 2230a_100000749238_100000760018 [0,2,0,0,0,0|2,0,0]=4 13674 B12R0.114 CCOC(=O)C(F)NCCSCC 2230a_100000106463_100000760018 [0,2,0,0,0,0|2,0,0]=4 13675 B12R0.114 CCOC(=O)C(F)OCCCCBr 34a_100011216708_100000760018 [0,2,0,0,0,0|2,0,0]=4 13676 B12R0.114 CCOC(=O)C(F)OCCCCCl 34a_100000210776_100000760018 [0,2,0,0,0,0|2,0,0]=4 13677 B12R0.114 CCOC(=O)C(F)OCCCCCl 7a_100000210776_100000040065 [0,2,0,0,0,0|2,0,0]=4 13678 B12R0.114 CCOC(=O)C(F)OCCCCF 34a_100011995726_100000760018 [0,2,0,0,0,0|2,0,0]=4 13679 B12R0.114 CCOC(=O)C(F)OCCCCF 7a_100011995726_100000040065 [0,2,0,0,0,0|2,0,0]=4 13680 B12R0.114 CCOC(=O)C(F)OCCCCI 34a_200012148704_100000760018 [0,2,0,0,0,0|2,0,0]=4 13681 B12R0.114 CCOC(=O)C(F)OCCCCN 34a_100000750430_100000760018 [0,2,0,0,0,0|2,0,0]=4 13682 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 13683 B12R0.114 CCOC(=O)C(F)OCCCOC 34a_100000740835_100000760018 [0,2,0,0,0,0|2,0,0]=4 13684 B12R0.114 CCOC(=O)C(F)OCCCSC 34a_100000690336_100000760018 [0,2,0,0,0,0|2,0,0]=4 13685 B12R0.114 CCOC(=O)C(F)OCCCSC 7a_100000690336_100000040065 [0,2,0,0,0,0|2,0,0]=4 13686 B12R0.114 CCOC(=O)C(F)OCCSCC 34a_100000212035_100000760018 [0,2,0,0,0,0|2,0,0]=4 13687 B12R0.114 CCOC(=O)C(F)OCCSCC 7a_100000212035_100000040065 [0,2,0,0,0,0|2,0,0]=4 13688 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000729493_100000760018 [0,2,0,0,0,0|2,0,0]=4 13689 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000760018_100000729493 [0,2,0,0,0,0|2,0,0]=4 13690 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000210776_100000760018 [0,2,0,0,0,0|2,0,0]=4 13691 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000760018_100000210776 [0,2,0,0,0,0|2,0,0]=4 13692 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000709357_100000760018 [0,2,0,0,0,0|2,0,0]=4 13693 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000760018_100000709357 [0,2,0,0,0,0|2,0,0]=4 13694 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000757381_100000760018 [0,2,0,0,0,0|2,0,0]=4 13695 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000760018_100000757381 [0,2,0,0,0,0|2,0,0]=4 13696 B12R0.114 CCOC(=O)[C@H](C)OCCCCF 7a_100000751109_100000729493 [0,2,0,0,0,0|2,0,0]=4 13697 B12R0.114 CCOC(=O)[C@H](C)OCCCCO 7a_100000751109_100000210776 [0,2,0,0,0,0|2,0,0]=4 13698 B12R0.114 CCOC(=O)[C@H](C)OCCCOC 7a_100000751109_100000740836 [0,2,0,0,0,0|2,0,0]=4 13699 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7a_100000751109_100000757381 [0,2,0,0,0,0|2,0,0]=4 13700 B12R0.114 CCOCCNC(C)C(=O)OCC 2230a_102516460346_100011215307 [0,2,0,0,0,0|2,0,0]=4 13701 B12R0.114 CCOCCNC(C)C(=O)OCC 34a_102516460346_100011216346 [0,2,0,0,0,0|2,0,0]=4 13702 B12R0.114 CCOCCNC(F)C(=O)OCC 2230a_102516460346_100000760018 [0,2,0,0,0,0|2,0,0]=4 13703 B12R0.114 CCOCCNC(F)C(=O)OCC 34a_102516460346_100000760018 [0,2,0,0,0,0|2,0,0]=4 13704 B12R0.114 CCOCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011215890 [0,2,0,0,0,0|2,0,0]=4 13705 B12R0.114 CCOCCOC(C)C(=O)CCF 1458a_100000743585_100011217306 [0,2,0,0,0,0|2,0,0]=4 13706 B12R0.114 CCOCCOC(C)C(=O)CCO 1458a_100000743585_100000211926 [0,2,0,0,0,0|2,0,0]=4 13707 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [0,2,0,0,0,0|2,0,0]=4 13708 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [0,2,0,0,0,0|2,0,0]=4 13709 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [0,2,0,0,0,0|2,0,0]=4 13710 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [0,2,0,0,0,0|2,0,0]=4 13711 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [0,2,0,0,0,0|2,0,0]=4 13712 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100000210147_100011216346 [0,2,0,0,0,0|2,0,0]=4 13713 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100011216346_100011215890 [0,2,0,0,0,0|2,0,0]=4 13714 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000210147_100000760018 [0,2,0,0,0,0|2,0,0]=4 13715 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000760018_100011215890 [0,2,0,0,0,0|2,0,0]=4 13716 B12R0.114 CCSC(=O)[C@H](C)NCCCCF 2230a_100103168634_100000729493 [0,2,0,0,0,0|2,0,0]=4 13717 B12R0.114 CCSC(=O)[C@H](C)NCCCCO 2230a_100103168634_100000210776 [0,2,0,0,0,0|2,0,0]=4 13718 B12R0.114 CCSC(=O)[C@H](C)NCCCOC 2230a_100103168634_100000740836 [0,2,0,0,0,0|2,0,0]=4 13719 B12R0.114 CCSCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000757381 [0,2,0,0,0,0|2,0,0]=4 13720 B12R0.114 CN(CCCCCO)C(=O)CCO 240690a_100000722520_100011216618 [0,2,0,0,0,0|2,0,0]=4 13721 B12R0.114 COCC(=O)N(C)CCCCCO 240690a_100000722520_100000210968 [0,2,0,0,0,0|2,0,0]=4 13722 B12R0.114 CSCC(=O)N(C)CCCCCO 240690a_100000722520_100000184570 [0,2,0,0,0,0|2,0,0]=4 13723 B12R0.121 C#CCN(CC)CCCCCCC 2230a_100000228213_100000038162 [0,2,0,0,0,0|2,0,0]=4 13724 B12R0.121 C#CCN(CC)CCCCCCC 2230a_100000744766_100000210681 [0,2,0,0,0,0|2,0,0]=4 13725 B12R0.121 C#CCN(CC)CCCCCCC 269982a_100000744766_100000210681 [0,2,0,0,0,0|2,0,0]=4 13726 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [0,2,0,0,0,0|1,0,1]=4 13727 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [0,2,0,0,0,0|1,0,1]=4 13728 B12R0.121 C=CCN(CC)CCCCCCC 2230a_100000228213_100000210623 [0,2,0,0,0,0|2,0,0]=4 13729 B12R0.121 C=CCN(CC)CCCCCCC 269982a_100000228213_100000210623 [0,2,0,0,0,0|2,0,0]=4 13730 B12R0.121 CCCCCCCC(CC)NCC 270004a_100015525214_200011217162 [0,2,0,0,0,0|1,0,1]=4 13731 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,2,0,0,0,0|0,0,2]=4 13732 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,2,0,0,0,0|0,0,2]=4 13733 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [0,2,0,0,0,0|0,0,2]=4 13734 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [0,2,0,0,0,0|0,0,2]=4 13735 B12R0.121 CCCCCCCC(CCC)NC 270004a_106832991635_200011216337 [0,2,0,0,0,0|1,0,1]=4 13736 B12R0.121 CCCCCCCN(CC)CC#N 2230a_100000228213_100011215382 [0,2,0,0,0,0|2,0,0]=4 13737 B12R0.121 CCCCCCCN(CC)CC#N 269982a_100000228213_100011214920 [0,2,0,0,0,0|2,0,0]=4 13738 B12R0.121 CCCCCCCN(CC)CC=O 2230a_100000228213_200015260668 [0,2,0,0,0,0|1,0,0]=3 13739 B12R0.121 CCCCCCCN(CC)CC=O 269982a_100000228213_200015260668 [0,2,0,0,0,0|1,0,0]=3 13740 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000226822_100000210681 [0,2,0,0,0,0|2,0,0]=4 13741 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000228213_100000210303 [0,2,0,0,0,0|2,0,0]=4 13742 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000226822_100000210681 [0,2,0,0,0,0|2,0,0]=4 13743 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000228213_100000210303 [0,2,0,0,0,0|2,0,0]=4 13744 B12R0.121 CCCCCCCN(CC)CCF 2230a_100000228213_100011217306 [0,2,0,0,0,0|2,0,0]=4 13745 B12R0.121 CCCCCCCN(CC)CCF 269982a_100000228213_100011217306 [0,2,0,0,0,0|2,0,0]=4 13746 B12R0.121 CCCCCCCN(CC)CCO 2230a_100000210973_100000210681 [0,2,0,0,0,0|1,0,1]=4 13747 B12R0.121 CCCCCCCN(CC)CCO 2230a_100000228213_100000211926 [0,2,0,0,0,0|1,0,1]=4 13748 B12R0.121 CCCCCCCN(CC)CCO 269982a_100000210973_100000210681 [0,2,0,0,0,0|1,0,1]=4 13749 B12R0.121 CCCCCCCN(CC)CCO 269982a_100000228213_100000211926 [0,2,0,0,0,0|1,0,1]=4 13750 B12R0.121 CCCCCCCN(CC)COC 2230a_100000228213_100000766300 [0,2,0,0,0,0|1,0,1]=4 13751 B12R0.121 CCCCCCCN(CC)COC 269982a_100000228213_100000766300 [0,2,0,0,0,0|1,0,1]=4 13752 B12R0.121 CCCCCCCN(CC)CSC 2230a_100000228213_100011218213 [0,2,0,0,0,0|1,1,0]=4 13753 B12R0.121 CCCCCCCN(CC)CSC 269982a_100000228213_100011218213 [0,2,0,0,0,0|1,1,0]=4 13754 B12R0.206 C#CCCC(=O)C#CCCCCC 1458a_100011215388_100000753159 [0,2,0,0,0,0|0,0,2]=4 13755 B12R0.206 C#CCCC(=O)C/C=C/CCCC 1458a_200016282684_100000753159 [0,2,0,0,0,0|0,0,2]=4 13756 B12R0.206 C#CCCC(=O)C=CCCCCC 1458a_100016263427_100000753159 [0,2,0,0,0,0|0,0,2]=4 13757 B12R0.206 C#CCCC(=O)CCCCCC#N 1458a_100000692101_100009813376 [0,2,0,0,0,0|1,0,1]=4 13758 B12R0.206 C#CCCC(=O)CCCCCC=C 1458a_100000692101_100000700193 [0,2,0,0,0,0|0,0,2]=4 13759 B12R0.206 C#CCCC(=O)CCCCCC=C 1458a_100011934241_100000753159 [0,2,0,0,0,0|0,0,2]=4 13760 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,2,0,0,0,0|0,0,0]=2 13761 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,2,0,0,0,0|0,0,0]=2 13762 B12R0.206 C#CCCC(=O)CCCCCCF 1458a_100000692101_100015922095 [0,2,0,0,0,0|1,0,0]=3 13763 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,2,0,0,0,0|1,0,0]=3 13764 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,2,0,0,0,0|1,0,0]=3 13765 B12R0.206 C#CCCC(=O)CCCCCOC 1458a_100011935119_100000753159 [0,2,0,0,0,0|1,0,0]=3 13766 B12R0.206 C#CCCC(=O)CCOCCCC 1458a_100000692101_100000743108 [0,2,0,0,0,0|1,0,0]=3 13767 B12R0.206 C#CCCC(=O)CCOCCCC 34a_100011064465_100000210210 [0,2,0,0,0,0|1,0,0]=3 13768 B12R0.206 C#CCCC(=O)CCOCCCC 7a_100011064465_100000210211 [0,2,0,0,0,0|1,0,0]=3 13769 B12R0.206 C#CCCC(=O)CCOCCCF 34a_100011064465_100011934791 [0,2,0,0,0,0|2,0,0]=4 13770 B12R0.206 C#CCCC(=O)CCOCCCF 7a_100011064465_100011934791 [0,2,0,0,0,0|2,0,0]=4 13771 B12R0.206 C#CCCC(=O)CCOCCCO 34a_100011064465_100000230001 [0,2,0,0,0,0|2,0,0]=4 13772 B12R0.206 C#CCCC(=O)CCOCCCO 7a_100011064465_100011215043 [0,2,0,0,0,0|2,0,0]=4 13773 B12R0.206 C#CCCC(=O)CCOCCOC 1458a_100000692101_100000695917 [0,2,0,0,0,0|2,0,0]=4 13774 B12R0.206 C#CCCC(=O)CCOCCOC 1458a_100000745395_100000753159 [0,2,0,0,0,0|2,0,0]=4 13775 B12R0.206 C#CCCC(=O)CCOCCOC 34a_100011064465_100011201679 [0,2,0,0,0,0|2,0,0]=4 13776 B12R0.206 C#CCCC(=O)CCOCCOC 7a_100011064465_100000233755 [0,2,0,0,0,0|2,0,0]=4 13777 B12R0.206 C#CCCC(=O)CCOCCSC 34a_100011064465_100000212216 [0,2,0,0,0,0|2,0,0]=4 13778 B12R0.206 C#CCCC(=O)CCOCCSC 7a_100011064465_100000212216 [0,2,0,0,0,0|2,0,0]=4 13779 B12R0.206 C#CCCC(=O)NCCCCCC 11a_100000210581_100000692101 [0,2,0,0,0,0|1,0,0]=3 13780 B12R0.206 C#CCCC(=O)NCCCCCC 1626a_100000210581_100000692101 [0,2,0,0,0,0|1,0,0]=3 13781 B12R0.206 C#CCCC(=O)NCCCCCC 240690a_100000210581_100000692101 [0,2,0,0,0,0|1,0,0]=3 13782 B12R0.206 C#CCCC(=O)NCCCCCC 527a_100000210581_100000692101 [0,2,0,0,0,0|1,0,0]=3 13783 B12R0.206 C#CCCC(=O)NCCCCCO 240690a_100000762737_100000692101 [0,2,0,0,0,0|2,0,0]=4 13784 B12R0.206 C#CCCC(=O)NCCCOCC 11a_100000210961_100000692101 [0,2,0,0,0,0|2,0,0]=4 13785 B12R0.206 C#CCCC(=O)NCCCOCC 1626a_100000210961_100000692101 [0,2,0,0,0,0|2,0,0]=4 13786 B12R0.206 C#CCCC(=O)NCCCOCC 240690a_100000210961_100000692101 [0,2,0,0,0,0|2,0,0]=4 13787 B12R0.206 C#CCCC(=O)NCCCOCC 527a_100000210961_100000692101 [0,2,0,0,0,0|2,0,0]=4 13788 B12R0.206 C#CCCC(=O)NCCOCCC 1626a_100161115042_100000692101 [0,2,0,0,0,0|2,0,0]=4 13789 B12R0.206 C#CCCC(=O)NCCOCCC 240690a_100161115042_100000692101 [0,2,0,0,0,0|2,0,0]=4 13790 B12R0.206 C#CCCC(=O)NCCOCCC 527a_100161115042_100000692101 [0,2,0,0,0,0|2,0,0]=4 13791 B12R0.206 C#CCCC(=O)NCCSCCC 11a_100020603323_100000692101 [0,2,0,0,0,0|2,0,0]=4 13792 B12R0.206 C#CCCC(=O)NCCSCCC 240690a_100020603323_100000692101 [0,2,0,0,0,0|2,0,0]=4 13793 B12R0.206 C#CCCC(=O)NCCSCCC 527a_100020603323_100000692101 [0,2,0,0,0,0|2,0,0]=4 13794 B12R0.206 C#CCCC(=O)NNCCCCC 22a_100000694160_100000692101 [0,2,0,0,0,0|2,0,0]=4 13795 B12R0.206 C#CCCCCCC(=O)C#CCC 1458a_100011827653_100012094781 [0,2,0,0,0,0|0,0,2]=4 13796 B12R0.206 C#CCCCCCC(=O)C/C=C/C 1458a_100000694772_100102629194 [0,2,0,0,0,0|0,0,2]=4 13797 B12R0.206 C#CCCCCCC(=O)C=CCC 1458a_100000212282_100012094781 [0,2,0,0,0,0|0,0,2]=4 13798 B12R0.206 C#CCCCCCC(=O)CC#CC 1458a_100000694772_100000748600 [0,2,0,0,0,0|0,0,2]=4 13799 B12R0.206 C#CCCCCCC(=O)CC=CC 1458a_100000694772_100000070051 [0,2,0,0,0,0|0,0,2]=4 13800 B12R0.206 C#CCCCCCC(=O)CC=CC 1458a_100121576822_100012094781 [0,2,0,0,0,0|0,0,2]=4 13801 B12R0.206 C#CCCCCCC(=O)CCC#C 1458a_100000692101_100012094781 [0,2,0,0,0,0|0,0,2]=4 13802 B12R0.206 C#CCCCCCC(=O)CCC#C 1458a_100000694772_100000753159 [0,2,0,0,0,0|0,0,2]=4 13803 B12R0.206 C#CCCCCCC(=O)CCC#N 1458a_100000694772_100011215226 [0,2,0,0,0,0|0,0,2]=4 13804 B12R0.206 C#CCCCCCC(=O)CCC#N 1458a_100011934036_100012094781 [0,2,0,0,0,0|0,0,2]=4 13805 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000694772_100000754431 [0,2,0,0,0,0|0,0,2]=4 13806 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000749702_100012094781 [0,2,0,0,0,0|0,0,2]=4 13807 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,2,0,0,0,0|0,0,2]=4 13808 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,2,0,0,0,0|0,0,2]=4 13809 B12R0.206 C#CCCCCCC(=O)CCCF 1458a_100000694772_100011934791 [0,2,0,0,0,0|0,0,2]=4 13810 B12R0.206 C#CCCCCCC(=O)CCCO 1458a_100000694772_100011215043 [0,2,0,0,0,0|0,0,2]=4 13811 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000694772_100000233755 [0,2,0,0,0,0|0,0,2]=4 13812 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000749529_100012094781 [0,2,0,0,0,0|0,0,2]=4 13813 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000174002_100012094781 [0,2,0,0,0,0|0,0,2]=4 13814 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000694772_100000751147 [0,2,0,0,0,0|0,0,2]=4 13815 B12R0.206 C#CCCCCCC(=O)COCC 1458a_100000211967_100012094781 [0,2,0,0,0,0|0,0,2]=4 13816 B12R0.206 C#CCCCCCC(=O)CSCC 1458a_100000230394_100012094781 [0,2,0,0,0,0|0,0,2]=4 13817 B12R0.206 C#CCCCCCC(=O)NCCC 11a_100020643023_100000694772 [0,2,0,0,0,0|0,0,2]=4 13818 B12R0.206 C#CCCCCCC(=O)NCCC 1626a_100020643023_100000694772 [0,2,0,0,0,0|0,0,2]=4 13819 B12R0.206 C#CCCCCCC(=O)NCCC 240690a_100020643023_100000694772 [0,2,0,0,0,0|0,0,2]=4 13820 B12R0.206 C#CCCCCCC(=O)NCCC 527a_100020643023_100000694772 [0,2,0,0,0,0|0,0,2]=4 13821 B12R0.206 C#CCCCCCC(=O)NCCF 11a_100000724931_100000694772 [0,2,0,0,0,0|0,0,2]=4 13822 B12R0.206 C#CCCCCCC(=O)NCCF 1626a_100000724931_100000694772 [0,2,0,0,0,0|0,0,2]=4 13823 B12R0.206 C#CCCCCCC(=O)NCCF 240690a_100000724931_100000694772 [0,2,0,0,0,0|0,0,2]=4 13824 B12R0.206 C#CCCCCCC(=O)NCCF 527a_100000724931_100000694772 [0,2,0,0,0,0|0,0,2]=4 13825 B12R0.206 C#CCCCCCC(=O)NCCO 240690a_100000210304_100000694772 [0,2,0,0,0,0|0,0,2]=4 13826 B12R0.206 C#CCCCCCC(=O)NCCO 527a_100000210304_100000694772 [0,2,0,0,0,0|0,0,2]=4 13827 B12R0.206 C#CCCCCCC(=O)NNCC 22a_100000756455_100000694772 [0,2,0,0,0,0|0,0,2]=4 13828 B12R0.206 C#CCCN(C)CCCCCCC 2230a_100000228206_100000688953 [0,2,0,0,0,0|2,0,0]=4 13829 B12R0.206 C#CCCN(C)CCCCCCC 269982a_100000228206_100000730999 [0,2,0,0,0,0|2,0,0]=4 13830 B12R0.206 C#CCNC(=O)CCCCCCC 11a_100000212058_100000211969 [0,2,0,0,0,0|0,0,1]=3 13831 B12R0.206 C#CCNC(=O)CCCCCCC 1626a_100000212058_100000211969 [0,2,0,0,0,0|0,0,1]=3 13832 B12R0.206 C#CCNC(=O)CCCCCCC 240690a_100000212058_100000211969 [0,2,0,0,0,0|0,0,1]=3 13833 B12R0.206 C#CCNC(=O)CCCCCCC 527a_100000212058_100000211969 [0,2,0,0,0,0|0,0,1]=3 13834 B12R0.206 C#CCNC(=O)CCCCCCO 240690a_100000212058_100011996774 [0,2,0,0,0,0|1,0,1]=4 13835 B12R0.206 C#CCNC(=O)CCCCCOC 11a_100000212058_100011935119 [0,2,0,0,0,0|1,0,1]=4 13836 B12R0.206 C#CCNC(=O)CCCCCOC 1626a_100000212058_100011935119 [0,2,0,0,0,0|1,0,1]=4 13837 B12R0.206 C#CCNC(=O)CCCCCOC 240690a_100000212058_100011935119 [0,2,0,0,0,0|1,0,1]=4 13838 B12R0.206 C#CCNC(=O)CCCCCOC 527a_100000212058_100011935119 [0,2,0,0,0,0|1,0,1]=4 13839 B12R0.206 C#CCNC(=O)CNCCCCC 2230a_100000747989_100000210326 [0,2,0,0,0,0|1,0,1]=4 13840 B12R0.206 C#CCNC(=O)CNCCCCC 34a_100000747989_100000718602 [0,2,0,0,0,0|1,0,1]=4 13841 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000210581_100000212058 [0,2,0,0,0,0|1,0,1]=4 13842 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000212058_100000210581 [0,2,0,0,0,0|1,0,1]=4 13843 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000210581_100000212058 [0,2,0,0,0,0|1,0,1]=4 13844 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000212058_100000210581 [0,2,0,0,0,0|1,0,1]=4 13845 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000210581_100000212058 [0,2,0,0,0,0|1,0,1]=4 13846 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000212058_100000210581 [0,2,0,0,0,0|1,0,1]=4 13847 B12R0.206 C/C=C/CC(=O)C#CCCCCC 1458a_100011215388_100102629194 [0,2,0,0,0,0|0,0,2]=4 13848 B12R0.206 C/C=C/CC(=O)C/C=C/CCCC 1458a_200016282684_100102629194 [0,2,0,0,0,0|0,0,2]=4 13849 B12R0.206 C/C=C/CC(=O)C=CCCCCC 1458a_100016263427_100102629194 [0,2,0,0,0,0|0,0,2]=4 13850 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,2,0,0,0,0|0,0,0]=2 13851 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,2,0,0,0,0|1,0,0]=3 13852 B12R0.206 C/C=C/CC(=O)CCCCCOC 1458a_100011935119_100102629194 [0,2,0,0,0,0|1,0,0]=3 13853 B12R0.206 C/C=C/CC(=O)CCOCCOC 1458a_100000745395_100102629194 [0,2,0,0,0,0|2,0,0]=4 13854 B12R0.206 C/C=C/CN(C)CCCCCCC 269982a_100000228206_100102629194 [0,2,0,0,0,0|2,0,0]=4 13855 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,2,0,0,0,0|2,0,0]=4 13856 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000042856_100000210326 [0,2,0,0,0,0|2,0,0]=4 13857 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000210326_100000042856 [0,2,0,0,0,0|2,0,0]=4 13858 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,2,0,0,0,0|0,0,2]=4 13859 B12R0.206 C=CCCC(=O)C#CCCCCC 1458a_100011215388_100000754431 [0,2,0,0,0,0|0,0,2]=4 13860 B12R0.206 C=CCCC(=O)C/C=C/CCCC 1458a_200016282684_100000754431 [0,2,0,0,0,0|0,0,2]=4 13861 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,2,0,0,0,0|0,0,2]=4 13862 B12R0.206 C=CCCC(=O)CCCCCC#N 1458a_100000749702_100009813376 [0,2,0,0,0,0|1,0,1]=4 13863 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|0,0,0]=2 13864 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|0,0,0]=2 13865 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,2,0,0,0,0|1,0,0]=3 13866 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,2,0,0,0,0|1,0,0]=3 13867 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,2,0,0,0,0|1,0,0]=3 13868 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,2,0,0,0,0|1,0,0]=3 13869 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,2,0,0,0,0|1,0,0]=3 13870 B12R0.206 C=CCCC(=O)CCOCCOC 1458a_100000745395_100000754431 [0,2,0,0,0,0|2,0,0]=4 13871 B12R0.206 C=CCCC(=O)CCOCCOC 1458a_100000749702_100000695917 [0,2,0,0,0,0|2,0,0]=4 13872 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,2,0,0,0,0|1,0,0]=3 13873 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,2,0,0,0,0|1,0,0]=3 13874 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,2,0,0,0,0|1,0,0]=3 13875 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,2,0,0,0,0|1,0,0]=3 13876 B12R0.206 C=CCCC(=O)NCCCCCO 240690a_100000762737_100000749702 [0,2,0,0,0,0|2,0,0]=4 13877 B12R0.206 C=CCCC(=O)NCCCOCC 11a_100000210961_100000749702 [0,2,0,0,0,0|2,0,0]=4 13878 B12R0.206 C=CCCC(=O)NCCCOCC 1626a_100000210961_100000749702 [0,2,0,0,0,0|2,0,0]=4 13879 B12R0.206 C=CCCC(=O)NCCCOCC 240690a_100000210961_100000749702 [0,2,0,0,0,0|2,0,0]=4 13880 B12R0.206 C=CCCC(=O)NCCCOCC 527a_100000210961_100000749702 [0,2,0,0,0,0|2,0,0]=4 13881 B12R0.206 C=CCCC(=O)NCCOCCC 1626a_100161115042_100000749702 [0,2,0,0,0,0|2,0,0]=4 13882 B12R0.206 C=CCCC(=O)NCCOCCC 240690a_100161115042_100000749702 [0,2,0,0,0,0|2,0,0]=4 13883 B12R0.206 C=CCCC(=O)NCCOCCC 527a_100161115042_100000749702 [0,2,0,0,0,0|2,0,0]=4 13884 B12R0.206 C=CCCC(=O)NCCSCCC 11a_100020603323_100000749702 [0,2,0,0,0,0|2,0,0]=4 13885 B12R0.206 C=CCCC(=O)NCCSCCC 240690a_100020603323_100000749702 [0,2,0,0,0,0|2,0,0]=4 13886 B12R0.206 C=CCCC(=O)NCCSCCC 527a_100020603323_100000749702 [0,2,0,0,0,0|2,0,0]=4 13887 B12R0.206 C=CCCC(=O)NNCCCCC 22a_100000694160_100000749702 [0,2,0,0,0,0|2,0,0]=4 13888 B12R0.206 C=CCCCCCC(=O)C#CCC 1458a_100011827653_100000700193 [0,2,0,0,0,0|0,0,2]=4 13889 B12R0.206 C=CCCCCCC(=O)C/C=C/C 1458a_100011934241_100102629194 [0,2,0,0,0,0|0,0,2]=4 13890 B12R0.206 C=CCCCCCC(=O)C=CCC 1458a_100000212282_100000700193 [0,2,0,0,0,0|0,0,2]=4 13891 B12R0.206 C=CCCCCCC(=O)CC#CC 1458a_100011934241_100000748600 [0,2,0,0,0,0|0,0,2]=4 13892 B12R0.206 C=CCCCCCC(=O)CC=CC 1458a_100011934241_100000070051 [0,2,0,0,0,0|0,0,2]=4 13893 B12R0.206 C=CCCCCCC(=O)CC=CC 1458a_100121576822_100000700193 [0,2,0,0,0,0|0,0,2]=4 13894 B12R0.206 C=CCCCCCC(=O)CCC#N 1458a_100011934036_100000700193 [0,2,0,0,0,0|0,0,2]=4 13895 B12R0.206 C=CCCCCCC(=O)CCC#N 1458a_100011934241_100011215226 [0,2,0,0,0,0|0,0,2]=4 13896 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100000749702_100000700193 [0,2,0,0,0,0|0,0,2]=4 13897 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100011934241_100000754431 [0,2,0,0,0,0|0,0,2]=4 13898 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,2,0,0,0,0|0,0,2]=4 13899 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,2,0,0,0,0|0,0,2]=4 13900 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,2,0,0,0,0|0,0,2]=4 13901 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,2,0,0,0,0|0,0,2]=4 13902 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,2,0,0,0,0|0,0,2]=4 13903 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,2,0,0,0,0|0,0,2]=4 13904 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,2,0,0,0,0|0,0,2]=4 13905 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,2,0,0,0,0|0,0,2]=4 13906 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,2,0,0,0,0|0,0,2]=4 13907 B12R0.206 C=CCCCCCC(=O)CSCC 1458a_100000230394_100000700193 [0,2,0,0,0,0|0,0,2]=4 13908 B12R0.206 C=CCCCCCC(=O)NCCC 11a_100020643023_100011934241 [0,2,0,0,0,0|0,0,2]=4 13909 B12R0.206 C=CCCCCCC(=O)NCCC 1626a_100020643023_100011934241 [0,2,0,0,0,0|0,0,2]=4 13910 B12R0.206 C=CCCCCCC(=O)NCCC 240690a_100020643023_100011934241 [0,2,0,0,0,0|0,0,2]=4 13911 B12R0.206 C=CCCCCCC(=O)NCCC 527a_100020643023_100011934241 [0,2,0,0,0,0|0,0,2]=4 13912 B12R0.206 C=CCCCCCC(=O)NCCF 11a_100000724931_100011934241 [0,2,0,0,0,0|0,0,2]=4 13913 B12R0.206 C=CCCCCCC(=O)NCCF 1626a_100000724931_100011934241 [0,2,0,0,0,0|0,0,2]=4 13914 B12R0.206 C=CCCCCCC(=O)NCCF 240690a_100000724931_100011934241 [0,2,0,0,0,0|0,0,2]=4 13915 B12R0.206 C=CCCCCCC(=O)NCCF 527a_100000724931_100011934241 [0,2,0,0,0,0|0,0,2]=4 13916 B12R0.206 C=CCCCCCC(=O)NCCO 240690a_100000210304_100011934241 [0,2,0,0,0,0|0,0,2]=4 13917 B12R0.206 C=CCCCCCC(=O)NCCO 527a_100000210304_100011934241 [0,2,0,0,0,0|0,0,2]=4 13918 B12R0.206 C=CCCCCCC(=O)NNCC 22a_100000756455_100011934241 [0,2,0,0,0,0|0,0,2]=4 13919 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100000228206_100000754431 [0,2,0,0,0,0|2,0,0]=4 13920 B12R0.206 C=CCCN(C)CCCCCCC 2230a_100020639649_100000210681 [0,2,0,0,0,0|2,0,0]=4 13921 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100000228206_100000754431 [0,2,0,0,0,0|2,0,0]=4 13922 B12R0.206 C=CCCN(C)CCCCCCC 269982a_100020639649_100000210681 [0,2,0,0,0,0|2,0,0]=4 13923 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,2,0,0,0,0|0,0,1]=3 13924 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,2,0,0,0,0|0,0,1]=3 13925 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,2,0,0,0,0|0,0,1]=3 13926 B12R0.206 C=CCNC(=O)CCCCCCO 240690a_100020586998_100011996774 [0,2,0,0,0,0|1,0,1]=4 13927 B12R0.206 C=CCNC(=O)CCCCCOC 1626a_100020586998_100011935119 [0,2,0,0,0,0|1,0,1]=4 13928 B12R0.206 C=CCNC(=O)CCCCCOC 240690a_100020586998_100011935119 [0,2,0,0,0,0|1,0,1]=4 13929 B12R0.206 C=CCNC(=O)CCCCCOC 527a_100020586998_100011935119 [0,2,0,0,0,0|1,0,1]=4 13930 B12R0.206 C=CCNC(=O)CCNCCCC 2230a_100000102301_100011222895 [0,2,0,0,0,0|1,0,1]=4 13931 B12R0.206 C=CCNC(=O)CCNCCCC 7a_106832991798_100011222895 [0,2,0,0,0,0|1,0,1]=4 13932 B12R0.206 C=CCNC(=O)CCOCCCC 7a_100000210227_100011222895 [0,2,0,0,0,0|1,0,1]=4 13933 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100000210211_100011222895 [0,2,0,0,0,0|1,0,1]=4 13934 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100011222895_100000210210 [0,2,0,0,0,0|1,0,1]=4 13935 B12R0.206 C=CCNC(=O)CNCCCCC 2230a_100000209983_100000183597 [0,2,0,0,0,0|1,0,1]=4 13936 B12R0.206 C=CCNC(=O)COCCCCC 7a_100000210253_100000183597 [0,2,0,0,0,0|1,0,1]=4 13937 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000183597_100000210326 [0,2,0,0,0,0|1,0,1]=4 13938 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000210326_100000183597 [0,2,0,0,0,0|1,0,1]=4 13939 B12R0.206 C=CCNC(=O)NCCCCCC 2708a_100000210581_100020586998 [0,2,0,0,0,0|1,0,1]=4 13940 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100000210581_100020586998 [0,2,0,0,0,0|1,0,1]=4 13941 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100020586998_100000210581 [0,2,0,0,0,0|1,0,1]=4 13942 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100000210581_100020586998 [0,2,0,0,0,0|1,0,1]=4 13943 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100020586998_100000210581 [0,2,0,0,0,0|1,0,1]=4 13944 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,2,0,0,0,0|1,0,1]=4 13945 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,2,0,0,0,0|1,0,1]=4 13946 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,2,0,0,0,0|1,0,1]=4 13947 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,2,0,0,0,0|1,0,1]=4 13948 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,2,0,0,0,0|1,0,1]=4 13949 B12R0.206 CC#CCC(=O)C#CCCCCC 1458a_100011215388_100000748600 [0,2,0,0,0,0|0,0,2]=4 13950 B12R0.206 CC#CCC(=O)C/C=C/CCCC 1458a_200016282684_100000748600 [0,2,0,0,0,0|0,0,2]=4 13951 B12R0.206 CC#CCC(=O)C=CCCCCC 1458a_100016263427_100000748600 [0,2,0,0,0,0|0,0,2]=4 13952 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [0,2,0,0,0,0|0,0,0]=2 13953 B12R0.206 CC#CCC(=O)CCCCCCO 1458a_100011996774_100000748600 [0,2,0,0,0,0|1,0,0]=3 13954 B12R0.206 CC#CCC(=O)CCCCCOC 1458a_100011935119_100000748600 [0,2,0,0,0,0|1,0,0]=3 13955 B12R0.206 CC#CCC(=O)CCOCCOC 1458a_100000745395_100000748600 [0,2,0,0,0,0|2,0,0]=4 13956 B12R0.206 CC#CCN(C)CCCCCCC 2230a_100000228206_100000748600 [0,2,0,0,0,0|2,0,0]=4 13957 B12R0.206 CC=CCC(=O)C#CCCCCC 1458a_100011215388_100000070051 [0,2,0,0,0,0|0,0,2]=4 13958 B12R0.206 CC=CCC(=O)C/C=C/CCCC 1458a_200016282684_100000070051 [0,2,0,0,0,0|0,0,2]=4 13959 B12R0.206 CC=CCC(=O)C=CCCCCC 1458a_100016263427_100000070051 [0,2,0,0,0,0|0,0,2]=4 13960 B12R0.206 CC=CCC(=O)CCCCCC#N 1458a_100121576822_100009813376 [0,2,0,0,0,0|1,0,1]=4 13961 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,2,0,0,0,0|0,0,0]=2 13962 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,2,0,0,0,0|0,0,0]=2 13963 B12R0.206 CC=CCC(=O)CCCCCCF 1458a_100121576822_100015922095 [0,2,0,0,0,0|1,0,0]=3 13964 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,2,0,0,0,0|1,0,0]=3 13965 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,2,0,0,0,0|1,0,0]=3 13966 B12R0.206 CC=CCC(=O)CCCCCOC 1458a_100011935119_100000070051 [0,2,0,0,0,0|1,0,0]=3 13967 B12R0.206 CC=CCC(=O)CCOCCCC 1458a_100121576822_100000743108 [0,2,0,0,0,0|1,0,0]=3 13968 B12R0.206 CC=CCC(=O)CCOCCOC 1458a_100000745395_100000070051 [0,2,0,0,0,0|2,0,0]=4 13969 B12R0.206 CC=CCC(=O)CCOCCOC 1458a_100121576822_100000695917 [0,2,0,0,0,0|2,0,0]=4 13970 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,2,0,0,0,0|1,0,0]=3 13971 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,2,0,0,0,0|1,0,0]=3 13972 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,2,0,0,0,0|1,0,0]=3 13973 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,2,0,0,0,0|1,0,0]=3 13974 B12R0.206 CC=CCC(=O)NCCCCCO 240690a_100000762737_100121576822 [0,2,0,0,0,0|2,0,0]=4 13975 B12R0.206 CC=CCC(=O)NCCCOCC 11a_100000210961_100121576822 [0,2,0,0,0,0|2,0,0]=4 13976 B12R0.206 CC=CCC(=O)NCCCOCC 1626a_100000210961_100121576822 [0,2,0,0,0,0|2,0,0]=4 13977 B12R0.206 CC=CCC(=O)NCCCOCC 240690a_100000210961_100121576822 [0,2,0,0,0,0|2,0,0]=4 13978 B12R0.206 CC=CCC(=O)NCCCOCC 527a_100000210961_100121576822 [0,2,0,0,0,0|2,0,0]=4 13979 B12R0.206 CC=CCC(=O)NCCOCCC 1626a_100161115042_100121576822 [0,2,0,0,0,0|2,0,0]=4 13980 B12R0.206 CC=CCC(=O)NCCOCCC 240690a_100161115042_100121576822 [0,2,0,0,0,0|2,0,0]=4 13981 B12R0.206 CC=CCC(=O)NCCOCCC 527a_100161115042_100121576822 [0,2,0,0,0,0|2,0,0]=4 13982 B12R0.206 CC=CCC(=O)NCCSCCC 11a_100020603323_100121576822 [0,2,0,0,0,0|2,0,0]=4 13983 B12R0.206 CC=CCC(=O)NCCSCCC 240690a_100020603323_100121576822 [0,2,0,0,0,0|2,0,0]=4 13984 B12R0.206 CC=CCC(=O)NCCSCCC 527a_100020603323_100121576822 [0,2,0,0,0,0|2,0,0]=4 13985 B12R0.206 CC=CCC(=O)NNCCCCC 22a_100000694160_100121576822 [0,2,0,0,0,0|2,0,0]=4 13986 B12R0.206 CC=CCN(C)CCCCCCC 2230a_100000228206_100000070051 [0,2,0,0,0,0|2,0,0]=4 13987 B12R0.206 CC=NNC(=O)CCCCCCC 4a_100000181853_200000210099 [0,2,0,0,0,0|0,0,1]=3 13988 B12R0.206 CCC#CC(=O)CCCCCC#N 1458a_100011827653_100009813376 [0,2,0,0,0,0|1,0,1]=4 13989 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,2,0,0,0,0|0,0,0]=2 13990 B12R0.206 CCC#CC(=O)CCCCCCF 1458a_100011827653_100015922095 [0,2,0,0,0,0|1,0,0]=3 13991 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [0,2,0,0,0,0|1,0,0]=3 13992 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [0,2,0,0,0,0|1,0,0]=3 13993 B12R0.206 CCC#CC(=O)CCOCCOC 1458a_100011827653_100000695917 [0,2,0,0,0,0|2,0,0]=4 13994 B12R0.206 CCC#CC(=O)NNCCCCC 22a_100000694160_100011827653 [0,2,0,0,0,0|2,0,0]=4 13995 B12R0.206 CCC=CC(=O)CCCCCC#N 1458a_100000212282_100009813376 [0,2,0,0,0,0|1,0,1]=4 13996 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|0,0,0]=2 13997 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [0,2,0,0,0,0|1,0,0]=3 13998 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,2,0,0,0,0|1,0,0]=3 13999 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,2,0,0,0,0|1,0,0]=3 14000 B12R0.206 CCC=CC(=O)CCOCCOC 1458a_100000212282_100000695917 [0,2,0,0,0,0|2,0,0]=4 14001 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,2,0,0,0,0|1,0,0]=3 14002 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,2,0,0,0,0|1,0,0]=3 14003 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,2,0,0,0,0|1,0,0]=3 14004 B12R0.206 CCC=CC(=O)NCCCCCO 240690a_100000762737_100000212282 [0,2,0,0,0,0|2,0,0]=4 14005 B12R0.206 CCC=CC(=O)NCCCOCC 11a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 14006 B12R0.206 CCC=CC(=O)NCCCOCC 1626a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 14007 B12R0.206 CCC=CC(=O)NCCCOCC 240690a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 14008 B12R0.206 CCC=CC(=O)NCCOCCC 1626a_100161115042_100000212282 [0,2,0,0,0,0|2,0,0]=4 14009 B12R0.206 CCC=CC(=O)NCCOCCC 240690a_100161115042_100000212282 [0,2,0,0,0,0|2,0,0]=4 14010 B12R0.206 CCC=CC(=O)NCCSCCC 11a_100020603323_100000212282 [0,2,0,0,0,0|2,0,0]=4 14011 B12R0.206 CCC=CC(=O)NCCSCCC 240690a_100020603323_100000212282 [0,2,0,0,0,0|2,0,0]=4 14012 B12R0.206 CCC=CC(=O)NNCCCCC 22a_100000694160_100000212282 [0,2,0,0,0,0|2,0,0]=4 14013 B12R0.206 CCCC/C=C/CC(=O)CCC#N 1458a_200016282684_100011215226 [0,2,0,0,0,0|0,0,2]=4 14014 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [0,2,0,0,0,0|0,0,2]=4 14015 B12R0.206 CCCC/C=C/CC(=O)CCCF 1458a_200016282684_100011934791 [0,2,0,0,0,0|0,0,2]=4 14016 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [0,2,0,0,0,0|0,0,2]=4 14017 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,2,0,0,0,0|0,0,2]=4 14018 B12R0.206 CCCC/C=C/CC(=O)CCSC 1458a_200016282684_100000751147 [0,2,0,0,0,0|0,0,2]=4 14019 B12R0.206 CCCC/C=C/CC(=O)NCCC 11a_100020643023_200016282684 [0,2,0,0,0,0|0,0,2]=4 14020 B12R0.206 CCCC/C=C/CC(=O)NCCC 1626a_100020643023_200016282684 [0,2,0,0,0,0|0,0,2]=4 14021 B12R0.206 CCCC/C=C/CC(=O)NCCC 240690a_100020643023_200016282684 [0,2,0,0,0,0|0,0,2]=4 14022 B12R0.206 CCCC/C=C/CC(=O)NCCC 527a_100020643023_200016282684 [0,2,0,0,0,0|0,0,2]=4 14023 B12R0.206 CCCC/C=C/CC(=O)NCCF 11a_100000724931_200016282684 [0,2,0,0,0,0|0,0,2]=4 14024 B12R0.206 CCCC/C=C/CC(=O)NCCF 1626a_100000724931_200016282684 [0,2,0,0,0,0|0,0,2]=4 14025 B12R0.206 CCCC/C=C/CC(=O)NCCF 240690a_100000724931_200016282684 [0,2,0,0,0,0|0,0,2]=4 14026 B12R0.206 CCCC/C=C/CC(=O)NCCF 527a_100000724931_200016282684 [0,2,0,0,0,0|0,0,2]=4 14027 B12R0.206 CCCC/C=C/CC(=O)NCCO 240690a_100000210304_200016282684 [0,2,0,0,0,0|0,0,2]=4 14028 B12R0.206 CCCC/C=C/CC(=O)NCCO 527a_100000210304_200016282684 [0,2,0,0,0,0|0,0,2]=4 14029 B12R0.206 CCCC/C=C/CC(=O)NNCC 22a_100000756455_200016282684 [0,2,0,0,0,0|0,0,2]=4 14030 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,2,0,0,0,0|1,0,1]=4 14031 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,2,0,0,0,0|1,0,0]=3 14032 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,2,0,0,0,0|1,0,0]=3 14033 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,2,0,0,0,0|1,0,0]=3 14034 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,2,0,0,0,0|1,0,0]=3 14035 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000210183_100000695917 [0,2,0,0,0,0|2,0,0]=4 14036 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000745395_100000210211 [0,2,0,0,0,0|2,0,0]=4 14037 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,2,0,0,0,0|2,0,0]=4 14038 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,2,0,0,0,0|2,0,0]=4 14039 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,2,0,0,0,0|2,0,0]=4 14040 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,2,0,0,0,0|2,0,0]=4 14041 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,2,0,0,0,0|2,0,0]=4 14042 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,2,0,0,0,0|2,0,0]=4 14043 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,2,0,0,0,0|2,0,0]=4 14044 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,2,0,0,0,0|2,0,0]=4 14045 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,2,0,0,0,0|2,0,0]=4 14046 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,2,0,0,0,0|2,0,0]=4 14047 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,2,0,0,0,0|2,0,0]=4 14048 B12R0.206 CCCCCC#CC(=O)CCC#N 1458a_100011215388_100011215226 [0,2,0,0,0,0|0,0,2]=4 14049 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,2,0,0,0,0|0,0,2]=4 14050 B12R0.206 CCCCCC#CC(=O)CCCF 1458a_100011215388_100011934791 [0,2,0,0,0,0|0,0,2]=4 14051 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,2,0,0,0,0|0,0,2]=4 14052 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,2,0,0,0,0|0,0,2]=4 14053 B12R0.206 CCCCCC#CC(=O)CCSC 1458a_100011215388_100000751147 [0,2,0,0,0,0|0,0,2]=4 14054 B12R0.206 CCCCCC#CC(=O)NCCC 240690a_100020643023_100011215388 [0,2,0,0,0,0|0,0,2]=4 14055 B12R0.206 CCCCCC#CC(=O)NCCF 240690a_100000724931_100011215388 [0,2,0,0,0,0|0,0,2]=4 14056 B12R0.206 CCCCCC#CC(=O)NCCO 240690a_100000210304_100011215388 [0,2,0,0,0,0|0,0,2]=4 14057 B12R0.206 CCCCCC#CC(=O)NNCC 22a_100000756455_100011215388 [0,2,0,0,0,0|0,0,2]=4 14058 B12R0.206 CCCCCC=CC(=O)CCC#N 1458a_100016263427_100011215226 [0,2,0,0,0,0|0,0,2]=4 14059 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,2,0,0,0,0|0,0,2]=4 14060 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,2,0,0,0,0|0,0,2]=4 14061 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,2,0,0,0,0|0,0,2]=4 14062 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,2,0,0,0,0|0,0,2]=4 14063 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,2,0,0,0,0|0,0,2]=4 14064 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,2,0,0,0,0|0,0,2]=4 14065 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,2,0,0,0,0|0,0,2]=4 14066 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,2,0,0,0,0|0,0,2]=4 14067 B12R0.206 CCCCCC=CC(=O)NCCF 11a_100000724931_100016263427 [0,2,0,0,0,0|0,0,2]=4 14068 B12R0.206 CCCCCC=CC(=O)NCCF 1626a_100000724931_100016263427 [0,2,0,0,0,0|0,0,2]=4 14069 B12R0.206 CCCCCC=CC(=O)NCCF 240690a_100000724931_100016263427 [0,2,0,0,0,0|0,0,2]=4 14070 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,2,0,0,0,0|0,0,2]=4 14071 B12R0.206 CCCCCC=CC(=O)NNCC 22a_100000756455_100016263427 [0,2,0,0,0,0|0,0,2]=4 14072 B12R0.206 CCCCCCCC(=NNCC)C 4a_100000756455_100000210596 [0,2,0,0,0,0|1,0,0]=3 14073 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [0,2,0,0,0,0|0,0,1]=3 14074 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,2,0,0,0,0|0,0,1]=3 14075 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,2,0,0,0,0|0,0,0]=2 14076 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,2,0,0,0,0|0,0,0]=2 14077 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|0,0,0]=2 14078 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|0,0,0]=2 14079 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|0,0,0]=2 14080 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|0,0,0]=2 14081 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|0,0,0]=2 14082 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|0,0,0]=2 14083 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|0,0,0]=2 14084 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|0,0,0]=2 14085 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|0,0,0]=2 14086 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,2,0,0,0,0|0,0,0]=2 14087 B12R0.206 CCCCCCCC(=O)NCC#N 1626a_100000734998_100000211969 [0,2,0,0,0,0|0,0,1]=3 14088 B12R0.206 CCCCCCCC(=O)NCC#N 527a_100000734998_100000211969 [0,2,0,0,0,0|0,0,1]=3 14089 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,2,0,0,0,0|0,0,0]=2 14090 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,2,0,0,0,0|0,0,0]=2 14091 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,2,0,0,0,0|0,0,0]=2 14092 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,2,0,0,0,0|0,0,0]=2 14093 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,2,0,0,0,0|0,0,0]=2 14094 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,2,0,0,0,0|0,0,0]=2 14095 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,2,0,0,0,0|0,0,0]=2 14096 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,2,0,0,0,0|0,0,0]=2 14097 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,2,0,0,0,0|0,0,0]=2 14098 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,2,0,0,0,0|0,0,0]=2 14099 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,2,0,0,0,0|0,0,0]=2 14100 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|0,0,0]=2 14101 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|0,0,0]=2 14102 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|0,0,0]=2 14103 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|0,0,0]=2 14104 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|0,0,0]=2 14105 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|0,0,0]=2 14106 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,2,0,0,0,0|1,0,1]=4 14107 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,2,0,0,0,0|1,0,1]=4 14108 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,2,0,0,0,0|1,0,1]=4 14109 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,2,0,0,0,0|1,0,1]=4 14110 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,2,0,0,0,0|1,0,1]=4 14111 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,2,0,0,0,0|1,0,1]=4 14112 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,2,0,0,0,0|1,0,1]=4 14113 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 14114 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 14115 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,2,0,0,0,0|1,0,1]=4 14116 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,2,0,0,0,0|1,0,1]=4 14117 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,2,0,0,0,0|1,0,1]=4 14118 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,2,0,0,0,0|1,0,1]=4 14119 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,2,0,0,0,0|1,0,1]=4 14120 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,2,0,0,0,0|1,0,1]=4 14121 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,2,0,0,0,0|1,0,1]=4 14122 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,2,0,0,0,0|1,0,1]=4 14123 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,2,0,0,0,0|1,0,1]=4 14124 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,2,0,0,0,0|1,0,1]=4 14125 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,2,0,0,0,0|1,0,1]=4 14126 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,2,0,0,0,0|1,0,1]=4 14127 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,2,0,0,0,0|1,0,1]=4 14128 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,2,0,0,0,0|1,0,1]=4 14129 B12R0.206 CCCCCCCC(C)SCSC 62a_100011218213_200011218727 [0,2,0,0,0,0|1,0,1]=4 14130 B12R0.206 CCCCCCCC(C)SCSC 62a_200011218727_100011218213 [0,2,0,0,0,0|1,0,1]=4 14131 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000184479_100000210681 [0,2,0,0,0,0|2,0,0]=4 14132 B12R0.206 CCCCCCCN(C)CCC#N 2230a_100000228206_100011215226 [0,2,0,0,0,0|2,0,0]=4 14133 B12R0.206 CCCCCCCN(C)CCC#N 269982a_100000228206_100011215226 [0,2,0,0,0,0|2,0,0]=4 14134 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [0,2,0,0,0,0|2,0,0]=4 14135 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [0,2,0,0,0,0|2,0,0]=4 14136 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [0,2,0,0,0,0|2,0,0]=4 14137 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [0,2,0,0,0,0|2,0,0]=4 14138 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [0,2,0,0,0,0|2,0,0]=4 14139 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [0,2,0,0,0,0|2,0,0]=4 14140 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,2,0,0,0,0|2,0,0]=4 14141 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,2,0,0,0,0|2,0,0]=4 14142 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,2,0,0,0,0|2,0,0]=4 14143 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,2,0,0,0,0|2,0,0]=4 14144 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,2,0,0,0,0|2,0,0]=4 14145 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,2,0,0,0,0|2,0,0]=4 14146 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,2,0,0,0,0|2,0,0]=4 14147 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,2,0,0,0,0|2,0,0]=4 14148 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000228206_100000751147 [0,2,0,0,0,0|2,0,0]=4 14149 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000686725_100000210681 [0,2,0,0,0,0|2,0,0]=4 14150 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000228206_100000212216 [0,2,0,0,0,0|2,0,0]=4 14151 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000686725_100000210681 [0,2,0,0,0,0|2,0,0]=4 14152 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [0,2,0,0,0,0|2,0,0]=4 14153 B12R0.206 CCCCCCNC(=O)C=COC 1626a_100000210581_100016268678 [0,2,0,0,0,0|1,0,1]=4 14154 B12R0.206 CCCCCCNC(=O)C=COC 240690a_100000210581_100016268678 [0,2,0,0,0,0|1,0,1]=4 14155 B12R0.206 CCCCCCNC(=O)CCC#N 11a_100000210581_100011934036 [0,2,0,0,0,0|1,0,0]=3 14156 B12R0.206 CCCCCCNC(=O)CCC#N 1626a_100000210581_100011934036 [0,2,0,0,0,0|1,0,0]=3 14157 B12R0.206 CCCCCCNC(=O)CCC#N 240690a_100000210581_100011934036 [0,2,0,0,0,0|1,0,0]=3 14158 B12R0.206 CCCCCCNC(=O)CCC#N 527a_100000210581_100011934036 [0,2,0,0,0,0|1,0,0]=3 14159 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 14160 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 14161 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 14162 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 14163 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 14164 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 14165 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 14166 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 14167 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 14168 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 14169 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 14170 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 14171 B12R0.206 CCCCCCNC(=O)CN=[N+]=[N-] 11a_100000210581_100000751907 [0,2,0,0,0,0|2,0,0]=4 14172 B12R0.206 CCCCCCNC(=O)CN=[N+]=[N-] 240690a_100000210581_100000751907 [0,2,0,0,0,0|2,0,0]=4 14173 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,2,0,0,0,0|1,0,0]=3 14174 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 14175 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 14176 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 14177 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,2,0,0,0,0|1,0,0]=3 14178 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,2,0,0,0,0|1,0,0]=3 14179 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,2,0,0,0,0|1,0,0]=3 14180 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,2,0,0,0,0|1,0,0]=3 14181 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,2,0,0,0,0|1,0,0]=3 14182 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,2,0,0,0,0|1,0,0]=3 14183 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,2,0,0,0,0|1,0,0]=3 14184 B12R0.206 CCCCCCNC(=O)CSCF 62a_100000230325_100015361967 [0,2,0,0,0,0|1,0,0]=3 14185 B12R0.206 CCCCCCNC(=O)NCC#N 2708a_100000734998_100000210581 [0,2,0,0,0,0|1,0,1]=4 14186 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000210581_100000734998 [0,2,0,0,0,0|1,0,1]=4 14187 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000734998_100000210581 [0,2,0,0,0,0|1,0,1]=4 14188 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000210581_100000734998 [0,2,0,0,0,0|1,0,1]=4 14189 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000734998_100000210581 [0,2,0,0,0,0|1,0,1]=4 14190 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 14191 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 14192 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 14193 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 14194 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 14195 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 14196 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,2,0,0,0,0|1,0,0]=3 14197 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,2,0,0,0,0|1,0,0]=3 14198 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,2,0,0,0,0|1,0,0]=3 14199 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,2,0,0,0,0|1,0,0]=3 14200 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 14201 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,2,0,0,0,0|1,0,0]=3 14202 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 14203 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 14204 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,2,0,0,0,0|1,0,0]=3 14205 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,2,0,0,0,0|1,0,0]=3 14206 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,2,0,0,0,0|1,0,0]=3 14207 B12R0.206 CCCCCNCC(=O)NCC#N 2230a_100000209983_100000736037 [0,2,0,0,0,0|1,0,1]=4 14208 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,2,0,0,0,0|1,0,0]=3 14209 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,2,0,0,0,0|1,0,0]=3 14210 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,2,0,0,0,0|1,0,0]=3 14211 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,2,0,0,0,0|1,0,0]=3 14212 B12R0.206 CCCCCNNC(=O)CCC#N 22a_100000694160_100011934036 [0,2,0,0,0,0|2,0,0]=4 14213 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,2,0,0,0,0|2,0,0]=4 14214 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,2,0,0,0,0|2,0,0]=4 14215 B12R0.206 CCCCCNNC(=O)CCSC 22a_100000694160_100000174002 [0,2,0,0,0,0|2,0,0]=4 14216 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,2,0,0,0,0|2,0,0]=4 14217 B12R0.206 CCCCCNNC(=O)CSCC 22a_100000694160_100000230394 [0,2,0,0,0,0|2,0,0]=4 14218 B12R0.206 CCCCCNNC(=O)NCCC 273464a_100020643023_100000694160 [0,2,0,0,0,0|2,0,0]=4 14219 B12R0.206 CCCCCNNC(=O)NCCC 512a_100000694160_100020643023 [0,2,0,0,0,0|2,0,0]=4 14220 B12R0.206 CCCCCNNC(=O)NCCC 512a_100020643023_100000694160 [0,2,0,0,0,0|2,0,0]=4 14221 B12R0.206 CCCCCNNC(=O)NCCF 273464a_100000724931_100000694160 [0,2,0,0,0,0|2,0,0]=4 14222 B12R0.206 CCCCCNNC(=O)NCCF 512a_100000694160_100000724931 [0,2,0,0,0,0|2,0,0]=4 14223 B12R0.206 CCCCCNNC(=O)NCCO 273464a_100000210304_100000694160 [0,2,0,0,0,0|2,0,0]=4 14224 B12R0.206 CCCCCNNC(=O)NCCO 512a_100000694160_100000210304 [0,2,0,0,0,0|2,0,0]=4 14225 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000694160_100000756455 [0,2,0,0,0,0|2,0,0]=4 14226 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000756455_100000694160 [0,2,0,0,0,0|2,0,0]=4 14227 B12R0.206 CCCCCOCC(=O)NCC#N 7a_100000210253_100000736037 [0,2,0,0,0,0|1,0,1]=4 14228 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,2,0,0,0,0|1,0,0]=3 14229 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,2,0,0,0,0|1,0,0]=3 14230 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,2,0,0,0,0|1,0,0]=3 14231 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,2,0,0,0,0|1,0,0]=3 14232 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000210326_100000736037 [0,2,0,0,0,0|1,0,1]=4 14233 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000736037_100000210326 [0,2,0,0,0,0|1,0,1]=4 14234 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,2,0,0,0,0|1,0,0]=3 14235 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,2,0,0,0,0|1,0,0]=3 14236 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,2,0,0,0,0|1,0,0]=3 14237 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,2,0,0,0,0|1,0,0]=3 14238 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,2,0,0,0,0|2,0,0]=4 14239 B12R0.206 CCCCOCCC(=O)C#CCO 1458a_100000049017_100000743108 [0,2,0,0,0,0|1,0,1]=4 14240 B12R0.206 CCCCOCCC(=O)C=COC 1458a_100016268678_100000743108 [0,2,0,0,0,0|1,0,1]=4 14241 B12R0.206 CCCCOCCC(=O)CCC#N 1458a_100011934036_100000743108 [0,2,0,0,0,0|1,0,0]=3 14242 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,2,0,0,0,0|1,0,0]=3 14243 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,2,0,0,0,0|1,0,0]=3 14244 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,2,0,0,0,0|1,0,0]=3 14245 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,2,0,0,0,0|1,0,0]=3 14246 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [0,2,0,0,0,0|1,0,0]=3 14247 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,2,0,0,0,0|2,0,0]=4 14248 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,2,0,0,0,0|2,0,0]=4 14249 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,2,0,0,0,0|2,0,0]=4 14250 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,2,0,0,0,0|1,0,0]=3 14251 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 14252 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 14253 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 14254 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 14255 B12R0.206 CCCNC(=O)CCCNCCO 2230a_100016997473_100011194427 [0,2,0,0,0,0|2,0,0]=4 14256 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,2,0,0,0,0|1,0,0]=3 14257 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,2,0,0,0,0|1,0,0]=3 14258 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011194427_100011217306 [0,2,0,0,0,0|2,0,0]=4 14259 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011217306_100011194427 [0,2,0,0,0,0|2,0,0]=4 14260 B12R0.206 CCCNC(=O)CCCSCCO 62a_100000211926_100011194427 [0,2,0,0,0,0|2,0,0]=4 14261 B12R0.206 CCCNC(=O)CCCSCCO 62a_100011194427_100000211926 [0,2,0,0,0,0|2,0,0]=4 14262 B12R0.206 CCCNC(=O)CCCSCOC 62a_100000766300_100011194427 [0,2,0,0,0,0|2,0,0]=4 14263 B12R0.206 CCCNC(=O)CCCSCOC 62a_100011194427_100000766300 [0,2,0,0,0,0|2,0,0]=4 14264 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011194427_100011218213 [0,2,0,0,0,0|2,0,0]=4 14265 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011218213_100011194427 [0,2,0,0,0,0|2,0,0]=4 14266 B12R0.206 CCCNC(=O)CCOCCOC 11a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 14267 B12R0.206 CCCNC(=O)CCOCCOC 1626a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 14268 B12R0.206 CCCNC(=O)CCOCCOC 240690a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 14269 B12R0.206 CCCNC(=O)CCOCCOC 527a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 14270 B12R0.206 CCCNC(=O)CNCCCCF 2230a_100000174927_100000729493 [0,2,0,0,0,0|2,0,0]=4 14271 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000174927_100000210776 [0,2,0,0,0,0|2,0,0]=4 14272 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000750430_100000183358 [0,2,0,0,0,0|2,0,0]=4 14273 B12R0.206 CCCNC(=O)CNCCCCO 34a_100000750430_100000183358 [0,2,0,0,0,0|2,0,0]=4 14274 B12R0.206 CCCNC(=O)CNCCCOC 2230a_100000174927_100000740836 [0,2,0,0,0,0|2,0,0]=4 14275 B12R0.206 CCCNC(=O)CNCCCOC 34a_100150723488_100000183358 [0,2,0,0,0,0|2,0,0]=4 14276 B12R0.206 CCCNC(=O)CNCCCSC 2230a_100000749238_100000183358 [0,2,0,0,0,0|2,0,0]=4 14277 B12R0.206 CCCNC(=O)CNCCOCC 2230a_100000174927_100011215890 [0,2,0,0,0,0|2,0,0]=4 14278 B12R0.206 CCCNC(=O)CNCCOCC 2230a_102516460346_100000183358 [0,2,0,0,0,0|2,0,0]=4 14279 B12R0.206 CCCNC(=O)CNCCOCC 34a_102516460346_100000183358 [0,2,0,0,0,0|2,0,0]=4 14280 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000106463_100000183358 [0,2,0,0,0,0|2,0,0]=4 14281 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000174927_100000757381 [0,2,0,0,0,0|2,0,0]=4 14282 B12R0.206 CCCNC(=O)COCCCCBr 34a_100011216708_100000183358 [0,2,0,0,0,0|2,0,0]=4 14283 B12R0.206 CCCNC(=O)COCCCCCl 34a_100000210776_100000183358 [0,2,0,0,0,0|2,0,0]=4 14284 B12R0.206 CCCNC(=O)COCCCCCl 7a_100000210776_100000183358 [0,2,0,0,0,0|2,0,0]=4 14285 B12R0.206 CCCNC(=O)COCCCCF 34a_100011995726_100000183358 [0,2,0,0,0,0|2,0,0]=4 14286 B12R0.206 CCCNC(=O)COCCCCF 7a_100011995726_100000183358 [0,2,0,0,0,0|2,0,0]=4 14287 B12R0.206 CCCNC(=O)COCCCCI 34a_200012148704_100000183358 [0,2,0,0,0,0|2,0,0]=4 14288 B12R0.206 CCCNC(=O)COCCCCN 34a_100000750430_100000183358 [0,2,0,0,0,0|2,0,0]=4 14289 B12R0.206 CCCNC(=O)COCCCNC 34a_100000213112_100000183358 [0,2,0,0,0,0|2,0,0]=4 14290 B12R0.206 CCCNC(=O)COCCCOC 34a_100000740835_100000183358 [0,2,0,0,0,0|2,0,0]=4 14291 B12R0.206 CCCNC(=O)COCCCSC 34a_100000690336_100000183358 [0,2,0,0,0,0|2,0,0]=4 14292 B12R0.206 CCCNC(=O)COCCCSC 7a_100000690336_100000183358 [0,2,0,0,0,0|2,0,0]=4 14293 B12R0.206 CCCNC(=O)COCCOCC 34a_100000210136_100000183358 [0,2,0,0,0,0|2,0,0]=4 14294 B12R0.206 CCCNC(=O)COCCOCC 7a_100000210136_100000183358 [0,2,0,0,0,0|2,0,0]=4 14295 B12R0.206 CCCNC(=O)COCCSCC 34a_100000212035_100000183358 [0,2,0,0,0,0|2,0,0]=4 14296 B12R0.206 CCCNC(=O)COCCSCC 7a_100000212035_100000183358 [0,2,0,0,0,0|2,0,0]=4 14297 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000183358_100000729493 [0,2,0,0,0,0|2,0,0]=4 14298 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000729493_100000183358 [0,2,0,0,0,0|2,0,0]=4 14299 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000183358_100000210776 [0,2,0,0,0,0|2,0,0]=4 14300 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000210776_100000183358 [0,2,0,0,0,0|2,0,0]=4 14301 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000183358_100000709357 [0,2,0,0,0,0|2,0,0]=4 14302 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000709357_100000183358 [0,2,0,0,0,0|2,0,0]=4 14303 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000183358_100011215890 [0,2,0,0,0,0|2,0,0]=4 14304 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000210147_100000183358 [0,2,0,0,0,0|2,0,0]=4 14305 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000183358_100000757381 [0,2,0,0,0,0|2,0,0]=4 14306 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000757381_100000183358 [0,2,0,0,0,0|2,0,0]=4 14307 B12R0.206 CCCNC(=O)NCCCCCO 2708a_100020643023_100000762737 [0,2,0,0,0,0|2,0,0]=4 14308 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100000762737_100020643023 [0,2,0,0,0,0|2,0,0]=4 14309 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100020643023_100000762737 [0,2,0,0,0,0|2,0,0]=4 14310 B12R0.206 CCCNC(=O)NCCCCCO 512a_100000762737_100020643023 [0,2,0,0,0,0|2,0,0]=4 14311 B12R0.206 CCCNC(=O)NCCCCCO 512a_100020643023_100000762737 [0,2,0,0,0,0|2,0,0]=4 14312 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100000210961_100020643023 [0,2,0,0,0,0|2,0,0]=4 14313 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100020643023_100000210961 [0,2,0,0,0,0|2,0,0]=4 14314 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100000210961_100020643023 [0,2,0,0,0,0|2,0,0]=4 14315 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100020643023_100000210961 [0,2,0,0,0,0|2,0,0]=4 14316 B12R0.206 CCCNC(=O)NCCCOCC 512a_100000210961_100020643023 [0,2,0,0,0,0|2,0,0]=4 14317 B12R0.206 CCCNC(=O)NCCCOCC 512a_100020643023_100000210961 [0,2,0,0,0,0|2,0,0]=4 14318 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100020643023_100161115042 [0,2,0,0,0,0|2,0,0]=4 14319 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100161115042_100020643023 [0,2,0,0,0,0|2,0,0]=4 14320 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100020643023_100161115042 [0,2,0,0,0,0|2,0,0]=4 14321 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100161115042_100020643023 [0,2,0,0,0,0|2,0,0]=4 14322 B12R0.206 CCCNC(=O)NCCOCCC 512a_100020643023_100161115042 [0,2,0,0,0,0|2,0,0]=4 14323 B12R0.206 CCCNC(=O)NCCOCCC 512a_100161115042_100020643023 [0,2,0,0,0,0|2,0,0]=4 14324 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020603323_100020643023 [0,2,0,0,0,0|2,0,0]=4 14325 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020643023_100020603323 [0,2,0,0,0,0|2,0,0]=4 14326 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020603323_100020643023 [0,2,0,0,0,0|2,0,0]=4 14327 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020643023_100020603323 [0,2,0,0,0,0|2,0,0]=4 14328 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020603323_100020643023 [0,2,0,0,0,0|2,0,0]=4 14329 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020643023_100020603323 [0,2,0,0,0,0|2,0,0]=4 14330 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,2,0,0,0,0|2,0,0]=4 14331 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,2,0,0,0,0|2,0,0]=4 14332 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,2,0,0,0,0|2,0,0]=4 14333 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,2,0,0,0,0|2,0,0]=4 14334 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,2,0,0,0,0|2,0,0]=4 14335 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,2,0,0,0,0|2,0,0]=4 14336 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,2,0,0,0,0|2,0,0]=4 14337 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,2,0,0,0,0|2,0,0]=4 14338 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,2,0,0,0,0|2,0,0]=4 14339 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,2,0,0,0,0|2,0,0]=4 14340 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,2,0,0,0,0|2,0,0]=4 14341 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,2,0,0,0,0|2,0,0]=4 14342 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,2,0,0,0,0|2,0,0]=4 14343 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,2,0,0,0,0|2,0,0]=4 14344 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,2,0,0,0,0|2,0,0]=4 14345 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,2,0,0,0,0|2,0,0]=4 14346 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,2,0,0,0,0|2,0,0]=4 14347 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,2,0,0,0,0|2,0,0]=4 14348 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,2,0,0,0,0|2,0,0]=4 14349 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,2,0,0,0,0|2,0,0]=4 14350 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,2,0,0,0,0|2,0,0]=4 14351 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,2,0,0,0,0|2,0,0]=4 14352 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,2,0,0,0,0|2,0,0]=4 14353 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,2,0,0,0,0|2,0,0]=4 14354 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,2,0,0,0,0|2,0,0]=4 14355 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,2,0,0,0,0|2,0,0]=4 14356 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,2,0,0,0,0|2,0,0]=4 14357 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,2,0,0,0,0|2,0,0]=4 14358 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,2,0,0,0,0|2,0,0]=4 14359 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,2,0,0,0,0|2,0,0]=4 14360 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,2,0,0,0,0|2,0,0]=4 14361 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,2,0,0,0,0|2,0,0]=4 14362 B12R0.206 CCCOCCNC(=O)CCC#N 1626a_100161115042_100011934036 [0,2,0,0,0,0|2,0,0]=4 14363 B12R0.206 CCCOCCNC(=O)CCC#N 240690a_100161115042_100011934036 [0,2,0,0,0,0|2,0,0]=4 14364 B12R0.206 CCCOCCNC(=O)CCC#N 527a_100161115042_100011934036 [0,2,0,0,0,0|2,0,0]=4 14365 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 14366 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 14367 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 14368 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 14369 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 14370 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 14371 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 14372 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 14373 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 14374 B12R0.206 CCCOCCNC(=O)CSCC 1626a_100161115042_100000230394 [0,2,0,0,0,0|2,0,0]=4 14375 B12R0.206 CCCOCCNC(=O)CSCC 240690a_100161115042_100000230394 [0,2,0,0,0,0|2,0,0]=4 14376 B12R0.206 CCCOCCNC(=O)CSCC 527a_100161115042_100000230394 [0,2,0,0,0,0|2,0,0]=4 14377 B12R0.206 CCCOCCNC(=O)NCCF 2708a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 14378 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100000724931_100161115042 [0,2,0,0,0,0|2,0,0]=4 14379 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 14380 B12R0.206 CCCOCCNC(=O)NCCF 512a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 14381 B12R0.206 CCCOCCNC(=O)NCCO 2708a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 14382 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100000210304_100161115042 [0,2,0,0,0,0|2,0,0]=4 14383 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 14384 B12R0.206 CCCOCCNC(=O)NCCO 512a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 14385 B12R0.206 CCCOCCNC(=O)NNCC 273464a_100161115042_100000756455 [0,2,0,0,0,0|2,0,0]=4 14386 B12R0.206 CCCOCCNC(=O)NNCC 512a_100000756455_100161115042 [0,2,0,0,0,0|2,0,0]=4 14387 B12R0.206 CCCOCCNC(=O)NNCC 512a_100161115042_100000756455 [0,2,0,0,0,0|2,0,0]=4 14388 B12R0.206 CCCSCCNC(=O)CCC#N 11a_100020603323_100011934036 [0,2,0,0,0,0|2,0,0]=4 14389 B12R0.206 CCCSCCNC(=O)CCC#N 240690a_100020603323_100011934036 [0,2,0,0,0,0|2,0,0]=4 14390 B12R0.206 CCCSCCNC(=O)CCC#N 527a_100020603323_100011934036 [0,2,0,0,0,0|2,0,0]=4 14391 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 14392 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 14393 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 14394 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 14395 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 14396 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 14397 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 14398 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 14399 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 14400 B12R0.206 CCCSCCNC(=O)CSCC 11a_100020603323_100000230394 [0,2,0,0,0,0|2,0,0]=4 14401 B12R0.206 CCCSCCNC(=O)CSCC 240690a_100020603323_100000230394 [0,2,0,0,0,0|2,0,0]=4 14402 B12R0.206 CCCSCCNC(=O)CSCC 527a_100020603323_100000230394 [0,2,0,0,0,0|2,0,0]=4 14403 B12R0.206 CCCSCCNC(=O)NCCF 2708a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 14404 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100000724931_100020603323 [0,2,0,0,0,0|2,0,0]=4 14405 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 14406 B12R0.206 CCCSCCNC(=O)NCCF 512a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 14407 B12R0.206 CCCSCCNC(=O)NCCO 2708a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 14408 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100000210304_100020603323 [0,2,0,0,0,0|2,0,0]=4 14409 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 14410 B12R0.206 CCCSCCNC(=O)NCCO 512a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 14411 B12R0.206 CCCSCCNC(=O)NNCC 273464a_100020603323_100000756455 [0,2,0,0,0,0|2,0,0]=4 14412 B12R0.206 CCCSCCNC(=O)NNCC 512a_100000756455_100020603323 [0,2,0,0,0,0|2,0,0]=4 14413 B12R0.206 CCCSCCNC(=O)NNCC 512a_100020603323_100000756455 [0,2,0,0,0,0|2,0,0]=4 14414 B12R0.206 CCNNC(=O)CCCCCOC 22a_100000756455_100011935119 [0,2,0,0,0,0|1,0,0]=3 14415 B12R0.206 CCNNC(=O)CCOCCOC 22a_100000756455_100000745395 [0,2,0,0,0,0|2,0,0]=4 14416 B12R0.206 CCNNC(=O)NCCCCCO 273464a_100000762737_100000756455 [0,2,0,0,0,0|2,0,0]=4 14417 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000756455_100000762737 [0,2,0,0,0,0|2,0,0]=4 14418 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000762737_100000756455 [0,2,0,0,0,0|2,0,0]=4 14419 B12R0.206 CCNNC(=O)NCCCOCC 273464a_100000210961_100000756455 [0,2,0,0,0,0|2,0,0]=4 14420 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000210961_100000756455 [0,2,0,0,0,0|2,0,0]=4 14421 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000756455_100000210961 [0,2,0,0,0,0|2,0,0]=4 14422 B12R0.206 CCOCC(=O)CCCCCC#N 1458a_100000211967_100009813376 [0,2,0,0,0,0|1,0,1]=4 14423 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,2,0,0,0,0|1,0,0]=3 14424 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,2,0,0,0,0|1,0,0]=3 14425 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [0,2,0,0,0,0|2,0,0]=4 14426 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,2,0,0,0,0|2,0,0]=4 14427 B12R0.206 CCOCCCNC(=O)CCC#N 11a_100000210961_100011934036 [0,2,0,0,0,0|2,0,0]=4 14428 B12R0.206 CCOCCCNC(=O)CCC#N 1626a_100000210961_100011934036 [0,2,0,0,0,0|2,0,0]=4 14429 B12R0.206 CCOCCCNC(=O)CCC#N 240690a_100000210961_100011934036 [0,2,0,0,0,0|2,0,0]=4 14430 B12R0.206 CCOCCCNC(=O)CCC#N 527a_100000210961_100011934036 [0,2,0,0,0,0|2,0,0]=4 14431 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 14432 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 14433 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 14434 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 14435 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 14436 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 14437 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 14438 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 14439 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 14440 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 14441 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 14442 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 14443 B12R0.206 CCOCCCNC(=O)CSCC 11a_100000210961_100000230394 [0,2,0,0,0,0|2,0,0]=4 14444 B12R0.206 CCOCCCNC(=O)CSCC 1626a_100000210961_100000230394 [0,2,0,0,0,0|2,0,0]=4 14445 B12R0.206 CCOCCCNC(=O)CSCC 240690a_100000210961_100000230394 [0,2,0,0,0,0|2,0,0]=4 14446 B12R0.206 CCOCCCNC(=O)CSCC 527a_100000210961_100000230394 [0,2,0,0,0,0|2,0,0]=4 14447 B12R0.206 CCOCCCNC(=O)NCCF 2708a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 14448 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 14449 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000724931_100000210961 [0,2,0,0,0,0|2,0,0]=4 14450 B12R0.206 CCOCCCNC(=O)NCCF 512a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 14451 B12R0.206 CCOCCCNC(=O)NCCO 2708a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 14452 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210304_100000210961 [0,2,0,0,0,0|2,0,0]=4 14453 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 14454 B12R0.206 CCOCCCNC(=O)NCCO 512a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 14455 B12R0.206 CCOCCNCC(=O)NCCF 2230a_100000725713_100011215890 [0,2,0,0,0,0|2,0,0]=4 14456 B12R0.206 CCSCC(=O)CCCCCC#N 1458a_100000230394_100009813376 [0,2,0,0,0,0|1,0,1]=4 14457 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,2,0,0,0,0|1,0,0]=3 14458 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,2,0,0,0,0|1,0,0]=3 14459 B12R0.206 CCSCC(=O)CCOCCOC 1458a_100000230394_100000695917 [0,2,0,0,0,0|2,0,0]=4 14460 B12R0.206 CCSCC(=O)NCCCCCO 240690a_100000762737_100000230394 [0,2,0,0,0,0|2,0,0]=4 14461 B12R0.206 CCSCCNCC(=O)NCCF 2230a_100000725713_100000757381 [0,2,0,0,0,0|2,0,0]=4 14462 B12R0.206 COC=CC(=O)CCCCCCF 1458a_100016268678_100015922095 [0,2,0,0,0,0|1,0,1]=4 14463 B12R0.206 COC=CC(=O)CCCCCCO 1458a_100016268678_100000766143 [0,2,0,0,0,0|1,0,1]=4 14464 B12R0.206 COCCC(=O)CCCCCC#N 1458a_100000749529_100009813376 [0,2,0,0,0,0|1,0,1]=4 14465 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,2,0,0,0,0|1,0,0]=3 14466 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,2,0,0,0,0|1,0,0]=3 14467 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,2,0,0,0,0|1,0,0]=3 14468 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,2,0,0,0,0|2,0,0]=4 14469 B12R0.206 COCCCCCC(=O)CCC#N 1458a_100011935119_100011215226 [0,2,0,0,0,0|1,0,0]=3 14470 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,2,0,0,0,0|1,0,0]=3 14471 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,2,0,0,0,0|1,0,0]=3 14472 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,2,0,0,0,0|1,0,0]=3 14473 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,2,0,0,0,0|1,0,0]=3 14474 B12R0.206 COCCCCCC(=O)NCC#N 1626a_100000734998_100011935119 [0,2,0,0,0,0|1,0,1]=4 14475 B12R0.206 COCCCCCC(=O)NCC#N 527a_100000734998_100011935119 [0,2,0,0,0,0|1,0,1]=4 14476 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [0,2,0,0,0,0|1,0,0]=3 14477 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [0,2,0,0,0,0|1,0,0]=3 14478 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [0,2,0,0,0,0|1,0,0]=3 14479 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [0,2,0,0,0,0|1,0,0]=3 14480 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,2,0,0,0,0|1,0,0]=3 14481 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,2,0,0,0,0|1,0,0]=3 14482 B12R0.206 COCCCNCC(=O)NCCF 2230a_100000725713_100000740836 [0,2,0,0,0,0|2,0,0]=4 14483 B12R0.206 COCCOCCC(=O)CCC#N 1458a_100000745395_100011215226 [0,2,0,0,0,0|2,0,0]=4 14484 B12R0.206 COCCOCCC(=O)CCC#N 1458a_100011934036_100000695917 [0,2,0,0,0,0|2,0,0]=4 14485 B12R0.206 COCCOCCC(=O)CCCF 1458a_100000745395_100011934791 [0,2,0,0,0,0|2,0,0]=4 14486 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,2,0,0,0,0|2,0,0]=4 14487 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000745395_100000233755 [0,2,0,0,0,0|2,0,0]=4 14488 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000749529_100000695917 [0,2,0,0,0,0|2,0,0]=4 14489 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000174002_100000695917 [0,2,0,0,0,0|2,0,0]=4 14490 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000745395_100000751147 [0,2,0,0,0,0|2,0,0]=4 14491 B12R0.206 COCCOCCC(=O)NCCF 11a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 14492 B12R0.206 COCCOCCC(=O)NCCF 1626a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 14493 B12R0.206 COCCOCCC(=O)NCCF 240690a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 14494 B12R0.206 COCCOCCC(=O)NCCF 527a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 14495 B12R0.206 COCCOCCC(=O)NCCO 240690a_100000210304_100000745395 [0,2,0,0,0,0|2,0,0]=4 14496 B12R0.206 COCCOCCC(=O)NCCO 527a_100000210304_100000745395 [0,2,0,0,0,0|2,0,0]=4 14497 B12R0.206 CSCCC(=O)CCCCCC#N 1458a_100000174002_100009813376 [0,2,0,0,0,0|1,0,1]=4 14498 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,2,0,0,0,0|1,0,0]=3 14499 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,2,0,0,0,0|1,0,0]=3 14500 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,2,0,0,0,0|1,0,0]=3 14501 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,2,0,0,0,0|2,0,0]=4 14502 B12R0.206 N#CCCC(=O)CCCCCCF 1458a_100011934036_100015922095 [0,2,0,0,0,0|1,0,0]=3 14503 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,2,0,0,0,0|1,0,0]=3 14504 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,2,0,0,0,0|1,0,0]=3 14505 B12R0.206 N#CCCC(=O)NCCCCCO 240690a_100000762737_100011934036 [0,2,0,0,0,0|2,0,0]=4 14506 B12R0.206 N#CCCCCCC(=O)CCC#N 1458a_100011934036_100009813376 [0,2,0,0,0,0|1,0,1]=4 14507 B12R0.206 O=C(C#CCO)CCCCCCF 1458a_100000049017_100015922095 [0,2,0,0,0,0|1,0,1]=4 14508 B12R0.206 O=C(C#CCO)CCCCCCO 1458a_100000049017_100000766143 [0,2,0,0,0,0|1,0,1]=4 14509 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,2,0,0,0,0|1,0,0]=3 14510 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,2,0,0,0,0|1,0,0]=3 14511 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,2,0,0,0,0|1,0,0]=3 14512 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,2,0,0,0,0|1,0,0]=3 14513 B12R0.206 O=C(CNCCCCF)NCCF 2230a_100000725713_100000729493 [0,2,0,0,0,0|2,0,0]=4 14514 B12R0.206 O=C(CNCCCCO)NCCF 2230a_100000725713_100000210776 [0,2,0,0,0,0|2,0,0]=4 14515 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000724931_100000762737 [0,2,0,0,0,0|2,0,0]=4 14516 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000762737_100000724931 [0,2,0,0,0,0|2,0,0]=4 14517 B12R0.206 O=C(NCCF)NCCCCCO 512a_100000762737_100000724931 [0,2,0,0,0,0|2,0,0]=4 14518 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000210304_100000762737 [0,2,0,0,0,0|2,0,0]=4 14519 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 14520 B12R0.206 O=C(NCCO)NCCCCCO 512a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 14521 B12R0.239 C#CCC(=O)CC(=O)CCCCC 1458a_100011220946_200012276598 [0,2,0,0,0,0|0,0,2]=4 14522 B12R0.239 C#CCC(=O)NC(C)CCCCC 1626a_100000211957_100011220946 [0,2,0,0,0,0|1,0,1]=4 14523 B12R0.239 C#CCC(=O)NC(C)CCCCC 527a_100000211957_100011220946 [0,2,0,0,0,0|1,0,1]=4 14524 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,2,0,0,0,0|1,0,1]=4 14525 B12R0.239 C=CCC(=O)CC(=O)CCCCC 1458a_100000210193_200012276598 [0,2,0,0,0,0|0,0,2]=4 14526 B12R0.239 C=CCC(=O)NC(C)CCCCC 11a_100000211957_100000210193 [0,2,0,0,0,0|1,0,1]=4 14527 B12R0.239 C=CCC(=O)NC(C)CCCCC 1626a_100000211957_100000210193 [0,2,0,0,0,0|1,0,1]=4 14528 B12R0.239 C=CCC(=O)NC(C)CCCCC 240690a_100000211957_100000210193 [0,2,0,0,0,0|1,0,1]=4 14529 B12R0.239 C=CCC(=O)NC(C)CCCCC 527a_100000211957_100000210193 [0,2,0,0,0,0|1,0,1]=4 14530 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,2,0,0,0,0|0,0,2]=4 14531 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,2,0,0,0,0|0,0,2]=4 14532 B12R0.239 CC=CC(=O)NC(C)CCCCC 11a_100000211957_100000210699 [0,2,0,0,0,0|1,0,1]=4 14533 B12R0.239 CC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000210699 [0,2,0,0,0,0|1,0,1]=4 14534 B12R0.239 CC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000210699 [0,2,0,0,0,0|1,0,1]=4 14535 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,2,0,0,0,0|1,0,1]=4 14536 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,2,0,0,0,0|1,0,1]=4 14537 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,2,0,0,0,0|1,0,1]=4 14538 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,2,0,0,0,0|1,0,1]=4 14539 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,2,0,0,0,0|1,0,1]=4 14540 B12R0.239 CCCC(=O)CN(C)CCCCO 2230a_100000717598_100000747444 [0,2,0,0,0,0|2,0,0]=4 14541 B12R0.239 CCCC(=O)CN(C)CCCCO 269982a_100000717598_100000747444 [0,2,0,0,0,0|2,0,0]=4 14542 B12R0.239 CCCC(=O)CN(C)CCCOC 2230a_100000224831_100000747444 [0,2,0,0,0,0|2,0,0]=4 14543 B12R0.239 CCCC(=O)CN(C)CCCOC 269982a_100000224831_100000747444 [0,2,0,0,0,0|2,0,0]=4 14544 B12R0.239 CCCCCC(=O)CC(=O)CC#N 1458a_100051588842_200012276598 [0,2,0,0,0,0|0,0,2]=4 14545 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,2,0,0,0,0|0,0,1]=3 14546 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,2,0,0,0,0|0,0,1]=3 14547 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|0,0,1]=3 14548 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,2,0,0,0,0|0,0,1]=3 14549 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,2,0,0,0,0|0,0,1]=3 14550 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|0,0,1]=3 14551 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,2,0,0,0,0|1,0,1]=4 14552 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|0,0,1]=3 14553 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|0,0,1]=3 14554 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,2,0,0,0,0|1,0,1]=4 14555 B12R0.239 CCCCCC(C)NC(=O)CC#N 1626a_100000211957_100051588842 [0,2,0,0,0,0|1,0,1]=4 14556 B12R0.239 CCCCCC(C)NC(=O)CC#N 240690a_100000211957_100051588842 [0,2,0,0,0,0|1,0,1]=4 14557 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 14558 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 14559 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 14560 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 14561 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,2,0,0,0,0|1,0,0]=3 14562 B12R0.239 CCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230335 [0,2,0,0,0,0|1,0,0]=3 14563 B12R0.239 CCCCCC(C)NC(=O)CNC 34a_100102657272_100000230335 [0,2,0,0,0,0|1,0,0]=3 14564 B12R0.239 CCCCCC(C)NC(=O)CNC 7a_106832991635_100000230335 [0,2,0,0,0,0|1,0,0]=3 14565 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,2,0,0,0,0|1,0,0]=3 14566 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,2,0,0,0,0|1,0,0]=3 14567 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,2,0,0,0,0|1,0,0]=3 14568 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,2,0,0,0,0|1,0,0]=3 14569 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,2,0,0,0,0|1,0,0]=3 14570 B12R0.239 CCCCCC(C)NC(=O)CSC 11a_100000211957_100000184570 [0,2,0,0,0,0|1,0,0]=3 14571 B12R0.239 CCCCCC(C)NC(=O)CSC 1626a_100000211957_100000184570 [0,2,0,0,0,0|1,0,0]=3 14572 B12R0.239 CCCCCC(C)NC(=O)CSC 240690a_100000211957_100000184570 [0,2,0,0,0,0|1,0,0]=3 14573 B12R0.239 CCCCCC(C)NC(=O)CSC 527a_100000211957_100000184570 [0,2,0,0,0,0|1,0,0]=3 14574 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_100000230335_200000210301 [0,2,0,0,0,0|1,0,0]=3 14575 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_200000210301_100000230335 [0,2,0,0,0,0|1,0,0]=3 14576 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_100000230335_200025704644 [0,2,0,0,0,0|1,0,0]=3 14577 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230335 [0,2,0,0,0,0|1,0,0]=3 14578 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,2,0,0,0,0|1,0,0]=3 14579 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,2,0,0,0,0|1,0,0]=3 14580 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,2,0,0,0,0|1,0,0]=3 14581 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,2,0,0,0,0|1,0,0]=3 14582 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,2,0,0,0,0|1,0,0]=3 14583 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,2,0,0,0,0|1,0,0]=3 14584 B12R0.239 CCCCCC(C)NC(=O)NNC 273464a_100000211957_100016993582 [0,2,0,0,0,0|2,0,0]=4 14585 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100000211957_100016993582 [0,2,0,0,0,0|2,0,0]=4 14586 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100016993582_100000211957 [0,2,0,0,0,0|2,0,0]=4 14587 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,2,0,0,0,0|1,0,0]=3 14588 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,2,0,0,0,0|1,0,0]=3 14589 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,2,0,0,0,0|1,0,0]=3 14590 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,2,0,0,0,0|1,0,0]=3 14591 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,2,0,0,0,0|1,0,0]=3 14592 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,2,0,0,0,0|1,0,0]=3 14593 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,2,0,0,0,0|1,0,0]=3 14594 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,2,0,0,0,0|1,0,0]=3 14595 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,2,0,0,0,0|1,0,0]=3 14596 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,2,0,0,0,0|1,0,0]=3 14597 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,2,0,0,0,0|1,0,0]=3 14598 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,2,0,0,0,0|1,0,0]=3 14599 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,2,0,0,0,0|1,0,0]=3 14600 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,2,0,0,0,0|1,0,0]=3 14601 B12R0.239 CCCCCN(C)CC(=O)NCO 2230a_100000223495_100000185155 [0,2,0,0,0,0|2,0,0]=4 14602 B12R0.239 CCCCCN(C)CC(=O)NCO 269982a_100000223495_100000185155 [0,2,0,0,0,0|2,0,0]=4 14603 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,2,0,0,0,0|1,0,0]=3 14604 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,2,0,0,0,0|1,0,0]=3 14605 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,2,0,0,0,0|1,0,0]=3 14606 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,2,0,0,0,0|1,0,1]=4 14607 B12R0.239 CCCCNC(=O)CC(=O)CCO 1458a_100011216618_100000182744 [0,2,0,0,0,0|1,0,1]=4 14608 B12R0.239 CCCCNC(=O)CC(=O)COC 1458a_100000210968_100000182744 [0,2,0,0,0,0|1,0,1]=4 14609 B12R0.239 CCCCNC(=O)CC(=O)CSC 1458a_100000184570_100000182744 [0,2,0,0,0,0|1,0,1]=4 14610 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,2,0,0,0,0|1,0,1]=4 14611 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,2,0,0,0,0|1,0,0]=3 14612 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,2,0,0,0,0|1,0,0]=3 14613 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,2,0,0,0,0|1,0,1]=4 14614 B12R0.239 CCCCOC(=O)CC(=O)CCO 1458a_100011216618_100000211628 [0,2,0,0,0,0|1,0,1]=4 14615 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,2,0,0,0,0|1,0,1]=4 14616 B12R0.239 CCCCOC(=O)CC(=O)CSC 1458a_100000184570_100000211628 [0,2,0,0,0,0|1,0,1]=4 14617 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,2,0,0,0,0|1,0,0]=3 14618 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,2,0,0,0,0|1,0,0]=3 14619 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,2,0,0,0,0|1,0,0]=3 14620 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,2,0,0,0,0|1,0,0]=3 14621 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,2,0,0,0,0|2,0,0]=4 14622 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,2,0,0,0,0|2,0,0]=4 14623 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,2,0,0,0,0|1,0,1]=4 14624 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,2,0,0,0,0|1,0,1]=4 14625 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,2,0,0,0,0|1,0,1]=4 14626 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,2,0,0,0,0|1,0,0]=3 14627 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,2,0,0,0,0|1,0,1]=4 14628 B12R0.239 CCCSCC(=O)CC(=O)NCC 1458a_100000217233_100000183381 [0,2,0,0,0,0|1,0,1]=4 14629 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,2,0,0,0,0|1,0,1]=4 14630 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,2,0,0,0,0|1,0,1]=4 14631 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,2,0,0,0,0|1,0,1]=4 14632 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,2,0,0,0,0|1,0,0]=3 14633 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,2,0,0,0,0|1,0,0]=3 14634 B12R0.239 CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183381 [0,2,0,0,0,0|1,0,1]=4 14635 B12R0.239 CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183381 [0,2,0,0,0,0|1,0,1]=4 14636 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [0,2,0,0,0,0|1,0,1]=4 14637 B12R0.239 CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183381 [0,2,0,0,0,0|1,0,1]=4 14638 B12R0.239 CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183381 [0,2,0,0,0,0|1,0,1]=4 14639 B12R0.239 CCNC(=O)CN(C)CCCCF 2230a_100000741943_100000729493 [0,2,0,0,0,0|2,0,0]=4 14640 B12R0.239 CCNC(=O)CN(C)CCCCF 269982a_100000741943_100000729493 [0,2,0,0,0,0|2,0,0]=4 14641 B12R0.239 CCNC(=O)CN(C)CCCCO 2230a_100000717598_100000183381 [0,2,0,0,0,0|2,0,0]=4 14642 B12R0.239 CCNC(=O)CN(C)CCCCO 2230a_100000741943_100000210776 [0,2,0,0,0,0|2,0,0]=4 14643 B12R0.239 CCNC(=O)CN(C)CCCCO 269982a_100000717598_100000183381 [0,2,0,0,0,0|2,0,0]=4 14644 B12R0.239 CCNC(=O)CN(C)CCCCO 269982a_100000741943_100000210776 [0,2,0,0,0,0|2,0,0]=4 14645 B12R0.239 CCNC(=O)CN(C)CCCOC 2230a_100000224831_100000183381 [0,2,0,0,0,0|2,0,0]=4 14646 B12R0.239 CCNC(=O)CN(C)CCCOC 2230a_100000741943_100000740836 [0,2,0,0,0,0|2,0,0]=4 14647 B12R0.239 CCNC(=O)CN(C)CCCOC 269982a_100000224831_100000183381 [0,2,0,0,0,0|2,0,0]=4 14648 B12R0.239 CCNC(=O)CN(C)CCCOC 269982a_100000741943_100000740836 [0,2,0,0,0,0|2,0,0]=4 14649 B12R0.239 CCNC(=O)CN(C)CCOCC 2230a_100000741943_100011215890 [0,2,0,0,0,0|2,0,0]=4 14650 B12R0.239 CCNC(=O)CN(C)CCOCC 269982a_100000741943_100011215890 [0,2,0,0,0,0|2,0,0]=4 14651 B12R0.239 CCNC(=O)CN(C)CCSCC 2230a_100000741943_100000757381 [0,2,0,0,0,0|2,0,0]=4 14652 B12R0.239 CCNC(=O)CN(C)CCSCC 269982a_100000741943_100000757381 [0,2,0,0,0,0|2,0,0]=4 14653 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,2,0,0,0,0|1,0,1]=4 14654 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,2,0,0,0,0|1,0,1]=4 14655 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,2,0,0,0,0|1,0,1]=4 14656 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,2,0,0,0,0|1,0,1]=4 14657 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,2,0,0,0,0|1,0,1]=4 14658 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,2,0,0,0,0|1,0,1]=4 14659 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,2,0,0,0,0|1,0,1]=4 14660 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,2,0,0,0,0|1,0,1]=4 14661 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,2,0,0,0,0|2,0,0]=4 14662 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,2,0,0,0,0|2,0,0]=4 14663 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,2,0,0,0,0|2,0,0]=4 14664 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,2,0,0,0,0|2,0,0]=4 14665 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,2,0,0,0,0|2,0,0]=4 14666 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,2,0,0,0,0|2,0,0]=4 14667 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,2,0,0,0,0|2,0,0]=4 14668 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,2,0,0,0,0|2,0,0]=4 14669 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,2,0,0,0,0|2,0,0]=4 14670 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,2,0,0,0,0|2,0,0]=4 14671 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,2,0,0,0,0|2,0,0]=4 14672 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,2,0,0,0,0|2,0,0]=4 14673 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,2,0,0,0,0|2,0,0]=4 14674 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,2,0,0,0,0|2,0,0]=4 14675 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,2,0,0,0,0|2,0,0]=4 14676 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,2,0,0,0,0|2,0,0]=4 14677 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,2,0,0,0,0|2,0,0]=4 14678 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,2,0,0,0,0|2,0,0]=4 14679 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,2,0,0,0,0|2,0,0]=4 14680 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,2,0,0,0,0|2,0,0]=4 14681 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,2,0,0,0,0|2,0,0]=4 14682 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,2,0,0,0,0|2,0,0]=4 14683 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,2,0,0,0,0|2,0,0]=4 14684 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,2,0,0,0,0|2,0,0]=4 14685 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [0,2,0,0,0,0|2,0,0]=4 14686 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [0,2,0,0,0,0|2,0,0]=4 14687 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,2,0,0,0,0|2,0,0]=4 14688 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,2,0,0,0,0|2,0,0]=4 14689 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [0,2,0,0,0,0|2,0,0]=4 14690 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [0,2,0,0,0,0|2,0,0]=4 14691 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [0,2,0,0,0,0|2,0,0]=4 14692 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [0,2,0,0,0,0|2,0,0]=4 14693 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [0,2,0,0,0,0|2,0,0]=4 14694 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [0,2,0,0,0,0|2,0,0]=4 14695 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [0,2,0,0,0,0|2,0,0]=4 14696 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [0,2,0,0,0,0|2,0,0]=4 14697 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,2,0,0,0,0|1,0,1]=4 14698 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,2,0,0,0,0|1,0,1]=4 14699 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,2,0,0,0,0|2,0,0]=4 14700 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,2,0,0,0,0|2,0,0]=4 14701 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,2,0,0,0,0|2,0,0]=4 14702 B12R0.276 CCC(=O)NCCNC(C)CCO 34a_100132302217_100009893172 [0,2,0,0,0,0|2,0,0]=4 14703 B12R0.276 CCC(=O)NCCNC(C)COC 270004a_100132302217_100000749346 [0,2,0,0,0,0|2,0,0]=4 14704 B12R0.276 CCC(=O)NCCNC(C)COC 34a_100132302217_100000765312 [0,2,0,0,0,0|2,0,0]=4 14705 B12R0.276 CCC(=O)NCCNC(C)CSC 270004a_100132302217_100011216314 [0,2,0,0,0,0|2,0,0]=4 14706 B12R0.276 CCC(=O)NCCOC(C)CCO 34a_200000158885_100009893172 [0,2,0,0,0,0|2,0,0]=4 14707 B12R0.276 CCC(=O)NCCOC(C)CCO 7a_200000158885_100009893172 [0,2,0,0,0,0|2,0,0]=4 14708 B12R0.276 CCC(=O)NCCOC(C)COC 34a_200000158885_100000765312 [0,2,0,0,0,0|2,0,0]=4 14709 B12R0.276 CCC(=O)NCCOC(C)COC 7a_200000158885_100000765312 [0,2,0,0,0,0|2,0,0]=4 14710 B12R0.276 CCC(=O)OCCOC(C)CCO 7a_200000031056_100009893172 [0,2,0,0,0,0|2,0,0]=4 14711 B12R0.276 CCC(=O)OCCOC(C)COC 7a_200000031056_100000765312 [0,2,0,0,0,0|2,0,0]=4 14712 B12R0.276 CCC(C)CCNCC(=O)NCO 2230a_100020591266_100000185155 [0,2,0,0,0,0|2,0,0]=4 14713 B12R0.276 CCC(C)CCOCC(=O)NCO 7a_100011215188_100000185155 [0,2,0,0,0,0|2,0,0]=4 14714 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,2,0,0,0,0|1,0,0]=3 14715 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,2,0,0,0,0|1,0,0]=3 14716 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,2,0,0,0,0|1,0,1]=4 14717 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,2,0,0,0,0|1,0,1]=4 14718 B12R0.276 CCCC(=O)CNCCC(=O)NC 2230a_100000738227_100000747444 [0,2,0,0,0,0|1,0,1]=4 14719 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,2,0,0,0,0|1,0,0]=3 14720 B12R0.276 CCCC(=O)CNCCC(C)CO 2230a_106354213184_100000747444 [0,2,0,0,0,0|2,0,0]=4 14721 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,2,0,0,0,0|1,0,0]=3 14722 B12R0.276 CCCC(=O)COCCC(C)OC 7a_100000764861_100000747444 [0,2,0,0,0,0|2,0,0]=4 14723 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000737683_100000747444 [0,2,0,0,0,0|1,0,1]=4 14724 B12R0.276 CCCC(=O)CSCCC(=O)NC 62a_100000747444_100000737683 [0,2,0,0,0,0|1,0,1]=4 14725 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000204255_100000747444 [0,2,0,0,0,0|1,0,1]=4 14726 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000747444_100000204255 [0,2,0,0,0,0|1,0,1]=4 14727 B12R0.276 CCCC(=O)NCCCC(=O)NC 11a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 14728 B12R0.276 CCCC(=O)NCCCC(=O)NC 240690a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 14729 B12R0.276 CCCC(=O)NCCCC(=O)NC 527a_100000740002_100000211992 [0,2,0,0,0,0|1,0,1]=4 14730 B12R0.276 CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211992 [0,2,0,0,0,0|1,0,1]=4 14731 B12R0.276 CCCC(=O)NCCNC(=O)CC 11a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 14732 B12R0.276 CCCC(=O)NCCNC(=O)CC 1626a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 14733 B12R0.276 CCCC(=O)NCCNC(=O)CC 240690a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 14734 B12R0.276 CCCC(=O)NCCNC(=O)CC 527a_100132302217_100000211992 [0,2,0,0,0,0|1,0,1]=4 14735 B12R0.276 CCCC(=O)OCNCC(C)CC 2230a_100020588543_100000034017 [0,2,0,0,0,0|2,0,0]=4 14736 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,2,0,0,0,0|2,0,0]=4 14737 B12R0.276 CCCC(=O)OCOCC(=O)CC 34a_100000725409_100000034017 [0,2,0,0,0,0|1,0,1]=4 14738 B12R0.276 CCCC(=O)OCSCC(=O)CC 62a_100000747405_100000034017 [0,2,0,0,0,0|1,0,1]=4 14739 B12R0.276 CCCC(=O)OCSCC(C)CC 62a_100000748023_100000034017 [0,2,0,0,0,0|2,0,0]=4 14740 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,2,0,0,0,0|2,0,0]=4 14741 B12R0.276 CCCC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000034017 [0,2,0,0,0,0|2,0,0]=4 14742 B12R0.276 CCCC(C)CCCOC(C)CC 34a_100011713154_100011215416 [0,2,0,0,0,0|1,0,1]=4 14743 B12R0.276 CCCC(C)CCCOC(C)CC 7a_100011713154_100000758301 [0,2,0,0,0,0|1,0,1]=4 14744 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,2,0,0,0,0|0,0,0]=2 14745 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,2,0,0,0,0|1,0,0]=3 14746 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,2,0,0,0,0|1,0,0]=3 14747 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,2,0,0,0,0|1,0,0]=3 14748 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,2,0,0,0,0|1,0,0]=3 14749 B12R0.276 CCCC(C)CCOCC(C)CC 34a_100011217855_100000748023 [0,2,0,0,0,0|1,0,1]=4 14750 B12R0.276 CCCC(C)CCOCC(C)CC 7a_100011217855_100000748023 [0,2,0,0,0,0|1,0,1]=4 14751 B12R0.276 CCCC(C)CCOCC(O)CC 34a_100011217855_100011218378 [0,2,0,0,0,0|0,0,2]=4 14752 B12R0.276 CCCC(C)CCOCC(O)CC 7a_100011217855_100011218378 [0,2,0,0,0,0|0,0,2]=4 14753 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 34a_100011217855_100009816398 [0,2,0,0,0,0|1,0,1]=4 14754 B12R0.276 CCCC(C)CCOC[C@@H](C)CC 7a_100011217855_100009816398 [0,2,0,0,0,0|1,0,1]=4 14755 B12R0.276 CCCC(C)CNCCC(=O)NC 2230a_100000738227_100011216630 [0,2,0,0,0,0|1,0,0]=3 14756 B12R0.276 CCCC(C)CNCCC(=O)NC 270004a_100000738227_100000243154 [0,2,0,0,0,0|1,0,0]=3 14757 B12R0.276 CCCC(C)CNCCC(=O)NC 34a_100000738227_100011216630 [0,2,0,0,0,0|1,0,0]=3 14758 B12R0.276 CCCC(C)CNCCC(C)CC 2230a_100020591266_100011216630 [0,2,0,0,0,0|1,0,1]=4 14759 B12R0.276 CCCC(C)CNCCC(C)CC 270004a_100020591266_100000243154 [0,2,0,0,0,0|1,0,1]=4 14760 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000688023_100012179268 [0,2,0,0,0,0|1,0,0]=3 14761 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000754576_100011216630 [0,2,0,0,0,0|1,0,0]=3 14762 B12R0.276 CCCC(C)COCCC(=O)NC 7a_100000688023_100000737683 [0,2,0,0,0,0|1,0,0]=3 14763 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,2,0,0,0,0|1,0,0]=3 14764 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,2,0,0,0,0|1,0,0]=3 14765 B12R0.276 CCCC(C)COCCC(C)CC 7a_100011215188_100011216630 [0,2,0,0,0,0|1,0,1]=4 14766 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100000737683_100011216630 [0,2,0,0,0,0|1,0,0]=3 14767 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100011216630_100000737683 [0,2,0,0,0,0|1,0,0]=3 14768 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,2,0,0,0,0|1,0,0]=3 14769 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,2,0,0,0,0|1,0,0]=3 14770 B12R0.276 CCCC(C)CSCOC(=O)OC 62a_100011216630_100000139417 [0,2,0,0,0,0|2,0,0]=4 14771 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000740002_100000766640 [0,2,0,0,0,0|1,0,0]=3 14772 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000741246_100000741757 [0,2,0,0,0,0|1,0,0]=3 14773 B12R0.276 CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000211909 [0,2,0,0,0,0|1,0,0]=3 14774 B12R0.276 CCCC(C)NCCCC(=O)NC 34a_100000740002_100000766640 [0,2,0,0,0,0|1,0,0]=3 14775 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,2,0,0,0,0|1,0,0]=3 14776 B12R0.276 CCCC(C)NCCCN(C)CC 2230a_100000741246_100015186262 [0,2,0,0,0,0|2,0,0]=4 14777 B12R0.276 CCCC(C)NCCNC(=O)CC 270004a_100132302217_100000211909 [0,2,0,0,0,0|1,0,0]=3 14778 B12R0.276 CCCC(C)NCCNC(=O)CC 34a_100132302217_100000766640 [0,2,0,0,0,0|1,0,0]=3 14779 B12R0.276 CCCC(C)NCCNC(=O)NC 34a_100015205895_100000766640 [0,2,0,0,0,0|2,0,0]=4 14780 B12R0.276 CCCC(C)OCCCC(=O)NC 34a_100000764384_100000741757 [0,2,0,0,0,0|1,0,0]=3 14781 B12R0.276 CCCC(C)OCCCC(=O)NC 7a_100000764384_100000741757 [0,2,0,0,0,0|1,0,0]=3 14782 B12R0.276 CCCC(C)OCCCC(=O)NN 34a_100000211488_100000766640 [0,2,0,0,0,0|2,0,0]=4 14783 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,2,0,0,0,0|1,0,0]=3 14784 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,2,0,0,0,0|1,0,0]=3 14785 B12R0.276 CCCC(C)OCCCC(C)CC 7a_100011216074_100000766640 [0,2,0,0,0,0|1,0,1]=4 14786 B12R0.276 CCCC(C)OCCCN(C)CC 7a_100000764384_100015186262 [0,2,0,0,0,0|2,0,0]=4 14787 B12R0.276 CCCC(C)OCCNC(=O)CC 34a_200000158885_100000766640 [0,2,0,0,0,0|1,0,0]=3 14788 B12R0.276 CCCC(C)OCCNC(=O)CC 7a_200000158885_100000766640 [0,2,0,0,0,0|1,0,0]=3 14789 B12R0.276 CCCC(C)OCCNC(=O)OC 34a_100000757965_100000766640 [0,2,0,0,0,0|2,0,0]=4 14790 B12R0.276 CCCC(C)OCCOC(=O)CC 7a_200000031056_100000766640 [0,2,0,0,0,0|1,0,0]=3 14791 B12R0.276 CCCC(C)OCCOC(=O)NC 34a_100000764384_200011997002 [0,2,0,0,0,0|2,0,0]=4 14792 B12R0.276 CCCC(C)OCCOC(=O)NC 7a_100000764384_200011997002 [0,2,0,0,0,0|2,0,0]=4 14793 B12R0.276 CCCC(C)OCCOC(=O)OC 34a_100010262106_100000766640 [0,2,0,0,0,0|2,0,0]=4 14794 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000741757_100000766640 [0,2,0,0,0,0|1,0,0]=3 14795 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000766640_100000741757 [0,2,0,0,0,0|1,0,0]=3 14796 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,2,0,0,0,0|1,0,0]=3 14797 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,2,0,0,0,0|1,0,0]=3 14798 B12R0.276 CCCC(C)SCCCN(C)CC 62a_100000766640_100015186262 [0,2,0,0,0,0|2,0,0]=4 14799 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_100000766640_200011997002 [0,2,0,0,0,0|2,0,0]=4 14800 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_200011997002_100000766640 [0,2,0,0,0,0|2,0,0]=4 14801 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,2,0,0,0,0|1,0,0]=3 14802 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,2,0,0,0,0|1,0,0]=3 14803 B12R0.276 CCCN(C)CCOCC(=O)OC 2230a_100000747261_100000090808 [0,2,0,0,0,0|2,0,0]=4 14804 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,2,0,0,0,0|1,0,0]=3 14805 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,2,0,0,0,0|1,0,0]=3 14806 B12R0.276 CCC[C@H](N)CCOCC(C)CC 34a_100015193777_100000748023 [0,2,0,0,0,0|1,0,1]=4 14807 B12R0.276 CCC[C@H](N)CCOCC(O)CC 34a_100015193777_100011218378 [0,2,0,0,0,0|0,0,2]=4 14808 B12R0.276 CCC[C@H](N)CCOC[C@@H](C)CC 34a_100015193777_100009816398 [0,2,0,0,0,0|1,0,1]=4 14809 B12R0.276 CCC[C@H](N)COCCC(=O)NC 34a_100000732646_100012179268 [0,2,0,0,0,0|1,0,0]=3 14810 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,2,0,0,0,0|1,0,0]=3 14811 B12R0.276 CCNC(=O)CCCCC(=O)OC 11a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 14812 B12R0.276 CCNC(=O)CCCCC(=O)OC 240690a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 14813 B12R0.276 CCNC(=O)CCCCC(=O)OC 527a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 14814 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [0,2,0,0,0,0|1,0,0]=3 14815 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [0,2,0,0,0,0|1,0,0]=3 14816 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [0,2,0,0,0,0|1,0,0]=3 14817 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [0,2,0,0,0,0|1,0,0]=3 14818 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [0,2,0,0,0,0|1,0,0]=3 14819 B12R0.276 CCNC(=O)CCNCC(O)CO 34a_100025743525_100011219619 [0,2,0,0,0,0|2,0,0]=4 14820 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [0,2,0,0,0,0|1,0,0]=3 14821 B12R0.276 CCNC(=O)CCNC[C@@H](C)CO 34a_100025743525_100000059175 [0,2,0,0,0,0|2,0,0]=4 14822 B12R0.276 CCNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737597 [0,2,0,0,0,0|2,0,0]=4 14823 B12R0.276 CCNC(=O)CCNC[C@@H](O)CF 34a_100025743525_100015614560 [0,2,0,0,0,0|2,0,0]=4 14824 B12R0.276 CCNC(=O)CCNC[C@@H](O)CO 34a_100025743525_100009815848 [0,2,0,0,0,0|2,0,0]=4 14825 B12R0.276 CCNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000737597 [0,2,0,0,0,0|2,0,0]=4 14826 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [0,2,0,0,0,0|1,0,0]=3 14827 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000737597_100000747405 [0,2,0,0,0,0|1,0,1]=4 14828 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000747405_100000737597 [0,2,0,0,0,0|1,0,1]=4 14829 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [0,2,0,0,0,0|1,0,0]=3 14830 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [0,2,0,0,0,0|1,0,0]=3 14831 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [0,2,0,0,0,0|1,0,0]=3 14832 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [0,2,0,0,0,0|1,0,0]=3 14833 B12R0.276 CCNC(=O)CCSCC(O)CO 62a_100000737597_100011219619 [0,2,0,0,0,0|2,0,0]=4 14834 B12R0.276 CCNC(=O)CCSCC(O)CO 62a_100011219619_100000737597 [0,2,0,0,0,0|2,0,0]=4 14835 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [0,2,0,0,0,0|1,0,0]=3 14836 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [0,2,0,0,0,0|1,0,0]=3 14837 B12R0.276 CCNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737597 [0,2,0,0,0,0|2,0,0]=4 14838 B12R0.276 CCNC(=O)CCSC[C@@H](C)CO 62a_100000737597_100000059175 [0,2,0,0,0,0|2,0,0]=4 14839 B12R0.276 CCNC(=O)CCSC[C@@H](O)CF 62a_100000737597_100015614560 [0,2,0,0,0,0|2,0,0]=4 14840 B12R0.276 CCNC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000737597 [0,2,0,0,0,0|2,0,0]=4 14841 B12R0.276 CCNC(=O)CCSC[C@@H](O)CO 62a_100000737597_100009815848 [0,2,0,0,0,0|2,0,0]=4 14842 B12R0.276 CCNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000737597 [0,2,0,0,0,0|2,0,0]=4 14843 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [0,2,0,0,0,0|1,0,0]=3 14844 B12R0.276 CCNC(=O)CNCCC(C)CO 2230a_106354213184_100000183381 [0,2,0,0,0,0|2,0,0]=4 14845 B12R0.276 CCNC(=O)CNCCC(C)CO 34a_106354213184_100000183381 [0,2,0,0,0,0|2,0,0]=4 14846 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,2,0,0,0,0|1,0,0]=3 14847 B12R0.276 CCNC(=O)COCCC(C)OC 7a_100000764861_100000183381 [0,2,0,0,0,0|2,0,0]=4 14848 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,2,0,0,0,0|0,0,1]=3 14849 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,2,0,0,0,0|0,0,1]=3 14850 B12R0.276 CCOC(=O)CCCCC(=O)CF 1458a_100011217402_100015361967 [0,2,0,0,0,0|1,0,1]=4 14851 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [0,2,0,0,0,0|1,0,1]=4 14852 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [0,2,0,0,0,0|1,0,1]=4 14853 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 14854 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 14855 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [0,2,0,0,0,0|1,0,1]=4 14856 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [0,2,0,0,0,0|1,0,0]=3 14857 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [0,2,0,0,0,0|1,0,0]=3 14858 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,2,0,0,0,0|1,0,1]=4 14859 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [0,2,0,0,0,0|1,0,0]=3 14860 B12R0.276 CCOC(=O)CCCN[C@H](C)CO 2230a_100000737577_100009991533 [0,2,0,0,0,0|2,0,0]=4 14861 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [0,2,0,0,0,0|1,0,0]=3 14862 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [0,2,0,0,0,0|1,0,0]=3 14863 B12R0.276 CCOC(=O)CCCOC(C)CF 34a_100016041109_100009991533 [0,2,0,0,0,0|2,0,0]=4 14864 B12R0.276 CCOC(=O)CCCOC(C)CF 7a_100016041109_100011215271 [0,2,0,0,0,0|2,0,0]=4 14865 B12R0.276 CCOC(=O)CCCOC(C)CN 34a_100000210904_100009991533 [0,2,0,0,0,0|2,0,0]=4 14866 B12R0.276 CCOC(=O)CCCOC(C)CO 7a_100012001163_100012180447 [0,2,0,0,0,0|2,0,0]=4 14867 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [0,2,0,0,0,0|1,0,0]=3 14868 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [0,2,0,0,0,0|1,0,0]=3 14869 B12R0.276 CCOC(=O)CCCSC(C)CO 62a_100012180447_100009991533 [0,2,0,0,0,0|2,0,0]=4 14870 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009879195_100009991533 [0,2,0,0,0,0|2,0,0]=4 14871 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009991533_100009879195 [0,2,0,0,0,0|2,0,0]=4 14872 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100009991533_100016084084 [0,2,0,0,0,0|2,0,0]=4 14873 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100016084084_100009991533 [0,2,0,0,0,0|2,0,0]=4 14874 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [0,2,0,0,0,0|1,0,0]=3 14875 B12R0.276 CCOC(=O)CCNCC(C)CO 34a_100000744482_100000765890 [0,2,0,0,0,0|2,0,0]=4 14876 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [0,2,0,0,0,0|1,0,0]=3 14877 B12R0.276 CCOC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011206558 [0,2,0,0,0,0|2,0,0]=4 14878 B12R0.276 CCOC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000765890 [0,2,0,0,0,0|2,0,0]=4 14879 B12R0.276 CCOC(=O)CCNC[C@H](O)CO 2230a_100020644852_100011206558 [0,2,0,0,0,0|2,0,0]=4 14880 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [0,2,0,0,0,0|1,0,1]=4 14881 B12R0.276 CCOC(=O)CCOCC(C)CN 34a_100000744482_100000765890 [0,2,0,0,0,0|2,0,0]=4 14882 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [0,2,0,0,0,0|2,0,0]=4 14883 B12R0.276 CCOC(=O)CCOCC(Cl)CCl 34a_100000033668_100000765890 [0,2,0,0,0,0|2,0,0]=4 14884 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [0,2,0,0,0,0|1,0,0]=3 14885 B12R0.276 CCOC(=O)CCOC[C@H](F)CN 34a_100015665980_100000765890 [0,2,0,0,0,0|2,0,0]=4 14886 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [0,2,0,0,0,0|1,0,1]=4 14887 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [0,2,0,0,0,0|1,0,1]=4 14888 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [0,2,0,0,0,0|1,0,0]=3 14889 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [0,2,0,0,0,0|1,0,0]=3 14890 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [0,2,0,0,0,0|1,0,0]=3 14891 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [0,2,0,0,0,0|1,0,0]=3 14892 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100000765890_100011219619 [0,2,0,0,0,0|2,0,0]=4 14893 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100011219619_100000765890 [0,2,0,0,0,0|2,0,0]=4 14894 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [0,2,0,0,0,0|1,0,0]=3 14895 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [0,2,0,0,0,0|1,0,0]=3 14896 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000765890 [0,2,0,0,0,0|2,0,0]=4 14897 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000765890_100000059175 [0,2,0,0,0,0|2,0,0]=4 14898 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100000765890_100015614560 [0,2,0,0,0,0|2,0,0]=4 14899 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000765890 [0,2,0,0,0,0|2,0,0]=4 14900 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100000765890_100009815848 [0,2,0,0,0,0|2,0,0]=4 14901 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000765890 [0,2,0,0,0,0|2,0,0]=4 14902 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [0,2,0,0,0,0|1,0,0]=3 14903 B12R0.276 CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000188475 [0,2,0,0,0,0|2,0,0]=4 14904 B12R0.276 CCOC(=O)CNCCC(C)CO 34a_106354213184_100000188475 [0,2,0,0,0,0|2,0,0]=4 14905 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,2,0,0,0,0|1,0,1]=4 14906 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,2,0,0,0,0|1,0,0]=3 14907 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [0,2,0,0,0,0|2,0,0]=4 14908 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [0,2,0,0,0,0|2,0,0]=4 14909 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [0,2,0,0,0,0|2,0,0]=4 14910 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [0,2,0,0,0,0|2,0,0]=4 14911 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [0,2,0,0,0,0|2,0,0]=4 14912 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [0,2,0,0,0,0|2,0,0]=4 14913 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [0,2,0,0,0,0|2,0,0]=4 14914 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [0,2,0,0,0,0|2,0,0]=4 14915 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [0,2,0,0,0,0|2,0,0]=4 14916 B12R0.276 CNC(=O)CCCNC(C)CCO 2230a_100000740002_100009893172 [0,2,0,0,0,0|2,0,0]=4 14917 B12R0.276 CNC(=O)CCCNC(C)CCO 34a_100000740002_100009893172 [0,2,0,0,0,0|2,0,0]=4 14918 B12R0.276 CNC(=O)CCCNC(C)COC 2230a_100000740002_100000765312 [0,2,0,0,0,0|2,0,0]=4 14919 B12R0.276 CNC(=O)CCCNC(C)COC 270004a_100000740002_100000749346 [0,2,0,0,0,0|2,0,0]=4 14920 B12R0.276 CNC(=O)CCCNC(C)COC 34a_100000740002_100000765312 [0,2,0,0,0,0|2,0,0]=4 14921 B12R0.276 CNC(=O)CCCNC(C)CSC 270004a_100000740002_100011216314 [0,2,0,0,0,0|2,0,0]=4 14922 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100000741757 [0,2,0,0,0,0|2,0,0]=4 14923 B12R0.276 CNC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000741757 [0,2,0,0,0,0|2,0,0]=4 14924 B12R0.276 CNC(=O)CCCN[C@H](C)COC 2230a_100000764878_100000741757 [0,2,0,0,0,0|2,0,0]=4 14925 B12R0.276 CNC(=O)CCCOC(C)CCBr 34a_100012276601_100000741757 [0,2,0,0,0,0|2,0,0]=4 14926 B12R0.276 CNC(=O)CCCO[C@H](C)COC 34a_100011934205_100000741757 [0,2,0,0,0,0|2,0,0]=4 14927 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100000741757_100009893172 [0,2,0,0,0,0|2,0,0]=4 14928 B12R0.276 CNC(=O)CCCSC(C)CCO 62a_100009893172_100000741757 [0,2,0,0,0,0|2,0,0]=4 14929 B12R0.276 CNC(=O)CCCSC(C)COC 62a_100000741757_100000765312 [0,2,0,0,0,0|2,0,0]=4 14930 B12R0.276 CNC(=O)CCCSC(C)COC 62a_100000765312_100000741757 [0,2,0,0,0,0|2,0,0]=4 14931 B12R0.276 CNC(=O)CCNCC(O)COC 2230a_100000756049_100000737683 [0,2,0,0,0,0|2,0,0]=4 14932 B12R0.276 CNC(=O)CCNCC(O)COC 34a_100000738227_100011215053 [0,2,0,0,0,0|2,0,0]=4 14933 B12R0.276 CNC(=O)CCNCC(O)COC 34a_100000756049_100012179268 [0,2,0,0,0,0|2,0,0]=4 14934 B12R0.276 CNC(=O)CCOCC(C)CCN 34a_106354213184_100012179268 [0,2,0,0,0,0|2,0,0]=4 14935 B12R0.276 CNC(=O)CCOCC(N)COC 34a_100000724102_100012179268 [0,2,0,0,0,0|2,0,0]=4 14936 B12R0.276 CNC(=O)CCOCC(O)COC 34a_100000754576_100011215053 [0,2,0,0,0,0|2,0,0]=4 14937 B12R0.276 CNC(=O)CCSCC(O)COC 62a_100000737683_100011215053 [0,2,0,0,0,0|2,0,0]=4 14938 B12R0.276 CNC(=O)CCSCC(O)COC 62a_100011215053_100000737683 [0,2,0,0,0,0|2,0,0]=4 14939 B12R0.276 COC(=O)CCCCC(=O)CCF 1458a_100000695723_100011217306 [0,2,0,0,0,0|1,0,1]=4 14940 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100000695723_100000211926 [0,2,0,0,0,0|1,0,1]=4 14941 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100011216618_100000204269 [0,2,0,0,0,0|1,0,1]=4 14942 B12R0.276 COC(=O)CCCCC(=O)CSC 1458a_100000184570_100000204269 [0,2,0,0,0,0|1,0,1]=4 14943 B12R0.276 COC(=O)CCCCN(C)CCO 2230a_100000210263_100000204269 [0,2,0,0,0,0|2,0,0]=4 14944 B12R0.276 COC(=O)CCCCN(C)CCO 269982a_100000210263_100000204269 [0,2,0,0,0,0|2,0,0]=4 14945 B12R0.276 COC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100011218270 [0,2,0,0,0,0|2,0,0]=4 14946 B12R0.276 COC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000742333 [0,2,0,0,0,0|2,0,0]=4 14947 B12R0.276 COC(=O)CCCOC(C)CCBr 34a_100012276601_100000742333 [0,2,0,0,0,0|2,0,0]=4 14948 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100009893172_100011218270 [0,2,0,0,0,0|2,0,0]=4 14949 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100011218270_100009893172 [0,2,0,0,0,0|2,0,0]=4 14950 B12R0.276 COC(=O)CCOCC(C)CCN 34a_106354213184_100000742370 [0,2,0,0,0,0|2,0,0]=4 14951 B12R0.276 COCC(=O)CCCCC(=O)OC 1458a_100000210968_100000204269 [0,2,0,0,0,0|1,0,1]=4 14952 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100000765312_100011218270 [0,2,0,0,0,0|2,0,0]=4 14953 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100011218270_100000765312 [0,2,0,0,0,0|2,0,0]=4 14954 B12R0.276 COCC(N)COCCC(=O)OC 34a_100000724102_100000742370 [0,2,0,0,0,0|2,0,0]=4 14955 B12R0.276 COCC(O)CNCCC(=O)OC 2230a_100000756049_100000204255 [0,2,0,0,0,0|2,0,0]=4 14956 B12R0.276 COCC(O)CNCCC(=O)OC 34a_100000756049_100000742370 [0,2,0,0,0,0|2,0,0]=4 14957 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100000204255_100011215053 [0,2,0,0,0,0|2,0,0]=4 14958 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100011215053_100000204255 [0,2,0,0,0,0|2,0,0]=4 14959 B12R0.276 COC[C@@H](C)NCCCC(=O)OC 2230a_100000764878_100011218270 [0,2,0,0,0,0|2,0,0]=4 14960 B12R0.276 COC[C@@H](C)OCCCC(=O)OC 34a_100011934205_100000742333 [0,2,0,0,0,0|2,0,0]=4 14961 B12R0.277 C#CCC(=O)CCCCCC(C)C 1458a_100000766313_100000184674 [0,2,0,0,0,0|0,0,1]=3 14962 B12R0.277 C#CCC(=O)CCCCCC(C)C 1458a_100011220946_100000210682 [0,2,0,0,0,0|0,0,1]=3 14963 B12R0.277 C=C(C)CCNCCC(=O)NCC 34a_100025743525_100000730704 [0,2,0,0,0,0|1,0,1]=4 14964 B12R0.277 C=C(C)CCOCCC(=O)OCC 34a_100000764851_100000765890 [0,2,0,0,0,0|1,0,1]=4 14965 B12R0.277 C=C(C)CCSCCC(=O)NCC 62a_100000730704_100000737597 [0,2,0,0,0,0|1,0,1]=4 14966 B12R0.277 C=C(C)CCSCCC(=O)NCC 62a_100000737597_100000730704 [0,2,0,0,0,0|1,0,1]=4 14967 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000730704_100000765890 [0,2,0,0,0,0|1,0,1]=4 14968 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000765890_100000730704 [0,2,0,0,0,0|1,0,1]=4 14969 B12R0.277 C=C(C)COCCCC(=O)OCC 34a_100000210245_100009991533 [0,2,0,0,0,0|1,0,1]=4 14970 B12R0.277 C=C(C)COCCCC(=O)OCC 7a_100012001163_100000748629 [0,2,0,0,0,0|1,0,1]=4 14971 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100000748629_100009991533 [0,2,0,0,0,0|1,0,1]=4 14972 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100009991533_100000211660 [0,2,0,0,0,0|1,0,1]=4 14973 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000210193_100000210682 [0,2,0,0,0,0|0,0,1]=3 14974 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210623 [0,2,0,0,0,0|0,0,1]=3 14975 B12R0.277 CC#CC(=O)CCCCCC(C)C 1458a_100000763181_100000210682 [0,2,0,0,0,0|0,0,1]=3 14976 B12R0.277 CC(=O)OCCCCC(=O)CCO 1458a_100011216618_100000033659 [0,2,0,0,0,0|1,0,1]=4 14977 B12R0.277 CC(=O)SCCCCC(=O)CCO 1458a_100011216618_200010402107 [0,2,0,0,0,0|1,0,1]=4 14978 B12R0.277 CC(C)CCCCCC(=O)C=CBr 1458a_100016273825_100000210682 [0,2,0,0,0,0|0,0,2]=4 14979 B12R0.277 CC(C)CCCCCC(=O)C=CCl 1458a_200016279998_100000210682 [0,2,0,0,0,0|0,0,2]=4 14980 B12R0.277 CC(C)CCCCCC(=O)C=CI 1458a_100016256311_100000210682 [0,2,0,0,0,0|0,0,2]=4 14981 B12R0.277 CC(C)CCCCCC(=O)CC#N 1458a_100000766313_100011214920 [0,2,0,0,0,0|0,0,1]=3 14982 B12R0.277 CC(C)CCCCCC(=O)CC#N 1458a_100051588842_100000210682 [0,2,0,0,0,0|0,0,1]=3 14983 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,2,0,0,0,0|0,0,0]=2 14984 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,2,0,0,0,0|0,0,0]=2 14985 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,2,0,0,0,0|0,0,0]=2 14986 B12R0.277 CC(C)CCCCCN(C)CCO 2230a_100000210263_100000210682 [0,2,0,0,0,0|2,0,0]=4 14987 B12R0.277 CC(C)CCCCCN(C)CCO 269982a_100000210263_100000210682 [0,2,0,0,0,0|2,0,0]=4 14988 B12R0.277 CC(C)CCCNCC(=O)NCO 2230a_200000737386_100000185155 [0,2,0,0,0,0|2,0,0]=4 14989 B12R0.277 CC(C)CCCNCC(=O)NCO 34a_200000737386_100000185155 [0,2,0,0,0,0|2,0,0]=4 14990 B12R0.277 CC(C)CCCOCC(=O)NCO 34a_100000210774_100000185155 [0,2,0,0,0,0|2,0,0]=4 14991 B12R0.277 CC(C)CCCOCC(=O)NCO 7a_100000210774_100000185155 [0,2,0,0,0,0|2,0,0]=4 14992 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100000185155_100011214892 [0,2,0,0,0,0|2,0,0]=4 14993 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100011214892_100000185155 [0,2,0,0,0,0|2,0,0]=4 14994 B12R0.277 CC(C)OCCCNC(=O)CCO 240690a_100000737246_100011216618 [0,2,0,0,0,0|2,0,0]=4 14995 B12R0.277 CC(C)OCCCNC(=O)CS[13CH3] 62a_100000230355_200025704644 [0,2,0,0,0,0|2,0,0]=4 14996 B12R0.277 CC(C)OCCCNC(=O)CS[13CH3] 62a_200025704644_100000230355 [0,2,0,0,0,0|2,0,0]=4 14997 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_100000185155_200000718107 [0,2,0,0,0,0|2,0,0]=4 14998 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_200000718107_100000185155 [0,2,0,0,0,0|2,0,0]=4 14999 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [0,2,0,0,0,0|0,0,1]=3 15000 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [0,2,0,0,0,0|2,0,0]=4 15001 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,2,0,0,0,0|1,0,1]=4 15002 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,2,0,0,0,0|0,0,0]=2 15003 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,2,0,0,0,0|0,0,0]=2 15004 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,2,0,0,0,0|2,0,0]=4 15005 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,2,0,0,0,0|1,0,1]=4 15006 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,2,0,0,0,0|1,0,1]=4 15007 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,2,0,0,0,0|1,0,0]=3 15008 B12R0.277 CCCC(=O)CNCCCS(=O)C 2230a_200000753449_100000747444 [0,2,0,0,0,0|2,0,0]=4 15009 B12R0.277 CCCC(=O)CNCCOC(C)C 2230a_100000701111_100000747444 [0,2,0,0,0,0|2,0,0]=4 15010 B12R0.277 CCCC(=O)CNCCSC(C)C 2230a_100000731138_100000747444 [0,2,0,0,0,0|2,0,0]=4 15011 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,2,0,0,0,0|1,0,1]=4 15012 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,2,0,0,0,0|1,0,0]=3 15013 B12R0.277 CCCC(=O)COCCOC(C)C 7a_100000211219_100000747444 [0,2,0,0,0,0|2,0,0]=4 15014 B12R0.277 CCCC(=O)COCCSC(C)C 7a_200011212901_100000747444 [0,2,0,0,0,0|2,0,0]=4 15015 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,2,0,0,0,0|1,0,1]=4 15016 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,2,0,0,0,0|1,0,1]=4 15017 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,2,0,0,0,0|1,0,0]=3 15018 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,2,0,0,0,0|1,0,0]=3 15019 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,2,0,0,0,0|1,0,0]=3 15020 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,2,0,0,0,0|1,0,0]=3 15021 B12R0.277 CCCC(=O)CSCCCN(C)C 62a_100000747444_100000757444 [0,2,0,0,0,0|2,0,0]=4 15022 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000211751_100000747444 [0,2,0,0,0,0|2,0,0]=4 15023 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000747444_100000211751 [0,2,0,0,0,0|2,0,0]=4 15024 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000730970_100000747444 [0,2,0,0,0,0|2,0,0]=4 15025 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000747444_100000730970 [0,2,0,0,0,0|2,0,0]=4 15026 B12R0.277 CCCC(=O)NCCCCN(C)C 240690a_100025707445_100000211992 [0,2,0,0,0,0|2,0,0]=4 15027 B12R0.277 CCCC(=O)NCCCOC(C)C 11a_100000737246_100000211992 [0,2,0,0,0,0|2,0,0]=4 15028 B12R0.277 CCCC(=O)NCCCOC(C)C 1626a_100000737246_100000211992 [0,2,0,0,0,0|2,0,0]=4 15029 B12R0.277 CCCC(=O)NCCCOC(C)C 240690a_100000737246_100000211992 [0,2,0,0,0,0|2,0,0]=4 15030 B12R0.277 CCCC(=O)NCCCOC(C)C 527a_100000737246_100000211992 [0,2,0,0,0,0|2,0,0]=4 15031 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,2,0,0,0,0|2,0,0]=4 15032 B12R0.277 CCCC(=O)OCOCCC(C)Br 34a_100009893172_100000034017 [0,2,0,0,0,0|2,0,0]=4 15033 B12R0.277 CCCC(=O)OCOCCC(C)C 34a_100000210254_100000034017 [0,2,0,0,0,0|2,0,0]=4 15034 B12R0.277 CCCC(=O)OCOCC[C@@H](C)N 34a_100000706166_100000034017 [0,2,0,0,0,0|2,0,0]=4 15035 B12R0.277 CCCC(=O)OCSCCC(C)C 62a_100000210312_100000034017 [0,2,0,0,0,0|2,0,0]=4 15036 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,2,0,0,0,0|2,0,0]=4 15037 B12R0.277 CCCN(C)CCCCCC(C)C 2230a_100000747261_100000210682 [0,2,0,0,0,0|2,0,0]=4 15038 B12R0.277 CCCN(C)CCCCCC(C)C 269982a_100000747261_100000210682 [0,2,0,0,0,0|2,0,0]=4 15039 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,2,0,0,0,0|0,0,0]=2 15040 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,2,0,0,0,0|0,0,0]=2 15041 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,2,0,0,0,0|0,0,0]=2 15042 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 11a_100015525214_100000043470 [0,2,0,0,0,0|2,0,0]=4 15043 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 240690a_100015525214_100000043470 [0,2,0,0,0,0|2,0,0]=4 15044 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 527a_100015525214_100000043470 [0,2,0,0,0,0|2,0,0]=4 15045 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [0,2,0,0,0,0|1,0,0]=3 15046 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [0,2,0,0,0,0|1,0,0]=3 15047 B12R0.277 CCNC(=O)CCNCCC(C)O 2230a_200000755665_100000737597 [0,2,0,0,0,0|1,0,0]=3 15048 B12R0.277 CCNC(=O)CCNCCC(C)O 34a_100025743525_100012276601 [0,2,0,0,0,0|1,0,0]=3 15049 B12R0.277 CCNC(=O)CCNCOC(C)C 34a_100025743525_100000709892 [0,2,0,0,0,0|2,0,0]=4 15050 B12R0.277 CCNC(=O)CCOCCC(=O)C 7a_100000759926_100000737597 [0,2,0,0,0,0|1,0,1]=4 15051 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [0,2,0,0,0,0|1,0,0]=3 15052 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000053229_100000737597 [0,2,0,0,0,0|1,0,1]=4 15053 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000737597_100000053229 [0,2,0,0,0,0|1,0,1]=4 15054 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [0,2,0,0,0,0|1,0,0]=3 15055 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [0,2,0,0,0,0|1,0,0]=3 15056 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100000737597_100012276601 [0,2,0,0,0,0|1,0,0]=3 15057 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100012276601_100000737597 [0,2,0,0,0,0|1,0,0]=3 15058 B12R0.277 CCNC(=O)CCSCCN(C)C 62a_100000737597_100000755713 [0,2,0,0,0,0|2,0,0]=4 15059 B12R0.277 CCNC(=O)CCSCOC(C)C 62a_100000709892_100000737597 [0,2,0,0,0,0|2,0,0]=4 15060 B12R0.277 CCNC(=O)CCSCOC(C)C 62a_100000737597_100000709892 [0,2,0,0,0,0|2,0,0]=4 15061 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [0,2,0,0,0,0|1,0,0]=3 15062 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [0,2,0,0,0,0|1,0,0]=3 15063 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [0,2,0,0,0,0|1,0,0]=3 15064 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [0,2,0,0,0,0|1,0,0]=3 15065 B12R0.277 CCNC(=O)CNCCCS(=O)C 2230a_200000753449_100000183381 [0,2,0,0,0,0|2,0,0]=4 15066 B12R0.277 CCNC(=O)CNCCOC(C)C 2230a_100000701111_100000183381 [0,2,0,0,0,0|2,0,0]=4 15067 B12R0.277 CCNC(=O)CNCCOC(C)C 2230a_100016988866_100000211751 [0,2,0,0,0,0|2,0,0]=4 15068 B12R0.277 CCNC(=O)CNCCOC(C)C 34a_100000701111_100000183381 [0,2,0,0,0,0|2,0,0]=4 15069 B12R0.277 CCNC(=O)CNCCSC(C)C 2230a_100000731138_100000183381 [0,2,0,0,0,0|2,0,0]=4 15070 B12R0.277 CCNC(=O)CNCCSC(C)C 2230a_100016988866_100000730970 [0,2,0,0,0,0|2,0,0]=4 15071 B12R0.277 CCNC(=O)CNCCSC(C)C 34a_100000731138_100000183381 [0,2,0,0,0,0|2,0,0]=4 15072 B12R0.277 CCNC(=O)COCCCC(=O)C 34a_100000759063_100000183381 [0,2,0,0,0,0|1,0,1]=4 15073 B12R0.277 CCNC(=O)COCCCC(=O)C 7a_100000759063_100000183381 [0,2,0,0,0,0|1,0,1]=4 15074 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,2,0,0,0,0|1,0,0]=3 15075 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,2,0,0,0,0|1,0,0]=3 15076 B12R0.277 CCNC(=O)COCCNC(C)C 34a_100000224655_100000183381 [0,2,0,0,0,0|2,0,0]=4 15077 B12R0.277 CCNC(=O)COCCOC(C)C 34a_100000211219_100000183381 [0,2,0,0,0,0|2,0,0]=4 15078 B12R0.277 CCNC(=O)COCCOC(C)C 7a_100000211219_100000183381 [0,2,0,0,0,0|2,0,0]=4 15079 B12R0.277 CCNC(=O)COCCSC(C)C 34a_200011212901_100000183381 [0,2,0,0,0,0|2,0,0]=4 15080 B12R0.277 CCNC(=O)COCCSC(C)C 7a_200011212901_100000183381 [0,2,0,0,0,0|2,0,0]=4 15081 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100000183381_100011215641 [0,2,0,0,0,0|1,0,1]=4 15082 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100011215641_100000183381 [0,2,0,0,0,0|1,0,1]=4 15083 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [0,2,0,0,0,0|1,0,0]=3 15084 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [0,2,0,0,0,0|1,0,0]=3 15085 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [0,2,0,0,0,0|1,0,0]=3 15086 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [0,2,0,0,0,0|1,0,0]=3 15087 B12R0.277 CCNC(=O)CSCCCN(C)C 62a_100000183381_100000757444 [0,2,0,0,0,0|2,0,0]=4 15088 B12R0.277 CCNC(=O)CSCCOC(C)C 62a_100000183381_100000211751 [0,2,0,0,0,0|2,0,0]=4 15089 B12R0.277 CCNC(=O)CSCCOC(C)C 62a_100000211751_100000183381 [0,2,0,0,0,0|2,0,0]=4 15090 B12R0.277 CCNC(=O)CSCCSC(C)C 62a_100000183381_100000730970 [0,2,0,0,0,0|2,0,0]=4 15091 B12R0.277 CCNC(=O)CSCCSC(C)C 62a_100000730970_100000183381 [0,2,0,0,0,0|2,0,0]=4 15092 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 15093 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 15094 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 15095 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 15096 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 15097 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 15098 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 15099 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 15100 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 15101 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 15102 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 15103 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 15104 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|0,0,1]=3 15105 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|0,0,1]=3 15106 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|0,0,1]=3 15107 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [0,2,0,0,0,0|1,0,0]=3 15108 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [0,2,0,0,0,0|1,0,0]=3 15109 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,2,0,0,0,0|1,0,1]=4 15110 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [0,2,0,0,0,0|1,0,0]=3 15111 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [0,2,0,0,0,0|1,0,0]=3 15112 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [0,2,0,0,0,0|1,0,0]=3 15113 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [0,2,0,0,0,0|1,0,0]=3 15114 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [0,2,0,0,0,0|1,0,0]=3 15115 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [0,2,0,0,0,0|1,0,0]=3 15116 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [0,2,0,0,0,0|1,0,0]=3 15117 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [0,2,0,0,0,0|1,0,0]=3 15118 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [0,2,0,0,0,0|1,0,0]=3 15119 B12R0.277 CCOC(=O)CCCNCC(F)F 34a_100000765723_100009991533 [0,2,0,0,0,0|2,0,0]=4 15120 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [0,2,0,0,0,0|1,0,1]=4 15121 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [0,2,0,0,0,0|1,0,0]=3 15122 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [0,2,0,0,0,0|1,0,0]=3 15123 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [0,2,0,0,0,0|1,0,0]=3 15124 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [0,2,0,0,0,0|1,0,0]=3 15125 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [0,2,0,0,0,0|1,0,0]=3 15126 B12R0.277 CCOC(=O)CCCOCC(F)F 34a_100000743014_100009991533 [0,2,0,0,0,0|2,0,0]=4 15127 B12R0.277 CCOC(=O)CCCOCC(F)F 7a_100012001163_100011934356 [0,2,0,0,0,0|2,0,0]=4 15128 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [0,2,0,0,0,0|1,0,0]=3 15129 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [0,2,0,0,0,0|1,0,0]=3 15130 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [0,2,0,0,0,0|1,0,0]=3 15131 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [0,2,0,0,0,0|1,0,0]=3 15132 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [0,2,0,0,0,0|1,0,0]=3 15133 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [0,2,0,0,0,0|1,0,0]=3 15134 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [0,2,0,0,0,0|1,0,0]=3 15135 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100009991533_100011934356 [0,2,0,0,0,0|2,0,0]=4 15136 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100011934356_100009991533 [0,2,0,0,0,0|2,0,0]=4 15137 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [0,2,0,0,0,0|1,0,0]=3 15138 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [0,2,0,0,0,0|1,0,0]=3 15139 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [0,2,0,0,0,0|1,0,0]=3 15140 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [0,2,0,0,0,0|1,0,1]=4 15141 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [0,2,0,0,0,0|1,0,1]=4 15142 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [0,2,0,0,0,0|1,0,0]=3 15143 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [0,2,0,0,0,0|1,0,0]=3 15144 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [0,2,0,0,0,0|1,0,0]=3 15145 B12R0.277 CCOC(=O)CCOCCC(F)F 34a_100103093639_100000765890 [0,2,0,0,0,0|2,0,0]=4 15146 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [0,2,0,0,0,0|1,0,0]=3 15147 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [0,2,0,0,0,0|1,0,1]=4 15148 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [0,2,0,0,0,0|1,0,1]=4 15149 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [0,2,0,0,0,0|1,0,0]=3 15150 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [0,2,0,0,0,0|1,0,0]=3 15151 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [0,2,0,0,0,0|1,0,0]=3 15152 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [0,2,0,0,0,0|1,0,0]=3 15153 B12R0.277 CCOC(=O)CCSCCN(C)C 62a_100000765890_100000755713 [0,2,0,0,0,0|2,0,0]=4 15154 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000709892_100000765890 [0,2,0,0,0,0|2,0,0]=4 15155 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000765890_100000709892 [0,2,0,0,0,0|2,0,0]=4 15156 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [0,2,0,0,0,0|1,0,0]=3 15157 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [0,2,0,0,0,0|1,0,0]=3 15158 B12R0.277 CCOC(=O)CNCCCS(=O)C 2230a_200000753449_100000188475 [0,2,0,0,0,0|2,0,0]=4 15159 B12R0.277 CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000188475 [0,2,0,0,0,0|2,0,0]=4 15160 B12R0.277 CCOC(=O)CNCCOC(C)C 34a_100000701111_100000188475 [0,2,0,0,0,0|2,0,0]=4 15161 B12R0.277 CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000188475 [0,2,0,0,0,0|2,0,0]=4 15162 B12R0.277 CCOC(=O)CNCCSC(C)C 34a_100000731138_100000188475 [0,2,0,0,0,0|2,0,0]=4 15163 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,2,0,0,0,0|1,0,1]=4 15164 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,2,0,0,0,0|1,0,1]=4 15165 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,2,0,0,0,0|1,0,1]=4 15166 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,2,0,0,0,0|1,0,0]=3 15167 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,2,0,0,0,0|1,0,0]=3 15168 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [0,2,0,0,0,0|2,0,0]=4 15169 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [0,2,0,0,0,0|2,0,0]=4 15170 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [0,2,0,0,0,0|2,0,0]=4 15171 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [0,2,0,0,0,0|2,0,0]=4 15172 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [0,2,0,0,0,0|2,0,0]=4 15173 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [0,2,0,0,0,0|2,0,0]=4 15174 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [0,2,0,0,0,0|2,0,0]=4 15175 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [0,2,0,0,0,0|2,0,0]=4 15176 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [0,2,0,0,0,0|2,0,0]=4 15177 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [0,2,0,0,0,0|2,0,0]=4 15178 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [0,2,0,0,0,0|2,0,0]=4 15179 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [0,2,0,0,0,0|2,0,0]=4 15180 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [0,2,0,0,0,0|1,0,1]=4 15181 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [0,2,0,0,0,0|1,0,1]=4 15182 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [0,2,0,0,0,0|1,0,0]=3 15183 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [0,2,0,0,0,0|1,0,0]=3 15184 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [0,2,0,0,0,0|1,0,0]=3 15185 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [0,2,0,0,0,0|1,0,0]=3 15186 B12R0.277 CCOC(=O)CSCCCN(C)C 62a_100000188475_100000757444 [0,2,0,0,0,0|2,0,0]=4 15187 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000188475_100000211751 [0,2,0,0,0,0|2,0,0]=4 15188 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000211751_100000188475 [0,2,0,0,0,0|2,0,0]=4 15189 B12R0.277 CCOC(=O)CSCCOC(C)C 7a_200000230590_100000210206 [0,2,0,0,0,0|2,0,0]=4 15190 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000188475_100000730970 [0,2,0,0,0,0|2,0,0]=4 15191 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000730970_100000188475 [0,2,0,0,0,0|2,0,0]=4 15192 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [0,2,0,0,0,0|2,0,0]=4 15193 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [0,2,0,0,0,0|2,0,0]=4 15194 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [0,2,0,0,0,0|2,0,0]=4 15195 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [0,2,0,0,0,0|2,0,0]=4 15196 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [0,2,0,0,0,0|2,0,0]=4 15197 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [0,2,0,0,0,0|2,0,0]=4 15198 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [0,2,0,0,0,0|2,0,0]=4 15199 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [0,2,0,0,0,0|2,0,0]=4 15200 B12R0.277 CN(C)CCCCNC(=O)CCO 240690a_100025707445_100011216618 [0,2,0,0,0,0|2,0,0]=4 15201 B12R0.277 CNCC(=O)NCCCOC(C)C 2230a_106832991635_100000230355 [0,2,0,0,0,0|2,0,0]=4 15202 B12R0.277 CNCC(=O)NCCCOC(C)C 34a_100102657272_100000230355 [0,2,0,0,0,0|2,0,0]=4 15203 B12R0.277 CNCC(=O)NCCCOC(C)C 7a_106832991635_100000230355 [0,2,0,0,0,0|2,0,0]=4 15204 B12R0.277 CNNC(=O)CCCCCC(C)C 22a_100016993582_100000766313 [0,2,0,0,0,0|1,0,0]=3 15205 B12R0.277 COCC(=O)CCCCCB(O)O 1458a_100000210968_200009817188 [0,2,0,0,0,0|2,0,0]=4 15206 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,2,0,0,0,0|1,0,1]=4 15207 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,2,0,0,0,0|0,0,0]=2 15208 B12R0.277 COCC(=O)CCCCOC(=O)C 1458a_100000210968_100000033659 [0,2,0,0,0,0|1,0,1]=4 15209 B12R0.277 COCC(=O)CCCCSC(=O)C 1458a_100000210968_200010402107 [0,2,0,0,0,0|1,0,1]=4 15210 B12R0.277 COCC(=O)NCCCCN(C)C 240690a_100025707445_100000210968 [0,2,0,0,0,0|2,0,0]=4 15211 B12R0.277 COCC(=O)NCCCOC(C)C 11a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 15212 B12R0.277 COCC(=O)NCCCOC(C)C 1626a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 15213 B12R0.277 COCC(=O)NCCCOC(C)C 240690a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 15214 B12R0.277 COCC(=O)NCCCOC(C)C 34a_100138415774_100000230355 [0,2,0,0,0,0|2,0,0]=4 15215 B12R0.277 COCC(=O)NCCCOC(C)C 527a_100000737246_100000210968 [0,2,0,0,0,0|2,0,0]=4 15216 B12R0.277 CSCC(=O)CCCCCB(O)O 1458a_100000184570_200009817188 [0,2,0,0,0,0|2,0,0]=4 15217 B12R0.277 CSCC(=O)CCCCCC(=O)N 1458a_100000184570_100009817443 [0,2,0,0,0,0|1,0,1]=4 15218 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,2,0,0,0,0|0,0,0]=2 15219 B12R0.277 CSCC(=O)CCCCOC(=O)C 1458a_100000184570_100000033659 [0,2,0,0,0,0|1,0,1]=4 15220 B12R0.277 CSCC(=O)CCCCSC(=O)C 1458a_100000184570_200010402107 [0,2,0,0,0,0|1,0,1]=4 15221 B12R0.277 CSCC(=O)NCCCCN(C)C 240690a_100025707445_100000184570 [0,2,0,0,0,0|2,0,0]=4 15222 B12R0.277 CSCC(=O)NCCCOC(C)C 11a_100000737246_100000184570 [0,2,0,0,0,0|2,0,0]=4 15223 B12R0.277 CSCC(=O)NCCCOC(C)C 1626a_100000737246_100000184570 [0,2,0,0,0,0|2,0,0]=4 15224 B12R0.277 CSCC(=O)NCCCOC(C)C 240690a_100000737246_100000184570 [0,2,0,0,0,0|2,0,0]=4 15225 B12R0.277 CSCC(=O)NCCCOC(C)C 527a_100000737246_100000184570 [0,2,0,0,0,0|2,0,0]=4 15226 B12R0.277 CSCC(=O)NCCCOC(C)C 62a_100000230355_200000210301 [0,2,0,0,0,0|2,0,0]=4 15227 B12R0.277 CSCC(=O)NCCCOC(C)C 62a_200000210301_100000230355 [0,2,0,0,0,0|2,0,0]=4 15228 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [0,2,0,0,0,0|1,0,1]=4 15229 B12R0.277 O=C(CCF)CCCCC[N+](=O)[O-] 1458a_100000043470_100011217306 [0,2,0,0,0,0|2,0,0]=4 15230 B12R0.277 O=C(CCO)CCCCCB(O)O 1458a_100011216618_200009817188 [0,2,0,0,0,0|2,0,0]=4 15231 B12R0.277 O=C(CCO)CCCCC[N+](=O)[O-] 1458a_100000043470_100000211926 [0,2,0,0,0,0|2,0,0]=4 15232 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,2,0,0,0,0|0,0,1]=3 15233 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,2,0,0,0,0|0,0,1]=3 15234 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,2,0,0,0,0|0,0,1]=3 15235 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,2,0,0,0,0|1,0,1]=4 15236 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,2,0,0,0,0|1,0,1]=4 15237 B12R0.285 CCCC(=O)CNCC(O)COC 2230a_100000756049_100000747444 [0,2,0,0,0,0|2,0,0]=4 15238 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,2,0,0,0,0|1,0,0]=3 15239 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,2,0,0,0,0|1,0,1]=4 15240 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,2,0,0,0,0|1,0,1]=4 15241 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,2,0,0,0,0|1,0,1]=4 15242 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,2,0,0,0,0|1,0,1]=4 15243 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,2,0,0,0,0|1,0,1]=4 15244 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,2,0,0,0,0|1,0,0]=3 15245 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,2,0,0,0,0|1,0,0]=3 15246 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100000747444_100011215053 [0,2,0,0,0,0|2,0,0]=4 15247 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100011215053_100000747444 [0,2,0,0,0,0|2,0,0]=4 15248 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 15249 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 15250 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 15251 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 15252 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,2,0,0,0,0|1,0,1]=4 15253 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,2,0,0,0,0|2,0,0]=4 15254 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,2,0,0,0,0|2,0,0]=4 15255 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,2,0,0,0,0|2,0,0]=4 15256 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [0,2,0,0,0,0|1,0,0]=3 15257 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [0,2,0,0,0,0|1,0,0]=3 15258 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,2,0,0,0,0|1,0,0]=3 15259 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,2,0,0,0,0|1,0,0]=3 15260 B12R0.285 CCCC(C)COCC(=O)NCO 34a_100000688023_100000185155 [0,2,0,0,0,0|2,0,0]=4 15261 B12R0.285 CCCC(C)COCC(=O)NCO 7a_100000688023_100000185155 [0,2,0,0,0,0|2,0,0]=4 15262 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,2,0,0,0,0|1,0,0]=3 15263 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,2,0,0,0,0|1,0,0]=3 15264 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [0,2,0,0,0,0|1,0,0]=3 15265 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [0,2,0,0,0,0|1,0,0]=3 15266 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100000185155_100011216630 [0,2,0,0,0,0|2,0,0]=4 15267 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100011216630_100000185155 [0,2,0,0,0,0|2,0,0]=4 15268 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,2,0,0,0,0|1,0,0]=3 15269 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,2,0,0,0,0|1,0,0]=3 15270 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [0,2,0,0,0,0|1,0,0]=3 15271 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [0,2,0,0,0,0|1,0,0]=3 15272 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [0,2,0,0,0,0|1,0,0]=3 15273 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,2,0,0,0,0|1,0,0]=3 15274 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,2,0,0,0,0|1,0,0]=3 15275 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,2,0,0,0,0|1,0,0]=3 15276 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,2,0,0,0,0|1,0,0]=3 15277 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [0,2,0,0,0,0|1,0,0]=3 15278 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [0,2,0,0,0,0|1,0,0]=3 15279 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,2,0,0,0,0|1,0,0]=3 15280 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,2,0,0,0,0|1,0,0]=3 15281 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,2,0,0,0,0|2,0,0]=4 15282 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,2,0,0,0,0|1,0,0]=3 15283 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,2,0,0,0,0|1,0,0]=3 15284 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,2,0,0,0,0|2,0,0]=4 15285 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,2,0,0,0,0|1,0,0]=3 15286 B12R0.285 CCC[C@H](N)COCC(=O)NCO 34a_100000732646_100000185155 [0,2,0,0,0,0|2,0,0]=4 15287 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,2,0,0,0,0|1,0,0]=3 15288 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,2,0,0,0,0|1,0,1]=4 15289 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,2,0,0,0,0|1,0,1]=4 15290 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,2,0,0,0,0|1,0,1]=4 15291 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,2,0,0,0,0|1,0,1]=4 15292 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,2,0,0,0,0|1,0,1]=4 15293 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,2,0,0,0,0|1,0,1]=4 15294 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,2,0,0,0,0|1,0,1]=4 15295 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,2,0,0,0,0|1,0,1]=4 15296 B12R0.285 CCNC(=O)CCNC(C)CCO 34a_100025743525_100009893172 [0,2,0,0,0,0|2,0,0]=4 15297 B12R0.285 CCNC(=O)CCNC(C)COC 270004a_100025743525_100000749346 [0,2,0,0,0,0|2,0,0]=4 15298 B12R0.285 CCNC(=O)CCNC(C)COC 34a_100025743525_100000765312 [0,2,0,0,0,0|2,0,0]=4 15299 B12R0.285 CCNC(=O)CCNC(C)CSC 270004a_100025743525_100011216314 [0,2,0,0,0,0|2,0,0]=4 15300 B12R0.285 CCNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737597 [0,2,0,0,0,0|2,0,0]=4 15301 B12R0.285 CCNC(=O)CCN[C@H](C)COC 2230a_100000764878_100000737597 [0,2,0,0,0,0|2,0,0]=4 15302 B12R0.285 CCNC(=O)CCSC(C)CCO 62a_100000737597_100009893172 [0,2,0,0,0,0|2,0,0]=4 15303 B12R0.285 CCNC(=O)CCSC(C)CCO 62a_100009893172_100000737597 [0,2,0,0,0,0|2,0,0]=4 15304 B12R0.285 CCNC(=O)CCSC(C)COC 62a_100000737597_100000765312 [0,2,0,0,0,0|2,0,0]=4 15305 B12R0.285 CCNC(=O)CCSC(C)COC 62a_100000765312_100000737597 [0,2,0,0,0,0|2,0,0]=4 15306 B12R0.285 CCNC(=O)CNCC(O)COC 2230a_100000756049_100000183381 [0,2,0,0,0,0|2,0,0]=4 15307 B12R0.285 CCNC(=O)CNCC(O)COC 34a_100000756049_100000183381 [0,2,0,0,0,0|2,0,0]=4 15308 B12R0.285 CCNC(=O)COCC(C)CCN 34a_106354213184_100000183381 [0,2,0,0,0,0|2,0,0]=4 15309 B12R0.285 CCNC(=O)COCC(N)COC 34a_100000724102_100000183381 [0,2,0,0,0,0|2,0,0]=4 15310 B12R0.285 CCNC(=O)CSCC(O)COC 62a_100000183381_100011215053 [0,2,0,0,0,0|2,0,0]=4 15311 B12R0.285 CCNC(=O)CSCC(O)COC 62a_100011215053_100000183381 [0,2,0,0,0,0|2,0,0]=4 15312 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,2,0,0,0,0|1,0,1]=4 15313 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,2,0,0,0,0|1,0,1]=4 15314 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,2,0,0,0,0|1,0,1]=4 15315 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,2,0,0,0,0|1,0,1]=4 15316 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,2,0,0,0,0|1,0,1]=4 15317 B12R0.285 CCOC(=O)CCCN(C)CCO 2230a_100000210263_100009991533 [0,2,0,0,0,0|2,0,0]=4 15318 B12R0.285 CCOC(=O)CCCN(C)CCO 269982a_100000210263_100009991533 [0,2,0,0,0,0|2,0,0]=4 15319 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 2230a_100000706166_100011206558 [0,2,0,0,0,0|2,0,0]=4 15320 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 34a_100000706166_100000765890 [0,2,0,0,0,0|2,0,0]=4 15321 B12R0.285 CCOC(=O)CCN[C@H](C)COC 2230a_100000764878_100011206558 [0,2,0,0,0,0|2,0,0]=4 15322 B12R0.285 CCOC(=O)CCOC(C)CCBr 34a_100012276601_100000765890 [0,2,0,0,0,0|2,0,0]=4 15323 B12R0.285 CCOC(=O)CCO[C@H](C)COC 34a_100011934205_100000765890 [0,2,0,0,0,0|2,0,0]=4 15324 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100000765890_100009893172 [0,2,0,0,0,0|2,0,0]=4 15325 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100009893172_100000765890 [0,2,0,0,0,0|2,0,0]=4 15326 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765312_100000765890 [0,2,0,0,0,0|2,0,0]=4 15327 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765890_100000765312 [0,2,0,0,0,0|2,0,0]=4 15328 B12R0.285 CCOC(=O)CNCC(O)COC 2230a_100000756049_100000188475 [0,2,0,0,0,0|2,0,0]=4 15329 B12R0.285 CCOC(=O)CNCC(O)COC 34a_100000756049_100000188475 [0,2,0,0,0,0|2,0,0]=4 15330 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [0,2,0,0,0,0|2,0,0]=4 15331 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [0,2,0,0,0,0|2,0,0]=4 15332 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100000188475_100011215053 [0,2,0,0,0,0|2,0,0]=4 15333 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100011215053_100000188475 [0,2,0,0,0,0|2,0,0]=4 15334 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [0,2,0,0,0,0|1,0,1]=4 15335 B12R0.434 CCCCCCCC(C)(C)SCC 62a_100000210202_200000046972 [0,2,0,0,0,0|1,0,1]=4 15336 B12R0.434 CCCCCCCC(C)(C)SCC 62a_200000046972_100000210202 [0,2,0,0,0,0|1,0,1]=4 15337 B12R0.434 CCCCCCNS(=O)(=O)CCBr 270084a_100000210581_100000731045 [0,2,0,0,0,0|2,0,0]=4 15338 B12R0.434 CCCCCCNS(=O)(=O)CCBr 274078a_100000210581_100000731045 [0,2,0,0,0,0|2,0,0]=4 15339 B12R0.434 CCCCCCNS(=O)(=O)CCC 270084a_100000210581_100000211391 [0,2,0,0,0,0|2,0,0]=4 15340 B12R0.434 CCCCCCNS(=O)(=O)CCC 274078a_100000210581_100000211391 [0,2,0,0,0,0|2,0,0]=4 15341 B12R0.434 CCCCCCNS(=O)(=O)CCC 40a_100000210581_100000054278 [0,2,0,0,0,0|2,0,0]=4 15342 B12R0.434 CCCCCCNS(=O)(=O)CCCl 270084a_100000210581_100000184613 [0,2,0,0,0,0|2,0,0]=4 15343 B12R0.434 CCCCCCNS(=O)(=O)CCCl 274078a_100000210581_100000184613 [0,2,0,0,0,0|2,0,0]=4 15344 B12R0.57 C#CC(CC)OCCCCCCC 34a_100000758843_100000210614 [0,2,0,0,0,0|1,0,1]=4 15345 B12R0.57 C#CC(CC)OCCCCCCC 7a_100000758843_100000210614 [0,2,0,0,0,0|1,0,1]=4 15346 B12R0.57 C=CC(CC)OCCCCCCC 34a_100000766422_100000210614 [0,2,0,0,0,0|1,0,1]=4 15347 B12R0.57 C=CC(CC)OCCCCCCC 7a_100000766422_100000210614 [0,2,0,0,0,0|1,0,1]=4 15348 B12R0.57 CCCCCCCCC(CC)NC 270004a_106832991635_200011217995 [0,2,0,0,0,0|1,0,1]=4 15349 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,2,0,0,0,0|0,0,2]=4 15350 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,2,0,0,0,0|0,0,2]=4 15351 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,2,0,0,0,0|0,0,2]=4 15352 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,2,0,0,0,0|0,0,2]=4 15353 B12R0.57 CCCCCCCCN(CC)CC 2230a_100000724800_100000210759 [0,2,0,0,0,0|2,0,0]=4 15354 B12R0.57 CCCCCCCCN(CC)CC 269956a_100000042499_100000210759 [0,2,0,0,0,0|2,0,0]=4 15355 B12R0.57 CCCCCCCCN(CC)CC 269982a_100000724800_100000210759 [0,2,0,0,0,0|2,0,0]=4 15356 B12R0.57 CCCCCCCNC(CC)CC 2230a_100000199018_100000210681 [0,2,0,0,0,0|1,0,1]=4 15357 B12R0.57 CCCCCCCNC(CC)CC 270004a_100000229938_100000210860 [0,2,0,0,0,0|1,0,1]=4 15358 B12R0.57 CCCCCCCN[C@@H](CC)CO 2230a_100000709445_100000210681 [0,2,0,0,0,0|0,0,2]=4 15359 B12R0.57 CCCCCCCOC(CC)CC 7a_100000210272_100000210505 [0,2,0,0,0,0|1,0,1]=4 15360 B12R0.57 CCCCCCCOC(CC)CC 7a_100000688536_100000210614 [0,2,0,0,0,0|1,0,1]=4 15361 B12R0.57 CCCCCCCSC(CC)CC 62a_100000210505_100000210316 [0,2,0,0,0,0|1,0,1]=4 15362 B12R0.57 CCCCCCCSC(CC)CC 62a_100000210614_100000210505 [0,2,0,0,0,0|1,0,1]=4 15363 B12R0.57 CCCCCCNCC(CC)CC 2230a_100000210581_100011215472 [0,2,0,0,0,0|1,0,1]=4 15364 B12R0.57 CCCCCCNCC(CC)CC 2230a_100102946423_100000210314 [0,2,0,0,0,0|1,0,1]=4 15365 B12R0.57 CCCCCCNCC(CC)CC 269862a_100000210581_100000211137 [0,2,0,0,0,0|1,0,1]=4 15366 B12R0.57 CCCCCCNCC(CC)CC 270004a_100000210581_100000211137 [0,2,0,0,0,0|1,0,1]=4 15367 B12R0.57 CCCCCCOCC(CC)CC 34a_100000210259_100011215472 [0,2,0,0,0,0|1,0,1]=4 15368 B12R0.57 CCCCCCOCC(CC)CC 7a_100000210259_100011215472 [0,2,0,0,0,0|1,0,1]=4 15369 B12R0.57 CCCCCCOCC(CC)CC 7a_100000703878_100000210314 [0,2,0,0,0,0|1,0,1]=4 15370 B12R0.57 CCCCCCOCC(CC)OC 34a_100011934954_100000210314 [0,2,0,0,0,0|0,0,2]=4 15371 B12R0.57 CCCCCCOCC(CC)OC 7a_100011934954_100000210314 [0,2,0,0,0,0|0,0,2]=4 15372 B12R0.57 CCCCCCOCN(CC)CC 7a_200015374951_100000210314 [0,2,0,0,0,0|2,0,0]=4 15373 B12R0.57 CCCCCCSCC(CC)CC 62a_100000210314_100011215472 [0,2,0,0,0,0|1,0,1]=4 15374 B12R0.57 CCCCCCSCC(CC)CC 62a_100011215472_100000210757 [0,2,0,0,0,0|1,0,1]=4 15375 B12R0.57 CCCCCNCCN(CC)CC 2230a_100000209983_100000700428 [0,2,0,0,0,0|2,0,0]=4 15376 B12R0.57 CCCCCNCCN(CC)CC 2230a_100015382049_100000210326 [0,2,0,0,0,0|2,0,0]=4 15377 B12R0.57 CCCCCOCCN(CC)CC 7a_100000210253_100000700428 [0,2,0,0,0,0|2,0,0]=4 15378 B12R0.57 CCCCCOCCN(CC)CC 7a_100016990331_100000210326 [0,2,0,0,0,0|2,0,0]=4 15379 B12R0.57 CCCCCSCCN(CC)CC 62a_100000210326_100000700428 [0,2,0,0,0,0|2,0,0]=4 15380 B12R0.57 CCCCNCCCN(CC)CC 2230a_100000102301_100000709985 [0,2,0,0,0,0|2,0,0]=4 15381 B12R0.57 CCCCNCCCN(CC)CC 7a_106832991798_100000709985 [0,2,0,0,0,0|2,0,0]=4 15382 B12R0.57 CCCCOCCCN(CC)CC 7a_100000210227_100000709985 [0,2,0,0,0,0|2,0,0]=4 15383 B12R0.57 CCCCOCCCN(CC)CC 7a_100000212844_100000210211 [0,2,0,0,0,0|2,0,0]=4 15384 B12R0.57 CCCCSCCCN(CC)CC 62a_100000210211_100000709985 [0,2,0,0,0,0|2,0,0]=4 15385 B12R0.57 CCCNCCCCN(CC)CC 2230a_100000743895_100000210303 [0,2,0,0,0,0|2,0,0]=4 15386 B12R0.57 CCCOCCCCN(CC)CC 7a_100011305530_100000210303 [0,2,0,0,0,0|2,0,0]=4 15387 B12R0.57 CCCOCCCCN(CC)N=O 34a_200000035056_100000210303 [0,2,0,0,0,0|1,0,0]=3 15388 B12R0.57 CCN(CC)CCCCCCCO 2230a_100000724800_100000760002 [0,2,0,0,0,0|2,0,0]=4 15389 B12R0.57 CCN(CC)CCCCCCCO 269956a_100000042499_100000760002 [0,2,0,0,0,0|2,0,0]=4 15390 B12R0.57 CCN(CC)CCCCCCCO 269982a_100000724800_100000760002 [0,2,0,0,0,0|2,0,0]=4 15391 B12R0.57 CCN(CC)CCCCCCOC 2230a_100000724800_100011998445 [0,2,0,0,0,0|2,0,0]=4 15392 B12R0.57 CCN(CC)CCCCCCOC 269956a_100000042499_100011998445 [0,2,0,0,0,0|2,0,0]=4 15393 B12R0.57 CCN(CC)CCCCCCOC 269982a_100000724800_100011998445 [0,2,0,0,0,0|2,0,0]=4 15394 B12R0.57 CCN(CC)CCCCCCOC 7a_100011632896_200000210301 [0,2,0,0,0,0|2,0,0]=4 15395 B12R0.57 CCN(CC)CCCCCCO[13CH3] 7a_100011632896_200025704644 [0,2,0,0,0,0|2,0,0]=4 15396 B12R0.57 CCN(CCCCOCCF)N=O 34a_200000035056_100011217306 [0,2,0,0,0,0|2,0,0]=4 15397 B12R0.57 CCN(CCCCOCCO)N=O 34a_200000035056_100000211926 [0,2,0,0,0,0|2,0,0]=4 15398 B12R0.57 CCN(CCCCOCSC)N=O 34a_200000035056_100011218213 [0,2,0,0,0,0|2,0,0]=4 15399 B12R0.57 CCNCCCCCN(CC)CC 2230a_100011491781_100000210202 [0,2,0,0,0,0|2,0,0]=4 15400 B12R0.57 CCOCCCCCN(CC)CC 7a_200011629222_100000210202 [0,2,0,0,0,0|2,0,0]=4 15401 B12R0.102 CCC(=O)COC[C@@H](C)OCOC 7a_100016172286_100000747405 [0,2,0,0,0,0|2,0,0]=4 15402 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [0,2,0,0,0,0|1,0,0]=3 15403 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,2,0,0,0,0|1,0,0]=3 15404 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,2,0,0,0,0|1,0,0]=3 15405 B12R0.102 CCCCC(=O)CCCN(C)CC 1458a_100000210183_100015186262 [0,2,0,0,0,0|2,0,0]=4 15406 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [0,2,0,0,0,0|1,0,1]=4 15407 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [0,2,0,0,0,0|1,0,1]=4 15408 B12R0.102 CCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 15409 B12R0.102 CCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 15410 B12R0.102 CCCCC(=O)NCCC(=O)NC 527a_100000738227_100000210183 [0,2,0,0,0,0|1,0,1]=4 15411 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [0,2,0,0,0,0|1,0,1]=4 15412 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,2,0,0,0,0|0,0,0]=2 15413 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [0,2,0,0,0,0|1,0,0]=3 15414 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [0,2,0,0,0,0|1,0,0]=3 15415 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,2,0,0,0,0|1,0,0]=3 15416 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,2,0,0,0,0|1,0,0]=3 15417 B12R0.102 CCCCC(C)COCC(C)CC 34a_100011995851_100000748023 [0,2,0,0,0,0|1,0,1]=4 15418 B12R0.102 CCCCC(C)COCC(C)CC 7a_100011995851_100000748023 [0,2,0,0,0,0|1,0,1]=4 15419 B12R0.102 CCCCC(C)COCC(O)CC 34a_100011995851_100011218378 [0,2,0,0,0,0|0,0,2]=4 15420 B12R0.102 CCCCC(C)COCC(O)CC 7a_100011995851_100011218378 [0,2,0,0,0,0|0,0,2]=4 15421 B12R0.102 CCCCC(C)COC[C@@H](C)CC 34a_100011995851_100009816398 [0,2,0,0,0,0|1,0,1]=4 15422 B12R0.102 CCCCC(C)COC[C@@H](C)CC 7a_100011995851_100009816398 [0,2,0,0,0,0|1,0,1]=4 15423 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000126638_100000737683 [0,2,0,0,0,0|1,0,0]=3 15424 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000738227_200011215066 [0,2,0,0,0,0|1,0,0]=3 15425 B12R0.102 CCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210087 [0,2,0,0,0,0|1,0,0]=3 15426 B12R0.102 CCCCC(C)NCCC(=O)NC 34a_100000738227_200011215066 [0,2,0,0,0,0|1,0,0]=3 15427 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [0,2,0,0,0,0|1,0,0]=3 15428 B12R0.102 CCCCC(C)NCCC(C)CC 2230a_100020591266_200011215066 [0,2,0,0,0,0|1,0,1]=4 15429 B12R0.102 CCCCC(C)NCCC(C)CC 270004a_100020591266_100000210087 [0,2,0,0,0,0|1,0,1]=4 15430 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000687866_100012179268 [0,2,0,0,0,0|1,0,0]=3 15431 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000754576_200011215066 [0,2,0,0,0,0|1,0,0]=3 15432 B12R0.102 CCCCC(C)OCCC(=O)NC 7a_100000687866_100000737683 [0,2,0,0,0,0|1,0,0]=3 15433 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,2,0,0,0,0|1,0,0]=3 15434 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,2,0,0,0,0|1,0,0]=3 15435 B12R0.102 CCCCC(C)OCCC(C)CC 7a_100011215188_200011215066 [0,2,0,0,0,0|1,0,1]=4 15436 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_100000737683_200011215066 [0,2,0,0,0,0|1,0,0]=3 15437 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_200011215066_100000737683 [0,2,0,0,0,0|1,0,0]=3 15438 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [0,2,0,0,0,0|1,0,0]=3 15439 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [0,2,0,0,0,0|1,0,0]=3 15440 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [0,2,0,0,0,0|2,0,0]=4 15441 B12R0.102 CCCCN(C)CCCC(=O)NC 2230a_100000207549_100000741757 [0,2,0,0,0,0|1,0,0]=3 15442 B12R0.102 CCCCN(C)CCCC(=O)NC 269982a_100000207549_100000741757 [0,2,0,0,0,0|1,0,0]=3 15443 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,2,0,0,0,0|1,0,0]=3 15444 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,2,0,0,0,0|1,0,0]=3 15445 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,2,0,0,0,0|1,0,0]=3 15446 B12R0.102 CCCCN(C)CCCN(C)CC 2230a_100000207549_100015186262 [0,2,0,0,0,0|2,0,0]=4 15447 B12R0.102 CCCCN(C)CCCN(C)CC 269982a_100000207549_100015186262 [0,2,0,0,0,0|2,0,0]=4 15448 B12R0.102 CCCCN(C)CCNC(=O)CC 1626a_200000754967_100000210414 [0,2,0,0,0,0|1,0,0]=3 15449 B12R0.102 CCCCN(C)CCNC(=O)CC 240690a_200000754967_100000210414 [0,2,0,0,0,0|1,0,0]=3 15450 B12R0.102 CCCCN(C)CCNC(=O)CC 527a_200000754967_100000210414 [0,2,0,0,0,0|1,0,0]=3 15451 B12R0.102 CCCCN(C)CCNC(=O)CO 240690a_200000754967_100000210174 [0,2,0,0,0,0|2,0,0]=4 15452 B12R0.102 CCCCN(C)CCNC(=O)CO 527a_200000754967_100000210174 [0,2,0,0,0,0|2,0,0]=4 15453 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_100102657272_200000754967 [0,2,0,0,0,0|2,0,0]=4 15454 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_200000754967_106832991635 [0,2,0,0,0,0|2,0,0]=4 15455 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_100102657272_200000754967 [0,2,0,0,0,0|2,0,0]=4 15456 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_200000754967_100102657272 [0,2,0,0,0,0|2,0,0]=4 15457 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_106832991638_200000754967 [0,2,0,0,0,0|2,0,0]=4 15458 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_200000754967_100102657272 [0,2,0,0,0,0|2,0,0]=4 15459 B12R0.102 CCCCN(C)CCOC(=O)NC 269982a_100000207549_200011997002 [0,2,0,0,0,0|2,0,0]=4 15460 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|1,0,0]=3 15461 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|1,0,0]=3 15462 B12R0.102 CCCC[C@H](N)COCC(C)CC 34a_100011934283_100000748023 [0,2,0,0,0,0|1,0,1]=4 15463 B12R0.102 CCCC[C@H](N)COCC(O)CC 34a_100011934283_100011218378 [0,2,0,0,0,0|0,0,2]=4 15464 B12R0.102 CCCC[C@H](N)COC[C@@H](C)CC 34a_100011934283_100009816398 [0,2,0,0,0,0|1,0,1]=4 15465 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [0,2,0,0,0,0|0,0,1]=3 15466 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [0,2,0,0,0,0|0,0,1]=3 15467 B12R0.102 CCCNC(=O)CCCC(=O)CF 1458a_100000199544_100015361967 [0,2,0,0,0,0|1,0,1]=4 15468 B12R0.102 CCCNC(=O)CCCC(=O)CO 1458a_100000210174_100011194427 [0,2,0,0,0,0|1,0,1]=4 15469 B12R0.102 CCCNC(=O)CCCC(=O)NC 11a_106832991635_100000199544 [0,2,0,0,0,0|1,0,1]=4 15470 B12R0.102 CCCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 15471 B12R0.102 CCCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 15472 B12R0.102 CCCNC(=O)CCCC(=O)NC 527a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 15473 B12R0.102 CCCNC(=O)CCCC(=O)OC 11a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 15474 B12R0.102 CCCNC(=O)CCCC(=O)OC 1626a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 15475 B12R0.102 CCCNC(=O)CCCC(=O)OC 240690a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 15476 B12R0.102 CCCNC(=O)CCCC(=O)OC 527a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 15477 B12R0.102 CCCNC(=O)COCC(=O)CC 34a_100000725409_100000183358 [0,2,0,0,0,0|1,0,1]=4 15478 B12R0.102 CCCNC(=O)CSCC(=O)CC 62a_100000183358_100000747405 [0,2,0,0,0,0|1,0,1]=4 15479 B12R0.102 CCCNC(=O)CSCC(=O)CC 62a_100000747405_100000183358 [0,2,0,0,0,0|1,0,1]=4 15480 B12R0.102 CCCOC(=O)COCC(=O)CC 34a_100000725409_200011215008 [0,2,0,0,0,0|1,0,1]=4 15481 B12R0.102 CCCOC(=O)CSCC(=O)CC 62a_100000747405_200011215008 [0,2,0,0,0,0|1,0,1]=4 15482 B12R0.102 CCCOC(=O)CSCC(=O)CC 62a_200011215008_100000747405 [0,2,0,0,0,0|1,0,1]=4 15483 B12R0.102 CCCOC(C)CNCC(=O)NC 2230a_100015185124_100000183359 [0,2,0,0,0,0|2,0,0]=4 15484 B12R0.102 CCCOC(C)CNCC(=O)NC 34a_100015185124_100000183359 [0,2,0,0,0,0|2,0,0]=4 15485 B12R0.102 CCCOC(C)CNCC(=O)OC 2230a_100015185124_100000747449 [0,2,0,0,0,0|2,0,0]=4 15486 B12R0.102 CCCOC(C)CNCC(=O)OC 34a_100015185124_100000747449 [0,2,0,0,0,0|2,0,0]=4 15487 B12R0.102 CCOCC(=O)CCCC(=O)NC 1458a_100000211967_100000741757 [0,2,0,0,0,0|1,0,1]=4 15488 B12R0.102 CCOCC(=O)CCCC(=O)OC 1458a_100000211967_100011218270 [0,2,0,0,0,0|1,0,1]=4 15489 B12R0.102 CCOCC(C)OCCC(=O)NC 34a_100000718985_100012179268 [0,2,0,0,0,0|2,0,0]=4 15490 B12R0.102 CCOCC(C)OCCC(=O)NC 7a_100000718985_100000737683 [0,2,0,0,0,0|2,0,0]=4 15491 B12R0.102 CCOCC(C)OCCC(=O)OC 34a_100000718985_100000742370 [0,2,0,0,0,0|2,0,0]=4 15492 B12R0.102 CCOCC(C)OCCC(=O)OC 7a_100000718985_100000204255 [0,2,0,0,0,0|2,0,0]=4 15493 B12R0.102 CCOCC(O)CNCC(=O)NC 2230a_102515437182_100000183359 [0,2,0,0,0,0|2,0,0]=4 15494 B12R0.102 CCOCC(O)CNCC(=O)NC 34a_102515437182_100000183359 [0,2,0,0,0,0|2,0,0]=4 15495 B12R0.102 CCOCC(O)CNCC(=O)OC 2230a_102515437182_100000747449 [0,2,0,0,0,0|2,0,0]=4 15496 B12R0.102 CCOCC(O)CNCC(=O)OC 34a_102515437182_100000747449 [0,2,0,0,0,0|2,0,0]=4 15497 B12R0.102 CCOCN(C)CCCC(=O)OC 269982a_100000739225_100000739092 [0,2,0,0,0,0|2,0,0]=4 15498 B12R0.102 CCSCC(=O)CCCC(=O)NC 1458a_100000230394_100000741757 [0,2,0,0,0,0|1,0,1]=4 15499 B12R0.102 CCSCC(=O)CCCC(=O)OC 1458a_100000230394_100011218270 [0,2,0,0,0,0|1,0,1]=4 15500 B12R0.102 CCSCC(C)NCCC(=O)NC 270004a_100000738227_200011216171 [0,2,0,0,0,0|2,0,0]=4 15501 B12R0.102 CNC(=O)CCCC(=O)CCOC 1458a_100000749529_100000741757 [0,2,0,0,0,0|1,0,1]=4 15502 B12R0.102 CNC(=O)CCCC(=O)CCSC 1458a_100000174002_100000741757 [0,2,0,0,0,0|1,0,1]=4 15503 B12R0.102 CNC(=O)CCCN(C)CCCO 2230a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 15504 B12R0.102 CNC(=O)CCCN(C)CCCO 269982a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 15505 B12R0.102 CNC(=O)CCCN(C)CCOC 2230a_100000743101_100000741757 [0,2,0,0,0,0|2,0,0]=4 15506 B12R0.102 CNC(=O)CCCN(C)CCOC 269982a_100000743101_100000741757 [0,2,0,0,0,0|2,0,0]=4 15507 B12R0.102 CNC(=O)CCCN(C)CCSC 2230a_100000686725_100000741757 [0,2,0,0,0,0|2,0,0]=4 15508 B12R0.102 CNC(=O)CCCN(C)CCSC 269982a_100000686725_100000741757 [0,2,0,0,0,0|2,0,0]=4 15509 B12R0.102 CNC(=O)CCNC(C)CCOC 270004a_100000738227_100000742357 [0,2,0,0,0,0|2,0,0]=4 15510 B12R0.102 CNC(=O)CCNC(C)CCSC 270004a_100000738227_100011217047 [0,2,0,0,0,0|2,0,0]=4 15511 B12R0.102 CNC(=O)CCOC(C)CCCCl 34a_200000718107_100012179268 [0,2,0,0,0,0|2,0,0]=4 15512 B12R0.102 CNC(=O)CCOC(C)CCCCl 7a_200000718107_100000737683 [0,2,0,0,0,0|2,0,0]=4 15513 B12R0.102 CNC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 15514 B12R0.102 CNC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 15515 B12R0.102 CNC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000183359 [0,2,0,0,0,0|2,0,0]=4 15516 B12R0.102 COC(=O)CCCC(=O)CCCF 1458a_100000239890_100011934791 [0,2,0,0,0,0|1,0,1]=4 15517 B12R0.102 COC(=O)CCCC(=O)CCCO 1458a_100000239890_100011215043 [0,2,0,0,0,0|1,0,1]=4 15518 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000174002_100011218270 [0,2,0,0,0,0|1,0,1]=4 15519 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000239890_100000751147 [0,2,0,0,0,0|1,0,1]=4 15520 B12R0.102 COC(=O)CCCN(C)CCCF 269982a_100000739225_100011934791 [0,2,0,0,0,0|2,0,0]=4 15521 B12R0.102 COC(=O)CCCN(C)CCCO 2230a_100000213112_100011218270 [0,2,0,0,0,0|2,0,0]=4 15522 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000213112_100011218270 [0,2,0,0,0,0|2,0,0]=4 15523 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000739225_100011215043 [0,2,0,0,0,0|2,0,0]=4 15524 B12R0.102 COC(=O)CCCN(C)CCSC 2230a_100000686725_100011218270 [0,2,0,0,0,0|2,0,0]=4 15525 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000686725_100011218270 [0,2,0,0,0,0|2,0,0]=4 15526 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000739225_100000212216 [0,2,0,0,0,0|2,0,0]=4 15527 B12R0.102 COC(=O)CCOC(C)CCCCl 34a_200000718107_100000742370 [0,2,0,0,0,0|2,0,0]=4 15528 B12R0.102 COC(=O)CCOC(C)CCCCl 7a_200000718107_100000204255 [0,2,0,0,0,0|2,0,0]=4 15529 B12R0.102 COC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747449 [0,2,0,0,0,0|2,0,0]=4 15530 B12R0.102 COC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000747449 [0,2,0,0,0,0|2,0,0]=4 15531 B12R0.102 COC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000747449 [0,2,0,0,0,0|2,0,0]=4 15532 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000233755 [0,2,0,0,0,0|1,0,1]=4 15533 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000749529_100011218270 [0,2,0,0,0,0|1,0,1]=4 15534 B12R0.102 COCCN(C)CCCC(=O)OC 2230a_100000743101_100011218270 [0,2,0,0,0,0|2,0,0]=4 15535 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000739225_100000233755 [0,2,0,0,0,0|2,0,0]=4 15536 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000743101_100011218270 [0,2,0,0,0,0|2,0,0]=4 15537 B12R0.113 C#CCCCCC(=O)CC(=O)CC 1458a_100000696528_100000747405 [0,2,0,0,0,0|0,0,2]=4 15538 B12R0.113 C=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000185746 [0,2,0,0,0,0|0,0,2]=4 15539 B12R0.113 C=CC(=O)NC(C)CCCCCC 240690a_100000210919_200121576911 [0,2,0,0,0,0|0,0,2]=4 15540 B12R0.113 C=CCCCCC(=O)CC(=O)CC 1458a_100011215552_100000747405 [0,2,0,0,0,0|0,0,2]=4 15541 B12R0.113 C=CCCCCN(C)CC(=O)CC 269982a_100012000471_100000747405 [0,2,0,0,0,0|0,0,2]=4 15542 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,2,0,0,0,0|0,0,1]=3 15543 B12R0.113 CCC(=O)CC(=O)CCOCCO 1458a_100011229844_100000747405 [0,2,0,0,0,0|1,0,1]=4 15544 B12R0.113 CCC(=O)CC(=O)COCCOC 1458a_100000211095_100000747405 [0,2,0,0,0,0|1,0,1]=4 15545 B12R0.113 CCC(=O)CC(=O)NCCCOC 1458a_100000210414_100000183178 [0,2,0,0,0,0|1,0,1]=4 15546 B12R0.113 CCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747405 [0,2,0,0,0,0|1,0,0]=3 15547 B12R0.113 CCC(=O)CN(C)CCOCCO 269982a_100000228057_100000747405 [0,2,0,0,0,0|2,0,0]=4 15548 B12R0.113 CCC/C=C/CC(=O)CC(=O)CC 1458a_200016266809_100000747405 [0,2,0,0,0,0|0,0,2]=4 15549 B12R0.113 CCCCC=CC(=O)CC(=O)CC 1458a_100016266645_100000747405 [0,2,0,0,0,0|0,0,2]=4 15550 B12R0.113 CCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210757 [0,2,0,0,0,0|1,0,1]=4 15551 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|0,0,0]=2 15552 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|1,0,0]=3 15553 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|1,0,0]=3 15554 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|1,0,0]=3 15555 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,2,0,0,0,0|1,0,1]=4 15556 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,2,0,0,0,0|1,0,1]=4 15557 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,2,0,0,0,0|0,0,2]=4 15558 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,2,0,0,0,0|0,0,2]=4 15559 B12R0.113 CCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210757 [0,2,0,0,0,0|2,0,0]=4 15560 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,2,0,0,0,0|1,0,1]=4 15561 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,2,0,0,0,0|0,0,0]=2 15562 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,2,0,0,0,0|0,0,0]=2 15563 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,2,0,0,0,0|0,0,0]=2 15564 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,2,0,0,0,0|0,0,0]=2 15565 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,2,0,0,0,0|1,0,0]=3 15566 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,2,0,0,0,0|1,0,0]=3 15567 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,2,0,0,0,0|1,0,0]=3 15568 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,2,0,0,0,0|1,0,0]=3 15569 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,2,0,0,0,0|1,0,0]=3 15570 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,2,0,0,0,0|1,0,0]=3 15571 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,2,0,0,0,0|1,0,0]=3 15572 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,2,0,0,0,0|1,0,0]=3 15573 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000209981_100011215978 [0,2,0,0,0,0|1,0,1]=4 15574 B12R0.113 CCCCCCC(C)NC(C)CC 2230a_100000210919_100000758301 [0,2,0,0,0,0|1,0,1]=4 15575 B12R0.113 CCCCCCC(C)NC(C)CC 270004a_100000209981_100000210826 [0,2,0,0,0,0|1,0,1]=4 15576 B12R0.113 CCCCCCC(C)NC(C)CC 34a_100000210919_100011215416 [0,2,0,0,0,0|1,0,1]=4 15577 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,2,0,0,0,0|1,0,1]=4 15578 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,2,0,0,0,0|1,0,1]=4 15579 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,2,0,0,0,0|1,0,1]=4 15580 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100000758301_100011215978 [0,2,0,0,0,0|1,0,1]=4 15581 B12R0.113 CCCCCCC(C)SC(C)CC 62a_100011215978_100000758301 [0,2,0,0,0,0|1,0,1]=4 15582 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,2,0,0,0,0|0,0,0]=2 15583 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [0,2,0,0,0,0|1,0,0]=3 15584 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [0,2,0,0,0,0|1,0,0]=3 15585 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [0,2,0,0,0,0|1,0,0]=3 15586 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,2,0,0,0,0|1,0,0]=3 15587 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,2,0,0,0,0|1,0,0]=3 15588 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,2,0,0,0,0|1,0,0]=3 15589 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_100000753921_100000210314 [0,2,0,0,0,0|1,0,1]=4 15590 B12R0.113 CCCCCCN(C)CC(C)CC 2230a_106256046315_100000748023 [0,2,0,0,0,0|1,0,1]=4 15591 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_100000753921_100000210757 [0,2,0,0,0,0|1,0,1]=4 15592 B12R0.113 CCCCCCN(C)CC(C)CC 269982a_106256046315_100000748023 [0,2,0,0,0,0|1,0,1]=4 15593 B12R0.113 CCCCCCN(C)CC(C)CC 270004a_106256046315_100000243153 [0,2,0,0,0,0|1,0,1]=4 15594 B12R0.113 CCCCCCN(C)CC(O)CC 2230a_106256046315_100011218378 [0,2,0,0,0,0|0,0,2]=4 15595 B12R0.113 CCCCCCN(C)CC(O)CC 269982a_106256046315_100011218378 [0,2,0,0,0,0|0,0,2]=4 15596 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 2230a_106256046315_100009816398 [0,2,0,0,0,0|1,0,1]=4 15597 B12R0.113 CCCCCCN(C)C[C@@H](C)CC 269982a_106256046315_100009816398 [0,2,0,0,0,0|1,0,1]=4 15598 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,2,0,0,0,0|0,0,1]=3 15599 B12R0.113 CCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230301 [0,2,0,0,0,0|1,0,1]=4 15600 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [0,2,0,0,0,0|1,0,1]=4 15601 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,2,0,0,0,0|1,0,0]=3 15602 B12R0.113 CCCCCNC(C)CC(C)CC 2230a_100000763565_100000210326 [0,2,0,0,0,0|1,0,1]=4 15603 B12R0.113 CCCCCNC(C)CC(C)CC 270004a_100000209983_100011710205 [0,2,0,0,0,0|1,0,1]=4 15604 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,2,0,0,0,0|1,0,0]=3 15605 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,2,0,0,0,0|1,0,0]=3 15606 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,2,0,0,0,0|1,0,0]=3 15607 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,2,0,0,0,0|1,0,0]=3 15608 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [0,2,0,0,0,0|1,0,0]=3 15609 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,2,0,0,0,0|0,0,1]=3 15610 B12R0.113 CCCCOCC(=O)CC(=O)NC 1458a_100000757543_100000183359 [0,2,0,0,0,0|1,0,1]=4 15611 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [0,2,0,0,0,0|1,0,1]=4 15612 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [0,2,0,0,0,0|1,0,1]=4 15613 B12R0.113 CCCCOCN(C)CC(=O)NC 2230a_100000189611_100011995733 [0,2,0,0,0,0|2,0,0]=4 15614 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [0,2,0,0,0,0|2,0,0]=4 15615 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,2,0,0,0,0|1,0,0]=3 15616 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,2,0,0,0,0|1,0,0]=3 15617 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,2,0,0,0,0|0,0,1]=3 15618 B12R0.113 CCCCSCC(=O)CC(=O)NC 1458a_100000191162_100000183359 [0,2,0,0,0,0|1,0,1]=4 15619 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [0,2,0,0,0,0|1,0,1]=4 15620 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [0,2,0,0,0,0|1,0,1]=4 15621 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [0,2,0,0,0,0|1,0,1]=4 15622 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [0,2,0,0,0,0|1,0,0]=3 15623 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [0,2,0,0,0,0|1,0,0]=3 15624 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [0,2,0,0,0,0|1,0,1]=4 15625 B12R0.113 CCCOCCN(C)CC(=O)NC 2230a_100000189611_100011215938 [0,2,0,0,0,0|2,0,0]=4 15626 B12R0.113 CCCOCCN(C)CC(=O)OC 2230a_100000198492_100011215938 [0,2,0,0,0,0|2,0,0]=4 15627 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [0,2,0,0,0,0|1,0,1]=4 15628 B12R0.113 CCOCCCN(C)CC(=O)NC 2230a_100000189611_100012232248 [0,2,0,0,0,0|2,0,0]=4 15629 B12R0.113 CCOCCCN(C)CC(=O)OC 2230a_100000198492_100012232248 [0,2,0,0,0,0|2,0,0]=4 15630 B12R0.113 CCOCCNC(C)CC(=O)OC 2230a_102516460346_100009817358 [0,2,0,0,0,0|2,0,0]=4 15631 B12R0.113 CCOCCNC(C)CC(=O)OC 34a_102516460346_100009817358 [0,2,0,0,0,0|2,0,0]=4 15632 B12R0.113 CCOCCOC(=O)CC(=O)CC 1458a_100000210414_200000101388 [0,2,0,0,0,0|1,0,1]=4 15633 B12R0.113 CCOCCOC(C)CC(=O)OC 34a_100000210136_100009817358 [0,2,0,0,0,0|2,0,0]=4 15634 B12R0.113 CCOCCOC(C)CC(=O)OC 7a_100000210136_100009817358 [0,2,0,0,0,0|2,0,0]=4 15635 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100000210147_100009817358 [0,2,0,0,0,0|2,0,0]=4 15636 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100009817358_100011215890 [0,2,0,0,0,0|2,0,0]=4 15637 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000739092_100000754131 [0,2,0,0,0,0|2,0,0]=4 15638 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000754131_100000739092 [0,2,0,0,0,0|2,0,0]=4 15639 B12R0.113 CCSCCNC(C)CC(=O)OC 2230a_100000106463_100009817358 [0,2,0,0,0,0|2,0,0]=4 15640 B12R0.113 CCSCCOC(C)CC(=O)OC 34a_100000212035_100009817358 [0,2,0,0,0,0|2,0,0]=4 15641 B12R0.113 CCSCCOC(C)CC(=O)OC 7a_100000212035_100009817358 [0,2,0,0,0,0|2,0,0]=4 15642 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100000757381_100009817358 [0,2,0,0,0,0|2,0,0]=4 15643 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100009817358_100000757381 [0,2,0,0,0,0|2,0,0]=4 15644 B12R0.113 CNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183359 [0,2,0,0,0,0|1,0,1]=4 15645 B12R0.113 CNC(=O)CN(C)CCCCCF 2230a_100000189611_100000729378 [0,2,0,0,0,0|2,0,0]=4 15646 B12R0.113 CNC(=O)CN(C)CCCCCO 2230a_100000189611_100000746330 [0,2,0,0,0,0|2,0,0]=4 15647 B12R0.113 CNC(=O)CN(C)CCCCCO 2230a_100000722520_100000183359 [0,2,0,0,0,0|2,0,0]=4 15648 B12R0.113 CNC(=O)CN(C)CCCCCO 269982a_100000722520_100000183359 [0,2,0,0,0,0|2,0,0]=4 15649 B12R0.113 CNC(=O)CN(C)CCCCOC 2230a_100000189611_100000730899 [0,2,0,0,0,0|2,0,0]=4 15650 B12R0.113 CNCCCOC(C)CC(=O)OC 34a_100000213112_100009817358 [0,2,0,0,0,0|2,0,0]=4 15651 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [0,2,0,0,0,0|1,0,1]=4 15652 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [0,2,0,0,0,0|1,0,1]=4 15653 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [0,2,0,0,0,0|1,0,1]=4 15654 B12R0.113 COC(=O)CC(C)NCCCCO 2230a_100000750430_100009817358 [0,2,0,0,0,0|2,0,0]=4 15655 B12R0.113 COC(=O)CC(C)NCCCCO 34a_100000750430_100009817358 [0,2,0,0,0,0|2,0,0]=4 15656 B12R0.113 COC(=O)CC(C)NCCCSC 2230a_100000749238_100009817358 [0,2,0,0,0,0|2,0,0]=4 15657 B12R0.113 COC(=O)CC(C)OCCCCBr 34a_100011216708_100009817358 [0,2,0,0,0,0|2,0,0]=4 15658 B12R0.113 COC(=O)CC(C)OCCCCCl 34a_100000210776_100009817358 [0,2,0,0,0,0|2,0,0]=4 15659 B12R0.113 COC(=O)CC(C)OCCCCCl 7a_100000210776_100009817358 [0,2,0,0,0,0|2,0,0]=4 15660 B12R0.113 COC(=O)CC(C)OCCCCF 34a_100011995726_100009817358 [0,2,0,0,0,0|2,0,0]=4 15661 B12R0.113 COC(=O)CC(C)OCCCCF 7a_100011995726_100009817358 [0,2,0,0,0,0|2,0,0]=4 15662 B12R0.113 COC(=O)CC(C)OCCCCI 34a_200012148704_100009817358 [0,2,0,0,0,0|2,0,0]=4 15663 B12R0.113 COC(=O)CC(C)OCCCCN 34a_100000750430_100009817358 [0,2,0,0,0,0|2,0,0]=4 15664 B12R0.113 COC(=O)CC(C)OCCCSC 34a_100000690336_100009817358 [0,2,0,0,0,0|2,0,0]=4 15665 B12R0.113 COC(=O)CC(C)OCCCSC 7a_100000690336_100009817358 [0,2,0,0,0,0|2,0,0]=4 15666 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100000729493_100009817358 [0,2,0,0,0,0|2,0,0]=4 15667 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100009817358_100000729493 [0,2,0,0,0,0|2,0,0]=4 15668 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100000210776_100009817358 [0,2,0,0,0,0|2,0,0]=4 15669 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100009817358_100000210776 [0,2,0,0,0,0|2,0,0]=4 15670 B12R0.113 COC(=O)CN(C)CCCCCF 2230a_100000198492_100000729378 [0,2,0,0,0,0|2,0,0]=4 15671 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000198492_100000746330 [0,2,0,0,0,0|2,0,0]=4 15672 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000722520_100000747449 [0,2,0,0,0,0|2,0,0]=4 15673 B12R0.113 COC(=O)CN(C)CCCCCO 269982a_100000722520_100000747449 [0,2,0,0,0,0|2,0,0]=4 15674 B12R0.113 COC(=O)C[C@@H](O)CNCCCF 34a_100015189416_100000754131 [0,2,0,0,0,0|2,0,0]=4 15675 B12R0.113 COC(=O)C[C@@H](O)COCCCBr 34a_100011217188_100000754131 [0,2,0,0,0,0|2,0,0]=4 15676 B12R0.113 COC(=O)C[C@@H](O)COCCCCl 34a_100000230001_100000754131 [0,2,0,0,0,0|2,0,0]=4 15677 B12R0.113 COC(=O)C[C@@H](O)COCCCF 34a_100000759539_100000754131 [0,2,0,0,0,0|2,0,0]=4 15678 B12R0.113 COC(=O)C[C@@H](O)COCCCN 34a_100000182051_100000754131 [0,2,0,0,0,0|2,0,0]=4 15679 B12R0.113 COC(=O)C[C@@H](O)COCCSC 34a_100000230434_100000754131 [0,2,0,0,0,0|2,0,0]=4 15680 B12R0.113 COC(=O)C[C@@H](O)COCCSC 7a_100000230434_100000754131 [0,2,0,0,0,0|2,0,0]=4 15681 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100000754131_100011934791 [0,2,0,0,0,0|2,0,0]=4 15682 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100011934791_100000754131 [0,2,0,0,0,0|2,0,0]=4 15683 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100000754131_100011215043 [0,2,0,0,0,0|2,0,0]=4 15684 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100011215043_100000754131 [0,2,0,0,0,0|2,0,0]=4 15685 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000212216_100000754131 [0,2,0,0,0,0|2,0,0]=4 15686 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000754131_100000751147 [0,2,0,0,0,0|2,0,0]=4 15687 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [0,2,0,0,0,0|1,0,1]=4 15688 B12R0.113 COCCCCN(C)CC(=O)OC 2230a_100000198492_100000730899 [0,2,0,0,0,0|2,0,0]=4 15689 B12R0.113 COCCCNC(C)CC(=O)OC 34a_100150723488_100009817358 [0,2,0,0,0,0|2,0,0]=4 15690 B12R0.113 COCCCOC(C)CC(=O)OC 34a_100000740835_100009817358 [0,2,0,0,0,0|2,0,0]=4 15691 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100000709357_100009817358 [0,2,0,0,0,0|2,0,0]=4 15692 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100009817358_100000709357 [0,2,0,0,0,0|2,0,0]=4 15693 B12R0.113 COCCOC[C@H](O)CC(=O)OC 34a_100000210237_100000754131 [0,2,0,0,0,0|2,0,0]=4 15694 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000233755_100000754131 [0,2,0,0,0,0|2,0,0]=4 15695 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000233755 [0,2,0,0,0,0|2,0,0]=4 15696 B12R0.142 CCC#CCC(C)OCC(=O)CC 7a_200000035118_100000747405 [0,2,0,0,0,0|0,0,2]=4 15697 B12R0.142 CCC(=O)COC(C)CCCOC 7a_200011539412_100000747405 [0,2,0,0,0,0|1,0,0]=3 15698 B12R0.142 CCC(=O)NCC(=O)CCCCF 1458a_100000194589_100000729493 [0,2,0,0,0,0|1,0,1]=4 15699 B12R0.142 CCC(=O)NCC(=O)CCCCO 1458a_100000194589_100000210776 [0,2,0,0,0,0|1,0,1]=4 15700 B12R0.142 CCC(=O)NCC(=O)CCCOC 1458a_100000194589_100000740836 [0,2,0,0,0,0|1,0,1]=4 15701 B12R0.142 CCCCCC(=NNC(=O)CC)C 4a_100000183195_100000211708 [0,2,0,0,0,0|1,0,1]=4 15702 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,2,0,0,0,0|1,0,0]=3 15703 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,2,0,0,0,0|1,0,0]=3 15704 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [0,2,0,0,0,0|1,0,1]=4 15705 B12R0.142 CCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210326 [0,2,0,0,0,0|2,0,0]=4 15706 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [0,2,0,0,0,0|1,0,0]=3 15707 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [0,2,0,0,0,0|0,0,1]=3 15708 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [0,2,0,0,0,0|1,0,1]=4 15709 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 15710 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 15711 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 15712 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,2,0,0,0,0|1,0,1]=4 15713 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000183195_100000212188 [0,2,0,0,0,0|1,0,1]=4 15714 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000189784_100000210414 [0,2,0,0,0,0|1,0,1]=4 15715 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,2,0,0,0,0|0,0,0]=2 15716 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,2,0,0,0,0|1,0,0]=3 15717 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,2,0,0,0,0|1,0,0]=3 15718 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 15719 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 15720 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 15721 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [0,2,0,0,0,0|1,0,0]=3 15722 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [0,2,0,0,0,0|1,0,0]=3 15723 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [0,2,0,0,0,0|1,0,0]=3 15724 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,2,0,0,0,0|1,0,0]=3 15725 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100000211957_100000748023 [0,2,0,0,0,0|1,0,1]=4 15726 B12R0.142 CCCCCC(C)NCC(C)CC 2230a_100020588543_200011218191 [0,2,0,0,0,0|1,0,1]=4 15727 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100000211957_100000243153 [0,2,0,0,0,0|1,0,1]=4 15728 B12R0.142 CCCCCC(C)NCC(C)CC 270004a_100020588543_100000211708 [0,2,0,0,0,0|1,0,1]=4 15729 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100000211957_100011218378 [0,2,0,0,0,0|0,0,2]=4 15730 B12R0.142 CCCCCC(C)NCC(O)CC 2230a_100011218483_200011218191 [0,2,0,0,0,0|0,0,2]=4 15731 B12R0.142 CCCCCC(C)NCC(O)CC 270004a_100011218483_100000211708 [0,2,0,0,0,0|0,0,2]=4 15732 B12R0.142 CCCCCC(C)NC[C@@H](C)CC 2230a_100000211957_100009816398 [0,2,0,0,0,0|1,0,1]=4 15733 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|0,0,0]=2 15734 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|0,0,0]=2 15735 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [0,2,0,0,0,0|1,0,0]=3 15736 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [0,2,0,0,0,0|1,0,0]=3 15737 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [0,2,0,0,0,0|1,0,0]=3 15738 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,2,0,0,0,0|1,0,0]=3 15739 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,2,0,0,0,0|1,0,0]=3 15740 B12R0.142 CCCCCC(C)OCC(C)CC 34a_100011215632_100000748023 [0,2,0,0,0,0|1,0,1]=4 15741 B12R0.142 CCCCCC(C)OCC(C)CC 7a_100011215632_100000748023 [0,2,0,0,0,0|1,0,1]=4 15742 B12R0.142 CCCCCC(C)OCC(O)CC 34a_100011215632_100011218378 [0,2,0,0,0,0|0,0,2]=4 15743 B12R0.142 CCCCCC(C)OCC(O)CC 7a_100011215632_100011218378 [0,2,0,0,0,0|0,0,2]=4 15744 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 34a_100011215632_100009816398 [0,2,0,0,0,0|1,0,1]=4 15745 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011218191 [0,2,0,0,0,0|1,0,1]=4 15746 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100011215632_100009816398 [0,2,0,0,0,0|1,0,1]=4 15747 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,2,0,0,0,0|0,0,0]=2 15748 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,2,0,0,0,0|0,0,0]=2 15749 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [0,2,0,0,0,0|1,0,0]=3 15750 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [0,2,0,0,0,0|1,0,0]=3 15751 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,2,0,0,0,0|1,0,0]=3 15752 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,2,0,0,0,0|1,0,0]=3 15753 B12R0.142 CCCCCC(C)SCC(C)CC 62a_100000748023_200011218191 [0,2,0,0,0,0|1,0,1]=4 15754 B12R0.142 CCCCCC(C)SCC(C)CC 62a_200011218191_100000748023 [0,2,0,0,0,0|1,0,1]=4 15755 B12R0.142 CCCCCC(C)SCC(O)CC 62a_100011218378_200011218191 [0,2,0,0,0,0|0,0,2]=4 15756 B12R0.142 CCCCCC(C)SCC(O)CC 62a_200011218191_100011218378 [0,2,0,0,0,0|0,0,2]=4 15757 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_100009816398_200011218191 [0,2,0,0,0,0|1,0,1]=4 15758 B12R0.142 CCCCCC(C)SC[C@@H](C)CC 62a_200011218191_100009816398 [0,2,0,0,0,0|1,0,1]=4 15759 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,2,0,0,0,0|0,0,0]=2 15760 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [0,2,0,0,0,0|1,0,0]=3 15761 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [0,2,0,0,0,0|1,0,0]=3 15762 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [0,2,0,0,0,0|1,0,0]=3 15763 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [0,2,0,0,0,0|1,0,0]=3 15764 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [0,2,0,0,0,0|1,0,0]=3 15765 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [0,2,0,0,0,0|1,0,0]=3 15766 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,2,0,0,0,0|1,0,0]=3 15767 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,2,0,0,0,0|1,0,0]=3 15768 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,2,0,0,0,0|1,0,0]=3 15769 B12R0.142 CCCCNC(=O)CCC(=O)NC 11a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 15770 B12R0.142 CCCCNC(=O)CCC(=O)NC 1626a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 15771 B12R0.142 CCCCNC(=O)CCC(=O)NC 240690a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 15772 B12R0.142 CCCCNC(=O)CCC(=O)NC 527a_100000102301_100011309844 [0,2,0,0,0,0|1,0,1]=4 15773 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 15774 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 15775 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 15776 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 15777 B12R0.142 CCCCNC(=O)CCS(=O)CC 11a_100000102301_100011387550 [0,2,0,0,0,0|1,0,1]=4 15778 B12R0.142 CCCCNC(=O)CCS(=O)CC 1626a_100000102301_100011387550 [0,2,0,0,0,0|1,0,1]=4 15779 B12R0.142 CCCCNC(=O)CCS(=O)CC 240690a_100000102301_100011387550 [0,2,0,0,0,0|1,0,1]=4 15780 B12R0.142 CCCCNC(=O)CCS(=O)CC 527a_100000102301_100011387550 [0,2,0,0,0,0|1,0,1]=4 15781 B12R0.142 CCCCNC(=O)CNC(=O)CC 11a_100000102301_100000194589 [0,2,0,0,0,0|1,0,1]=4 15782 B12R0.142 CCCCNC(=O)CNC(=O)CC 1626a_100000102301_100000194589 [0,2,0,0,0,0|1,0,1]=4 15783 B12R0.142 CCCCNC(=O)CNC(=O)CC 240690a_100000102301_100000194589 [0,2,0,0,0,0|1,0,1]=4 15784 B12R0.142 CCCCNC(=O)CNC(=O)CC 527a_100000102301_100000194589 [0,2,0,0,0,0|1,0,1]=4 15785 B12R0.142 CCCCOC(C)CCC(C)CC 7a_200011216552_100000210211 [0,2,0,0,0,0|1,0,1]=4 15786 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [0,2,0,0,0,0|1,0,1]=4 15787 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000210303_100000691467 [0,2,0,0,0,0|1,0,1]=4 15788 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210303 [0,2,0,0,0,0|1,0,1]=4 15789 B12R0.142 CCCSCC(C)NCC(=O)NC 270004a_100000693194_100011343953 [0,2,0,0,0,0|2,0,0]=4 15790 B12R0.142 CCOCCC(=O)CCC(=O)NC 1458a_100011309844_100011215890 [0,2,0,0,0,0|1,0,1]=4 15791 B12R0.142 CCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215890 [0,2,0,0,0,0|1,0,1]=4 15792 B12R0.142 CCOCCC(=O)CCS(=O)CC 1458a_100011387550_100011215890 [0,2,0,0,0,0|1,0,1]=4 15793 B12R0.142 CCOCCC(=O)CNC(=O)CC 1458a_100000194589_100011215890 [0,2,0,0,0,0|1,0,1]=4 15794 B12R0.142 CCOCCC(C)NCC(=O)NC 270004a_100000693194_200011216536 [0,2,0,0,0,0|2,0,0]=4 15795 B12R0.142 CCOCCN(C)CCC(=O)NC 2230a_100000750875_100011215890 [0,2,0,0,0,0|2,0,0]=4 15796 B12R0.142 CCOCCN(C)CCC(=O)NC 269982a_100000750875_100011215890 [0,2,0,0,0,0|2,0,0]=4 15797 B12R0.142 CCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215890 [0,2,0,0,0,0|2,0,0]=4 15798 B12R0.142 CCS(=O)CCC(=O)CCCCF 1458a_100011387550_100000729493 [0,2,0,0,0,0|1,0,1]=4 15799 B12R0.142 CCS(=O)CCC(=O)CCCCO 1458a_100011387550_100000210776 [0,2,0,0,0,0|1,0,1]=4 15800 B12R0.142 CCS(=O)CCC(=O)CCCOC 1458a_100011387550_100000740836 [0,2,0,0,0,0|1,0,1]=4 15801 B12R0.142 CCSCCC(=O)CCC(=O)NC 1458a_100011309844_100000757381 [0,2,0,0,0,0|1,0,1]=4 15802 B12R0.142 CCSCCC(=O)CCC(=O)OC 1458a_100000187943_100000757381 [0,2,0,0,0,0|1,0,1]=4 15803 B12R0.142 CCSCCC(=O)CCS(=O)CC 1458a_100011387550_100000757381 [0,2,0,0,0,0|1,0,1]=4 15804 B12R0.142 CCSCCC(=O)CNC(=O)CC 1458a_100000194589_100000757381 [0,2,0,0,0,0|1,0,1]=4 15805 B12R0.142 CCSCCN(C)CCC(=O)NC 2230a_100000750875_100000757381 [0,2,0,0,0,0|2,0,0]=4 15806 B12R0.142 CCSCCN(C)CCC(=O)NC 269982a_100000750875_100000757381 [0,2,0,0,0,0|2,0,0]=4 15807 B12R0.142 CCSCCN(C)CCC(=O)OC 269982a_100025711912_100000757381 [0,2,0,0,0,0|2,0,0]=4 15808 B12R0.142 CNC(=O)CCC(=O)CCCCF 1458a_100011309844_100000729493 [0,2,0,0,0,0|1,0,1]=4 15809 B12R0.142 CNC(=O)CCC(=O)CCCCO 1458a_100011309844_100000210776 [0,2,0,0,0,0|1,0,1]=4 15810 B12R0.142 CNC(=O)CCC(=O)CCCOC 1458a_100011309844_100000740836 [0,2,0,0,0,0|1,0,1]=4 15811 B12R0.142 CNC(=O)CCN(C)CCCCF 2230a_100000750875_100000729493 [0,2,0,0,0,0|2,0,0]=4 15812 B12R0.142 CNC(=O)CCN(C)CCCCF 269982a_100000750875_100000729493 [0,2,0,0,0,0|2,0,0]=4 15813 B12R0.142 CNC(=O)CCN(C)CCCCO 2230a_100000717598_100000737683 [0,2,0,0,0,0|2,0,0]=4 15814 B12R0.142 CNC(=O)CCN(C)CCCCO 2230a_100000750875_100000210776 [0,2,0,0,0,0|2,0,0]=4 15815 B12R0.142 CNC(=O)CCN(C)CCCCO 269982a_100000717598_100000737683 [0,2,0,0,0,0|2,0,0]=4 15816 B12R0.142 CNC(=O)CCN(C)CCCCO 269982a_100000750875_100000210776 [0,2,0,0,0,0|2,0,0]=4 15817 B12R0.142 CNC(=O)CCN(C)CCCOC 2230a_100000224831_100000737683 [0,2,0,0,0,0|2,0,0]=4 15818 B12R0.142 CNC(=O)CCN(C)CCCOC 2230a_100000750875_100000740836 [0,2,0,0,0,0|2,0,0]=4 15819 B12R0.142 CNC(=O)CCN(C)CCCOC 269982a_100000224831_100000737683 [0,2,0,0,0,0|2,0,0]=4 15820 B12R0.142 CNC(=O)CCN(C)CCCOC 269982a_100000750875_100000740836 [0,2,0,0,0,0|2,0,0]=4 15821 B12R0.142 CNC(=O)CNC(C)CCCSC 270004a_100000693194_100011399439 [0,2,0,0,0,0|2,0,0]=4 15822 B12R0.142 CNC(=O)COC(C)CCCOC 34a_200011539412_100000183359 [0,2,0,0,0,0|2,0,0]=4 15823 B12R0.142 CNC(=O)COC(C)CCCOC 7a_200011539412_100000183359 [0,2,0,0,0,0|2,0,0]=4 15824 B12R0.142 COC(=O)CCC(=O)CCCCF 1458a_100000187943_100000729493 [0,2,0,0,0,0|1,0,1]=4 15825 B12R0.142 COC(=O)CCC(=O)CCCCO 1458a_100000187943_100000210776 [0,2,0,0,0,0|1,0,1]=4 15826 B12R0.142 COC(=O)CCN(C)CCCCF 269982a_100025711912_100000729493 [0,2,0,0,0,0|2,0,0]=4 15827 B12R0.142 COC(=O)CCN(C)CCCCO 2230a_100000717598_100000204255 [0,2,0,0,0,0|2,0,0]=4 15828 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100000717598_100000204255 [0,2,0,0,0,0|2,0,0]=4 15829 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100025711912_100000210776 [0,2,0,0,0,0|2,0,0]=4 15830 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [0,2,0,0,0,0|1,0,1]=4 15831 B12R0.142 COCCCC(C)OCC(=O)OC 34a_200011539412_100000747449 [0,2,0,0,0,0|2,0,0]=4 15832 B12R0.142 COCCCC(C)OCC(=O)OC 7a_200011539412_100000747449 [0,2,0,0,0,0|2,0,0]=4 15833 B12R0.142 COCCCN(C)CCC(=O)OC 2230a_100000224831_100000204255 [0,2,0,0,0,0|2,0,0]=4 15834 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100000224831_100000204255 [0,2,0,0,0,0|2,0,0]=4 15835 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100025711912_100000740836 [0,2,0,0,0,0|2,0,0]=4 15836 B12R0.183 C#CC(C)NCCCCC(=O)OC 2230a_100000707721_100000204269 [0,2,0,0,0,0|2,0,0]=4 15837 B12R0.183 C#CC(C)NCCCCC(=O)OC 34a_100000707721_100000204269 [0,2,0,0,0,0|2,0,0]=4 15838 B12R0.183 C#CC(C)OCCCCC(=O)OC 34a_100000059025_200000035995 [0,2,0,0,0,0|2,0,0]=4 15839 B12R0.183 C#CC(C)SCCCCC(=O)OC 62a_200000035995_100000204269 [0,2,0,0,0,0|2,0,0]=4 15840 B12R0.183 C#CC(O)CCCCCC(=O)CC 1458a_100000210414_200010408556 [0,2,0,0,0,0|0,0,1]=3 15841 B12R0.183 C#CC(O)CCCCCC(=O)CO 1458a_100000210174_200010408556 [0,2,0,0,0,0|1,0,1]=4 15842 B12R0.183 C#C[C@@H](C)OCCCCC(=O)OC 34a_100009815206_100000204269 [0,2,0,0,0,0|2,0,0]=4 15843 B12R0.183 C#C[C@@H](C)OCCCCC(=O)OC 7a_100009815206_100000204269 [0,2,0,0,0,0|2,0,0]=4 15844 B12R0.183 C=CC(C)COCCCC(=O)NC 34a_100011215527_100000741757 [0,2,0,0,0,0|2,0,0]=4 15845 B12R0.183 C=CC(C)COCCCC(=O)NC 7a_100011215527_100000741757 [0,2,0,0,0,0|2,0,0]=4 15846 B12R0.183 C=CC(C)COCCCC(=O)OC 34a_100011215527_100000742333 [0,2,0,0,0,0|2,0,0]=4 15847 B12R0.183 C=CC(C)COCCCC(=O)OC 7a_100011215527_100011218270 [0,2,0,0,0,0|2,0,0]=4 15848 B12R0.183 C=CC(C)OCCCCC(=O)OC 34a_100000695699_100000204269 [0,2,0,0,0,0|2,0,0]=4 15849 B12R0.183 C=CC(C)SCCCCC(=O)OC 62a_100011215867_100000204269 [0,2,0,0,0,0|2,0,0]=4 15850 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,2,0,0,0,0|0,0,1]=3 15851 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,2,0,0,0,0|0,0,1]=3 15852 B12R0.183 CCC(=O)COCCCC(=O)NC 34a_100000725409_100000741757 [0,2,0,0,0,0|1,0,1]=4 15853 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [0,2,0,0,0,0|1,0,1]=4 15854 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,2,0,0,0,0|0,0,0]=2 15855 B12R0.183 CCC(=O)COCCNC(=O)CC 7a_200000158885_100000747405 [0,2,0,0,0,0|1,0,1]=4 15856 B12R0.183 CCC(=O)COCCOC(=O)CC 7a_200000031056_100000747405 [0,2,0,0,0,0|1,0,1]=4 15857 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000741757_100000747405 [0,2,0,0,0,0|1,0,1]=4 15858 B12R0.183 CCC(=O)CSCCCC(=O)NC 62a_100000747405_100000741757 [0,2,0,0,0,0|1,0,1]=4 15859 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100000747405_100011218270 [0,2,0,0,0,0|1,0,1]=4 15860 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747405 [0,2,0,0,0,0|1,0,1]=4 15861 B12R0.183 CCC(=O)CSCCCN(C)CC 62a_100000747405_100015186262 [0,2,0,0,0,0|1,0,0]=3 15862 B12R0.183 CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210414 [0,2,0,0,0,0|1,0,1]=4 15863 B12R0.183 CCC(=O)NCCNCC(C)CC 270004a_100132302217_100000243153 [0,2,0,0,0,0|1,0,0]=3 15864 B12R0.183 CCC(=O)NCCNCC(C)CC 34a_100132302217_100000748023 [0,2,0,0,0,0|1,0,0]=3 15865 B12R0.183 CCC(=O)NCCNCC(O)CC 34a_100132302217_100011218378 [0,2,0,0,0,0|1,0,0]=3 15866 B12R0.183 CCC(=O)NCCNCC(O)CO 34a_100132302217_100011219619 [0,2,0,0,0,0|2,0,0]=4 15867 B12R0.183 CCC(=O)NCCNC[C@@H](C)CC 34a_100132302217_100009816398 [0,2,0,0,0,0|1,0,0]=3 15868 B12R0.183 CCC(=O)NCCNC[C@@H](C)CO 34a_100132302217_100000059175 [0,2,0,0,0,0|2,0,0]=4 15869 B12R0.183 CCC(=O)NCCNC[C@@H](O)CF 34a_100132302217_100015614560 [0,2,0,0,0,0|2,0,0]=4 15870 B12R0.183 CCC(=O)NCCNC[C@@H](O)CO 34a_100132302217_100009815848 [0,2,0,0,0,0|2,0,0]=4 15871 B12R0.183 CCC(=O)NCCOCC(C)CC 34a_200000158885_100000748023 [0,2,0,0,0,0|1,0,0]=3 15872 B12R0.183 CCC(=O)NCCOCC(C)CC 7a_200000158885_100000748023 [0,2,0,0,0,0|1,0,0]=3 15873 B12R0.183 CCC(=O)NCCOCC(O)CC 34a_200000158885_100011218378 [0,2,0,0,0,0|1,0,0]=3 15874 B12R0.183 CCC(=O)NCCOCC(O)CC 7a_200000158885_100011218378 [0,2,0,0,0,0|1,0,0]=3 15875 B12R0.183 CCC(=O)NCCOCC(O)CO 34a_200000158885_100011219619 [0,2,0,0,0,0|2,0,0]=4 15876 B12R0.183 CCC(=O)NCCOCC(O)CO 7a_200000158885_100011219619 [0,2,0,0,0,0|2,0,0]=4 15877 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 34a_200000158885_100009816398 [0,2,0,0,0,0|1,0,0]=3 15878 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 7a_200000158885_100009816398 [0,2,0,0,0,0|1,0,0]=3 15879 B12R0.183 CCC(=O)NCCOC[C@@H](C)CO 34a_200000158885_100000059175 [0,2,0,0,0,0|2,0,0]=4 15880 B12R0.183 CCC(=O)NCCOC[C@@H](C)CO 7a_200000158885_100000059175 [0,2,0,0,0,0|2,0,0]=4 15881 B12R0.183 CCC(=O)NCCOC[C@@H](O)CF 34a_200000158885_100015614560 [0,2,0,0,0,0|2,0,0]=4 15882 B12R0.183 CCC(=O)NCCOC[C@@H](O)CF 7a_200000158885_100015614560 [0,2,0,0,0,0|2,0,0]=4 15883 B12R0.183 CCC(=O)NCCOC[C@@H](O)CO 34a_200000158885_100009815848 [0,2,0,0,0,0|2,0,0]=4 15884 B12R0.183 CCC(=O)NCCOC[C@@H](O)CO 7a_200000158885_100009815848 [0,2,0,0,0,0|2,0,0]=4 15885 B12R0.183 CCC(=O)OCCOCC(C)CC 7a_200000031056_100000748023 [0,2,0,0,0,0|1,0,0]=3 15886 B12R0.183 CCC(=O)OCCOCC(O)CC 7a_200000031056_100011218378 [0,2,0,0,0,0|1,0,0]=3 15887 B12R0.183 CCC(=O)OCCOCC(O)CO 7a_200000031056_100011219619 [0,2,0,0,0,0|2,0,0]=4 15888 B12R0.183 CCC(=O)OCCOC[C@@H](C)CC 7a_200000031056_100009816398 [0,2,0,0,0,0|1,0,0]=3 15889 B12R0.183 CCC(=O)OCCOC[C@@H](C)CO 7a_200000031056_100000059175 [0,2,0,0,0,0|2,0,0]=4 15890 B12R0.183 CCC(=O)OCCOC[C@@H](O)CF 7a_200000031056_100015614560 [0,2,0,0,0,0|2,0,0]=4 15891 B12R0.183 CCC(=O)OCCOC[C@@H](O)CO 7a_200000031056_100009815848 [0,2,0,0,0,0|2,0,0]=4 15892 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [0,2,0,0,0,0|1,0,0]=3 15893 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,2,0,0,0,0|1,0,0]=3 15894 B12R0.183 CCC(C)CCCOCC(C)CC 7a_100011216074_100000748023 [0,2,0,0,0,0|1,0,1]=4 15895 B12R0.183 CCC(C)CCCOCC(O)CC 7a_100011216074_100011218378 [0,2,0,0,0,0|0,0,2]=4 15896 B12R0.183 CCC(C)CCCOC[C@@H](C)CC 7a_100011216074_100009816398 [0,2,0,0,0,0|1,0,1]=4 15897 B12R0.183 CCC(C)CCNCCC(=O)NC 2230a_100020591266_100000737683 [0,2,0,0,0,0|1,0,0]=3 15898 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,2,0,0,0,0|1,0,0]=3 15899 B12R0.183 CCC(C)CCOCCC(=O)NC 7a_100011215188_100000737683 [0,2,0,0,0,0|1,0,0]=3 15900 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,2,0,0,0,0|1,0,0]=3 15901 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100000740002_100000748023 [0,2,0,0,0,0|1,0,0]=3 15902 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100020588543_100000741757 [0,2,0,0,0,0|1,0,0]=3 15903 B12R0.183 CCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243153 [0,2,0,0,0,0|1,0,0]=3 15904 B12R0.183 CCC(C)CNCCCC(=O)NC 34a_100000740002_100000748023 [0,2,0,0,0,0|1,0,0]=3 15905 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,2,0,0,0,0|1,0,0]=3 15906 B12R0.183 CCC(C)CNCCCN(C)CC 2230a_100020588543_100015186262 [0,2,0,0,0,0|2,0,0]=4 15907 B12R0.183 CCC(C)CNCCNC(=O)NC 34a_100015205895_100000748023 [0,2,0,0,0,0|2,0,0]=4 15908 B12R0.183 CCC(C)COCCCC(=O)NN 34a_100000211488_100000748023 [0,2,0,0,0,0|2,0,0]=4 15909 B12R0.183 CCC(C)COCCNC(=O)OC 34a_100000757965_100000748023 [0,2,0,0,0,0|2,0,0]=4 15910 B12R0.183 CCC(C)COCCOC(=O)OC 34a_100010262106_100000748023 [0,2,0,0,0,0|2,0,0]=4 15911 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000741757_100000748023 [0,2,0,0,0,0|1,0,0]=3 15912 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000748023_100000741757 [0,2,0,0,0,0|1,0,0]=3 15913 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,2,0,0,0,0|1,0,0]=3 15914 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,2,0,0,0,0|1,0,0]=3 15915 B12R0.183 CCC(C)CSCCCN(C)CC 62a_100000748023_100015186262 [0,2,0,0,0,0|2,0,0]=4 15916 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_100000748023_200011997002 [0,2,0,0,0,0|2,0,0]=4 15917 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_200011997002_100000748023 [0,2,0,0,0,0|2,0,0]=4 15918 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,2,0,0,0,0|1,0,0]=3 15919 B12R0.183 CCC(C)NCCOCC(=O)OC 2230a_100000209981_100000090808 [0,2,0,0,0,0|2,0,0]=4 15920 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,2,0,0,0,0|1,0,0]=3 15921 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,2,0,0,0,0|1,0,0]=3 15922 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,2,0,0,0,0|1,0,0]=3 15923 B12R0.183 CCC(C)OCCOCC(=O)OC 7a_100000210228_100000090808 [0,2,0,0,0,0|2,0,0]=4 15924 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,2,0,0,0,0|1,0,0]=3 15925 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,2,0,0,0,0|1,0,0]=3 15926 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000090808_100000758301 [0,2,0,0,0,0|2,0,0]=4 15927 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000758301_100000090808 [0,2,0,0,0,0|2,0,0]=4 15928 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100000740002_100011218378 [0,2,0,0,0,0|1,0,0]=3 15929 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100011218483_100000741757 [0,2,0,0,0,0|1,0,0]=3 15930 B12R0.183 CCC(O)CNCCCC(=O)NC 34a_100000740002_100011218378 [0,2,0,0,0,0|1,0,0]=3 15931 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,2,0,0,0,0|1,0,0]=3 15932 B12R0.183 CCC(O)CNCCCN(C)CC 2230a_100011218483_100015186262 [0,2,0,0,0,0|2,0,0]=4 15933 B12R0.183 CCC(O)CNCCNC(=O)NC 34a_100015205895_100011218378 [0,2,0,0,0,0|2,0,0]=4 15934 B12R0.183 CCC(O)COCCCC(=O)NN 34a_100000211488_100011218378 [0,2,0,0,0,0|2,0,0]=4 15935 B12R0.183 CCC(O)COCCNC(=O)OC 34a_100000757965_100011218378 [0,2,0,0,0,0|2,0,0]=4 15936 B12R0.183 CCC(O)COCCOC(=O)OC 34a_100010262106_100011218378 [0,2,0,0,0,0|2,0,0]=4 15937 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100000741757_100011218378 [0,2,0,0,0,0|1,0,0]=3 15938 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100011218378_100000741757 [0,2,0,0,0,0|1,0,0]=3 15939 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,2,0,0,0,0|1,0,0]=3 15940 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,2,0,0,0,0|1,0,0]=3 15941 B12R0.183 CCC(O)CSCCCN(C)CC 62a_100011218378_100015186262 [0,2,0,0,0,0|2,0,0]=4 15942 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_100011218378_200011997002 [0,2,0,0,0,0|2,0,0]=4 15943 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_200011997002_100011218378 [0,2,0,0,0,0|2,0,0]=4 15944 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,2,0,0,0,0|1,0,0]=3 15945 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,2,0,0,0,0|1,0,0]=3 15946 B12R0.183 CCN(C)CCCNCC(=O)NC 2230a_100000693194_100015186262 [0,2,0,0,0,0|2,0,0]=4 15947 B12R0.183 CCN(C)CCCSCC(=O)NC 62a_100000183359_100015186262 [0,2,0,0,0,0|2,0,0]=4 15948 B12R0.183 CCN(C)CCCSCC(=O)OC 62a_100000747449_100015186262 [0,2,0,0,0,0|2,0,0]=4 15949 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 2230a_100000740002_100009816398 [0,2,0,0,0,0|1,0,0]=3 15950 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 34a_100000740002_100009816398 [0,2,0,0,0,0|1,0,0]=3 15951 B12R0.183 CC[C@H](C)CNCCNC(=O)NC 34a_100015205895_100009816398 [0,2,0,0,0,0|2,0,0]=4 15952 B12R0.183 CC[C@H](C)COCCCC(=O)NC 7a_100009816381_100000741757 [0,2,0,0,0,0|1,0,0]=3 15953 B12R0.183 CC[C@H](C)COCCCC(=O)NN 34a_100000211488_100009816398 [0,2,0,0,0,0|2,0,0]=4 15954 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,2,0,0,0,0|1,0,0]=3 15955 B12R0.183 CC[C@H](C)COCCCN(C)CC 7a_100009816381_100015186262 [0,2,0,0,0,0|2,0,0]=4 15956 B12R0.183 CC[C@H](C)COCCNC(=O)OC 34a_100000757965_100009816398 [0,2,0,0,0,0|2,0,0]=4 15957 B12R0.183 CC[C@H](C)COCCOC(=O)NC 7a_100009816381_200011997002 [0,2,0,0,0,0|2,0,0]=4 15958 B12R0.183 CC[C@H](C)COCCOC(=O)OC 34a_100010262106_100009816398 [0,2,0,0,0,0|2,0,0]=4 15959 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100000741757_100009816398 [0,2,0,0,0,0|1,0,0]=3 15960 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100009816398_100000741757 [0,2,0,0,0,0|1,0,0]=3 15961 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,2,0,0,0,0|1,0,0]=3 15962 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,2,0,0,0,0|1,0,0]=3 15963 B12R0.183 CC[C@H](C)CSCCCN(C)CC 62a_100009816398_100015186262 [0,2,0,0,0,0|2,0,0]=4 15964 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_100009816398_200011997002 [0,2,0,0,0,0|2,0,0]=4 15965 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_200011997002_100009816398 [0,2,0,0,0,0|2,0,0]=4 15966 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [0,2,0,0,0,0|1,0,1]=4 15967 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [0,2,0,0,0,0|1,0,1]=4 15968 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [0,2,0,0,0,0|1,0,1]=4 15969 B12R0.183 CNC(=O)CCCNCC(C)CO 34a_100000744482_100000741757 [0,2,0,0,0,0|2,0,0]=4 15970 B12R0.183 CNC(=O)CCCNCC(O)CO 2230a_100000740002_100011219619 [0,2,0,0,0,0|2,0,0]=4 15971 B12R0.183 CNC(=O)CCCNCC(O)CO 34a_100000740002_100011219619 [0,2,0,0,0,0|2,0,0]=4 15972 B12R0.183 CNC(=O)CCCNC[C@@H](C)CO 2230a_100000740002_100000059175 [0,2,0,0,0,0|2,0,0]=4 15973 B12R0.183 CNC(=O)CCCNC[C@@H](C)CO 34a_100000740002_100000059175 [0,2,0,0,0,0|2,0,0]=4 15974 B12R0.183 CNC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100000741757 [0,2,0,0,0,0|2,0,0]=4 15975 B12R0.183 CNC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000741757 [0,2,0,0,0,0|2,0,0]=4 15976 B12R0.183 CNC(=O)CCCNC[C@@H](O)CF 2230a_100000740002_100015614560 [0,2,0,0,0,0|2,0,0]=4 15977 B12R0.183 CNC(=O)CCCNC[C@@H](O)CF 34a_100000740002_100015614560 [0,2,0,0,0,0|2,0,0]=4 15978 B12R0.183 CNC(=O)CCCNC[C@@H](O)CO 2230a_100000740002_100009815848 [0,2,0,0,0,0|2,0,0]=4 15979 B12R0.183 CNC(=O)CCCNC[C@@H](O)CO 34a_100000740002_100009815848 [0,2,0,0,0,0|2,0,0]=4 15980 B12R0.183 CNC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100000741757 [0,2,0,0,0,0|2,0,0]=4 15981 B12R0.183 CNC(=O)CCCOCC(C)CN 34a_100000744482_100000741757 [0,2,0,0,0,0|2,0,0]=4 15982 B12R0.183 CNC(=O)CCCOCC(C)OC 34a_100000690652_100000741757 [0,2,0,0,0,0|2,0,0]=4 15983 B12R0.183 CNC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000741757 [0,2,0,0,0,0|2,0,0]=4 15984 B12R0.183 CNC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000741757 [0,2,0,0,0,0|2,0,0]=4 15985 B12R0.183 CNC(=O)CCCSCC(O)CO 62a_100000741757_100011219619 [0,2,0,0,0,0|2,0,0]=4 15986 B12R0.183 CNC(=O)CCCSCC(O)CO 62a_100011219619_100000741757 [0,2,0,0,0,0|2,0,0]=4 15987 B12R0.183 CNC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100000741757 [0,2,0,0,0,0|2,0,0]=4 15988 B12R0.183 CNC(=O)CCCSC[C@@H](C)CO 62a_100000741757_100000059175 [0,2,0,0,0,0|2,0,0]=4 15989 B12R0.183 CNC(=O)CCCSC[C@@H](O)CF 62a_100000741757_100015614560 [0,2,0,0,0,0|2,0,0]=4 15990 B12R0.183 CNC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100000741757 [0,2,0,0,0,0|2,0,0]=4 15991 B12R0.183 CNC(=O)CCCSC[C@@H](O)CO 62a_100000741757_100009815848 [0,2,0,0,0,0|2,0,0]=4 15992 B12R0.183 CNC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100000741757 [0,2,0,0,0,0|2,0,0]=4 15993 B12R0.183 CNC(=O)CCNCCC(C)CO 2230a_106354213184_100000737683 [0,2,0,0,0,0|2,0,0]=4 15994 B12R0.183 CNC(=O)CCNCCC(C)CO 34a_106354213184_100012179268 [0,2,0,0,0,0|2,0,0]=4 15995 B12R0.183 CNC(=O)CCOCCC(C)OC 7a_100000764861_100000737683 [0,2,0,0,0,0|2,0,0]=4 15996 B12R0.183 CNC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000183359 [0,2,0,0,0,0|2,0,0]=4 15997 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [0,2,0,0,0,0|1,0,1]=4 15998 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [0,2,0,0,0,0|1,0,1]=4 15999 B12R0.183 COC(=O)CCCCNC(C)C#N 2230a_100000737613_100000204269 [0,2,0,0,0,0|2,0,0]=4 16000 B12R0.183 COC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000204269 [0,2,0,0,0,0|2,0,0]=4 16001 B12R0.183 COC(=O)CCCCOC(C)C#N 34a_100011218135_100000204269 [0,2,0,0,0,0|2,0,0]=4 16002 B12R0.183 COC(=O)CCCCOC(C)C#N 7a_100000059025_100000703298 [0,2,0,0,0,0|2,0,0]=4 16003 B12R0.183 COC(=O)CCCCOC(C)CF 34a_100016041109_100000204269 [0,2,0,0,0,0|2,0,0]=4 16004 B12R0.183 COC(=O)CCCCOC(C)CF 7a_100016041109_100000204269 [0,2,0,0,0,0|2,0,0]=4 16005 B12R0.183 COC(=O)CCCCOC(C)CN 34a_100000210904_100000204269 [0,2,0,0,0,0|2,0,0]=4 16006 B12R0.183 COC(=O)CCCCOC(C)CO 34a_100000059025_100012180447 [0,2,0,0,0,0|2,0,0]=4 16007 B12R0.183 COC(=O)CCCCOC(C)CO 7a_100000059025_100012180447 [0,2,0,0,0,0|2,0,0]=4 16008 B12R0.183 COC(=O)CCCCSC(C)C#N 62a_100000204269_100000703298 [0,2,0,0,0,0|2,0,0]=4 16009 B12R0.183 COC(=O)CCCCSC(C)C#N 62a_100000703298_100000204269 [0,2,0,0,0,0|2,0,0]=4 16010 B12R0.183 COC(=O)CCCCSC(C)CO 62a_100012180447_100000204269 [0,2,0,0,0,0|2,0,0]=4 16011 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100000204269_100009879195 [0,2,0,0,0,0|2,0,0]=4 16012 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100009879195_100000204269 [0,2,0,0,0,0|2,0,0]=4 16013 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100000204269_100016084084 [0,2,0,0,0,0|2,0,0]=4 16014 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000204269 [0,2,0,0,0,0|2,0,0]=4 16015 B12R0.183 COC(=O)CCCNCC(C)CO 34a_100000744482_100000742333 [0,2,0,0,0,0|2,0,0]=4 16016 B12R0.183 COC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100011218270 [0,2,0,0,0,0|2,0,0]=4 16017 B12R0.183 COC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000742333 [0,2,0,0,0,0|2,0,0]=4 16018 B12R0.183 COC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100011218270 [0,2,0,0,0,0|2,0,0]=4 16019 B12R0.183 COC(=O)CCCOCC(C)CN 34a_100000744482_100000742333 [0,2,0,0,0,0|2,0,0]=4 16020 B12R0.183 COC(=O)CCCOCC(C)OC 34a_100000690652_100000742333 [0,2,0,0,0,0|2,0,0]=4 16021 B12R0.183 COC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000742333 [0,2,0,0,0,0|2,0,0]=4 16022 B12R0.183 COC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000742333 [0,2,0,0,0,0|2,0,0]=4 16023 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011218270_100011219619 [0,2,0,0,0,0|2,0,0]=4 16024 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011219619_100011218270 [0,2,0,0,0,0|2,0,0]=4 16025 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011218270 [0,2,0,0,0,0|2,0,0]=4 16026 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100011218270_100000059175 [0,2,0,0,0,0|2,0,0]=4 16027 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100011218270_100015614560 [0,2,0,0,0,0|2,0,0]=4 16028 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011218270 [0,2,0,0,0,0|2,0,0]=4 16029 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011218270 [0,2,0,0,0,0|2,0,0]=4 16030 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100011218270_100009815848 [0,2,0,0,0,0|2,0,0]=4 16031 B12R0.183 COC(=O)CCNCCC(C)CO 2230a_106354213184_100000204255 [0,2,0,0,0,0|2,0,0]=4 16032 B12R0.183 COC(=O)CCNCCC(C)CO 34a_106354213184_100000742370 [0,2,0,0,0,0|2,0,0]=4 16033 B12R0.183 COC(=O)CCOCCC(C)OC 7a_100000764861_100000204255 [0,2,0,0,0,0|2,0,0]=4 16034 B12R0.183 COC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000747449 [0,2,0,0,0,0|2,0,0]=4 16035 B12R0.184 C=C(C)CCNCCCC(=O)NC 2230a_100000740002_100000730704 [0,2,0,0,0,0|1,0,1]=4 16036 B12R0.184 C=C(C)CCNCCCC(=O)NC 34a_100000740002_100000730704 [0,2,0,0,0,0|1,0,1]=4 16037 B12R0.184 C=C(C)CCNCCNC(=O)CC 34a_100132302217_100000730704 [0,2,0,0,0,0|1,0,1]=4 16038 B12R0.184 C=C(C)CCOCCCC(=O)NC 34a_100000764851_100000741757 [0,2,0,0,0,0|1,0,1]=4 16039 B12R0.184 C=C(C)CCOCCCC(=O)OC 34a_100000764851_100000742333 [0,2,0,0,0,0|1,0,1]=4 16040 B12R0.184 C=C(C)CCOCCNC(=O)CC 34a_200000158885_100000730704 [0,2,0,0,0,0|1,0,1]=4 16041 B12R0.184 C=C(C)CCOCCNC(=O)CC 7a_200000158885_100000730704 [0,2,0,0,0,0|1,0,1]=4 16042 B12R0.184 C=C(C)CCOCCOC(=O)CC 7a_200000031056_100000730704 [0,2,0,0,0,0|1,0,1]=4 16043 B12R0.184 C=C(C)CCSCCCC(=O)NC 62a_100000730704_100000741757 [0,2,0,0,0,0|1,0,1]=4 16044 B12R0.184 C=C(C)CCSCCCC(=O)NC 62a_100000741757_100000730704 [0,2,0,0,0,0|1,0,1]=4 16045 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100000730704_100011218270 [0,2,0,0,0,0|1,0,1]=4 16046 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100011218270_100000730704 [0,2,0,0,0,0|1,0,1]=4 16047 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000059025_100000748629 [0,2,0,0,0,0|1,0,1]=4 16048 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000210245_100000204269 [0,2,0,0,0,0|1,0,1]=4 16049 B12R0.184 C=C(C)COCCCCC(=O)OC 7a_100000059025_100000748629 [0,2,0,0,0,0|1,0,1]=4 16050 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000204269_100000211660 [0,2,0,0,0,0|1,0,1]=4 16051 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000748629_100000204269 [0,2,0,0,0,0|1,0,1]=4 16052 B12R0.184 C=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000185746 [0,2,0,0,0,0|0,0,2]=4 16053 B12R0.184 C=CC(=O)NCCCCCC(C)C 240690a_100011290863_200121576911 [0,2,0,0,0,0|0,0,2]=4 16054 B12R0.184 CC(=O)NCCCCCC(=O)CF 1458a_100000183861_100015361967 [0,2,0,0,0,0|1,0,1]=4 16055 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,2,0,0,0,0|1,0,1]=4 16056 B12R0.184 CC(C)/C=C/CCCCC(=O)CF 1458a_200016995844_100015361967 [0,2,0,0,0,0|1,0,1]=4 16057 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [0,2,0,0,0,0|1,0,0]=3 16058 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [0,2,0,0,0,0|1,0,0]=3 16059 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [0,2,0,0,0,0|1,0,0]=3 16060 B12R0.184 CC(C)CCOCCCC(=O)NN 34a_100000211488_100000210312 [0,2,0,0,0,0|2,0,0]=4 16061 B12R0.184 CC(C)COCCCNC(=O)CO 240690a_100000205972_100000210174 [0,2,0,0,0,0|2,0,0]=4 16062 B12R0.184 CC(C)COCCCNC(=O)CO 527a_100000205972_100000210174 [0,2,0,0,0,0|2,0,0]=4 16063 B12R0.184 CC(O)CCOCCCC(=O)NN 34a_100000211488_100012276601 [0,2,0,0,0,0|2,0,0]=4 16064 B12R0.184 CCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210202 [0,2,0,0,0,0|0,0,1]=3 16065 B12R0.184 CCC(=O)CCCCCCB(O)O 1458a_100000210414_100009817187 [0,2,0,0,0,0|1,0,0]=3 16066 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,2,0,0,0,0|0,0,0]=2 16067 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,2,0,0,0,0|0,0,1]=3 16068 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,2,0,0,0,0|0,0,1]=3 16069 B12R0.184 CCC(=O)CCOCCOC(=O)C 1458a_100000210414_200000083610 [0,2,0,0,0,0|1,0,1]=4 16070 B12R0.184 CCC(=O)COCCCCB(O)O 34a_100000725409_200009817182 [0,2,0,0,0,0|2,0,0]=4 16071 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,2,0,0,0,0|0,0,1]=3 16072 B12R0.184 CCC(=O)COCCCCC(=O)N 7a_100012022536_100000747405 [0,2,0,0,0,0|1,0,1]=4 16073 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,2,0,0,0,0|0,0,0]=2 16074 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,2,0,0,0,0|0,0,0]=2 16075 B12R0.184 CCC(=O)COCCCC[N+](=O)[O-] 7a_200015379883_100000747405 [0,2,0,0,0,0|2,0,0]=4 16076 B12R0.184 CCC(=O)COCCCOC(=O)C 34a_100000725409_100000042594 [0,2,0,0,0,0|1,0,1]=4 16077 B12R0.184 CCC(=O)COCCCOC(=S)C 34a_100000725409_200135323944 [0,2,0,0,0,0|1,0,1]=4 16078 B12R0.184 CCC(=O)COCCCSC(=O)C 34a_100000725409_100000038929 [0,2,0,0,0,0|1,0,1]=4 16079 B12R0.184 CCC(=O)COCCOCC(C)C 7a_100000703358_100000747405 [0,2,0,0,0,0|1,0,0]=3 16080 B12R0.184 CCC(=O)COCCOCC(F)F 34a_100000725409_200012177212 [0,2,0,0,0,0|2,0,0]=4 16081 B12R0.184 CCC(=O)COCCOCC(F)F 7a_100000704375_100000747405 [0,2,0,0,0,0|2,0,0]=4 16082 B12R0.184 CCC(=O)COCCSCC(C)C 7a_200000230437_100000747405 [0,2,0,0,0,0|1,0,0]=3 16083 B12R0.184 CCC(=O)CSCCCCB(O)O 62a_100000747405_200009817182 [0,2,0,0,0,0|2,0,0]=4 16084 B12R0.184 CCC(=O)CSCCCCB(O)O 62a_200009817182_100000747405 [0,2,0,0,0,0|2,0,0]=4 16085 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,2,0,0,0,0|0,0,1]=3 16086 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,2,0,0,0,0|0,0,1]=3 16087 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,2,0,0,0,0|0,0,0]=2 16088 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,2,0,0,0,0|0,0,0]=2 16089 B12R0.184 CCC(=O)CSCCCCN(C)C 62a_100000747405_100000690147 [0,2,0,0,0,0|1,0,0]=3 16090 B12R0.184 CCC(=O)CSCCCOC(=O)C 62a_100000042594_100000747405 [0,2,0,0,0,0|1,0,1]=4 16091 B12R0.184 CCC(=O)CSCCCOC(=O)C 62a_100000747405_100000042594 [0,2,0,0,0,0|1,0,1]=4 16092 B12R0.184 CCC(=O)CSCCCOC(=S)C 62a_100000747405_200135323944 [0,2,0,0,0,0|1,0,1]=4 16093 B12R0.184 CCC(=O)CSCCCOC(=S)C 62a_200135323944_100000747405 [0,2,0,0,0,0|1,0,1]=4 16094 B12R0.184 CCC(=O)CSCCCSC(=O)C 62a_100000038929_100000747405 [0,2,0,0,0,0|1,0,1]=4 16095 B12R0.184 CCC(=O)CSCCCSC(=O)C 62a_100000747405_100000038929 [0,2,0,0,0,0|1,0,1]=4 16096 B12R0.184 CCC(=O)CSCCOCC(F)F 62a_100000747405_200012177212 [0,2,0,0,0,0|2,0,0]=4 16097 B12R0.184 CCC(=O)CSCCOCC(F)F 62a_200012177212_100000747405 [0,2,0,0,0,0|2,0,0]=4 16098 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,2,0,0,0,0|0,0,0]=2 16099 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,2,0,0,0,0|0,0,0]=2 16100 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,2,0,0,0,0|0,0,0]=2 16101 B12R0.184 CCC(=O)NCCCCCN(C)C 240690a_100020635752_100000210414 [0,2,0,0,0,0|1,0,0]=3 16102 B12R0.184 CCC(=O)NCCCCNC(=O)C 11a_200011368371_100000210414 [0,2,0,0,0,0|1,0,1]=4 16103 B12R0.184 CCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000210414 [0,2,0,0,0,0|1,0,1]=4 16104 B12R0.184 CCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000210414 [0,2,0,0,0,0|1,0,1]=4 16105 B12R0.184 CCC(=O)NCCCCNC(=O)C 527a_200011368371_100000210414 [0,2,0,0,0,0|1,0,1]=4 16106 B12R0.184 CCC(=O)NCCCOCC(C)C 11a_100000205972_100000210414 [0,2,0,0,0,0|1,0,0]=3 16107 B12R0.184 CCC(=O)NCCCOCC(C)C 1626a_100000205972_100000210414 [0,2,0,0,0,0|1,0,0]=3 16108 B12R0.184 CCC(=O)NCCCOCC(C)C 240690a_100000205972_100000210414 [0,2,0,0,0,0|1,0,0]=3 16109 B12R0.184 CCC(=O)NCCCOCC(C)C 527a_100000205972_100000210414 [0,2,0,0,0,0|1,0,0]=3 16110 B12R0.184 CCC(=O)NCCNCCC(C)C 269862a_100132302217_100000185833 [0,2,0,0,0,0|1,0,0]=3 16111 B12R0.184 CCC(=O)NCCNCCC(C)C 34a_100132302217_100000210312 [0,2,0,0,0,0|1,0,0]=3 16112 B12R0.184 CCC(=O)NCCNCCC(C)O 34a_100132302217_100012276601 [0,2,0,0,0,0|1,0,0]=3 16113 B12R0.184 CCC(=O)NCCNCOC(C)C 34a_100132302217_100000709892 [0,2,0,0,0,0|2,0,0]=4 16114 B12R0.184 CCC(=O)NCCOCCC(=O)C 7a_200000158885_100000053229 [0,2,0,0,0,0|1,0,1]=4 16115 B12R0.184 CCC(=O)NCCOCCC(C)C 34a_200000158885_100000210312 [0,2,0,0,0,0|1,0,0]=3 16116 B12R0.184 CCC(=O)NCCOCCC(C)C 7a_200000158885_100000210626 [0,2,0,0,0,0|1,0,0]=3 16117 B12R0.184 CCC(=O)NCCOCCC(C)O 34a_200000158885_100012276601 [0,2,0,0,0,0|1,0,0]=3 16118 B12R0.184 CCC(=O)NCCOCCC(C)O 7a_200000158885_100012276601 [0,2,0,0,0,0|1,0,0]=3 16119 B12R0.184 CCC(=O)NCCOCCN(C)C 240690a_200153394208_100000210414 [0,2,0,0,0,0|2,0,0]=4 16120 B12R0.184 CCC(=O)NCCOCCN(C)C 527a_200153394208_100000210414 [0,2,0,0,0,0|2,0,0]=4 16121 B12R0.184 CCC(=O)NCCOCCN(C)C 7a_200000158885_100000755713 [0,2,0,0,0,0|2,0,0]=4 16122 B12R0.184 CCC(=O)NCCOCOC(C)C 34a_200000158885_100000709892 [0,2,0,0,0,0|2,0,0]=4 16123 B12R0.184 CCC(=O)OCCOCCC(=O)C 7a_200000031056_100000053229 [0,2,0,0,0,0|1,0,1]=4 16124 B12R0.184 CCC(=O)OCCOCCC(C)C 7a_200000031056_100000210626 [0,2,0,0,0,0|1,0,0]=3 16125 B12R0.184 CCC(=O)OCCOCCC(C)O 7a_200000031056_100012276601 [0,2,0,0,0,0|1,0,0]=3 16126 B12R0.184 CCC(=O)OCCOCCN(C)C 7a_200000031056_100000755713 [0,2,0,0,0,0|2,0,0]=4 16127 B12R0.184 CCC(C)CCCCCOC(C)C 7a_200000035636_100000210206 [0,2,0,0,0,0|1,0,1]=4 16128 B12R0.184 CCC(C)CCCOCCC(C)C 7a_100011216074_100000210626 [0,2,0,0,0,0|1,0,1]=4 16129 B12R0.184 CCC(C)CCCOCCC(C)O 7a_100011216074_100012276601 [0,2,0,0,0,0|1,0,1]=4 16130 B12R0.184 CCC(C)CCNCCCC(C)C 2230a_100020591266_100011214892 [0,2,0,0,0,0|1,0,1]=4 16131 B12R0.184 CCC(C)CCNCCCC(C)O 2230a_100020591266_200000718107 [0,2,0,0,0,0|1,0,1]=4 16132 B12R0.184 CCC(C)CCOCCCC(C)C 7a_100011215188_100011214892 [0,2,0,0,0,0|1,0,1]=4 16133 B12R0.184 CCC(C)CCOCCCC(C)O 7a_100011215188_200000718107 [0,2,0,0,0,0|1,0,1]=4 16134 B12R0.184 CCC(C)CNCCCCC(C)C 2230a_100020588543_100011216152 [0,2,0,0,0,0|1,0,1]=4 16135 B12R0.184 CCC(C)COCCCCC(C)C 34a_100011214890_100000748023 [0,2,0,0,0,0|1,0,1]=4 16136 B12R0.184 CCC(C)COCCCCC(C)C 7a_100011214890_100000748023 [0,2,0,0,0,0|1,0,1]=4 16137 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100000748023_100011216152 [0,2,0,0,0,0|1,0,1]=4 16138 B12R0.184 CCC(C)CSCCCCC(C)C 62a_100011216152_100000748023 [0,2,0,0,0,0|1,0,1]=4 16139 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100000209981_100000210682 [0,2,0,0,0,0|1,0,1]=4 16140 B12R0.184 CCC(C)NCCCCCC(C)C 2230a_100011290863_100000758301 [0,2,0,0,0,0|1,0,1]=4 16141 B12R0.184 CCC(C)NCCCCCC(C)C 34a_100011290863_100011215416 [0,2,0,0,0,0|1,0,1]=4 16142 B12R0.184 CCC(C)OCCCCCC(C)C 34a_100011995859_100011215416 [0,2,0,0,0,0|1,0,1]=4 16143 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100000210228_100000210682 [0,2,0,0,0,0|1,0,1]=4 16144 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100011995859_100000758301 [0,2,0,0,0,0|1,0,1]=4 16145 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000210682_100000758301 [0,2,0,0,0,0|1,0,1]=4 16146 B12R0.184 CCC(C)SCCCCCC(C)C 62a_100000758301_100000210682 [0,2,0,0,0,0|1,0,1]=4 16147 B12R0.184 CCC(O)CNCCCCC(C)C 2230a_100011218483_100011216152 [0,2,0,0,0,0|0,0,2]=4 16148 B12R0.184 CCC(O)COCCCCC(C)C 34a_100011214890_100011218378 [0,2,0,0,0,0|0,0,2]=4 16149 B12R0.184 CCC(O)COCCCCC(C)C 7a_100011214890_100011218378 [0,2,0,0,0,0|0,0,2]=4 16150 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011216152_100011218378 [0,2,0,0,0,0|0,0,2]=4 16151 B12R0.184 CCC(O)CSCCCCC(C)C 62a_100011218378_100011216152 [0,2,0,0,0,0|0,0,2]=4 16152 B12R0.184 CCN(C)CCCNCCC(C)O 2230a_200000755665_100015186262 [0,2,0,0,0,0|2,0,0]=4 16153 B12R0.184 CCN(C)CCCOCCC(C)C 7a_100000210254_100015186262 [0,2,0,0,0,0|2,0,0]=4 16154 B12R0.184 CCN(C)CCCSCCC(C)C 62a_100000210312_100015186262 [0,2,0,0,0,0|2,0,0]=4 16155 B12R0.184 CCN(C)CCCSCCC(C)O 62a_100012276601_100015186262 [0,2,0,0,0,0|2,0,0]=4 16156 B12R0.184 CC[C@H](C)COCCCCC(C)C 34a_100011214890_100009816398 [0,2,0,0,0,0|1,0,1]=4 16157 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100009816381_100011216152 [0,2,0,0,0,0|1,0,1]=4 16158 B12R0.184 CC[C@H](C)COCCCCC(C)C 7a_100011214890_100009816398 [0,2,0,0,0,0|1,0,1]=4 16159 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100009816398_100011216152 [0,2,0,0,0,0|1,0,1]=4 16160 B12R0.184 CC[C@H](C)CSCCCCC(C)C 62a_100011216152_100009816398 [0,2,0,0,0,0|1,0,1]=4 16161 B12R0.184 CN(C)CCCCCNC(=O)CO 240690a_100020635752_100000210174 [0,2,0,0,0,0|2,0,0]=4 16162 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 11a_106832991635_200016995844 [0,2,0,0,0,0|1,0,1]=4 16163 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 1626a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 16164 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 240690a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 16165 B12R0.184 CNC(=O)CCCC/C=C/C(C)C 527a_100102657272_200016995844 [0,2,0,0,0,0|1,0,1]=4 16166 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [0,2,0,0,0,0|1,0,0]=3 16167 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 16168 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 16169 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 16170 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [0,2,0,0,0,0|1,0,1]=4 16171 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [0,2,0,0,0,0|1,0,1]=4 16172 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [0,2,0,0,0,0|1,0,1]=4 16173 B12R0.184 CNC(=O)CCCNCCC(C)C 2230a_100000740002_100000210312 [0,2,0,0,0,0|1,0,0]=3 16174 B12R0.184 CNC(=O)CCCNCCC(C)C 269862a_100000740002_100000185833 [0,2,0,0,0,0|1,0,0]=3 16175 B12R0.184 CNC(=O)CCCNCCC(C)C 34a_100000740002_100000210312 [0,2,0,0,0,0|1,0,0]=3 16176 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_100000740002_100012276601 [0,2,0,0,0,0|1,0,0]=3 16177 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_200000755665_100000741757 [0,2,0,0,0,0|1,0,0]=3 16178 B12R0.184 CNC(=O)CCCNCCC(C)O 34a_100000740002_100012276601 [0,2,0,0,0,0|1,0,0]=3 16179 B12R0.184 CNC(=O)CCCNCOC(C)C 2230a_100000740002_100000709892 [0,2,0,0,0,0|2,0,0]=4 16180 B12R0.184 CNC(=O)CCCNCOC(C)C 34a_100000740002_100000709892 [0,2,0,0,0,0|2,0,0]=4 16181 B12R0.184 CNC(=O)CCCOCCC(=O)C 34a_100000759926_100000741757 [0,2,0,0,0,0|1,0,1]=4 16182 B12R0.184 CNC(=O)CCCOCCC(=O)C 7a_100000759926_100000741757 [0,2,0,0,0,0|1,0,1]=4 16183 B12R0.184 CNC(=O)CCCOCCC(C)Br 34a_100009893172_100000741757 [0,2,0,0,0,0|1,0,0]=3 16184 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [0,2,0,0,0,0|1,0,0]=3 16185 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [0,2,0,0,0,0|1,0,0]=3 16186 B12R0.184 CNC(=O)CCCOCCC(F)F 34a_100103093639_100000741757 [0,2,0,0,0,0|2,0,0]=4 16187 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [0,2,0,0,0,0|1,0,0]=3 16188 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000053229_100000741757 [0,2,0,0,0,0|1,0,1]=4 16189 B12R0.184 CNC(=O)CCCSCCC(=O)C 62a_100000741757_100000053229 [0,2,0,0,0,0|1,0,1]=4 16190 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000210312_100000741757 [0,2,0,0,0,0|1,0,0]=3 16191 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000741757_100000210312 [0,2,0,0,0,0|1,0,0]=3 16192 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100000741757_100012276601 [0,2,0,0,0,0|1,0,0]=3 16193 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100012276601_100000741757 [0,2,0,0,0,0|1,0,0]=3 16194 B12R0.184 CNC(=O)CCCSCCN(C)C 62a_100000741757_100000755713 [0,2,0,0,0,0|2,0,0]=4 16195 B12R0.184 CNC(=O)CCCSCOC(C)C 62a_100000709892_100000741757 [0,2,0,0,0,0|2,0,0]=4 16196 B12R0.184 CNC(=O)CCCSCOC(C)C 62a_100000741757_100000709892 [0,2,0,0,0,0|2,0,0]=4 16197 B12R0.184 CNC(=O)CCNCCCC(=O)C 34a_100000738227_100000685027 [0,2,0,0,0,0|1,0,1]=4 16198 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_100000738227_100011214892 [0,2,0,0,0,0|1,0,0]=3 16199 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737683 [0,2,0,0,0,0|1,0,0]=3 16200 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_100000738227_100011214892 [0,2,0,0,0,0|1,0,0]=3 16201 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_200000737386_100012179268 [0,2,0,0,0,0|1,0,0]=3 16202 B12R0.184 CNC(=O)CCNCCCC(C)O 2230a_100000738227_200000718107 [0,2,0,0,0,0|1,0,0]=3 16203 B12R0.184 CNC(=O)CCNCCCC(C)O 34a_100000738227_200000718107 [0,2,0,0,0,0|1,0,0]=3 16204 B12R0.184 CNC(=O)CCNCCCS(=O)C 2230a_200000753449_100000737683 [0,2,0,0,0,0|2,0,0]=4 16205 B12R0.184 CNC(=O)CCNCCOC(C)C 2230a_100000701111_100000737683 [0,2,0,0,0,0|2,0,0]=4 16206 B12R0.184 CNC(=O)CCNCCOC(C)C 2230a_100000738227_100000211751 [0,2,0,0,0,0|2,0,0]=4 16207 B12R0.184 CNC(=O)CCNCCOC(C)C 34a_100000701111_100012179268 [0,2,0,0,0,0|2,0,0]=4 16208 B12R0.184 CNC(=O)CCNCCOC(C)C 34a_100000738227_100000211751 [0,2,0,0,0,0|2,0,0]=4 16209 B12R0.184 CNC(=O)CCNCCSC(C)C 2230a_100000731138_100000737683 [0,2,0,0,0,0|2,0,0]=4 16210 B12R0.184 CNC(=O)CCNCCSC(C)C 2230a_100000738227_100000730970 [0,2,0,0,0,0|2,0,0]=4 16211 B12R0.184 CNC(=O)CCNCCSC(C)C 34a_100000731138_100012179268 [0,2,0,0,0,0|2,0,0]=4 16212 B12R0.184 CNC(=O)CCNCCSC(C)C 34a_100000738227_100000730970 [0,2,0,0,0,0|2,0,0]=4 16213 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000754576_100000685027 [0,2,0,0,0,0|1,0,1]=4 16214 B12R0.184 CNC(=O)CCOCCCC(=O)C 34a_100000759063_100012179268 [0,2,0,0,0,0|1,0,1]=4 16215 B12R0.184 CNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737683 [0,2,0,0,0,0|1,0,1]=4 16216 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [0,2,0,0,0,0|1,0,0]=3 16217 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [0,2,0,0,0,0|1,0,0]=3 16218 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [0,2,0,0,0,0|1,0,0]=3 16219 B12R0.184 CNC(=O)CCOCCCC(C)O 34a_100000754576_200000718107 [0,2,0,0,0,0|1,0,0]=3 16220 B12R0.184 CNC(=O)CCOCCNC(C)C 34a_100000224655_100012179268 [0,2,0,0,0,0|2,0,0]=4 16221 B12R0.184 CNC(=O)CCOCCOC(C)C 34a_100000211219_100012179268 [0,2,0,0,0,0|2,0,0]=4 16222 B12R0.184 CNC(=O)CCOCCOC(C)C 34a_100000754576_100000211751 [0,2,0,0,0,0|2,0,0]=4 16223 B12R0.184 CNC(=O)CCOCCOC(C)C 7a_100000211219_100000737683 [0,2,0,0,0,0|2,0,0]=4 16224 B12R0.184 CNC(=O)CCOCCSC(C)C 34a_100000754576_100000730970 [0,2,0,0,0,0|2,0,0]=4 16225 B12R0.184 CNC(=O)CCOCCSC(C)C 34a_200011212901_100012179268 [0,2,0,0,0,0|2,0,0]=4 16226 B12R0.184 CNC(=O)CCOCCSC(C)C 7a_200011212901_100000737683 [0,2,0,0,0,0|2,0,0]=4 16227 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100000737683_100011215641 [0,2,0,0,0,0|1,0,1]=4 16228 B12R0.184 CNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737683 [0,2,0,0,0,0|1,0,1]=4 16229 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100000737683_100011214892 [0,2,0,0,0,0|1,0,0]=3 16230 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100011214892_100000737683 [0,2,0,0,0,0|1,0,0]=3 16231 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_100000737683_200000718107 [0,2,0,0,0,0|1,0,0]=3 16232 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_200000718107_100000737683 [0,2,0,0,0,0|1,0,0]=3 16233 B12R0.184 CNC(=O)CCSCCCN(C)C 62a_100000737683_100000757444 [0,2,0,0,0,0|2,0,0]=4 16234 B12R0.184 CNC(=O)CCSCCOC(C)C 62a_100000211751_100000737683 [0,2,0,0,0,0|2,0,0]=4 16235 B12R0.184 CNC(=O)CCSCCOC(C)C 62a_100000737683_100000211751 [0,2,0,0,0,0|2,0,0]=4 16236 B12R0.184 CNC(=O)CCSCCSC(C)C 62a_100000730970_100000737683 [0,2,0,0,0,0|2,0,0]=4 16237 B12R0.184 CNC(=O)CCSCCSC(C)C 62a_100000737683_100000730970 [0,2,0,0,0,0|2,0,0]=4 16238 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [0,2,0,0,0,0|1,0,0]=3 16239 B12R0.184 CNC(=O)CNCCCOC(C)C 2230a_100000737246_100000183359 [0,2,0,0,0,0|2,0,0]=4 16240 B12R0.184 CNC(=O)CNCCCOC(C)C 34a_100000737246_100000183359 [0,2,0,0,0,0|2,0,0]=4 16241 B12R0.184 CNC(=O)COCCCCC(=O)C 34a_100000750040_100009817362 [0,2,0,0,0,0|1,0,1]=4 16242 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [0,2,0,0,0,0|1,0,0]=3 16243 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [0,2,0,0,0,0|1,0,0]=3 16244 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [0,2,0,0,0,0|1,0,0]=3 16245 B12R0.184 CNC(=O)COCCCNC(C)C 34a_100000182298_100000183359 [0,2,0,0,0,0|2,0,0]=4 16246 B12R0.184 CNC(=O)COCCNCC(C)C 34a_100015185251_100000183359 [0,2,0,0,0,0|2,0,0]=4 16247 B12R0.184 CNC(=O)COCCOCC(C)C 34a_100000703358_100000183359 [0,2,0,0,0,0|2,0,0]=4 16248 B12R0.184 CNC(=O)COCCOCC(C)C 7a_100000703358_100000183359 [0,2,0,0,0,0|2,0,0]=4 16249 B12R0.184 CNC(=O)COCCSCC(C)C 34a_200000230437_100000183359 [0,2,0,0,0,0|2,0,0]=4 16250 B12R0.184 CNC(=O)COCCSCC(C)C 7a_200000230437_100000183359 [0,2,0,0,0,0|2,0,0]=4 16251 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000183359_100000735457 [0,2,0,0,0,0|1,0,1]=4 16252 B12R0.184 CNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183359 [0,2,0,0,0,0|1,0,1]=4 16253 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,2,0,0,0,0|1,0,0]=3 16254 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,2,0,0,0,0|1,0,0]=3 16255 B12R0.184 CNC(=O)CSCCCCN(C)C 62a_100000183359_100000690147 [0,2,0,0,0,0|2,0,0]=4 16256 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [0,2,0,0,0,0|1,0,0]=3 16257 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [0,2,0,0,0,0|1,0,0]=3 16258 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [0,2,0,0,0,0|1,0,0]=3 16259 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [0,2,0,0,0,0|1,0,0]=3 16260 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [0,2,0,0,0,0|1,0,0]=3 16261 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [0,2,0,0,0,0|1,0,0]=3 16262 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100020635752_106832991635 [0,2,0,0,0,0|2,0,0]=4 16263 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100102657272_100020635752 [0,2,0,0,0,0|2,0,0]=4 16264 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100020635752_100102657272 [0,2,0,0,0,0|2,0,0]=4 16265 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100102657272_100020635752 [0,2,0,0,0,0|2,0,0]=4 16266 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_100020635752_100102657272 [0,2,0,0,0,0|2,0,0]=4 16267 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_106832991638_100020635752 [0,2,0,0,0,0|2,0,0]=4 16268 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100000205972_106832991635 [0,2,0,0,0,0|2,0,0]=4 16269 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100102657272_100000205972 [0,2,0,0,0,0|2,0,0]=4 16270 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100000205972_100102657272 [0,2,0,0,0,0|2,0,0]=4 16271 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100102657272_100000205972 [0,2,0,0,0,0|2,0,0]=4 16272 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_100000205972_100102657272 [0,2,0,0,0,0|2,0,0]=4 16273 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_106832991638_100000205972 [0,2,0,0,0,0|2,0,0]=4 16274 B12R0.184 CNC(=O)NCCNCCC(C)C 269862a_100015205895_100000185833 [0,2,0,0,0,0|2,0,0]=4 16275 B12R0.184 CNC(=O)NCCNCCC(C)C 34a_100015205895_100000210312 [0,2,0,0,0,0|2,0,0]=4 16276 B12R0.184 CNC(=O)NCCNCCC(C)O 34a_100015205895_100012276601 [0,2,0,0,0,0|2,0,0]=4 16277 B12R0.184 CNC(=O)OCCOCCC(C)Br 34a_100009893172_200011997002 [0,2,0,0,0,0|2,0,0]=4 16278 B12R0.184 CNC(=O)OCCOCCC(C)C 34a_100000210254_200011997002 [0,2,0,0,0,0|2,0,0]=4 16279 B12R0.184 CNC(=O)OCCOCCC(C)C 7a_100000210254_200011997002 [0,2,0,0,0,0|2,0,0]=4 16280 B12R0.184 CNC(=O)OCCOCC[C@@H](C)N 34a_100000706166_200011997002 [0,2,0,0,0,0|2,0,0]=4 16281 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_100000210312_200011997002 [0,2,0,0,0,0|2,0,0]=4 16282 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_200011997002_100000210312 [0,2,0,0,0,0|2,0,0]=4 16283 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_100012276601_200011997002 [0,2,0,0,0,0|2,0,0]=4 16284 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_200011997002_100012276601 [0,2,0,0,0,0|2,0,0]=4 16285 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,2,0,0,0,0|1,0,0]=3 16286 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,2,0,0,0,0|1,0,0]=3 16287 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,2,0,0,0,0|1,0,0]=3 16288 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [0,2,0,0,0,0|1,0,0]=3 16289 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [0,2,0,0,0,0|1,0,0]=3 16290 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,2,0,0,0,0|1,0,1]=4 16291 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [0,2,0,0,0,0|1,0,0]=3 16292 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [0,2,0,0,0,0|1,0,0]=3 16293 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [0,2,0,0,0,0|1,0,0]=3 16294 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [0,2,0,0,0,0|1,0,0]=3 16295 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [0,2,0,0,0,0|1,0,0]=3 16296 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [0,2,0,0,0,0|1,0,0]=3 16297 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [0,2,0,0,0,0|1,0,0]=3 16298 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [0,2,0,0,0,0|1,0,0]=3 16299 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [0,2,0,0,0,0|1,0,0]=3 16300 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,2,0,0,0,0|1,0,0]=3 16301 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,2,0,0,0,0|1,0,0]=3 16302 B12R0.184 COC(=O)CCCCNCC(F)F 34a_100000765723_100000204269 [0,2,0,0,0,0|2,0,0]=4 16303 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,2,0,0,0,0|1,0,1]=4 16304 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [0,2,0,0,0,0|1,0,0]=3 16305 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [0,2,0,0,0,0|1,0,0]=3 16306 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [0,2,0,0,0,0|1,0,0]=3 16307 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [0,2,0,0,0,0|1,0,0]=3 16308 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [0,2,0,0,0,0|1,0,0]=3 16309 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,2,0,0,0,0|1,0,0]=3 16310 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,2,0,0,0,0|1,0,0]=3 16311 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000059025_100011934356 [0,2,0,0,0,0|2,0,0]=4 16312 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000743014_100000204269 [0,2,0,0,0,0|2,0,0]=4 16313 B12R0.184 COC(=O)CCCCOCC(F)F 7a_100000059025_100011934356 [0,2,0,0,0,0|2,0,0]=4 16314 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [0,2,0,0,0,0|1,0,0]=3 16315 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [0,2,0,0,0,0|1,0,0]=3 16316 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,2,0,0,0,0|1,0,0]=3 16317 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,2,0,0,0,0|1,0,0]=3 16318 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [0,2,0,0,0,0|1,0,0]=3 16319 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [0,2,0,0,0,0|1,0,0]=3 16320 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,2,0,0,0,0|1,0,0]=3 16321 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,2,0,0,0,0|1,0,0]=3 16322 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100000204269_100011934356 [0,2,0,0,0,0|2,0,0]=4 16323 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100011934356_100000204269 [0,2,0,0,0,0|2,0,0]=4 16324 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,2,0,0,0,0|1,0,0]=3 16325 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,2,0,0,0,0|1,0,0]=3 16326 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,2,0,0,0,0|1,0,0]=3 16327 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [0,2,0,0,0,0|1,0,1]=4 16328 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [0,2,0,0,0,0|1,0,1]=4 16329 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,2,0,0,0,0|1,0,0]=3 16330 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,2,0,0,0,0|1,0,0]=3 16331 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,2,0,0,0,0|1,0,0]=3 16332 B12R0.184 COC(=O)CCCOCCC(F)F 34a_100103093639_100000742333 [0,2,0,0,0,0|2,0,0]=4 16333 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,2,0,0,0,0|1,0,0]=3 16334 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [0,2,0,0,0,0|1,0,1]=4 16335 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [0,2,0,0,0,0|1,0,1]=4 16336 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [0,2,0,0,0,0|1,0,0]=3 16337 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [0,2,0,0,0,0|1,0,0]=3 16338 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,2,0,0,0,0|1,0,0]=3 16339 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,2,0,0,0,0|1,0,0]=3 16340 B12R0.184 COC(=O)CCCSCCN(C)C 62a_100011218270_100000755713 [0,2,0,0,0,0|2,0,0]=4 16341 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100000709892_100011218270 [0,2,0,0,0,0|2,0,0]=4 16342 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100011218270_100000709892 [0,2,0,0,0,0|2,0,0]=4 16343 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [0,2,0,0,0,0|1,0,0]=3 16344 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [0,2,0,0,0,0|1,0,0]=3 16345 B12R0.184 COC(=O)CCNCCCS(=O)C 2230a_200000753449_100000204255 [0,2,0,0,0,0|2,0,0]=4 16346 B12R0.184 COC(=O)CCNCCOC(C)C 2230a_100000701111_100000204255 [0,2,0,0,0,0|2,0,0]=4 16347 B12R0.184 COC(=O)CCNCCOC(C)C 34a_100000701111_100000742370 [0,2,0,0,0,0|2,0,0]=4 16348 B12R0.184 COC(=O)CCNCCSC(C)C 2230a_100000731138_100000204255 [0,2,0,0,0,0|2,0,0]=4 16349 B12R0.184 COC(=O)CCNCCSC(C)C 34a_100000731138_100000742370 [0,2,0,0,0,0|2,0,0]=4 16350 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [0,2,0,0,0,0|1,0,1]=4 16351 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [0,2,0,0,0,0|1,0,1]=4 16352 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,2,0,0,0,0|1,0,0]=3 16353 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,2,0,0,0,0|1,0,0]=3 16354 B12R0.184 COC(=O)CCOCCNC(C)C 34a_100000224655_100000742370 [0,2,0,0,0,0|2,0,0]=4 16355 B12R0.184 COC(=O)CCOCCOC(C)C 34a_100000211219_100000742370 [0,2,0,0,0,0|2,0,0]=4 16356 B12R0.184 COC(=O)CCOCCOC(C)C 7a_100000211219_100000204255 [0,2,0,0,0,0|2,0,0]=4 16357 B12R0.184 COC(=O)CCOCCSC(C)C 34a_200011212901_100000742370 [0,2,0,0,0,0|2,0,0]=4 16358 B12R0.184 COC(=O)CCOCCSC(C)C 7a_200011212901_100000204255 [0,2,0,0,0,0|2,0,0]=4 16359 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [0,2,0,0,0,0|1,0,1]=4 16360 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [0,2,0,0,0,0|1,0,1]=4 16361 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [0,2,0,0,0,0|1,0,0]=3 16362 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [0,2,0,0,0,0|1,0,0]=3 16363 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,2,0,0,0,0|1,0,0]=3 16364 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,2,0,0,0,0|1,0,0]=3 16365 B12R0.184 COC(=O)CCSCCCN(C)C 62a_100000204255_100000757444 [0,2,0,0,0,0|2,0,0]=4 16366 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000204255_100000211751 [0,2,0,0,0,0|2,0,0]=4 16367 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000211751_100000204255 [0,2,0,0,0,0|2,0,0]=4 16368 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000204255_100000730970 [0,2,0,0,0,0|2,0,0]=4 16369 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000730970_100000204255 [0,2,0,0,0,0|2,0,0]=4 16370 B12R0.184 COC(=O)CNCCCOC(C)C 2230a_100000737246_100000747449 [0,2,0,0,0,0|2,0,0]=4 16371 B12R0.184 COC(=O)CNCCCOC(C)C 34a_100000737246_100000747449 [0,2,0,0,0,0|2,0,0]=4 16372 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,2,0,0,0,0|1,0,0]=3 16373 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,2,0,0,0,0|1,0,0]=3 16374 B12R0.184 COC(=O)COCCCNC(C)C 34a_100000182298_100000747449 [0,2,0,0,0,0|2,0,0]=4 16375 B12R0.184 COC(=O)COCCNCC(C)C 2230a_100000210953_100000090808 [0,2,0,0,0,0|2,0,0]=4 16376 B12R0.184 COC(=O)COCCNCC(C)C 34a_100000210953_100000090808 [0,2,0,0,0,0|2,0,0]=4 16377 B12R0.184 COC(=O)COCCNCC(C)C 34a_100015185251_100000747449 [0,2,0,0,0,0|2,0,0]=4 16378 B12R0.184 COC(=O)COCCNCC(C)O 2230a_100000210904_100000090808 [0,2,0,0,0,0|2,0,0]=4 16379 B12R0.184 COC(=O)COCCNCC(C)O 34a_100000210904_100000090808 [0,2,0,0,0,0|2,0,0]=4 16380 B12R0.184 COC(=O)COCCOCC(C)Br 34a_100012180447_100000090808 [0,2,0,0,0,0|2,0,0]=4 16381 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000210257_100000090808 [0,2,0,0,0,0|2,0,0]=4 16382 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000703358_100000747449 [0,2,0,0,0,0|2,0,0]=4 16383 B12R0.184 COC(=O)COCCOCC(C)C 7a_100000703358_100000747449 [0,2,0,0,0,0|2,0,0]=4 16384 B12R0.184 COC(=O)COCCOCC(C)F 34a_100015925927_100000090808 [0,2,0,0,0,0|2,0,0]=4 16385 B12R0.184 COC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000090808 [0,2,0,0,0,0|2,0,0]=4 16386 B12R0.184 COC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000090808 [0,2,0,0,0,0|2,0,0]=4 16387 B12R0.184 COC(=O)COCCSCC(C)C 34a_200000230437_100000747449 [0,2,0,0,0,0|2,0,0]=4 16388 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000090808_100000210760 [0,2,0,0,0,0|2,0,0]=4 16389 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000210624_100000090808 [0,2,0,0,0,0|2,0,0]=4 16390 B12R0.184 COC(=O)COCCSCC(C)C 7a_200000230437_100000747449 [0,2,0,0,0,0|2,0,0]=4 16391 B12R0.184 COC(=O)COCCSCC(C)O 62a_100000090808_100011218427 [0,2,0,0,0,0|2,0,0]=4 16392 B12R0.184 COC(=O)COCCSCC(C)O 62a_100011218427_100000090808 [0,2,0,0,0,0|2,0,0]=4 16393 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100000090808_100009817552 [0,2,0,0,0,0|2,0,0]=4 16394 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000090808 [0,2,0,0,0,0|2,0,0]=4 16395 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,2,0,0,0,0|1,0,1]=4 16396 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,2,0,0,0,0|1,0,1]=4 16397 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,2,0,0,0,0|1,0,0]=3 16398 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,2,0,0,0,0|1,0,0]=3 16399 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [0,2,0,0,0,0|2,0,0]=4 16400 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [0,2,0,0,0,0|2,0,0]=4 16401 B12R0.184 COC(=O)NCCOCCC(C)O 34a_100000757965_100012276601 [0,2,0,0,0,0|2,0,0]=4 16402 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [0,2,0,0,0,0|2,0,0]=4 16403 B12R0.184 COC(=O)OCCOCCC(C)O 34a_100010262106_100012276601 [0,2,0,0,0,0|2,0,0]=4 16404 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [0,2,0,0,0,0|2,0,0]=4 16405 B12R0.184 COC(=O)OCSCCCC(C)O 62a_200000718107_100000139417 [0,2,0,0,0,0|2,0,0]=4 16406 B12R0.184 O=C(CO)CCCCCCB(O)O 1458a_100000210174_100009817187 [0,2,0,0,0,0|2,0,0]=4 16407 B12R0.248 C#CC(=O)CCCC#CCCCC 1458a_100000211873_200000047210 [0,2,0,0,0,0|0,0,2]=4 16408 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,2,0,0,0,0|0,0,2]=4 16409 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,2,0,0,0,0|0,0,2]=4 16410 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,2,0,0,0,0|0,0,2]=4 16411 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,2,0,0,0,0|0,0,2]=4 16412 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,2,0,0,0,0|0,0,2]=4 16413 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,2,0,0,0,0|0,0,0]=2 16414 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,2,0,0,0,0|0,0,0]=2 16415 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,2,0,0,0,0|1,0,0]=3 16416 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,2,0,0,0,0|1,0,0]=3 16417 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,2,0,0,0,0|1,0,0]=3 16418 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 16419 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 16420 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,2,0,0,0,0|1,0,0]=3 16421 B12R0.248 C#CCCCCCCCN(C)CC 2230a_100000225621_100153394163 [0,2,0,0,0,0|2,0,0]=4 16422 B12R0.248 C#CCCCCCCCN(C)CC 269982a_100000225621_100153394163 [0,2,0,0,0,0|2,0,0]=4 16423 B12R0.248 C#CCCCCCNCC(=O)NC 2230a_100000693194_100012094781 [0,2,0,0,0,0|1,0,1]=4 16424 B12R0.248 C#CCCCCCOCC(=O)CC 34a_100000725409_100012094781 [0,2,0,0,0,0|0,0,1]=3 16425 B12R0.248 C#CCCCCCOCC(=O)CC 7a_100000766912_100000747405 [0,2,0,0,0,0|0,0,1]=3 16426 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000750040_100012094781 [0,2,0,0,0,0|1,0,1]=4 16427 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000766912_100000183359 [0,2,0,0,0,0|1,0,1]=4 16428 B12R0.248 C#CCCCCCOCC(=O)NC 7a_100000766912_100000183359 [0,2,0,0,0,0|1,0,1]=4 16429 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,2,0,0,0,0|1,0,1]=4 16430 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,2,0,0,0,0|1,0,1]=4 16431 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100000747405_100012094781 [0,2,0,0,0,0|0,0,1]=3 16432 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100012094781_100000747405 [0,2,0,0,0,0|0,0,1]=3 16433 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100000183359_100012094781 [0,2,0,0,0,0|1,0,1]=4 16434 B12R0.248 C#CCCCCCSCC(=O)NC 62a_100012094781_100000183359 [0,2,0,0,0,0|1,0,1]=4 16435 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,2,0,0,0,0|1,0,1]=4 16436 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,2,0,0,0,0|1,0,1]=4 16437 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000706060_100000737683 [0,2,0,0,0,0|1,0,1]=4 16438 B12R0.248 C#CCCCCNCCC(=O)NC 2230a_100000738227_100010269958 [0,2,0,0,0,0|1,0,1]=4 16439 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000706060_100012179268 [0,2,0,0,0,0|1,0,1]=4 16440 B12R0.248 C#CCCCCNCCC(=O)NC 34a_100000738227_100010269958 [0,2,0,0,0,0|1,0,1]=4 16441 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [0,2,0,0,0,0|1,0,1]=4 16442 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [0,2,0,0,0,0|1,0,1]=4 16443 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000754576_100010269958 [0,2,0,0,0,0|1,0,1]=4 16444 B12R0.248 C#CCCCCOCCC(=O)NC 34a_100000766709_100012179268 [0,2,0,0,0,0|1,0,1]=4 16445 B12R0.248 C#CCCCCOCCC(=O)NC 7a_100000766709_100000737683 [0,2,0,0,0,0|1,0,1]=4 16446 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [0,2,0,0,0,0|1,0,1]=4 16447 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [0,2,0,0,0,0|1,0,1]=4 16448 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100000737683_100010269958 [0,2,0,0,0,0|1,0,1]=4 16449 B12R0.248 C#CCCCCSCCC(=O)NC 62a_100010269958_100000737683 [0,2,0,0,0,0|1,0,1]=4 16450 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [0,2,0,0,0,0|1,0,1]=4 16451 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [0,2,0,0,0,0|1,0,1]=4 16452 B12R0.248 C#CCCCNCCCC(=O)NC 2230a_100000740002_100000731252 [0,2,0,0,0,0|1,0,1]=4 16453 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000718082_100000741757 [0,2,0,0,0,0|1,0,1]=4 16454 B12R0.248 C#CCCCNCCCC(=O)NC 34a_100000740002_100000695029 [0,2,0,0,0,0|1,0,1]=4 16455 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [0,2,0,0,0,0|1,0,1]=4 16456 B12R0.248 C#CCCCNCCNC(=O)CC 34a_100132302217_100000695029 [0,2,0,0,0,0|0,0,2]=4 16457 B12R0.248 C#CCCCOCCCC(=O)NC 34a_100000215630_100000741757 [0,2,0,0,0,0|1,0,1]=4 16458 B12R0.248 C#CCCCOCCCC(=O)NC 7a_100000215630_100000741757 [0,2,0,0,0,0|1,0,1]=4 16459 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [0,2,0,0,0,0|1,0,1]=4 16460 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [0,2,0,0,0,0|1,0,1]=4 16461 B12R0.248 C#CCCCOCCNC(=O)CC 34a_200000158885_100000695029 [0,2,0,0,0,0|0,0,2]=4 16462 B12R0.248 C#CCCCOCCNC(=O)CC 7a_200000158885_100011215417 [0,2,0,0,0,0|0,0,2]=4 16463 B12R0.248 C#CCCCOCCOC(=O)CC 7a_200000031056_100011215417 [0,2,0,0,0,0|0,0,2]=4 16464 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100000741757_100011215417 [0,2,0,0,0,0|1,0,1]=4 16465 B12R0.248 C#CCCCSCCCC(=O)NC 62a_100011215417_100000741757 [0,2,0,0,0,0|1,0,1]=4 16466 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [0,2,0,0,0,0|1,0,1]=4 16467 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [0,2,0,0,0,0|1,0,1]=4 16468 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [0,2,0,0,0,0|1,0,1]=4 16469 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [0,2,0,0,0,0|1,0,1]=4 16470 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [0,2,0,0,0,0|1,0,1]=4 16471 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [0,2,0,0,0,0|1,0,1]=4 16472 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [0,2,0,0,0,0|1,0,1]=4 16473 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [0,2,0,0,0,0|1,0,1]=4 16474 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [0,2,0,0,0,0|1,0,1]=4 16475 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [0,2,0,0,0,0|1,0,1]=4 16476 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [0,2,0,0,0,0|1,0,1]=4 16477 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [0,2,0,0,0,0|1,0,1]=4 16478 B12R0.248 C#CCOCCOCCC(=O)CC 1458a_100000210414_100010408581 [0,2,0,0,0,0|0,0,2]=4 16479 B12R0.248 C#CCOCCOCCC(=O)CC 1458a_100019993476_100000210202 [0,2,0,0,0,0|0,0,2]=4 16480 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [0,2,0,0,0,0|1,0,1]=4 16481 B12R0.248 C/C=C/CCOCCCC(=O)NC 34a_100016278192_100000741757 [0,2,0,0,0,0|1,0,1]=4 16482 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [0,2,0,0,0,0|1,0,1]=4 16483 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [0,2,0,0,0,0|1,0,1]=4 16484 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [0,2,0,0,0,0|1,0,1]=4 16485 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [0,2,0,0,0,0|1,0,1]=4 16486 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [0,2,0,0,0,0|1,0,1]=4 16487 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [0,2,0,0,0,0|1,0,1]=4 16488 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,2,0,0,0,0|0,0,2]=4 16489 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,2,0,0,0,0|0,0,2]=4 16490 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,2,0,0,0,0|0,0,2]=4 16491 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,2,0,0,0,0|0,0,2]=4 16492 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,2,0,0,0,0|0,0,2]=4 16493 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,2,0,0,0,0|0,0,2]=4 16494 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,2,0,0,0,0|0,0,2]=4 16495 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,2,0,0,0,0|0,0,2]=4 16496 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,2,0,0,0,0|0,0,2]=4 16497 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,2,0,0,0,0|0,0,2]=4 16498 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,2,0,0,0,0|0,0,2]=4 16499 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,2,0,0,0,0|0,0,2]=4 16500 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,2,0,0,0,0|0,0,2]=4 16501 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,2,0,0,0,0|0,0,2]=4 16502 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,2,0,0,0,0|0,0,2]=4 16503 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,2,0,0,0,0|0,0,2]=4 16504 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,2,0,0,0,0|0,0,2]=4 16505 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,2,0,0,0,0|0,0,2]=4 16506 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,2,0,0,0,0|0,0,2]=4 16507 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,2,0,0,0,0|0,0,2]=4 16508 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,2,0,0,0,0|0,0,2]=4 16509 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,2,0,0,0,0|0,0,2]=4 16510 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,2,0,0,0,0|0,0,2]=4 16511 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,2,0,0,0,0|0,0,2]=4 16512 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,2,0,0,0,0|0,0,2]=4 16513 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,2,0,0,0,0|0,0,2]=4 16514 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,2,0,0,0,0|0,0,0]=2 16515 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,2,0,0,0,0|0,0,0]=2 16516 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,2,0,0,0,0|1,0,0]=3 16517 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,2,0,0,0,0|1,0,0]=3 16518 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,2,0,0,0,0|1,0,0]=3 16519 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 16520 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 16521 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,2,0,0,0,0|1,0,0]=3 16522 B12R0.248 C=CCCCCCCCN(C)CC 2230a_100000225621_100012355270 [0,2,0,0,0,0|2,0,0]=4 16523 B12R0.248 C=CCCCCCCCN(C)CC 269982a_100000225621_100012355270 [0,2,0,0,0,0|2,0,0]=4 16524 B12R0.248 C=CCCCCCNCC(=O)NC 2230a_100000693194_100000700193 [0,2,0,0,0,0|1,0,1]=4 16525 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,2,0,0,0,0|0,0,1]=3 16526 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,2,0,0,0,0|0,0,1]=3 16527 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100000750040_100000700193 [0,2,0,0,0,0|1,0,1]=4 16528 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100011216702_100000183359 [0,2,0,0,0,0|1,0,1]=4 16529 B12R0.248 C=CCCCCCOCC(=O)NC 7a_100011216702_100000183359 [0,2,0,0,0,0|1,0,1]=4 16530 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,2,0,0,0,0|1,0,1]=4 16531 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,2,0,0,0,0|1,0,1]=4 16532 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [0,2,0,0,0,0|0,0,1]=3 16533 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [0,2,0,0,0,0|0,0,1]=3 16534 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000183359_100000700193 [0,2,0,0,0,0|1,0,1]=4 16535 B12R0.248 C=CCCCCCSCC(=O)NC 62a_100000700193_100000183359 [0,2,0,0,0,0|1,0,1]=4 16536 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,2,0,0,0,0|1,0,1]=4 16537 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,2,0,0,0,0|1,0,1]=4 16538 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000703577_100000737683 [0,2,0,0,0,0|1,0,1]=4 16539 B12R0.248 C=CCCCCNCCC(=O)NC 2230a_100000738227_100011215482 [0,2,0,0,0,0|1,0,1]=4 16540 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000703577_100012179268 [0,2,0,0,0,0|1,0,1]=4 16541 B12R0.248 C=CCCCCNCCC(=O)NC 34a_100000738227_100011215482 [0,2,0,0,0,0|1,0,1]=4 16542 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [0,2,0,0,0,0|1,0,1]=4 16543 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [0,2,0,0,0,0|1,0,1]=4 16544 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000754576_100011215482 [0,2,0,0,0,0|1,0,1]=4 16545 B12R0.248 C=CCCCCOCCC(=O)NC 34a_100000766645_100012179268 [0,2,0,0,0,0|1,0,1]=4 16546 B12R0.248 C=CCCCCOCCC(=O)NC 7a_100000766645_100000737683 [0,2,0,0,0,0|1,0,1]=4 16547 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [0,2,0,0,0,0|1,0,1]=4 16548 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [0,2,0,0,0,0|1,0,1]=4 16549 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100000737683_100011215482 [0,2,0,0,0,0|1,0,1]=4 16550 B12R0.248 C=CCCCCSCCC(=O)NC 62a_100011215482_100000737683 [0,2,0,0,0,0|1,0,1]=4 16551 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [0,2,0,0,0,0|1,0,1]=4 16552 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [0,2,0,0,0,0|1,0,1]=4 16553 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000700776_100000741757 [0,2,0,0,0,0|1,0,1]=4 16554 B12R0.248 C=CCCCNCCCC(=O)NC 2230a_100000740002_100011713584 [0,2,0,0,0,0|1,0,1]=4 16555 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000700776_100000741757 [0,2,0,0,0,0|1,0,1]=4 16556 B12R0.248 C=CCCCNCCCC(=O)NC 34a_100000740002_100000757094 [0,2,0,0,0,0|1,0,1]=4 16557 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [0,2,0,0,0,0|1,0,1]=4 16558 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [0,2,0,0,0,0|1,0,1]=4 16559 B12R0.248 C=CCCCNCCNC(=O)CC 34a_100132302217_100000757094 [0,2,0,0,0,0|0,0,2]=4 16560 B12R0.248 C=CCCCOCCCC(=O)NC 34a_100000758997_100000741757 [0,2,0,0,0,0|1,0,1]=4 16561 B12R0.248 C=CCCCOCCCC(=O)NC 7a_100000758997_100000741757 [0,2,0,0,0,0|1,0,1]=4 16562 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [0,2,0,0,0,0|1,0,1]=4 16563 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [0,2,0,0,0,0|1,0,1]=4 16564 B12R0.248 C=CCCCOCCNC(=O)CC 34a_200000158885_100000757094 [0,2,0,0,0,0|0,0,2]=4 16565 B12R0.248 C=CCCCOCCNC(=O)CC 7a_200000158885_100000757094 [0,2,0,0,0,0|0,0,2]=4 16566 B12R0.248 C=CCCCOCCOC(=O)CC 7a_200000031056_100000757094 [0,2,0,0,0,0|0,0,2]=4 16567 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100000741757_100000757094 [0,2,0,0,0,0|1,0,1]=4 16568 B12R0.248 C=CCCCSCCCC(=O)NC 62a_100011713584_100000741757 [0,2,0,0,0,0|1,0,1]=4 16569 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [0,2,0,0,0,0|1,0,1]=4 16570 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [0,2,0,0,0,0|1,0,1]=4 16571 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [0,2,0,0,0,0|1,0,1]=4 16572 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [0,2,0,0,0,0|1,0,1]=4 16573 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [0,2,0,0,0,0|1,0,1]=4 16574 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [0,2,0,0,0,0|1,0,1]=4 16575 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [0,2,0,0,0,0|1,0,1]=4 16576 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [0,2,0,0,0,0|1,0,1]=4 16577 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [0,2,0,0,0,0|1,0,1]=4 16578 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [0,2,0,0,0,0|1,0,1]=4 16579 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [0,2,0,0,0,0|1,0,1]=4 16580 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [0,2,0,0,0,0|1,0,1]=4 16581 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [0,2,0,0,0,0|1,0,1]=4 16582 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [0,2,0,0,0,0|1,0,1]=4 16583 B12R0.248 C=COCCCCOCC(=O)CC 7a_100000031558_100000747405 [0,2,0,0,0,0|0,0,2]=4 16584 B12R0.248 CC#CCCOCCCC(=O)NC 34a_100000750427_100000741757 [0,2,0,0,0,0|1,0,1]=4 16585 B12R0.248 CC#CCCOCCCC(=O)OC 34a_100000750427_100000742333 [0,2,0,0,0,0|1,0,1]=4 16586 B12R0.248 CC#CCNCCCCC(=O)OC 2230a_100000685387_100000204269 [0,2,0,0,0,0|1,0,1]=4 16587 B12R0.248 CC#CCNCCCCC(=O)OC 34a_100000685387_100000204269 [0,2,0,0,0,0|1,0,1]=4 16588 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000059025_100000748600 [0,2,0,0,0,0|1,0,1]=4 16589 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000761923_100000204269 [0,2,0,0,0,0|1,0,1]=4 16590 B12R0.248 CC#CCOCCCCC(=O)OC 7a_100000059025_100000748600 [0,2,0,0,0,0|1,0,1]=4 16591 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000204269_100000748600 [0,2,0,0,0,0|1,0,1]=4 16592 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000748600_100000204269 [0,2,0,0,0,0|1,0,1]=4 16593 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [0,2,0,0,0,0|0,0,1]=3 16594 B12R0.248 CC/C=C/CCCOCC(=O)NC 34a_100016287902_100000183359 [0,2,0,0,0,0|1,0,1]=4 16595 B12R0.248 CC/C=C/CCCOCC(=O)NC 7a_100016287902_100000183359 [0,2,0,0,0,0|1,0,1]=4 16596 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,2,0,0,0,0|1,0,1]=4 16597 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,2,0,0,0,0|1,0,1]=4 16598 B12R0.248 CC/C=C\CCNCCC(=O)NC 2230a_100000738227_100015370543 [0,2,0,0,0,0|1,0,1]=4 16599 B12R0.248 CC/C=C\CCNCCC(=O)NC 34a_100000738227_100015370543 [0,2,0,0,0,0|1,0,1]=4 16600 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100000754576_100015370543 [0,2,0,0,0,0|1,0,1]=4 16601 B12R0.248 CC/C=C\CCOCCC(=O)NC 34a_100016288707_100012179268 [0,2,0,0,0,0|1,0,1]=4 16602 B12R0.248 CC/C=C\CCOCCC(=O)NC 7a_100016288707_100000737683 [0,2,0,0,0,0|1,0,1]=4 16603 B12R0.248 CC/C=C\CCOCCC(=O)OC 34a_100016288707_100000742370 [0,2,0,0,0,0|1,0,1]=4 16604 B12R0.248 CC/C=C\CCOCCC(=O)OC 7a_100016288707_100000204255 [0,2,0,0,0,0|1,0,1]=4 16605 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100000737683_100015370543 [0,2,0,0,0,0|1,0,1]=4 16606 B12R0.248 CC/C=C\CCSCCC(=O)NC 62a_100015370543_100000737683 [0,2,0,0,0,0|1,0,1]=4 16607 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [0,2,0,0,0,0|1,0,1]=4 16608 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [0,2,0,0,0,0|1,0,1]=4 16609 B12R0.248 CC/C=C\CNCCCC(=O)NC 2230a_100000740002_100103147603 [0,2,0,0,0,0|1,0,1]=4 16610 B12R0.248 CC/C=C\CNCCCC(=O)NC 34a_100000740002_100103147603 [0,2,0,0,0,0|1,0,1]=4 16611 B12R0.248 CC/C=C\CNCCNC(=O)CC 34a_100132302217_100103147603 [0,2,0,0,0,0|0,0,2]=4 16612 B12R0.248 CC/C=C\COCCCC(=O)NC 34a_100016268518_100000741757 [0,2,0,0,0,0|1,0,1]=4 16613 B12R0.248 CC/C=C\COCCCC(=O)OC 34a_100016268518_100000742333 [0,2,0,0,0,0|1,0,1]=4 16614 B12R0.248 CC/C=C\COCCNC(=O)CC 34a_200000158885_100103147603 [0,2,0,0,0,0|0,0,2]=4 16615 B12R0.248 CC/C=C\COCCNC(=O)CC 7a_200000158885_100103147603 [0,2,0,0,0,0|0,0,2]=4 16616 B12R0.248 CC/C=C\COCCOC(=O)CC 7a_200000031056_100103147603 [0,2,0,0,0,0|0,0,2]=4 16617 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100000741757_100103147603 [0,2,0,0,0,0|1,0,1]=4 16618 B12R0.248 CC/C=C\CSCCCC(=O)NC 62a_100103147603_100000741757 [0,2,0,0,0,0|1,0,1]=4 16619 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100011218270_100103147603 [0,2,0,0,0,0|1,0,1]=4 16620 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100103147603_100011218270 [0,2,0,0,0,0|1,0,1]=4 16621 B12R0.248 CC=CCCCOCCC(=O)NC 34a_100020645299_100012179268 [0,2,0,0,0,0|1,0,1]=4 16622 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [0,2,0,0,0,0|1,0,1]=4 16623 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [0,2,0,0,0,0|1,0,1]=4 16624 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [0,2,0,0,0,0|1,0,1]=4 16625 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [0,2,0,0,0,0|1,0,1]=4 16626 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [0,2,0,0,0,0|1,0,1]=4 16627 B12R0.248 CCC#CCCOCCC(=O)NC 34a_100000036655_100012179268 [0,2,0,0,0,0|1,0,1]=4 16628 B12R0.248 CCC#CCCOCCC(=O)NC 7a_100000036655_100000737683 [0,2,0,0,0,0|1,0,1]=4 16629 B12R0.248 CCC#CCCOCCC(=O)OC 34a_100000036655_100000742370 [0,2,0,0,0,0|1,0,1]=4 16630 B12R0.248 CCC#CCCOCCC(=O)OC 7a_100000036655_100000204255 [0,2,0,0,0,0|1,0,1]=4 16631 B12R0.248 CCC#CCNCCCC(=O)NC 2230a_100000740002_100009813939 [0,2,0,0,0,0|1,0,1]=4 16632 B12R0.248 CCC#CCNCCCC(=O)NC 34a_100000740002_100009813939 [0,2,0,0,0,0|1,0,1]=4 16633 B12R0.248 CCC#CCNCCNC(=O)CC 34a_100132302217_100009813939 [0,2,0,0,0,0|0,0,2]=4 16634 B12R0.248 CCC#CCOCCCC(=O)NC 34a_100000032950_100000741757 [0,2,0,0,0,0|1,0,1]=4 16635 B12R0.248 CCC#CCOCCCC(=O)OC 34a_100000032950_100000742333 [0,2,0,0,0,0|1,0,1]=4 16636 B12R0.248 CCC#CCOCCNC(=O)CC 34a_200000158885_100009813939 [0,2,0,0,0,0|0,0,2]=4 16637 B12R0.248 CCC#CCOCCNC(=O)CC 7a_200000158885_100009813939 [0,2,0,0,0,0|0,0,2]=4 16638 B12R0.248 CCC#CCOCCOC(=O)CC 7a_200000031056_100009813939 [0,2,0,0,0,0|0,0,2]=4 16639 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100000741757_100009813939 [0,2,0,0,0,0|1,0,1]=4 16640 B12R0.248 CCC#CCSCCCC(=O)NC 62a_100009813939_100000741757 [0,2,0,0,0,0|1,0,1]=4 16641 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100009813939_100011218270 [0,2,0,0,0,0|1,0,1]=4 16642 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100011218270_100009813939 [0,2,0,0,0,0|1,0,1]=4 16643 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|0,0,0]=2 16644 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100000210414_100000032323 [0,2,0,0,0,0|1,0,0]=3 16645 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100009915118_100000210202 [0,2,0,0,0,0|1,0,0]=3 16646 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|0,0,0]=2 16647 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|0,0,0]=2 16648 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|0,0,0]=2 16649 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|0,0,0]=2 16650 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|0,0,0]=2 16651 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [0,2,0,0,0,0|1,0,0]=3 16652 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [0,2,0,0,0,0|1,0,0]=3 16653 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [0,2,0,0,0,0|1,0,0]=3 16654 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100000747405_100009813376 [0,2,0,0,0,0|0,0,1]=3 16655 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100009813376_100000747405 [0,2,0,0,0,0|0,0,1]=3 16656 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [0,2,0,0,0,0|0,0,1]=3 16657 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [0,2,0,0,0,0|0,0,1]=3 16658 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|0,0,0]=2 16659 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|0,0,0]=2 16660 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|0,0,0]=2 16661 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|0,0,0]=2 16662 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000695917_100000747405 [0,2,0,0,0,0|1,0,0]=3 16663 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000747405_100000695917 [0,2,0,0,0,0|1,0,0]=3 16664 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|0,0,0]=2 16665 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,2,0,0,0,0|1,0,0]=3 16666 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [0,2,0,0,0,0|1,0,0]=3 16667 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [0,2,0,0,0,0|1,0,0]=3 16668 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [0,2,0,0,0,0|1,0,0]=3 16669 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,2,0,0,0,0|1,0,0]=3 16670 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [0,2,0,0,0,0|1,0,0]=3 16671 B12R0.248 CCC(=O)NCCOCCCC#N 7a_200000158885_100000687738 [0,2,0,0,0,0|1,0,1]=4 16672 B12R0.248 CCC(=O)NCCOCCCC=O 7a_200000158885_200011292268 [0,2,0,0,0,0|1,0,1]=4 16673 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [0,2,0,0,0,0|1,0,0]=3 16674 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [0,2,0,0,0,0|1,0,0]=3 16675 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,2,0,0,0,0|1,0,0]=3 16676 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,2,0,0,0,0|1,0,0]=3 16677 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [0,2,0,0,0,0|1,0,0]=3 16678 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [0,2,0,0,0,0|1,0,0]=3 16679 B12R0.248 CCC(=O)OCCOCCCC#N 7a_200000031056_100000687738 [0,2,0,0,0,0|1,0,1]=4 16680 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [0,2,0,0,0,0|1,0,1]=4 16681 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,2,0,0,0,0|1,0,0]=3 16682 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,2,0,0,0,0|1,0,0]=3 16683 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,2,0,0,0,0|1,0,0]=3 16684 B12R0.248 CCC(C)CCCCCOCCF 7a_200000035636_100011217306 [0,2,0,0,0,0|1,0,1]=4 16685 B12R0.248 CCC(C)CCCCCOCCO 7a_200000035636_100000211926 [0,2,0,0,0,0|1,0,1]=4 16686 B12R0.248 CCC(C)CCCOCCCCF 7a_100011216074_100000729493 [0,2,0,0,0,0|1,0,1]=4 16687 B12R0.248 CCC(C)CCCOCCCCO 7a_100011216074_100000210776 [0,2,0,0,0,0|1,0,1]=4 16688 B12R0.248 CCC(C)CCCOCCCOC 7a_100011216074_100000740836 [0,2,0,0,0,0|1,0,1]=4 16689 B12R0.248 CCC(C)CCNCCCCCF 2230a_100020591266_100000729378 [0,2,0,0,0,0|1,0,1]=4 16690 B12R0.248 CCC(C)CCNCCCCCO 2230a_100020591266_100000746330 [0,2,0,0,0,0|1,0,1]=4 16691 B12R0.248 CCC(C)CCNCCCCOC 2230a_100020591266_100000730899 [0,2,0,0,0,0|1,0,1]=4 16692 B12R0.248 CCC(C)CCOCCCCCF 7a_100011215188_100000729378 [0,2,0,0,0,0|1,0,1]=4 16693 B12R0.248 CCC(C)CCOCCCCCO 7a_100011215188_100000746330 [0,2,0,0,0,0|1,0,1]=4 16694 B12R0.248 CCC(C)CCOCCCCOC 7a_100011215188_100000730899 [0,2,0,0,0,0|1,0,1]=4 16695 B12R0.248 CCC(C)CNCCCCCCF 2230a_100020588543_100015922095 [0,2,0,0,0,0|1,0,1]=4 16696 B12R0.248 CCC(C)CNCCCCCCO 2230a_100000686447_100000748023 [0,2,0,0,0,0|1,0,1]=4 16697 B12R0.248 CCC(C)CNCCCCCCO 2230a_100020588543_100000766143 [0,2,0,0,0,0|1,0,1]=4 16698 B12R0.248 CCC(C)CNCCCCCCO 270004a_100000686447_100000243153 [0,2,0,0,0,0|1,0,1]=4 16699 B12R0.248 CCC(C)CNCCCCCCO 34a_100000686447_100000748023 [0,2,0,0,0,0|1,0,1]=4 16700 B12R0.248 CCC(C)CNCCCCCOC 2230a_100000747528_100000748023 [0,2,0,0,0,0|1,0,1]=4 16701 B12R0.248 CCC(C)CNCCCCCOC 270004a_100000747528_100000243153 [0,2,0,0,0,0|1,0,1]=4 16702 B12R0.248 CCC(C)CNCCCCCOC 34a_100000747528_100000748023 [0,2,0,0,0,0|1,0,1]=4 16703 B12R0.248 CCC(C)COCCCCCCBr 34a_100011215345_100000748023 [0,2,0,0,0,0|1,0,1]=4 16704 B12R0.248 CCC(C)COCCCCCCBr 7a_100011215345_100000748023 [0,2,0,0,0,0|1,0,1]=4 16705 B12R0.248 CCC(C)COCCCCCCCl 34a_100000766143_100000748023 [0,2,0,0,0,0|1,0,1]=4 16706 B12R0.248 CCC(C)COCCCCCCCl 7a_100000766143_100000748023 [0,2,0,0,0,0|1,0,1]=4 16707 B12R0.248 CCC(C)COCCCCCCF 34a_100000732779_100000748023 [0,2,0,0,0,0|1,0,1]=4 16708 B12R0.248 CCC(C)COCCCCCCF 7a_100000732779_100000748023 [0,2,0,0,0,0|1,0,1]=4 16709 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [0,2,0,0,0,0|1,0,1]=4 16710 B12R0.248 CCC(C)COCCCCCNC 34a_100000722520_100000748023 [0,2,0,0,0,0|1,0,1]=4 16711 B12R0.248 CCC(C)CSCCCCCCF 62a_100000748023_100015922095 [0,2,0,0,0,0|1,0,1]=4 16712 B12R0.248 CCC(C)CSCCCCCCF 62a_100015922095_100000748023 [0,2,0,0,0,0|1,0,1]=4 16713 B12R0.248 CCC(C)CSCCCCCCO 62a_100000748023_100000766143 [0,2,0,0,0,0|1,0,1]=4 16714 B12R0.248 CCC(C)CSCCCCCCO 62a_100000766143_100000748023 [0,2,0,0,0,0|1,0,1]=4 16715 B12R0.248 CCC(C)NCCCCCCCO 2230a_100000209981_100000760002 [0,2,0,0,0,0|1,0,1]=4 16716 B12R0.248 CCC(C)NCCCCCCCO 2230a_100011996573_100000758301 [0,2,0,0,0,0|1,0,1]=4 16717 B12R0.248 CCC(C)NCCCCCCCO 34a_100011996573_100011215416 [0,2,0,0,0,0|1,0,1]=4 16718 B12R0.248 CCC(C)NCCCCCCOC 2230a_100000209981_100011998445 [0,2,0,0,0,0|1,0,1]=4 16719 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,2,0,0,0,0|1,0,1]=4 16720 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,2,0,0,0,0|1,0,1]=4 16721 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,2,0,0,0,0|1,0,1]=4 16722 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,2,0,0,0,0|1,0,1]=4 16723 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,2,0,0,0,0|1,0,1]=4 16724 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,2,0,0,0,0|1,0,1]=4 16725 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,2,0,0,0,0|1,0,1]=4 16726 B12R0.248 CCC(C)SCCCCCCCO 62a_100000758301_100000760002 [0,2,0,0,0,0|1,0,1]=4 16727 B12R0.248 CCC(C)SCCCCCCCO 62a_100000760002_100000758301 [0,2,0,0,0,0|1,0,1]=4 16728 B12R0.248 CCC(C)SCCCCCCOC 62a_100000758301_100011998445 [0,2,0,0,0,0|1,0,1]=4 16729 B12R0.248 CCC(C)SCCCCCCOC 62a_100011998445_100000758301 [0,2,0,0,0,0|1,0,1]=4 16730 B12R0.248 CCC(O)CNCCCCCCF 2230a_100011218483_100015922095 [0,2,0,0,0,0|0,0,2]=4 16731 B12R0.248 CCC(O)CNCCCCCCO 2230a_100000686447_100011218378 [0,2,0,0,0,0|0,0,2]=4 16732 B12R0.248 CCC(O)CNCCCCCCO 2230a_100011218483_100000766143 [0,2,0,0,0,0|0,0,2]=4 16733 B12R0.248 CCC(O)CNCCCCCCO 34a_100000686447_100011218378 [0,2,0,0,0,0|0,0,2]=4 16734 B12R0.248 CCC(O)CNCCCCCOC 2230a_100000747528_100011218378 [0,2,0,0,0,0|0,0,2]=4 16735 B12R0.248 CCC(O)CNCCCCCOC 34a_100000747528_100011218378 [0,2,0,0,0,0|0,0,2]=4 16736 B12R0.248 CCC(O)COCCCCCCBr 34a_100011215345_100011218378 [0,2,0,0,0,0|0,0,2]=4 16737 B12R0.248 CCC(O)COCCCCCCBr 7a_100011215345_100011218378 [0,2,0,0,0,0|0,0,2]=4 16738 B12R0.248 CCC(O)COCCCCCCCl 34a_100000766143_100011218378 [0,2,0,0,0,0|0,0,2]=4 16739 B12R0.248 CCC(O)COCCCCCCCl 7a_100000766143_100011218378 [0,2,0,0,0,0|0,0,2]=4 16740 B12R0.248 CCC(O)COCCCCCCF 34a_100000732779_100011218378 [0,2,0,0,0,0|0,0,2]=4 16741 B12R0.248 CCC(O)COCCCCCCF 7a_100000732779_100011218378 [0,2,0,0,0,0|0,0,2]=4 16742 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,2,0,0,0,0|0,0,2]=4 16743 B12R0.248 CCC(O)COCCCCCNC 34a_100000722520_100011218378 [0,2,0,0,0,0|0,0,2]=4 16744 B12R0.248 CCC(O)CSCCCCCCF 62a_100011218378_100015922095 [0,2,0,0,0,0|0,0,2]=4 16745 B12R0.248 CCC(O)CSCCCCCCF 62a_100015922095_100011218378 [0,2,0,0,0,0|0,0,2]=4 16746 B12R0.248 CCC(O)CSCCCCCCO 62a_100000766143_100011218378 [0,2,0,0,0,0|0,0,2]=4 16747 B12R0.248 CCC(O)CSCCCCCCO 62a_100011218378_100000766143 [0,2,0,0,0,0|0,0,2]=4 16748 B12R0.248 CCC/C=C/COCCC(=O)NC 34a_100016278788_100012179268 [0,2,0,0,0,0|1,0,1]=4 16749 B12R0.248 CCC/C=C/COCCC(=O)NC 7a_100016278788_100000737683 [0,2,0,0,0,0|1,0,1]=4 16750 B12R0.248 CCC/C=C/COCCC(=O)OC 34a_100016278788_100000742370 [0,2,0,0,0,0|1,0,1]=4 16751 B12R0.248 CCC/C=C/COCCC(=O)OC 7a_100016278788_100000204255 [0,2,0,0,0,0|1,0,1]=4 16752 B12R0.248 CCCC#CCCOCC(=O)CC 7a_100000042726_100000747405 [0,2,0,0,0,0|0,0,1]=3 16753 B12R0.248 CCCC#CCCOCC(=O)NC 34a_100000042726_100000183359 [0,2,0,0,0,0|1,0,1]=4 16754 B12R0.248 CCCC#CCCOCC(=O)NC 7a_100000042726_100000183359 [0,2,0,0,0,0|1,0,1]=4 16755 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,2,0,0,0,0|1,0,1]=4 16756 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,2,0,0,0,0|1,0,1]=4 16757 B12R0.248 CCCC#CCOCCC(=O)NC 34a_100000034806_100012179268 [0,2,0,0,0,0|1,0,1]=4 16758 B12R0.248 CCCC#CCOCCC(=O)NC 7a_100000034806_100000737683 [0,2,0,0,0,0|1,0,1]=4 16759 B12R0.248 CCCC#CCOCCC(=O)OC 34a_100000034806_100000742370 [0,2,0,0,0,0|1,0,1]=4 16760 B12R0.248 CCCC#CCOCCC(=O)OC 7a_100000034806_100000204255 [0,2,0,0,0,0|1,0,1]=4 16761 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [0,2,0,0,0,0|0,0,1]=3 16762 B12R0.248 CCCC/C=C/COCC(=O)NC 34a_200016272032_100000183359 [0,2,0,0,0,0|1,0,1]=4 16763 B12R0.248 CCCC/C=C/COCC(=O)NC 7a_200016272032_100000183359 [0,2,0,0,0,0|1,0,1]=4 16764 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,2,0,0,0,0|1,0,1]=4 16765 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,2,0,0,0,0|1,0,1]=4 16766 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,2,0,0,0,0|0,0,0]=2 16767 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,2,0,0,0,0|1,0,0]=3 16768 B12R0.248 CCCCC#CCCCN(C)CC 2230a_100000225621_200000047210 [0,2,0,0,0,0|2,0,0]=4 16769 B12R0.248 CCCCC#CCCCN(C)CC 269982a_100000225621_200000047210 [0,2,0,0,0,0|2,0,0]=4 16770 B12R0.248 CCCCC#CCOCC(=O)CC 7a_200000034558_100000747405 [0,2,0,0,0,0|0,0,1]=3 16771 B12R0.248 CCCCC#CCOCC(=O)NC 34a_200000034558_100000183359 [0,2,0,0,0,0|1,0,1]=4 16772 B12R0.248 CCCCC#CCOCC(=O)NC 7a_200000034558_100000183359 [0,2,0,0,0,0|1,0,1]=4 16773 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,2,0,0,0,0|1,0,1]=4 16774 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,2,0,0,0,0|1,0,1]=4 16775 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|0,0,0]=2 16776 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|1,0,0]=3 16777 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|1,0,0]=3 16778 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 16779 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 16780 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|1,0,0]=3 16781 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|0,0,0]=2 16782 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|1,0,0]=3 16783 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|1,0,0]=3 16784 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|1,0,0]=3 16785 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|1,0,0]=3 16786 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,2,0,0,0,0|0,0,1]=3 16787 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|0,0,0]=2 16788 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|1,0,0]=3 16789 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|1,0,0]=3 16790 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 16791 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 16792 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|0,0,0]=2 16793 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|0,0,0]=2 16794 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,2,0,0,0,0|1,0,0]=3 16795 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,2,0,0,0,0|1,0,0]=3 16796 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,2,0,0,0,0|1,0,0]=3 16797 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 16798 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 16799 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 16800 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [0,2,0,0,0,0|2,0,0]=4 16801 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [0,2,0,0,0,0|2,0,0]=4 16802 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [0,2,0,0,0,0|2,0,0]=4 16803 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [0,2,0,0,0,0|2,0,0]=4 16804 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|0,0,0]=2 16805 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|0,0,0]=2 16806 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|0,0,0]=2 16807 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|0,0,0]=2 16808 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,2,0,0,0,0|1,0,0]=3 16809 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,2,0,0,0,0|1,0,0]=3 16810 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,2,0,0,0,0|1,0,0]=3 16811 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 16812 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 16813 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 16814 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 16815 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,2,0,0,0,0|1,0,0]=3 16816 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [0,2,0,0,0,0|1,0,1]=4 16817 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [0,2,0,0,0,0|1,0,1]=4 16818 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [0,2,0,0,0,0|1,0,1]=4 16819 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,2,0,0,0,0|1,0,1]=4 16820 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,2,0,0,0,0|1,0,1]=4 16821 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,2,0,0,0,0|1,0,1]=4 16822 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [0,2,0,0,0,0|1,0,1]=4 16823 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [0,2,0,0,0,0|1,0,1]=4 16824 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,2,0,0,0,0|1,0,0]=3 16825 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,2,0,0,0,0|1,0,0]=3 16826 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|1,0,0]=3 16827 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [0,2,0,0,0,0|1,0,1]=4 16828 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [0,2,0,0,0,0|1,0,1]=4 16829 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [0,2,0,0,0,0|1,0,1]=4 16830 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,2,0,0,0,0|0,0,2]=4 16831 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,2,0,0,0,0|0,0,2]=4 16832 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [0,2,0,0,0,0|1,0,1]=4 16833 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|0,0,0]=2 16834 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|0,0,0]=2 16835 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 16836 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,2,0,0,0,0|1,0,0]=3 16837 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 16838 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|1,0,0]=3 16839 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|1,0,0]=3 16840 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,2,0,0,0,0|1,0,1]=4 16841 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,2,0,0,0,0|1,0,1]=4 16842 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,2,0,0,0,0|0,0,2]=4 16843 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,2,0,0,0,0|0,0,2]=4 16844 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,2,0,0,0,0|1,0,1]=4 16845 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,2,0,0,0,0|1,0,1]=4 16846 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,2,0,0,0,0|1,0,1]=4 16847 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|0,0,0]=2 16848 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|0,0,0]=2 16849 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,2,0,0,0,0|1,0,0]=3 16850 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,2,0,0,0,0|1,0,0]=3 16851 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|1,0,0]=3 16852 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|1,0,0]=3 16853 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [0,2,0,0,0,0|1,0,1]=4 16854 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [0,2,0,0,0,0|1,0,1]=4 16855 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,2,0,0,0,0|0,0,2]=4 16856 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,2,0,0,0,0|0,0,2]=4 16857 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [0,2,0,0,0,0|1,0,1]=4 16858 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [0,2,0,0,0,0|1,0,1]=4 16859 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,2,0,0,0,0|1,0,0]=3 16860 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 16861 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 16862 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|1,0,0]=3 16863 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [0,2,0,0,0,0|1,0,1]=4 16864 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,2,0,0,0,0|1,0,0]=3 16865 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,2,0,0,0,0|1,0,0]=3 16866 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,2,0,0,0,0|1,0,0]=3 16867 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|1,0,0]=3 16868 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|1,0,0]=3 16869 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [0,2,0,0,0,0|1,0,1]=4 16870 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,2,0,0,0,0|1,0,0]=3 16871 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,2,0,0,0,0|1,0,0]=3 16872 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|1,0,0]=3 16873 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|1,0,0]=3 16874 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,2,0,0,0,0|1,0,0]=3 16875 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,2,0,0,0,0|1,0,1]=4 16876 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,2,0,0,0,0|1,0,0]=3 16877 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,2,0,0,0,0|1,0,0]=3 16878 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,2,0,0,0,0|1,0,0]=3 16879 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|1,0,0]=3 16880 B12R0.248 CCCCCNCCCN(C)CC 2230a_100000209983_100015186262 [0,2,0,0,0,0|2,0,0]=4 16881 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,2,0,0,0,0|0,0,0]=2 16882 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,2,0,0,0,0|1,0,0]=3 16883 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [0,2,0,0,0,0|1,0,1]=4 16884 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,2,0,0,0,0|1,0,1]=4 16885 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,2,0,0,0,0|1,0,1]=4 16886 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,2,0,0,0,0|1,0,1]=4 16887 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 16888 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 16889 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,2,0,0,0,0|2,0,0]=4 16890 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|1,0,0]=3 16891 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|1,0,0]=3 16892 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [0,2,0,0,0,0|1,0,1]=4 16893 B12R0.248 CCCCCOCCCN(C)CC 7a_100000210253_100015186262 [0,2,0,0,0,0|2,0,0]=4 16894 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,2,0,0,0,0|0,0,0]=2 16895 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,2,0,0,0,0|0,0,0]=2 16896 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,2,0,0,0,0|1,0,0]=3 16897 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|0,0,0]=2 16898 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,2,0,0,0,0|1,0,0]=3 16899 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,2,0,0,0,0|1,0,0]=3 16900 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,2,0,0,0,0|1,0,0]=3 16901 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [0,2,0,0,0,0|1,0,1]=4 16902 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [0,2,0,0,0,0|1,0,1]=4 16903 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,2,0,0,0,0|1,0,1]=4 16904 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,2,0,0,0,0|1,0,1]=4 16905 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,2,0,0,0,0|1,0,0]=3 16906 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,2,0,0,0,0|1,0,0]=3 16907 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|1,0,0]=3 16908 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|1,0,0]=3 16909 B12R0.248 CCCCCSCCCN(C)CC 62a_100000210326_100015186262 [0,2,0,0,0,0|2,0,0]=4 16910 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,2,0,0,0,0|1,0,0]=3 16911 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,2,0,0,0,0|1,0,0]=3 16912 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|1,0,0]=3 16913 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|1,0,0]=3 16914 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,2,0,0,0,0|1,0,0]=3 16915 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,2,0,0,0,0|1,0,0]=3 16916 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,2,0,0,0,0|1,0,1]=4 16917 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|1,0,0]=3 16918 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|1,0,0]=3 16919 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|1,0,0]=3 16920 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|1,0,0]=3 16921 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,2,0,0,0,0|0,0,0]=2 16922 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,2,0,0,0,0|0,0,0]=2 16923 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,2,0,0,0,0|0,0,0]=2 16924 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,2,0,0,0,0|1,0,0]=3 16925 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,2,0,0,0,0|1,0,0]=3 16926 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,2,0,0,0,0|1,0,0]=3 16927 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,2,0,0,0,0|1,0,0]=3 16928 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,2,0,0,0,0|1,0,0]=3 16929 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,2,0,0,0,0|1,0,0]=3 16930 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,2,0,0,0,0|1,0,0]=3 16931 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,2,0,0,0,0|1,0,0]=3 16932 B12R0.248 CCCCOCCCNC(C)CC 2230a_200000211371_100000758301 [0,2,0,0,0,0|1,0,1]=4 16933 B12R0.248 CCCCOCCCNC(C)CC 34a_200000211371_100011215416 [0,2,0,0,0,0|1,0,1]=4 16934 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [0,2,0,0,0,0|1,0,1]=4 16935 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [0,2,0,0,0,0|1,0,1]=4 16936 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,2,0,0,0,0|1,0,0]=3 16937 B12R0.248 CCCCOCCNCC(C)CC 2230a_100020588543_100000743108 [0,2,0,0,0,0|1,0,1]=4 16938 B12R0.248 CCCCOCCNCC(O)CC 2230a_100011218483_100000743108 [0,2,0,0,0,0|0,0,2]=4 16939 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|0,0,0]=2 16940 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|0,0,0]=2 16941 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|0,0,0]=2 16942 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,2,0,0,0,0|1,0,0]=3 16943 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,2,0,0,0,0|1,0,0]=3 16944 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 16945 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 16946 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,2,0,0,0,0|1,0,0]=3 16947 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,2,0,0,0,0|1,0,0]=3 16948 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 16949 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,2,0,0,0,0|1,0,0]=3 16950 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,2,0,0,0,0|1,0,0]=3 16951 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,2,0,0,0,0|1,0,0]=3 16952 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,2,0,0,0,0|1,0,0]=3 16953 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,2,0,0,0,0|1,0,0]=3 16954 B12R0.248 CCCCOCCOCC(C)CC 34a_100000210238_100000748023 [0,2,0,0,0,0|1,0,1]=4 16955 B12R0.248 CCCCOCCOCC(C)CC 7a_100000210238_100000748023 [0,2,0,0,0,0|1,0,1]=4 16956 B12R0.248 CCCCOCCOCC(O)CC 34a_100000210238_100011218378 [0,2,0,0,0,0|0,0,2]=4 16957 B12R0.248 CCCCOCCOCC(O)CC 7a_100000210238_100011218378 [0,2,0,0,0,0|0,0,2]=4 16958 B12R0.248 CCCCOCCOC[C@@H](C)CC 34a_100000210238_100009816398 [0,2,0,0,0,0|1,0,1]=4 16959 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100000210238_100009816398 [0,2,0,0,0,0|1,0,1]=4 16960 B12R0.248 CCCCOCCOC[C@@H](C)CC 7a_100009816381_100000743108 [0,2,0,0,0,0|1,0,1]=4 16961 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,2,0,0,0,0|0,0,0]=2 16962 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,2,0,0,0,0|0,0,0]=2 16963 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,2,0,0,0,0|1,0,0]=3 16964 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,2,0,0,0,0|1,0,0]=3 16965 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,2,0,0,0,0|1,0,0]=3 16966 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,2,0,0,0,0|1,0,0]=3 16967 B12R0.248 CCCCOCCSCC(C)CC 62a_100000743108_100000748023 [0,2,0,0,0,0|1,0,1]=4 16968 B12R0.248 CCCCOCCSCC(C)CC 62a_100000748023_100000743108 [0,2,0,0,0,0|1,0,1]=4 16969 B12R0.248 CCCCOCCSCC(O)CC 62a_100000743108_100011218378 [0,2,0,0,0,0|0,0,2]=4 16970 B12R0.248 CCCCOCCSCC(O)CC 62a_100011218378_100000743108 [0,2,0,0,0,0|0,0,2]=4 16971 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100000743108_100009816398 [0,2,0,0,0,0|1,0,1]=4 16972 B12R0.248 CCCCOCCSC[C@@H](C)CC 62a_100009816398_100000743108 [0,2,0,0,0,0|1,0,1]=4 16973 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,2,0,0,0,0|1,0,0]=3 16974 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,2,0,0,0,0|1,0,0]=3 16975 B12R0.248 CCCCOCNCCC(C)CC 2230a_100020591266_100011995733 [0,2,0,0,0,0|1,0,1]=4 16976 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,2,0,0,0,0|1,0,0]=3 16977 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,2,0,0,0,0|1,0,0]=3 16978 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,2,0,0,0,0|1,0,0]=3 16979 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,2,0,0,0,0|1,0,0]=3 16980 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,2,0,0,0,0|1,0,0]=3 16981 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,2,0,0,0,0|2,0,0]=4 16982 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|1,0,0]=3 16983 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|1,0,0]=3 16984 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,2,0,0,0,0|1,0,0]=3 16985 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,2,0,0,0,0|1,0,0]=3 16986 B12R0.248 CCCCSCCNCC(C)CC 2230a_100025743550_100000748023 [0,2,0,0,0,0|1,0,1]=4 16987 B12R0.248 CCCCSCCNCC(C)CC 270004a_100025743550_100000243153 [0,2,0,0,0,0|1,0,1]=4 16988 B12R0.248 CCCCSCCNCC(O)CC 2230a_100025743550_100011218378 [0,2,0,0,0,0|0,0,2]=4 16989 B12R0.248 CCCCSCCNC[C@@H](C)CC 2230a_100025743550_100009816398 [0,2,0,0,0,0|1,0,1]=4 16990 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|0,0,0]=2 16991 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,2,0,0,0,0|1,0,0]=3 16992 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,2,0,0,0,0|1,0,0]=3 16993 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,2,0,0,0,0|1,0,0]=3 16994 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,2,0,0,0,0|1,0,0]=3 16995 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,2,0,0,0,0|1,0,0]=3 16996 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,2,0,0,0,0|1,0,0]=3 16997 B12R0.248 CCCCSCCOCC(C)CC 34a_200000230436_100000748023 [0,2,0,0,0,0|1,0,1]=4 16998 B12R0.248 CCCCSCCOCC(C)CC 7a_200000230436_100000748023 [0,2,0,0,0,0|1,0,1]=4 16999 B12R0.248 CCCCSCCOCC(O)CC 34a_200000230436_100011218378 [0,2,0,0,0,0|0,0,2]=4 17000 B12R0.248 CCCCSCCOCC(O)CC 7a_200000230436_100011218378 [0,2,0,0,0,0|0,0,2]=4 17001 B12R0.248 CCCCSCCOC[C@@H](C)CC 34a_200000230436_100009816398 [0,2,0,0,0,0|1,0,1]=4 17002 B12R0.248 CCCCSCCOC[C@@H](C)CC 7a_200000230436_100009816398 [0,2,0,0,0,0|1,0,1]=4 17003 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [0,2,0,0,0,0|1,0,1]=4 17004 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|1,0,0]=3 17005 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|1,0,0]=3 17006 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|1,0,0]=3 17007 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [0,2,0,0,0,0|1,0,1]=4 17008 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,2,0,0,0,0|1,0,0]=3 17009 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,2,0,0,0,0|1,0,0]=3 17010 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,2,0,0,0,0|1,0,0]=3 17011 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,2,0,0,0,0|1,0,0]=3 17012 B12R0.248 CCCOCCCNCC(C)CC 2230a_100011217757_100000748023 [0,2,0,0,0,0|1,0,1]=4 17013 B12R0.248 CCCOCCCNCC(C)CC 270004a_100011217757_100000243153 [0,2,0,0,0,0|1,0,1]=4 17014 B12R0.248 CCCOCCCNCC(C)CC 34a_100011217757_100000748023 [0,2,0,0,0,0|1,0,1]=4 17015 B12R0.248 CCCOCCCNCC(O)CC 2230a_100011217757_100011218378 [0,2,0,0,0,0|0,0,2]=4 17016 B12R0.248 CCCOCCCNCC(O)CC 34a_100011217757_100011218378 [0,2,0,0,0,0|0,0,2]=4 17017 B12R0.248 CCCOCCCNC[C@@H](C)CC 2230a_100011217757_100009816398 [0,2,0,0,0,0|1,0,1]=4 17018 B12R0.248 CCCOCCCNC[C@@H](C)CC 34a_100011217757_100009816398 [0,2,0,0,0,0|1,0,1]=4 17019 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,2,0,0,0,0|1,0,0]=3 17020 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,2,0,0,0,0|1,0,0]=3 17021 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,2,0,0,0,0|1,0,0]=3 17022 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,2,0,0,0,0|1,0,0]=3 17023 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,2,0,0,0,0|1,0,0]=3 17024 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,2,0,0,0,0|1,0,0]=3 17025 B12R0.248 CCCOCCNCCC(C)CC 2230a_100020591266_100011215938 [0,2,0,0,0,0|1,0,1]=4 17026 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,2,0,0,0,0|1,0,0]=3 17027 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,2,0,0,0,0|1,0,0]=3 17028 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,2,0,0,0,0|1,0,0]=3 17029 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,2,0,0,0,0|1,0,0]=3 17030 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,2,0,0,0,0|1,0,0]=3 17031 B12R0.248 CCCOCCOCCC(C)CC 7a_100011215188_100011215938 [0,2,0,0,0,0|1,0,1]=4 17032 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,2,0,0,0,0|1,0,0]=3 17033 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,2,0,0,0,0|1,0,0]=3 17034 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,2,0,0,0,0|1,0,0]=3 17035 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,2,0,0,0,0|1,0,0]=3 17036 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,2,0,0,0,0|2,0,0]=4 17037 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|1,0,0]=3 17038 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|1,0,0]=3 17039 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,2,0,0,0,0|1,0,0]=3 17040 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,2,0,0,0,0|1,0,0]=3 17041 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,2,0,0,0,0|1,0,0]=3 17042 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,2,0,0,0,0|1,0,0]=3 17043 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,2,0,0,0,0|1,0,0]=3 17044 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,2,0,0,0,0|1,0,0]=3 17045 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [0,2,0,0,0,0|2,0,0]=4 17046 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [0,2,0,0,0,0|2,0,0]=4 17047 B12R0.248 CCN(C)CCCNCCCCO 2230a_100000750430_100015186262 [0,2,0,0,0,0|2,0,0]=4 17048 B12R0.248 CCN(C)CCCNCCCSC 2230a_100000749238_100015186262 [0,2,0,0,0,0|2,0,0]=4 17049 B12R0.248 CCN(C)CCCOCCCCCl 7a_100000210776_100015186262 [0,2,0,0,0,0|2,0,0]=4 17050 B12R0.248 CCN(C)CCCOCCCCF 7a_100011995726_100015186262 [0,2,0,0,0,0|2,0,0]=4 17051 B12R0.248 CCN(C)CCCOCCCSC 7a_100000690336_100015186262 [0,2,0,0,0,0|2,0,0]=4 17052 B12R0.248 CCN(C)CCCSCCCCF 62a_100000729493_100015186262 [0,2,0,0,0,0|2,0,0]=4 17053 B12R0.248 CCN(C)CCCSCCCCO 62a_100000210776_100015186262 [0,2,0,0,0,0|2,0,0]=4 17054 B12R0.248 CCN(C)CCCSCCCOC 62a_100000709357_100015186262 [0,2,0,0,0,0|2,0,0]=4 17055 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|1,0,0]=3 17056 B12R0.248 CCNN=CCCCCC(=O)OC 4a_100000756455_100000052768 [0,2,0,0,0,0|1,0,1]=4 17057 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|1,0,0]=3 17058 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|1,0,0]=3 17059 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|1,0,0]=3 17060 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,2,0,0,0,0|1,0,0]=3 17061 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,2,0,0,0,0|1,0,0]=3 17062 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,2,0,0,0,0|1,0,0]=3 17063 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,2,0,0,0,0|1,0,0]=3 17064 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,2,0,0,0,0|1,0,0]=3 17065 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,2,0,0,0,0|1,0,0]=3 17066 B12R0.248 CCOCCCNCCC(C)CC 2230a_100020591266_100012232248 [0,2,0,0,0,0|1,0,1]=4 17067 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,2,0,0,0,0|1,0,0]=3 17068 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,2,0,0,0,0|1,0,0]=3 17069 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,2,0,0,0,0|1,0,0]=3 17070 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,2,0,0,0,0|1,0,0]=3 17071 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,2,0,0,0,0|1,0,0]=3 17072 B12R0.248 CCOCCCOCCC(C)CC 7a_100011215188_100012232248 [0,2,0,0,0,0|1,0,1]=4 17073 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,2,0,0,0,0|1,0,0]=3 17074 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,2,0,0,0,0|1,0,0]=3 17075 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,2,0,0,0,0|1,0,0]=3 17076 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,2,0,0,0,0|1,0,0]=3 17077 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,2,0,0,0,0|2,0,0]=4 17078 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,2,0,0,0,0|1,0,0]=3 17079 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,2,0,0,0,0|1,0,0]=3 17080 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,2,0,0,0,0|1,0,0]=3 17081 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,2,0,0,0,0|1,0,0]=3 17082 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,2,0,0,0,0|1,0,0]=3 17083 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,2,0,0,0,0|1,0,0]=3 17084 B12R0.248 CCOCCNCCCN(C)CC 2230a_102516460346_100015186262 [0,2,0,0,0,0|2,0,0]=4 17085 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [0,2,0,0,0,0|1,0,0]=3 17086 B12R0.248 CCOCCNCCNC(=O)NC 34a_100015205895_100000210147 [0,2,0,0,0,0|2,0,0]=4 17087 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [0,2,0,0,0,0|2,0,0]=4 17088 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,2,0,0,0,0|1,0,0]=3 17089 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,2,0,0,0,0|1,0,0]=3 17090 B12R0.248 CCOCCOCCCC(=O)NN 34a_100000211488_100000210147 [0,2,0,0,0,0|2,0,0]=4 17091 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,2,0,0,0,0|1,0,0]=3 17092 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,2,0,0,0,0|1,0,0]=3 17093 B12R0.248 CCOCCOCCCC(C)CC 7a_100011216074_100011215890 [0,2,0,0,0,0|1,0,1]=4 17094 B12R0.248 CCOCCOCCCN(C)CC 7a_100000210136_100015186262 [0,2,0,0,0,0|2,0,0]=4 17095 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [0,2,0,0,0,0|1,0,0]=3 17096 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [0,2,0,0,0,0|1,0,0]=3 17097 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [0,2,0,0,0,0|1,0,0]=3 17098 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [0,2,0,0,0,0|1,0,0]=3 17099 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [0,2,0,0,0,0|1,0,0]=3 17100 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [0,2,0,0,0,0|1,0,0]=3 17101 B12R0.248 CCOCCOCCNC(=O)CO 240690a_100102712874_100000210174 [0,2,0,0,0,0|2,0,0]=4 17102 B12R0.248 CCOCCOCCNC(=O)CO 527a_100102712874_100000210174 [0,2,0,0,0,0|2,0,0]=4 17103 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102657272_100102712874 [0,2,0,0,0,0|2,0,0]=4 17104 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102712874_106832991635 [0,2,0,0,0,0|2,0,0]=4 17105 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102657272_100102712874 [0,2,0,0,0,0|2,0,0]=4 17106 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102712874_100102657272 [0,2,0,0,0,0|2,0,0]=4 17107 B12R0.248 CCOCCOCCNC(=O)NC 512a_100102712874_100102657272 [0,2,0,0,0,0|2,0,0]=4 17108 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,2,0,0,0,0|2,0,0]=4 17109 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,2,0,0,0,0|1,0,0]=3 17110 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [0,2,0,0,0,0|2,0,0]=4 17111 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [0,2,0,0,0,0|2,0,0]=4 17112 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,2,0,0,0,0|2,0,0]=4 17113 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,2,0,0,0,0|1,0,0]=3 17114 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,2,0,0,0,0|1,0,0]=3 17115 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,2,0,0,0,0|1,0,0]=3 17116 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,2,0,0,0,0|1,0,0]=3 17117 B12R0.248 CCOCCSCCCN(C)CC 62a_100000210147_100015186262 [0,2,0,0,0,0|2,0,0]=4 17118 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [0,2,0,0,0,0|2,0,0]=4 17119 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [0,2,0,0,0,0|2,0,0]=4 17120 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,2,0,0,0,0|1,0,0]=3 17121 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,2,0,0,0,0|1,0,0]=3 17122 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,2,0,0,0,0|2,0,0]=4 17123 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,2,0,0,0,0|2,0,0]=4 17124 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|1,0,0]=3 17125 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|1,0,0]=3 17126 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,2,0,0,0,0|1,0,0]=3 17127 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,2,0,0,0,0|1,0,0]=3 17128 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,2,0,0,0,0|1,0,0]=3 17129 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,2,0,0,0,0|1,0,0]=3 17130 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,2,0,0,0,0|1,0,0]=3 17131 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,2,0,0,0,0|1,0,0]=3 17132 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,2,0,0,0,0|1,0,0]=3 17133 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,2,0,0,0,0|1,0,0]=3 17134 B12R0.248 CCSCCNCCCN(C)CC 2230a_100000106463_100015186262 [0,2,0,0,0,0|2,0,0]=4 17135 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [0,2,0,0,0,0|1,0,0]=3 17136 B12R0.248 CCSCCNCCNC(=O)NC 34a_100015205895_100000757381 [0,2,0,0,0,0|2,0,0]=4 17137 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,2,0,0,0,0|1,0,0]=3 17138 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,2,0,0,0,0|1,0,0]=3 17139 B12R0.248 CCSCCOCCCC(=O)NN 34a_100000211488_100000757381 [0,2,0,0,0,0|2,0,0]=4 17140 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,2,0,0,0,0|1,0,0]=3 17141 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,2,0,0,0,0|1,0,0]=3 17142 B12R0.248 CCSCCOCCCC(C)CC 7a_100011216074_100000757381 [0,2,0,0,0,0|1,0,1]=4 17143 B12R0.248 CCSCCOCCCN(C)CC 7a_100000212035_100015186262 [0,2,0,0,0,0|2,0,0]=4 17144 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [0,2,0,0,0,0|1,0,0]=3 17145 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [0,2,0,0,0,0|1,0,0]=3 17146 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,2,0,0,0,0|2,0,0]=4 17147 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,2,0,0,0,0|1,0,0]=3 17148 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [0,2,0,0,0,0|2,0,0]=4 17149 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [0,2,0,0,0,0|2,0,0]=4 17150 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,2,0,0,0,0|2,0,0]=4 17151 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,2,0,0,0,0|1,0,0]=3 17152 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,2,0,0,0,0|1,0,0]=3 17153 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,2,0,0,0,0|1,0,0]=3 17154 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,2,0,0,0,0|1,0,0]=3 17155 B12R0.248 CCSCCSCCCN(C)CC 62a_100000757381_100015186262 [0,2,0,0,0,0|2,0,0]=4 17156 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [0,2,0,0,0,0|2,0,0]=4 17157 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [0,2,0,0,0,0|2,0,0]=4 17158 B12R0.248 CC[C@H](C)CNCCCCCCO 2230a_100000686447_100009816398 [0,2,0,0,0,0|1,0,1]=4 17159 B12R0.248 CC[C@H](C)CNCCCCCCO 34a_100000686447_100009816398 [0,2,0,0,0,0|1,0,1]=4 17160 B12R0.248 CC[C@H](C)CNCCCCCOC 2230a_100000747528_100009816398 [0,2,0,0,0,0|1,0,1]=4 17161 B12R0.248 CC[C@H](C)CNCCCCCOC 34a_100000747528_100009816398 [0,2,0,0,0,0|1,0,1]=4 17162 B12R0.248 CC[C@H](C)COCCCCCCBr 34a_100011215345_100009816398 [0,2,0,0,0,0|1,0,1]=4 17163 B12R0.248 CC[C@H](C)COCCCCCCBr 7a_100011215345_100009816398 [0,2,0,0,0,0|1,0,1]=4 17164 B12R0.248 CC[C@H](C)COCCCCCCCl 34a_100000766143_100009816398 [0,2,0,0,0,0|1,0,1]=4 17165 B12R0.248 CC[C@H](C)COCCCCCCCl 7a_100000766143_100009816398 [0,2,0,0,0,0|1,0,1]=4 17166 B12R0.248 CC[C@H](C)COCCCCCCF 34a_100000732779_100009816398 [0,2,0,0,0,0|1,0,1]=4 17167 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100000732779_100009816398 [0,2,0,0,0,0|1,0,1]=4 17168 B12R0.248 CC[C@H](C)COCCCCCCF 7a_100009816381_100015922095 [0,2,0,0,0,0|1,0,1]=4 17169 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [0,2,0,0,0,0|1,0,1]=4 17170 B12R0.248 CC[C@H](C)COCCCCCCO 7a_100009816381_100000766143 [0,2,0,0,0,0|1,0,1]=4 17171 B12R0.248 CC[C@H](C)COCCCCCNC 34a_100000722520_100009816398 [0,2,0,0,0,0|1,0,1]=4 17172 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100009816398_100015922095 [0,2,0,0,0,0|1,0,1]=4 17173 B12R0.248 CC[C@H](C)CSCCCCCCF 62a_100015922095_100009816398 [0,2,0,0,0,0|1,0,1]=4 17174 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100000766143_100009816398 [0,2,0,0,0,0|1,0,1]=4 17175 B12R0.248 CC[C@H](C)CSCCCCCCO 62a_100009816398_100000766143 [0,2,0,0,0,0|1,0,1]=4 17176 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,2,0,0,0,0|1,0,0]=3 17177 B12R0.248 CNC(=O)CCCNCCCC#N 2230a_100000740002_100000687738 [0,2,0,0,0,0|1,0,1]=4 17178 B12R0.248 CNC(=O)CCCNCCCC=O 2230a_100000740002_200011292268 [0,2,0,0,0,0|1,0,1]=4 17179 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,2,0,0,0,0|1,0,0]=3 17180 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,2,0,0,0,0|1,0,0]=3 17181 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,2,0,0,0,0|1,0,0]=3 17182 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 17183 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,2,0,0,0,0|1,0,0]=3 17184 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 17185 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,2,0,0,0,0|1,0,0]=3 17186 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,2,0,0,0,0|1,0,0]=3 17187 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,2,0,0,0,0|1,0,0]=3 17188 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,2,0,0,0,0|1,0,0]=3 17189 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,2,0,0,0,0|1,0,0]=3 17190 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 17191 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 17192 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,2,0,0,0,0|1,0,0]=3 17193 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,2,0,0,0,0|1,0,0]=3 17194 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,2,0,0,0,0|1,0,0]=3 17195 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,2,0,0,0,0|1,0,0]=3 17196 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,2,0,0,0,0|1,0,0]=3 17197 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,2,0,0,0,0|1,0,0]=3 17198 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,2,0,0,0,0|1,0,0]=3 17199 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000687738_100000741757 [0,2,0,0,0,0|1,0,1]=4 17200 B12R0.248 CNC(=O)CCCSCCCC#N 62a_100000741757_100000687738 [0,2,0,0,0,0|1,0,1]=4 17201 B12R0.248 CNC(=O)CCCSCCCC=O 62a_100000741757_200011292268 [0,2,0,0,0,0|1,0,1]=4 17202 B12R0.248 CNC(=O)CCCSCCCC=O 62a_200011292268_100000741757 [0,2,0,0,0,0|1,0,1]=4 17203 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,2,0,0,0,0|1,0,0]=3 17204 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,2,0,0,0,0|1,0,0]=3 17205 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,2,0,0,0,0|1,0,0]=3 17206 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,2,0,0,0,0|1,0,0]=3 17207 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,2,0,0,0,0|1,0,0]=3 17208 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,2,0,0,0,0|1,0,0]=3 17209 B12R0.248 CNC(=O)CCNCCCCC#N 2230a_100000738227_100000211819 [0,2,0,0,0,0|1,0,1]=4 17210 B12R0.248 CNC(=O)CCNCCCCC=O 2230a_100000738227_100000139335 [0,2,0,0,0,0|1,0,1]=4 17211 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,2,0,0,0,0|1,0,0]=3 17212 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,2,0,0,0,0|1,0,0]=3 17213 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,2,0,0,0,0|1,0,0]=3 17214 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,2,0,0,0,0|1,0,0]=3 17215 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,2,0,0,0,0|1,0,0]=3 17216 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,2,0,0,0,0|1,0,0]=3 17217 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,2,0,0,0,0|1,0,0]=3 17218 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,2,0,0,0,0|1,0,0]=3 17219 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000211614_100000737683 [0,2,0,0,0,0|2,0,0]=4 17220 B12R0.248 CNC(=O)CCNCCOCCO 2230a_100000738227_100011215305 [0,2,0,0,0,0|2,0,0]=4 17221 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000211614_100012179268 [0,2,0,0,0,0|2,0,0]=4 17222 B12R0.248 CNC(=O)CCNCCOCCO 34a_100000738227_100000692535 [0,2,0,0,0,0|2,0,0]=4 17223 B12R0.248 CNC(=O)CCNCCSCCO 2230a_100011219999_100000737683 [0,2,0,0,0,0|2,0,0]=4 17224 B12R0.248 CNC(=O)CCNCOCCOC 2230a_100000738227_100000231047 [0,2,0,0,0,0|2,0,0]=4 17225 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,2,0,0,0,0|1,0,0]=3 17226 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,2,0,0,0,0|1,0,0]=3 17227 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,2,0,0,0,0|1,0,0]=3 17228 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,2,0,0,0,0|1,0,0]=3 17229 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,2,0,0,0,0|1,0,0]=3 17230 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,2,0,0,0,0|1,0,0]=3 17231 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,2,0,0,0,0|1,0,0]=3 17232 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,2,0,0,0,0|1,0,0]=3 17233 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,2,0,0,0,0|1,0,0]=3 17234 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,2,0,0,0,0|1,0,0]=3 17235 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,2,0,0,0,0|1,0,0]=3 17236 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,2,0,0,0,0|1,0,0]=3 17237 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,2,0,0,0,0|1,0,0]=3 17238 B12R0.248 CNC(=O)CCOCCOCCBr 34a_100000692535_100012179268 [0,2,0,0,0,0|2,0,0]=4 17239 B12R0.248 CNC(=O)CCOCCOCCBr 7a_100000692535_100000737683 [0,2,0,0,0,0|2,0,0]=4 17240 B12R0.248 CNC(=O)CCOCCOCCCl 34a_100011215305_100012179268 [0,2,0,0,0,0|2,0,0]=4 17241 B12R0.248 CNC(=O)CCOCCOCCCl 7a_100011215305_100000737683 [0,2,0,0,0,0|2,0,0]=4 17242 B12R0.248 CNC(=O)CCOCCOCCF 34a_200015357709_100012179268 [0,2,0,0,0,0|2,0,0]=4 17243 B12R0.248 CNC(=O)CCOCCOCCF 7a_200015357709_100000737683 [0,2,0,0,0,0|2,0,0]=4 17244 B12R0.248 CNC(=O)CCOCCOCCI 34a_100012149058_100012179268 [0,2,0,0,0,0|2,0,0]=4 17245 B12R0.248 CNC(=O)CCOCCOCCI 7a_100012149058_100000737683 [0,2,0,0,0,0|2,0,0]=4 17246 B12R0.248 CNC(=O)CCOCCOCCN 34a_100000211614_100012179268 [0,2,0,0,0,0|2,0,0]=4 17247 B12R0.248 CNC(=O)CCOCCOCCO 1626a_100102657272_100009915118 [0,2,0,0,0,0|2,0,0]=4 17248 B12R0.248 CNC(=O)CCOCCOCCO 240690a_100102657272_100009915118 [0,2,0,0,0,0|2,0,0]=4 17249 B12R0.248 CNC(=O)CCOCCOCCO 34a_100000754576_100000692535 [0,2,0,0,0,0|2,0,0]=4 17250 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100000737683_100000211819 [0,2,0,0,0,0|1,0,1]=4 17251 B12R0.248 CNC(=O)CCSCCCCC#N 62a_100011219923_100000737683 [0,2,0,0,0,0|1,0,1]=4 17252 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000139335_100000737683 [0,2,0,0,0,0|1,0,1]=4 17253 B12R0.248 CNC(=O)CCSCCCCC=O 62a_100000737683_100000139335 [0,2,0,0,0,0|1,0,1]=4 17254 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,2,0,0,0,0|1,0,0]=3 17255 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,2,0,0,0,0|1,0,0]=3 17256 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,2,0,0,0,0|1,0,0]=3 17257 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,2,0,0,0,0|1,0,0]=3 17258 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,2,0,0,0,0|1,0,0]=3 17259 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,2,0,0,0,0|1,0,0]=3 17260 B12R0.248 CNC(=O)CCSCCOCCO 62a_100000737683_100011215305 [0,2,0,0,0,0|2,0,0]=4 17261 B12R0.248 CNC(=O)CCSCCOCCO 62a_100011215305_100000737683 [0,2,0,0,0,0|2,0,0]=4 17262 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000231047_100000737683 [0,2,0,0,0,0|2,0,0]=4 17263 B12R0.248 CNC(=O)CCSCOCCOC 62a_100000737683_100000231047 [0,2,0,0,0,0|2,0,0]=4 17264 B12R0.248 CNC(=O)CNCCCCCC#N 2230a_100000693194_100009813376 [0,2,0,0,0,0|1,0,1]=4 17265 B12R0.248 CNC(=O)CNCCCCCC=O 2230a_100000693194_100000139337 [0,2,0,0,0,0|1,0,1]=4 17266 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,2,0,0,0,0|1,0,0]=3 17267 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 17268 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,2,0,0,0,0|1,0,0]=3 17269 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 17270 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,2,0,0,0,0|1,0,0]=3 17271 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,2,0,0,0,0|1,0,0]=3 17272 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000693194_100000695917 [0,2,0,0,0,0|2,0,0]=4 17273 B12R0.248 CNC(=O)CNCCOCCOC 2230a_100000745349_100000183359 [0,2,0,0,0,0|2,0,0]=4 17274 B12R0.248 CNC(=O)CNCCOCCOC 34a_100000745349_100000183359 [0,2,0,0,0,0|2,0,0]=4 17275 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,2,0,0,0,0|1,0,0]=3 17276 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,2,0,0,0,0|1,0,0]=3 17277 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 17278 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 17279 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,2,0,0,0,0|1,0,0]=3 17280 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,2,0,0,0,0|1,0,0]=3 17281 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,2,0,0,0,0|1,0,0]=3 17282 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 17283 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,2,0,0,0,0|1,0,0]=3 17284 B12R0.248 CNC(=O)COCCOCCOC 11a_106832991635_100011214951 [0,2,0,0,0,0|2,0,0]=4 17285 B12R0.248 CNC(=O)COCCOCCOC 1626a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 17286 B12R0.248 CNC(=O)COCCOCCOC 240690a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 17287 B12R0.248 CNC(=O)COCCOCCOC 34a_100000750040_100000695917 [0,2,0,0,0,0|2,0,0]=4 17288 B12R0.248 CNC(=O)COCCOCCOC 34a_100011215163_100000183359 [0,2,0,0,0,0|2,0,0]=4 17289 B12R0.248 CNC(=O)COCCOCCOC 527a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 17290 B12R0.248 CNC(=O)COCCOCCOC 7a_100011215163_100000183359 [0,2,0,0,0,0|2,0,0]=4 17291 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100000183359_100009813376 [0,2,0,0,0,0|1,0,1]=4 17292 B12R0.248 CNC(=O)CSCCCCCC#N 62a_100009813376_100000183359 [0,2,0,0,0,0|1,0,1]=4 17293 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000139337_100000183359 [0,2,0,0,0,0|1,0,1]=4 17294 B12R0.248 CNC(=O)CSCCCCCC=O 62a_100000183359_100000139337 [0,2,0,0,0,0|1,0,1]=4 17295 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,2,0,0,0,0|1,0,0]=3 17296 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,2,0,0,0,0|1,0,0]=3 17297 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,2,0,0,0,0|1,0,0]=3 17298 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 17299 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000183359_100000695917 [0,2,0,0,0,0|2,0,0]=4 17300 B12R0.248 CNC(=O)CSCCOCCOC 62a_100000695917_100000183359 [0,2,0,0,0,0|2,0,0]=4 17301 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,2,0,0,0,0|1,0,0]=3 17302 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,2,0,0,0,0|1,0,0]=3 17303 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,2,0,0,0,0|1,0,0]=3 17304 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,2,0,0,0,0|1,0,0]=3 17305 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,2,0,0,0,0|1,0,0]=3 17306 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,2,0,0,0,0|1,0,0]=3 17307 B12R0.248 CNC(=O)NCCCOCCCO 2708a_100102657272_100011310245 [0,2,0,0,0,0|2,0,0]=4 17308 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100011310245_100102657272 [0,2,0,0,0,0|2,0,0]=4 17309 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100102657272_100011310245 [0,2,0,0,0,0|2,0,0]=4 17310 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100000206027_106832991635 [0,2,0,0,0,0|2,0,0]=4 17311 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100102657272_100000206027 [0,2,0,0,0,0|2,0,0]=4 17312 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100000206027_100102657272 [0,2,0,0,0,0|2,0,0]=4 17313 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100102657272_100000206027 [0,2,0,0,0,0|2,0,0]=4 17314 B12R0.248 CNC(=O)NCCNCCCCF 34a_100015205895_100000729493 [0,2,0,0,0,0|2,0,0]=4 17315 B12R0.248 CNC(=O)NCCNCCCCO 34a_100015205895_100011216708 [0,2,0,0,0,0|2,0,0]=4 17316 B12R0.248 CNC(=O)NCCNCCCOC 34a_100015205895_100000740836 [0,2,0,0,0,0|2,0,0]=4 17317 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [0,2,0,0,0,0|2,0,0]=4 17318 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [0,2,0,0,0,0|2,0,0]=4 17319 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [0,2,0,0,0,0|2,0,0]=4 17320 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 17321 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 17322 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [0,2,0,0,0,0|2,0,0]=4 17323 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [0,2,0,0,0,0|2,0,0]=4 17324 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [0,2,0,0,0,0|2,0,0]=4 17325 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [0,2,0,0,0,0|2,0,0]=4 17326 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [0,2,0,0,0,0|2,0,0]=4 17327 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [0,2,0,0,0,0|2,0,0]=4 17328 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [0,2,0,0,0,0|2,0,0]=4 17329 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [0,2,0,0,0,0|2,0,0]=4 17330 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [0,2,0,0,0,0|2,0,0]=4 17331 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [0,2,0,0,0,0|2,0,0]=4 17332 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [0,2,0,0,0,0|2,0,0]=4 17333 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [0,2,0,0,0,0|2,0,0]=4 17334 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [0,2,0,0,0,0|2,0,0]=4 17335 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|1,0,0]=3 17336 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|1,0,0]=3 17337 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|1,0,0]=3 17338 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,2,0,0,0,0|1,0,0]=3 17339 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,2,0,0,0,0|1,0,0]=3 17340 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,2,0,0,0,0|1,0,0]=3 17341 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,2,0,0,0,0|1,0,0]=3 17342 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [0,2,0,0,0,0|2,0,0]=4 17343 B12R0.248 CNCCOCCOCC(=O)NC 34a_100000228057_100000183359 [0,2,0,0,0,0|2,0,0]=4 17344 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,2,0,0,0,0|2,0,0]=4 17345 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|1,0,0]=3 17346 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|1,0,0]=3 17347 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|1,0,0]=3 17348 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|1,0,0]=3 17349 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|1,0,0]=3 17350 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|1,0,0]=3 17351 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,2,0,0,0,0|1,0,0]=3 17352 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,2,0,0,0,0|1,0,0]=3 17353 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,2,0,0,0,0|1,0,0]=3 17354 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,2,0,0,0,0|1,0,0]=3 17355 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,2,0,0,0,0|1,0,0]=3 17356 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,2,0,0,0,0|1,0,0]=3 17357 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,2,0,0,0,0|1,0,0]=3 17358 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [0,2,0,0,0,0|1,0,1]=4 17359 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,2,0,0,0,0|1,0,1]=4 17360 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,2,0,0,0,0|1,0,1]=4 17361 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,2,0,0,0,0|1,0,0]=3 17362 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,2,0,0,0,0|1,0,0]=3 17363 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,2,0,0,0,0|1,0,0]=3 17364 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,2,0,0,0,0|1,0,0]=3 17365 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,2,0,0,0,0|1,0,0]=3 17366 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,2,0,0,0,0|1,0,0]=3 17367 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,2,0,0,0,0|1,0,0]=3 17368 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [0,2,0,0,0,0|1,0,1]=4 17369 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [0,2,0,0,0,0|1,0,1]=4 17370 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,2,0,0,0,0|1,0,1]=4 17371 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,2,0,0,0,0|1,0,1]=4 17372 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,2,0,0,0,0|1,0,0]=3 17373 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,2,0,0,0,0|1,0,0]=3 17374 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,2,0,0,0,0|1,0,0]=3 17375 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,2,0,0,0,0|1,0,0]=3 17376 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,2,0,0,0,0|1,0,0]=3 17377 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,2,0,0,0,0|1,0,0]=3 17378 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,2,0,0,0,0|1,0,0]=3 17379 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,2,0,0,0,0|1,0,0]=3 17380 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,2,0,0,0,0|1,0,0]=3 17381 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [0,2,0,0,0,0|1,0,1]=4 17382 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,2,0,0,0,0|1,0,0]=3 17383 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,2,0,0,0,0|1,0,0]=3 17384 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,2,0,0,0,0|1,0,0]=3 17385 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,2,0,0,0,0|1,0,0]=3 17386 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,2,0,0,0,0|1,0,0]=3 17387 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,2,0,0,0,0|1,0,0]=3 17388 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,2,0,0,0,0|1,0,0]=3 17389 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,2,0,0,0,0|1,0,0]=3 17390 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [0,2,0,0,0,0|2,0,0]=4 17391 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,2,0,0,0,0|1,0,0]=3 17392 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,2,0,0,0,0|1,0,0]=3 17393 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,2,0,0,0,0|1,0,0]=3 17394 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,2,0,0,0,0|1,0,0]=3 17395 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [0,2,0,0,0,0|1,0,1]=4 17396 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [0,2,0,0,0,0|1,0,1]=4 17397 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,2,0,0,0,0|1,0,0]=3 17398 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,2,0,0,0,0|1,0,0]=3 17399 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,2,0,0,0,0|1,0,0]=3 17400 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,2,0,0,0,0|1,0,0]=3 17401 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,2,0,0,0,0|1,0,0]=3 17402 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,2,0,0,0,0|1,0,0]=3 17403 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,2,0,0,0,0|1,0,0]=3 17404 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,2,0,0,0,0|1,0,0]=3 17405 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,2,0,0,0,0|1,0,0]=3 17406 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,2,0,0,0,0|1,0,0]=3 17407 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,2,0,0,0,0|1,0,0]=3 17408 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,2,0,0,0,0|1,0,0]=3 17409 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,2,0,0,0,0|1,0,0]=3 17410 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,2,0,0,0,0|1,0,0]=3 17411 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,2,0,0,0,0|1,0,0]=3 17412 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,2,0,0,0,0|1,0,0]=3 17413 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,2,0,0,0,0|1,0,0]=3 17414 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,2,0,0,0,0|1,0,0]=3 17415 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [0,2,0,0,0,0|1,0,1]=4 17416 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [0,2,0,0,0,0|1,0,1]=4 17417 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,2,0,0,0,0|1,0,1]=4 17418 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,2,0,0,0,0|1,0,1]=4 17419 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,2,0,0,0,0|1,0,0]=3 17420 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,2,0,0,0,0|1,0,0]=3 17421 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,2,0,0,0,0|1,0,0]=3 17422 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,2,0,0,0,0|1,0,0]=3 17423 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,2,0,0,0,0|1,0,0]=3 17424 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,2,0,0,0,0|1,0,0]=3 17425 B12R0.248 COC(=O)CCNCCOCCO 2230a_100000211614_100000204255 [0,2,0,0,0,0|2,0,0]=4 17426 B12R0.248 COC(=O)CCNCCOCCO 34a_100000211614_100000742370 [0,2,0,0,0,0|2,0,0]=4 17427 B12R0.248 COC(=O)CCNCCSCCO 2230a_100011219999_100000204255 [0,2,0,0,0,0|2,0,0]=4 17428 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,2,0,0,0,0|1,0,0]=3 17429 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,2,0,0,0,0|1,0,0]=3 17430 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,2,0,0,0,0|1,0,0]=3 17431 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,2,0,0,0,0|1,0,0]=3 17432 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,2,0,0,0,0|1,0,0]=3 17433 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,2,0,0,0,0|1,0,0]=3 17434 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,2,0,0,0,0|1,0,0]=3 17435 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,2,0,0,0,0|1,0,0]=3 17436 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,2,0,0,0,0|1,0,0]=3 17437 B12R0.248 COC(=O)CCOCCOCCBr 34a_100000692535_100000742370 [0,2,0,0,0,0|2,0,0]=4 17438 B12R0.248 COC(=O)CCOCCOCCBr 7a_100000692535_100000204255 [0,2,0,0,0,0|2,0,0]=4 17439 B12R0.248 COC(=O)CCOCCOCCCl 34a_100011215305_100000742370 [0,2,0,0,0,0|2,0,0]=4 17440 B12R0.248 COC(=O)CCOCCOCCCl 7a_100011215305_100000204255 [0,2,0,0,0,0|2,0,0]=4 17441 B12R0.248 COC(=O)CCOCCOCCF 34a_200015357709_100000742370 [0,2,0,0,0,0|2,0,0]=4 17442 B12R0.248 COC(=O)CCOCCOCCF 7a_200015357709_100000204255 [0,2,0,0,0,0|2,0,0]=4 17443 B12R0.248 COC(=O)CCOCCOCCI 34a_100012149058_100000742370 [0,2,0,0,0,0|2,0,0]=4 17444 B12R0.248 COC(=O)CCOCCOCCI 7a_100012149058_100000204255 [0,2,0,0,0,0|2,0,0]=4 17445 B12R0.248 COC(=O)CCOCCOCCN 34a_100000211614_100000742370 [0,2,0,0,0,0|2,0,0]=4 17446 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [0,2,0,0,0,0|1,0,1]=4 17447 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [0,2,0,0,0,0|1,0,1]=4 17448 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,2,0,0,0,0|1,0,1]=4 17449 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,2,0,0,0,0|1,0,1]=4 17450 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,2,0,0,0,0|1,0,0]=3 17451 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,2,0,0,0,0|1,0,0]=3 17452 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,2,0,0,0,0|1,0,0]=3 17453 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,2,0,0,0,0|1,0,0]=3 17454 B12R0.248 COC(=O)CCSCCOCCO 62a_100000204255_100011215305 [0,2,0,0,0,0|2,0,0]=4 17455 B12R0.248 COC(=O)CCSCCOCCO 62a_100011215305_100000204255 [0,2,0,0,0,0|2,0,0]=4 17456 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|1,0,0]=3 17457 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,0]=3 17458 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,2,0,0,0,0|1,0,0]=3 17459 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,2,0,0,0,0|1,0,0]=3 17460 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,2,0,0,0,0|1,0,0]=3 17461 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,2,0,0,0,0|1,0,0]=3 17462 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,2,0,0,0,0|1,0,0]=3 17463 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,2,0,0,0,0|1,0,0]=3 17464 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,0]=3 17465 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,2,0,0,0,0|2,0,0]=4 17466 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,2,0,0,0,0|2,0,0]=4 17467 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,2,0,0,0,0|2,0,0]=4 17468 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,2,0,0,0,0|2,0,0]=4 17469 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,2,0,0,0,0|2,0,0]=4 17470 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,2,0,0,0,0|2,0,0]=4 17471 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,2,0,0,0,0|2,0,0]=4 17472 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,2,0,0,0,0|2,0,0]=4 17473 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,2,0,0,0,0|2,0,0]=4 17474 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,2,0,0,0,0|2,0,0]=4 17475 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,2,0,0,0,0|2,0,0]=4 17476 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,2,0,0,0,0|2,0,0]=4 17477 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,2,0,0,0,0|2,0,0]=4 17478 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,2,0,0,0,0|2,0,0]=4 17479 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,2,0,0,0,0|2,0,0]=4 17480 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,2,0,0,0,0|2,0,0]=4 17481 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,2,0,0,0,0|2,0,0]=4 17482 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,2,0,0,0,0|1,0,1]=4 17483 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,2,0,0,0,0|1,0,1]=4 17484 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,2,0,0,0,0|1,0,1]=4 17485 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,2,0,0,0,0|1,0,1]=4 17486 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,2,0,0,0,0|1,0,0]=3 17487 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,2,0,0,0,0|1,0,0]=3 17488 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|1,0,0]=3 17489 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|1,0,0]=3 17490 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,2,0,0,0,0|2,0,0]=4 17491 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,2,0,0,0,0|2,0,0]=4 17492 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,2,0,0,0,0|2,0,0]=4 17493 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,2,0,0,0,0|2,0,0]=4 17494 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,2,0,0,0,0|2,0,0]=4 17495 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,2,0,0,0,0|2,0,0]=4 17496 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|1,0,0]=3 17497 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|1,0,0]=3 17498 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|1,0,0]=3 17499 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,2,0,0,0,0|1,0,0]=3 17500 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,2,0,0,0,0|1,0,0]=3 17501 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,2,0,0,0,0|1,0,0]=3 17502 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,2,0,0,0,0|1,0,0]=3 17503 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,2,0,0,0,0|1,0,0]=3 17504 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,2,0,0,0,0|2,0,0]=4 17505 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,2,0,0,0,0|1,0,0]=3 17506 B12R0.248 COCCCOCCCC(=O)NN 34a_100000211488_100000740836 [0,2,0,0,0,0|2,0,0]=4 17507 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,2,0,0,0,0|1,0,0]=3 17508 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,2,0,0,0,0|2,0,0]=4 17509 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,2,0,0,0,0|2,0,0]=4 17510 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,2,0,0,0,0|1,0,0]=3 17511 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,2,0,0,0,0|1,0,0]=3 17512 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,2,0,0,0,0|1,0,0]=3 17513 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,2,0,0,0,0|2,0,0]=4 17514 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,2,0,0,0,0|1,0,0]=3 17515 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,2,0,0,0,0|1,0,0]=3 17516 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,2,0,0,0,0|1,0,0]=3 17517 B12R0.248 COCCOCCCNC(=O)CO 240690a_100000206027_100000210174 [0,2,0,0,0,0|2,0,0]=4 17518 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,2,0,0,0,0|2,0,0]=4 17519 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,2,0,0,0,0|2,0,0]=4 17520 B12R0.248 COCCOCCOCC(=O)CF 1458a_100011214951_100015361967 [0,2,0,0,0,0|2,0,0]=4 17521 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,2,0,0,0,0|2,0,0]=4 17522 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,2,0,0,0,0|2,0,0]=4 17523 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,2,0,0,0,0|2,0,0]=4 17524 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,2,0,0,0,0|2,0,0]=4 17525 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,2,0,0,0,0|2,0,0]=4 17526 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,2,0,0,0,0|2,0,0]=4 17527 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,2,0,0,0,0|2,0,0]=4 17528 B12R0.248 COCCOCSCCC(=O)OC 62a_100000204255_100000231047 [0,2,0,0,0,0|2,0,0]=4 17529 B12R0.248 COCCOCSCCC(=O)OC 62a_100000231047_100000204255 [0,2,0,0,0,0|2,0,0]=4 17530 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,2,0,0,0,0|1,0,0]=3 17531 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,2,0,0,0,0|1,0,0]=3 17532 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,2,0,0,0,0|2,0,0]=4 17533 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,2,0,0,0,0|2,0,0]=4 17534 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,2,0,0,0,0|1,0,0]=3 17535 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,2,0,0,0,0|1,0,0]=3 17536 B12R0.248 NNC(=O)CCCOCCCCF 34a_100000211488_100000729493 [0,2,0,0,0,0|2,0,0]=4 17537 B12R0.248 NNC(=O)CCCOCCCCO 34a_100000211488_100011216708 [0,2,0,0,0,0|2,0,0]=4 17538 B12R0.248 O=C(CF)CCOCCOCCO 1458a_100009915118_100015361967 [0,2,0,0,0,0|2,0,0]=4 17539 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,2,0,0,0,0|1,0,0]=3 17540 B12R0.248 O=C(CO)CCOCCOCCO 1458a_100000210174_100000032323 [0,2,0,0,0,0|2,0,0]=4 17541 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,2,0,0,0,0|1,0,0]=3 17542 B12R0.248 O=C(CO)NCCCOCCCO 240690a_100011310245_100000210174 [0,2,0,0,0,0|2,0,0]=4 17543 B12R0.251 C#CCCCCCCC(=O)C(=C)C 1458a_100000185857_100012276617 [0,2,0,0,0,0|0,0,2]=4 17544 B12R0.251 C#CCCCCCCC(=O)C(C)C 1458a_100000034748_100000210206 [0,2,0,0,0,0|0,0,1]=3 17545 B12R0.251 C#CCCCCCCC(=O)C(C)C 1458a_100000210198_100012276617 [0,2,0,0,0,0|0,0,1]=3 17546 B12R0.251 C#CCCCCCCC(=O)C(C)F 1458a_100000062450_100012276617 [0,2,0,0,0,0|0,0,1]=3 17547 B12R0.251 C#CCCCCCCC(=O)C(O)O 1458a_100000233687_100012276617 [0,2,0,0,0,0|1,0,1]=4 17548 B12R0.251 C#CCCCCCCC(=O)N(C)C 11a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 17549 B12R0.251 C#CCCCCCCC(=O)N(C)C 1626a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 17550 B12R0.251 C#CCCCCCCC(=O)N(C)C 240690a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 17551 B12R0.251 C#CCCCCCCC(=O)N(C)C 527a_100102631434_100000034748 [0,2,0,0,0,0|1,0,1]=4 17552 B12R0.251 C#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012276617 [0,2,0,0,0,0|0,0,1]=3 17553 B12R0.251 C#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012276617 [0,2,0,0,0,0|0,0,1]=3 17554 B12R0.251 C#CCCCCNCC(=O)C(C)C 2230a_100000706060_100000753385 [0,2,0,0,0,0|0,0,2]=4 17555 B12R0.251 C#CCCCCNCC(=O)C(C)C 34a_100000706060_100000753385 [0,2,0,0,0,0|0,0,2]=4 17556 B12R0.251 C#CCCCCOCC(=O)C(C)C 34a_100000766709_100000753385 [0,2,0,0,0,0|0,0,2]=4 17557 B12R0.251 C#CCCCCOCC(=O)C(C)C 7a_100000766709_100000753385 [0,2,0,0,0,0|0,0,2]=4 17558 B12R0.251 C#CCCCCSCC(=O)C(C)C 62a_100000753385_100010269958 [0,2,0,0,0,0|0,0,2]=4 17559 B12R0.251 C#CCCCCSCC(=O)C(C)C 62a_100010269958_100000753385 [0,2,0,0,0,0|0,0,2]=4 17560 B12R0.251 C=C(Br)C(=O)NCCCCCCC 11a_100000229938_100009813364 [0,2,0,0,0,0|0,0,2]=4 17561 B12R0.251 C=C(Br)C(=O)NCCCCCCC 1626a_100000229938_100009813364 [0,2,0,0,0,0|0,0,2]=4 17562 B12R0.251 C=C(C)C(=O)CC#CCCCCC 1458a_100000185857_100009816472 [0,2,0,0,0,0|0,0,2]=4 17563 B12R0.251 C=C(C)C(=O)CCCCCCC#N 1458a_100000185857_100009813337 [0,2,0,0,0,0|0,0,2]=4 17564 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,2,0,0,0,0|0,0,1]=3 17565 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,2,0,0,0,0|0,0,1]=3 17566 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,2,0,0,0,0|0,0,1]=3 17567 B12R0.251 C=C(C)C(=O)CCCOCCOC 1458a_100000185857_100011216529 [0,2,0,0,0,0|1,0,1]=4 17568 B12R0.251 C=C(C)C(=O)CCOCCOCC 1458a_100000185857_100011211534 [0,2,0,0,0,0|1,0,1]=4 17569 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,2,0,0,0,0|0,0,1]=3 17570 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,2,0,0,0,0|0,0,1]=3 17571 B12R0.251 C=C(C)C(=O)NCCCCCOC 11a_100000747528_100000185857 [0,2,0,0,0,0|1,0,1]=4 17572 B12R0.251 C=C(C)C(=O)NCCCCCOC 1626a_100000747528_100000185857 [0,2,0,0,0,0|1,0,1]=4 17573 B12R0.251 C=C(C)C(=O)NCCCNCCC 2230a_100016987756_100000210303 [0,2,0,0,0,0|1,0,1]=4 17574 B12R0.251 C=C(C)C(=O)NCCCOCCC 1626a_100011217757_100000185857 [0,2,0,0,0,0|1,0,1]=4 17575 B12R0.251 C=C(C)C(=O)NCCNCCCC 2230a_100102636416_100000210211 [0,2,0,0,0,0|1,0,1]=4 17576 B12R0.251 C=C(C)C(=O)NCCSCCCC 11a_100025743550_100000185857 [0,2,0,0,0,0|1,0,1]=4 17577 B12R0.251 C=C(C)C(=O)NCCSCCCC 1626a_100025743550_100000185857 [0,2,0,0,0,0|1,0,1]=4 17578 B12R0.251 C=C(C)C(=O)OCCCCOCC 7a_100000065474_100000210202 [0,2,0,0,0,0|1,0,1]=4 17579 B12R0.251 C=C(C)C(=O)OCCCOCCC 7a_100000032641_100000210303 [0,2,0,0,0,0|1,0,1]=4 17580 B12R0.251 C=C(C)C(=O)OCCNCCCC 2230a_100000102301_100009816335 [0,2,0,0,0,0|1,0,1]=4 17581 B12R0.251 C=C(C)C(=O)OCCNCCCC 7a_106832991798_100009816335 [0,2,0,0,0,0|1,0,1]=4 17582 B12R0.251 C=C(C)C(=O)OCCOCCCC 34a_100000210227_100009816335 [0,2,0,0,0,0|1,0,1]=4 17583 B12R0.251 C=C(C)C(=O)OCCOCCCC 7a_100000210227_100009816335 [0,2,0,0,0,0|1,0,1]=4 17584 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100000210211_100009816335 [0,2,0,0,0,0|1,0,1]=4 17585 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100009816335_100000210210 [0,2,0,0,0,0|1,0,1]=4 17586 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 11a_100000229938_100000039160 [0,2,0,0,0,0|0,0,2]=4 17587 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 1626a_100000229938_100000039160 [0,2,0,0,0,0|0,0,2]=4 17588 B12R0.251 C=C(F)C(=O)NCCCCCCC 11a_100000229938_100000036797 [0,2,0,0,0,0|0,0,2]=4 17589 B12R0.251 C=C(F)C(=O)NCCCCCCC 1626a_100000229938_100000036797 [0,2,0,0,0,0|0,0,2]=4 17590 B12R0.251 C=CCCCCCCC(=O)C(=C)C 1458a_100000185857_100011215473 [0,2,0,0,0,0|0,0,2]=4 17591 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100000210198_100011215473 [0,2,0,0,0,0|0,0,1]=3 17592 B12R0.251 C=CCCCCCCC(=O)C(C)C 1458a_100011809334_100000210206 [0,2,0,0,0,0|0,0,1]=3 17593 B12R0.251 C=CCCCCCCC(=O)C(C)F 1458a_100000062450_100011215473 [0,2,0,0,0,0|0,0,1]=3 17594 B12R0.251 C=CCCCCCCC(=O)C(O)O 1458a_100000233687_100011215473 [0,2,0,0,0,0|1,0,1]=4 17595 B12R0.251 C=CCCCCCCC(=O)N(C)C 11a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 17596 B12R0.251 C=CCCCCCCC(=O)N(C)C 1626a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 17597 B12R0.251 C=CCCCCCCC(=O)N(C)C 240690a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 17598 B12R0.251 C=CCCCCCCC(=O)N(C)C 527a_100102631434_100011809334 [0,2,0,0,0,0|1,0,1]=4 17599 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [0,2,0,0,0,0|0,0,1]=3 17600 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [0,2,0,0,0,0|0,0,1]=3 17601 B12R0.251 C=CCCCCNCC(=O)C(C)C 2230a_100000703577_100000753385 [0,2,0,0,0,0|0,0,2]=4 17602 B12R0.251 C=CCCCCNCC(=O)C(C)C 34a_100000703577_100000753385 [0,2,0,0,0,0|0,0,2]=4 17603 B12R0.251 C=CCCCCOCC(=O)C(C)C 34a_100000766645_100000753385 [0,2,0,0,0,0|0,0,2]=4 17604 B12R0.251 C=CCCCCOCC(=O)C(C)C 7a_100000766645_100000753385 [0,2,0,0,0,0|0,0,2]=4 17605 B12R0.251 C=CCCCCSCC(=O)C(C)C 62a_100000753385_100011215482 [0,2,0,0,0,0|0,0,2]=4 17606 B12R0.251 C=CCCCCSCC(=O)C(C)C 62a_100011215482_100000753385 [0,2,0,0,0,0|0,0,2]=4 17607 B12R0.251 CC(=O)C(=O)CNCCCCCO 34a_100000762737_100011261029 [0,2,0,0,0,0|1,0,1]=4 17608 B12R0.251 CC(=O)C(=O)COCCCCCBr 34a_100000746331_100011261029 [0,2,0,0,0,0|1,0,1]=4 17609 B12R0.251 CC(=O)C(=O)COCCCCCCl 34a_100000746330_100011261029 [0,2,0,0,0,0|1,0,1]=4 17610 B12R0.251 CC(=O)C(=O)COCCCCCI 34a_200012148887_100011261029 [0,2,0,0,0,0|1,0,1]=4 17611 B12R0.251 CC(=O)C(=O)COCCCCCN 34a_100000762737_100011261029 [0,2,0,0,0,0|1,0,1]=4 17612 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100000729378_100011261029 [0,2,0,0,0,0|1,0,1]=4 17613 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100011261029_100000729378 [0,2,0,0,0,0|1,0,1]=4 17614 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100000746330_100011261029 [0,2,0,0,0,0|1,0,1]=4 17615 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100011261029_100000746330 [0,2,0,0,0,0|1,0,1]=4 17616 B12R0.251 CC(C)C(=O)CCCCCCC#N 1458a_100000210198_100009813337 [0,2,0,0,0,0|0,0,1]=3 17617 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [0,2,0,0,0,0|0,0,0]=2 17618 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [0,2,0,0,0,0|0,0,0]=2 17619 B12R0.251 CC(C)C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210206 [0,2,0,0,0,0|2,0,0]=4 17620 B12R0.251 CC(C)C(=O)CNCCCCCO 2230a_100000762737_100000753385 [0,2,0,0,0,0|1,0,0]=3 17621 B12R0.251 CC(C)C(=O)CNCCCCCO 34a_100000762737_100000753385 [0,2,0,0,0,0|1,0,0]=3 17622 B12R0.251 CC(C)C(=O)CNCCOCCO 2230a_100000211614_100000753385 [0,2,0,0,0,0|2,0,0]=4 17623 B12R0.251 CC(C)C(=O)CNCCOCCO 34a_100000211614_100000753385 [0,2,0,0,0,0|2,0,0]=4 17624 B12R0.251 CC(C)C(=O)CNCCSCCO 2230a_100011219999_100000753385 [0,2,0,0,0,0|2,0,0]=4 17625 B12R0.251 CC(C)C(=O)COCCCCCBr 34a_100000746331_100000753385 [0,2,0,0,0,0|1,0,0]=3 17626 B12R0.251 CC(C)C(=O)COCCCCCBr 7a_100000746331_100000753385 [0,2,0,0,0,0|1,0,0]=3 17627 B12R0.251 CC(C)C(=O)COCCCCCCl 34a_100000746330_100000753385 [0,2,0,0,0,0|1,0,0]=3 17628 B12R0.251 CC(C)C(=O)COCCCCCCl 7a_100000746330_100000753385 [0,2,0,0,0,0|1,0,0]=3 17629 B12R0.251 CC(C)C(=O)COCCCCCI 34a_200012148887_100000753385 [0,2,0,0,0,0|1,0,0]=3 17630 B12R0.251 CC(C)C(=O)COCCCCCI 7a_200012148887_100000753385 [0,2,0,0,0,0|1,0,0]=3 17631 B12R0.251 CC(C)C(=O)COCCCCCN 34a_100000762737_100000753385 [0,2,0,0,0,0|1,0,0]=3 17632 B12R0.251 CC(C)C(=O)COCCOCCBr 34a_100000692535_100000753385 [0,2,0,0,0,0|2,0,0]=4 17633 B12R0.251 CC(C)C(=O)COCCOCCBr 7a_100000692535_100000753385 [0,2,0,0,0,0|2,0,0]=4 17634 B12R0.251 CC(C)C(=O)COCCOCCCl 34a_100011215305_100000753385 [0,2,0,0,0,0|2,0,0]=4 17635 B12R0.251 CC(C)C(=O)COCCOCCCl 7a_100011215305_100000753385 [0,2,0,0,0,0|2,0,0]=4 17636 B12R0.251 CC(C)C(=O)COCCOCCF 34a_200015357709_100000753385 [0,2,0,0,0,0|2,0,0]=4 17637 B12R0.251 CC(C)C(=O)COCCOCCF 7a_200015357709_100000753385 [0,2,0,0,0,0|2,0,0]=4 17638 B12R0.251 CC(C)C(=O)COCCOCCI 34a_100012149058_100000753385 [0,2,0,0,0,0|2,0,0]=4 17639 B12R0.251 CC(C)C(=O)COCCOCCI 7a_100012149058_100000753385 [0,2,0,0,0,0|2,0,0]=4 17640 B12R0.251 CC(C)C(=O)COCCOCCN 34a_100000211614_100000753385 [0,2,0,0,0,0|2,0,0]=4 17641 B12R0.251 CC(C)C(=O)COCCOCCO 1458a_106645077154_100000210206 [0,2,0,0,0,0|2,0,0]=4 17642 B12R0.251 CC(C)C(=O)CSCCCCC#N 62a_100000753385_100000211819 [0,2,0,0,0,0|1,0,1]=4 17643 B12R0.251 CC(C)C(=O)CSCCCCC#N 62a_100011219923_100000753385 [0,2,0,0,0,0|1,0,1]=4 17644 B12R0.251 CC(C)C(=O)CSCCCCC=O 62a_100000139335_100000753385 [0,2,0,0,0,0|1,0,1]=4 17645 B12R0.251 CC(C)C(=O)CSCCCCC=O 62a_100000753385_100000139335 [0,2,0,0,0,0|1,0,1]=4 17646 B12R0.251 CC(C)C(=O)CSCCCCCF 62a_100000729378_100000753385 [0,2,0,0,0,0|1,0,0]=3 17647 B12R0.251 CC(C)C(=O)CSCCCCCF 62a_100000753385_100000729378 [0,2,0,0,0,0|1,0,0]=3 17648 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000746330_100000753385 [0,2,0,0,0,0|1,0,0]=3 17649 B12R0.251 CC(C)C(=O)CSCCCCCO 62a_100000753385_100000746330 [0,2,0,0,0,0|1,0,0]=3 17650 B12R0.251 CC(C)C(=O)CSCCOCCO 62a_100000753385_100011215305 [0,2,0,0,0,0|2,0,0]=4 17651 B12R0.251 CC(C)C(=O)CSCCOCCO 62a_100011215305_100000753385 [0,2,0,0,0,0|2,0,0]=4 17652 B12R0.251 CC(C)C(=O)NCCCCCC#N 11a_100000061152_100000210198 [0,2,0,0,0,0|1,0,1]=4 17653 B12R0.251 CC(C)C(=O)NCCCCCC#N 1626a_100000061152_100000210198 [0,2,0,0,0,0|1,0,1]=4 17654 B12R0.251 CC(C)C(=O)NCCCCCC#N 240690a_100000061152_100000210198 [0,2,0,0,0,0|1,0,1]=4 17655 B12R0.251 CC(C)C(=O)NCCCCCC#N 527a_100000061152_100000210198 [0,2,0,0,0,0|1,0,1]=4 17656 B12R0.251 CC(C)C(=O)NCCCCCCO 240690a_100000686447_100000210198 [0,2,0,0,0,0|1,0,0]=3 17657 B12R0.251 CC(C)C(=O)NCCCCCCO 527a_100000686447_100000210198 [0,2,0,0,0,0|1,0,0]=3 17658 B12R0.251 CC(C)C(=O)NCCNCCCF 2230a_100000752568_100011934791 [0,2,0,0,0,0|2,0,0]=4 17659 B12R0.251 CC(C)C(=O)NCCNCCCF 34a_100000752568_100011934791 [0,2,0,0,0,0|2,0,0]=4 17660 B12R0.251 CC(C)C(=O)NCCNCCCO 2230a_100000752568_100000230001 [0,2,0,0,0,0|2,0,0]=4 17661 B12R0.251 CC(C)C(=O)NCCNCCCO 34a_100000752568_100000230001 [0,2,0,0,0,0|2,0,0]=4 17662 B12R0.251 CC(C)C(=O)OCSCCCCF 62a_100000139345_100000729493 [0,2,0,0,0,0|2,0,0]=4 17663 B12R0.251 CC(C)C(=O)OCSCCCCF 62a_100000729493_100000139345 [0,2,0,0,0,0|2,0,0]=4 17664 B12R0.251 CC(C)C(=O)OCSCCCCO 62a_100000139345_100000210776 [0,2,0,0,0,0|2,0,0]=4 17665 B12R0.251 CC(C)C(=O)OCSCCCCO 62a_100000210776_100000139345 [0,2,0,0,0,0|2,0,0]=4 17666 B12R0.251 CC(C)N(C)CCCCCCCO 269982a_200000211004_100000760002 [0,2,0,0,0,0|2,0,0]=4 17667 B12R0.251 CC(F)C(=O)CCCCCCC#N 1458a_100000062450_100009813337 [0,2,0,0,0,0|0,0,1]=3 17668 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [0,2,0,0,0,0|0,0,0]=2 17669 B12R0.251 CC(F)C(=O)NCCCCCC#N 11a_100000061152_100000062450 [0,2,0,0,0,0|1,0,1]=4 17670 B12R0.251 CC(F)C(=O)NCCCCCC#N 1626a_100000061152_100000062450 [0,2,0,0,0,0|1,0,1]=4 17671 B12R0.251 CC(F)C(=O)NCCCCCC#N 240690a_100000061152_100000062450 [0,2,0,0,0,0|1,0,1]=4 17672 B12R0.251 CC(F)C(=O)NCCCCCC#N 527a_100000061152_100000062450 [0,2,0,0,0,0|1,0,1]=4 17673 B12R0.251 CC(F)C(=O)NCCCCCCO 240690a_100000686447_100000062450 [0,2,0,0,0,0|1,0,0]=3 17674 B12R0.251 CC(F)C(=O)NCCCCCCO 527a_100000686447_100000062450 [0,2,0,0,0,0|1,0,0]=3 17675 B12R0.251 CC/C=C\CCOCC(=O)C(C)C 34a_100016288707_100000753385 [0,2,0,0,0,0|0,0,2]=4 17676 B12R0.251 CC/C=C\CCOCC(=O)C(C)C 7a_100016288707_100000753385 [0,2,0,0,0,0|0,0,2]=4 17677 B12R0.251 CC/C=C\CCSCC(=O)C(C)C 62a_100000753385_100015370543 [0,2,0,0,0,0|0,0,2]=4 17678 B12R0.251 CC/C=C\CCSCC(=O)C(C)C 62a_100015370543_100000753385 [0,2,0,0,0,0|0,0,2]=4 17679 B12R0.251 CC=CCCCOCC(=O)C(C)C 34a_100020645299_100000753385 [0,2,0,0,0,0|0,0,2]=4 17680 B12R0.251 CCC#CCCOCC(=O)C(C)C 34a_100000036655_100000753385 [0,2,0,0,0,0|0,0,2]=4 17681 B12R0.251 CCC#CCCOCC(=O)C(C)C 7a_100000036655_100000753385 [0,2,0,0,0,0|0,0,2]=4 17682 B12R0.251 CCC/C=C/COCC(=O)C(C)C 34a_100016278788_100000753385 [0,2,0,0,0,0|0,0,2]=4 17683 B12R0.251 CCC/C=C/COCC(=O)C(C)C 7a_100016278788_100000753385 [0,2,0,0,0,0|0,0,2]=4 17684 B12R0.251 CCCC#CCOCC(=O)C(C)C 34a_100000034806_100000753385 [0,2,0,0,0,0|0,0,2]=4 17685 B12R0.251 CCCC#CCOCC(=O)C(C)C 7a_100000034806_100000753385 [0,2,0,0,0,0|0,0,2]=4 17686 B12R0.251 CCCCC/C=C/CC(=O)C(C)C 1458a_100020675968_100000210206 [0,2,0,0,0,0|0,0,1]=3 17687 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 11a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 17688 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 1626a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 17689 B12R0.251 CCCCC/C=C/CC(=O)N(C)C 240690a_100102631434_100020675968 [0,2,0,0,0,0|1,0,1]=4 17690 B12R0.251 CCCCCC#CCC(=O)C(C)C 1458a_100000210198_100009816472 [0,2,0,0,0,0|0,0,1]=3 17691 B12R0.251 CCCCCC#CCC(=O)C(C)F 1458a_100000062450_100009816472 [0,2,0,0,0,0|0,0,1]=3 17692 B12R0.251 CCCCCC#CCC(=O)C(O)O 1458a_100000233687_100009816472 [0,2,0,0,0,0|1,0,1]=4 17693 B12R0.251 CCCCCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009816472 [0,2,0,0,0,0|0,0,1]=3 17694 B12R0.251 CCCCCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009816472 [0,2,0,0,0,0|0,0,1]=3 17695 B12R0.251 CCCCCC=NNC(=O)C(C)C 4a_100000184118_100000737632 [0,2,0,0,0,0|1,0,1]=4 17696 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [0,2,0,0,0,0|0,0,1]=3 17697 B12R0.251 CCCCCCC=CC(=O)N(C)C 11a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 17698 B12R0.251 CCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 17699 B12R0.251 CCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 17700 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,2,0,0,0,0|0,0,0]=2 17701 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,2,0,0,0,0|0,0,0]=2 17702 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,2,0,0,0,0|0,0,0]=2 17703 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,2,0,0,0,0|1,0,0]=3 17704 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 17705 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 17706 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 17707 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 17708 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,2,0,0,0,0|0,0,0]=2 17709 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,2,0,0,0,0|0,0,0]=2 17710 B12R0.251 CCCCCCCCN(C)C(C)C 2230a_100000207567_100000210206 [0,2,0,0,0,0|2,0,0]=4 17711 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_100000207567_100000210206 [0,2,0,0,0,0|2,0,0]=4 17712 B12R0.251 CCCCCCCCN(C)C(C)C 269982a_200000211004_100000210759 [0,2,0,0,0,0|2,0,0]=4 17713 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,2,0,0,0,0|1,0,1]=4 17714 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,2,0,0,0,0|0,0,0]=2 17715 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,2,0,0,0,0|0,0,0]=2 17716 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,2,0,0,0,0|0,0,0]=2 17717 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,2,0,0,0,0|0,0,0]=2 17718 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,2,0,0,0,0|0,0,0]=2 17719 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,2,0,0,0,0|0,0,0]=2 17720 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,2,0,0,0,0|0,0,0]=2 17721 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,2,0,0,0,0|0,0,0]=2 17722 B12R0.251 CCCCCCCNC(=O)C(F)F 11a_100000229938_100000210393 [0,2,0,0,0,0|1,0,0]=3 17723 B12R0.251 CCCCCCCNC(=O)C(F)F 1626a_100000229938_100000210393 [0,2,0,0,0,0|1,0,0]=3 17724 B12R0.251 CCCCCCCNC(=O)C(F)F 240690a_100000229938_100000210393 [0,2,0,0,0,0|1,0,0]=3 17725 B12R0.251 CCCCCCCNC(=O)C(F)F 527a_100000229938_100000210393 [0,2,0,0,0,0|1,0,0]=3 17726 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,2,0,0,0,0|1,0,0]=3 17727 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [0,2,0,0,0,0|1,0,0]=3 17728 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,2,0,0,0,0|0,0,0]=2 17729 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,2,0,0,0,0|0,0,0]=2 17730 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,2,0,0,0,0|0,0,0]=2 17731 B12R0.251 CCCCCCCNC(C)C(C)C 2230a_100000211541_100000210681 [0,2,0,0,0,0|1,0,1]=4 17732 B12R0.251 CCCCCCCOC(C)C(C)C 7a_100000748068_100000210614 [0,2,0,0,0,0|1,0,1]=4 17733 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,2,0,0,0,0|0,0,0]=2 17734 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [0,2,0,0,0,0|1,0,0]=3 17735 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [0,2,0,0,0,0|1,0,0]=3 17736 B12R0.251 CCCCCCNCC(O)C(C)C 2230a_100000759067_100000210314 [0,2,0,0,0,0|0,0,2]=4 17737 B12R0.251 CCCCCCNCC(O)C(C)C 34a_100000759067_100000210314 [0,2,0,0,0,0|0,0,2]=4 17738 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,2,0,0,0,0|0,0,1]=3 17739 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,2,0,0,0,0|0,0,0]=2 17740 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,2,0,0,0,0|0,0,0]=2 17741 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [0,2,0,0,0,0|1,0,0]=3 17742 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [0,2,0,0,0,0|1,0,0]=3 17743 B12R0.251 CCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000210314 [0,2,0,0,0,0|1,0,1]=4 17744 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,2,0,0,0,0|0,0,1]=3 17745 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,2,0,0,0,0|0,0,1]=3 17746 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,2,0,0,0,0|0,0,0]=2 17747 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,2,0,0,0,0|0,0,0]=2 17748 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [0,2,0,0,0,0|1,0,0]=3 17749 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [0,2,0,0,0,0|1,0,0]=3 17750 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000209983_100000737620 [0,2,0,0,0,0|1,0,0]=3 17751 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210326 [0,2,0,0,0,0|1,0,0]=3 17752 B12R0.251 CCCCCOCCC(=O)N(C)C 34a_200000747469_100000718602 [0,2,0,0,0,0|1,0,0]=3 17753 B12R0.251 CCCCCOCCC(=O)N(C)C 7a_100000210253_100000737620 [0,2,0,0,0,0|1,0,0]=3 17754 B12R0.251 CCCCCOCCC(N)C(C)C 34a_100161115045_100000718602 [0,2,0,0,0,0|1,0,1]=4 17755 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000210326_100000737620 [0,2,0,0,0,0|1,0,0]=3 17756 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000737620_100000210326 [0,2,0,0,0,0|1,0,0]=3 17757 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000139345_100000210326 [0,2,0,0,0,0|1,0,0]=3 17758 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000210326_100000139345 [0,2,0,0,0,0|1,0,0]=3 17759 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_100000102301_100000737642 [0,2,0,0,0,0|1,0,0]=3 17760 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210211 [0,2,0,0,0,0|1,0,0]=3 17761 B12R0.251 CCCCNCCCC(=O)N(C)C 7a_106832991798_100000737642 [0,2,0,0,0,0|1,0,0]=3 17762 B12R0.251 CCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210211 [0,2,0,0,0,0|1,0,0]=3 17763 B12R0.251 CCCCNCCNC(=O)C(C)C 34a_100000752568_100000210210 [0,2,0,0,0,0|1,0,0]=3 17764 B12R0.251 CCCCOCCCC(=O)N(C)C 7a_100000210227_100000737642 [0,2,0,0,0,0|1,0,0]=3 17765 B12R0.251 CCCCOCNCC(=O)N(C)C 2230a_100015183351_100011995733 [0,2,0,0,0,0|2,0,0]=4 17766 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011261029_100011995733 [0,2,0,0,0,0|1,0,1]=4 17767 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011995733_100011261029 [0,2,0,0,0,0|1,0,1]=4 17768 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100000753385_100011995733 [0,2,0,0,0,0|1,0,0]=3 17769 B12R0.251 CCCCOCSCC(=O)C(C)C 62a_100011995733_100000753385 [0,2,0,0,0,0|1,0,0]=3 17770 B12R0.251 CCCCOCSCC(=O)N(C)C 62a_100000692301_100011995733 [0,2,0,0,0,0|2,0,0]=4 17771 B12R0.251 CCCCOCSCC(=O)N(C)C 62a_100011995733_100000692301 [0,2,0,0,0,0|2,0,0]=4 17772 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000210211_100000737642 [0,2,0,0,0,0|1,0,0]=3 17773 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000737642_100000210210 [0,2,0,0,0,0|1,0,0]=3 17774 B12R0.251 CCCCSCCNC(=O)C(C)C 11a_100025743550_100000210198 [0,2,0,0,0,0|1,0,0]=3 17775 B12R0.251 CCCCSCCNC(=O)C(C)C 1626a_100025743550_100000210198 [0,2,0,0,0,0|1,0,0]=3 17776 B12R0.251 CCCCSCCNC(=O)C(C)C 240690a_100025743550_100000210198 [0,2,0,0,0,0|1,0,0]=3 17777 B12R0.251 CCCCSCCNC(=O)C(C)C 527a_100025743550_100000210198 [0,2,0,0,0,0|1,0,0]=3 17778 B12R0.251 CCCCSCCNC(=O)C(C)F 11a_100025743550_100000062450 [0,2,0,0,0,0|1,0,0]=3 17779 B12R0.251 CCCCSCCNC(=O)C(C)F 1626a_100025743550_100000062450 [0,2,0,0,0,0|1,0,0]=3 17780 B12R0.251 CCCCSCCNC(=O)C(C)F 240690a_100025743550_100000062450 [0,2,0,0,0,0|1,0,0]=3 17781 B12R0.251 CCCCSCCNC(=O)C(C)F 527a_100025743550_100000062450 [0,2,0,0,0,0|1,0,0]=3 17782 B12R0.251 CCCCSCCNC(=O)C(F)F 11a_100025743550_100000210393 [0,2,0,0,0,0|2,0,0]=4 17783 B12R0.251 CCCCSCCNC(=O)C(F)F 1626a_100025743550_100000210393 [0,2,0,0,0,0|2,0,0]=4 17784 B12R0.251 CCCCSCCNC(=O)C(F)F 240690a_100025743550_100000210393 [0,2,0,0,0,0|2,0,0]=4 17785 B12R0.251 CCCCSCCNC(=O)C(F)F 527a_100025743550_100000210393 [0,2,0,0,0,0|2,0,0]=4 17786 B12R0.251 CCCCSCCNC(=O)C(O)O 240690a_100025743550_100000233687 [0,2,0,0,0,0|2,0,0]=4 17787 B12R0.251 CCCCSCCNC(=O)N(C)C 2708a_100025743550_100102631434 [0,2,0,0,0,0|2,0,0]=4 17788 B12R0.251 CCCCSCCNC(=O)[C@@H](C)O 240690a_100025743550_100000717761 [0,2,0,0,0,0|1,0,0]=3 17789 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 1626a_100025743550_217856618621 [0,2,0,0,0,0|1,0,0]=3 17790 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 240690a_100025743550_217856618621 [0,2,0,0,0,0|1,0,0]=3 17791 B12R0.251 CCCOCCCCC(=O)N(C)C 34a_100000210258_100000752486 [0,2,0,0,0,0|1,0,0]=3 17792 B12R0.251 CCCOCCCNC(=O)C(C)C 1626a_100011217757_100000210198 [0,2,0,0,0,0|1,0,0]=3 17793 B12R0.251 CCCOCCCNC(=O)C(C)C 240690a_100011217757_100000210198 [0,2,0,0,0,0|1,0,0]=3 17794 B12R0.251 CCCOCCCNC(=O)C(C)C 527a_100011217757_100000210198 [0,2,0,0,0,0|1,0,0]=3 17795 B12R0.251 CCCOCCCNC(=O)C(C)F 1626a_100011217757_100000062450 [0,2,0,0,0,0|1,0,0]=3 17796 B12R0.251 CCCOCCCNC(=O)C(C)F 240690a_100011217757_100000062450 [0,2,0,0,0,0|1,0,0]=3 17797 B12R0.251 CCCOCCCNC(=O)C(C)F 527a_100011217757_100000062450 [0,2,0,0,0,0|1,0,0]=3 17798 B12R0.251 CCCOCCCNC(=O)C(F)F 1626a_100011217757_100000210393 [0,2,0,0,0,0|2,0,0]=4 17799 B12R0.251 CCCOCCCNC(=O)C(F)F 240690a_100011217757_100000210393 [0,2,0,0,0,0|2,0,0]=4 17800 B12R0.251 CCCOCCCNC(=O)C(F)F 527a_100011217757_100000210393 [0,2,0,0,0,0|2,0,0]=4 17801 B12R0.251 CCCOCCCNC(=O)C(O)O 240690a_100011217757_100000233687 [0,2,0,0,0,0|2,0,0]=4 17802 B12R0.251 CCCOCCCNC(=O)N(C)C 2708a_100011217757_100102631434 [0,2,0,0,0,0|2,0,0]=4 17803 B12R0.251 CCCOCCCNC(=O)[C@@H](C)O 240690a_100011217757_100000717761 [0,2,0,0,0,0|1,0,0]=3 17804 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 1626a_100011217757_217856618621 [0,2,0,0,0,0|1,0,0]=3 17805 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 240690a_100011217757_217856618621 [0,2,0,0,0,0|1,0,0]=3 17806 B12R0.251 CCCOCCNCC(=O)C(=O)C 34a_100161115042_100011261029 [0,2,0,0,0,0|1,0,1]=4 17807 B12R0.251 CCCOCCNCC(=O)C(C)C 2230a_100161115042_100000753385 [0,2,0,0,0,0|1,0,0]=3 17808 B12R0.251 CCCOCCNCC(=O)C(C)C 34a_100161115042_100000753385 [0,2,0,0,0,0|1,0,0]=3 17809 B12R0.251 CCCOCCNCC(=O)N(C)C 2230a_100015183351_100011215938 [0,2,0,0,0,0|2,0,0]=4 17810 B12R0.251 CCCOCCNCC(=O)N(C)C 2230a_100161115042_100000185267 [0,2,0,0,0,0|2,0,0]=4 17811 B12R0.251 CCCOCCNCC(=O)N(C)C 34a_100161115042_100000692301 [0,2,0,0,0,0|2,0,0]=4 17812 B12R0.251 CCCOCCOCC(=O)C(=O)C 34a_100000752267_100011261029 [0,2,0,0,0,0|1,0,1]=4 17813 B12R0.251 CCCOCCOCC(=O)C(C)C 34a_100000752267_100000753385 [0,2,0,0,0,0|1,0,0]=3 17814 B12R0.251 CCCOCCOCC(=O)C(C)C 7a_100000752267_100000753385 [0,2,0,0,0,0|1,0,0]=3 17815 B12R0.251 CCCOCCOCC(=O)N(C)C 34a_100000752267_100000692301 [0,2,0,0,0,0|2,0,0]=4 17816 B12R0.251 CCCOCCOCC(=O)N(C)C 7a_100000752267_100000692301 [0,2,0,0,0,0|2,0,0]=4 17817 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011215938_100011261029 [0,2,0,0,0,0|1,0,1]=4 17818 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011261029_100011215938 [0,2,0,0,0,0|1,0,1]=4 17819 B12R0.251 CCCOCCSCC(=O)C(C)C 62a_100000753385_100011215938 [0,2,0,0,0,0|1,0,0]=3 17820 B12R0.251 CCCOCCSCC(=O)C(C)C 62a_100011215938_100000753385 [0,2,0,0,0,0|1,0,0]=3 17821 B12R0.251 CCCOCCSCC(=O)N(C)C 62a_100000692301_100011215938 [0,2,0,0,0,0|2,0,0]=4 17822 B12R0.251 CCCOCCSCC(=O)N(C)C 62a_100011215938_100000692301 [0,2,0,0,0,0|2,0,0]=4 17823 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000210303_100000752486 [0,2,0,0,0,0|1,0,0]=3 17824 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000752486_100000210303 [0,2,0,0,0,0|1,0,0]=3 17825 B12R0.251 CCCSCCNCC(=O)C(C)C 2230a_100020603323_100000753385 [0,2,0,0,0,0|1,0,0]=3 17826 B12R0.251 CCCSCCNCC(=O)N(C)C 2230a_100020603323_100000185267 [0,2,0,0,0,0|2,0,0]=4 17827 B12R0.251 CCCSCCOCC(=O)C(=O)C 34a_200000230433_100011261029 [0,2,0,0,0,0|1,0,1]=4 17828 B12R0.251 CCCSCCOCC(=O)C(C)C 34a_200000230433_100000753385 [0,2,0,0,0,0|1,0,0]=3 17829 B12R0.251 CCCSCCOCC(=O)C(C)C 7a_200000230433_100000753385 [0,2,0,0,0,0|1,0,0]=3 17830 B12R0.251 CCCSCCOCC(=O)N(C)C 34a_200000230433_100000692301 [0,2,0,0,0,0|2,0,0]=4 17831 B12R0.251 CCCSCCOCC(=O)N(C)C 7a_200000230433_100000692301 [0,2,0,0,0,0|2,0,0]=4 17832 B12R0.251 CCOCCCNCC(=O)C(=O)C 34a_100000210961_100011261029 [0,2,0,0,0,0|1,0,1]=4 17833 B12R0.251 CCOCCCNCC(=O)C(C)C 2230a_100000210961_100000753385 [0,2,0,0,0,0|1,0,0]=3 17834 B12R0.251 CCOCCCNCC(=O)C(C)C 34a_100000210961_100000753385 [0,2,0,0,0,0|1,0,0]=3 17835 B12R0.251 CCOCCCNCC(=O)N(C)C 2230a_100000210961_100000185267 [0,2,0,0,0,0|2,0,0]=4 17836 B12R0.251 CCOCCCNCC(=O)N(C)C 2230a_100015183351_100012232248 [0,2,0,0,0,0|2,0,0]=4 17837 B12R0.251 CCOCCCNCC(=O)N(C)C 34a_100000210961_100000692301 [0,2,0,0,0,0|2,0,0]=4 17838 B12R0.251 CCOCCCOCC(=O)C(=O)C 34a_100000757476_100011261029 [0,2,0,0,0,0|1,0,1]=4 17839 B12R0.251 CCOCCCOCC(=O)C(C)C 34a_100000757476_100000753385 [0,2,0,0,0,0|1,0,0]=3 17840 B12R0.251 CCOCCCOCC(=O)C(C)C 7a_100000757476_100000753385 [0,2,0,0,0,0|1,0,0]=3 17841 B12R0.251 CCOCCCOCC(=O)N(C)C 34a_100000757476_100000692301 [0,2,0,0,0,0|2,0,0]=4 17842 B12R0.251 CCOCCCOCC(=O)N(C)C 7a_100000757476_100000692301 [0,2,0,0,0,0|2,0,0]=4 17843 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100011261029_100012232248 [0,2,0,0,0,0|1,0,1]=4 17844 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100012232248_100011261029 [0,2,0,0,0,0|1,0,1]=4 17845 B12R0.251 CCOCCCSCC(=O)C(C)C 62a_100000753385_100012232248 [0,2,0,0,0,0|1,0,0]=3 17846 B12R0.251 CCOCCCSCC(=O)C(C)C 62a_100012232248_100000753385 [0,2,0,0,0,0|1,0,0]=3 17847 B12R0.251 CCOCCCSCC(=O)N(C)C 62a_100000692301_100012232248 [0,2,0,0,0,0|2,0,0]=4 17848 B12R0.251 CCOCCCSCC(=O)N(C)C 62a_100012232248_100000692301 [0,2,0,0,0,0|2,0,0]=4 17849 B12R0.251 CCOCCNCCC(=O)N(C)C 2230a_100000738053_100011215890 [0,2,0,0,0,0|2,0,0]=4 17850 B12R0.251 CCOCCNCCC(=O)N(C)C 2230a_102516460346_100000737620 [0,2,0,0,0,0|2,0,0]=4 17851 B12R0.251 CCOCCOCCC(=O)C(C)C 1458a_100000210198_100011211534 [0,2,0,0,0,0|1,0,0]=3 17852 B12R0.251 CCOCCOCCC(=O)C(C)F 1458a_100000062450_100011211534 [0,2,0,0,0,0|1,0,0]=3 17853 B12R0.251 CCOCCOCCC(=O)C(O)O 1458a_100000233687_100011211534 [0,2,0,0,0,0|2,0,0]=4 17854 B12R0.251 CCOCCOCCC(=O)N(C)C 34a_200000747469_100000210147 [0,2,0,0,0,0|2,0,0]=4 17855 B12R0.251 CCOCCOCCC(=O)N(C)C 7a_100000210136_100000737620 [0,2,0,0,0,0|2,0,0]=4 17856 B12R0.251 CCOCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011211534 [0,2,0,0,0,0|1,0,0]=3 17857 B12R0.251 CCOCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011211534 [0,2,0,0,0,0|1,0,0]=3 17858 B12R0.251 CCOCCSCCC(=O)N(C)C 62a_100000210147_100000737620 [0,2,0,0,0,0|2,0,0]=4 17859 B12R0.251 CCOCCSCCC(=O)N(C)C 62a_100000737620_100011215890 [0,2,0,0,0,0|2,0,0]=4 17860 B12R0.251 CCOCCSCOC(=O)C(C)C 62a_100000139345_100011215890 [0,2,0,0,0,0|2,0,0]=4 17861 B12R0.251 CCOCCSCOC(=O)C(C)C 62a_100000210147_100000139345 [0,2,0,0,0,0|2,0,0]=4 17862 B12R0.251 CCOCSCCCC(=O)N(C)C 62a_100000737642_100000739092 [0,2,0,0,0,0|2,0,0]=4 17863 B12R0.251 CCOCSCCCC(=O)N(C)C 62a_100000739092_100000737642 [0,2,0,0,0,0|2,0,0]=4 17864 B12R0.251 CCSCCCOCC(=O)C(=O)C 34a_100011216438_100011261029 [0,2,0,0,0,0|1,0,1]=4 17865 B12R0.251 CCSCCCOCC(=O)C(C)C 34a_100011216438_100000753385 [0,2,0,0,0,0|1,0,0]=3 17866 B12R0.251 CCSCCCOCC(=O)C(C)C 7a_100011216438_100000753385 [0,2,0,0,0,0|1,0,0]=3 17867 B12R0.251 CCSCCCOCC(=O)N(C)C 34a_100011216438_100000692301 [0,2,0,0,0,0|2,0,0]=4 17868 B12R0.251 CCSCCCOCC(=O)N(C)C 7a_100011216438_100000692301 [0,2,0,0,0,0|2,0,0]=4 17869 B12R0.251 CCSCCNCCC(=O)N(C)C 2230a_100000106463_100000737620 [0,2,0,0,0,0|2,0,0]=4 17870 B12R0.251 CCSCCNCCC(=O)N(C)C 2230a_100000738053_100000757381 [0,2,0,0,0,0|2,0,0]=4 17871 B12R0.251 CCSCCOCCC(=O)N(C)C 34a_200000747469_100000757381 [0,2,0,0,0,0|2,0,0]=4 17872 B12R0.251 CCSCCOCCC(=O)N(C)C 7a_100000212035_100000737620 [0,2,0,0,0,0|2,0,0]=4 17873 B12R0.251 CCSCCSCCC(=O)N(C)C 62a_100000737620_100000757381 [0,2,0,0,0,0|2,0,0]=4 17874 B12R0.251 CCSCCSCCC(=O)N(C)C 62a_100000757381_100000737620 [0,2,0,0,0,0|2,0,0]=4 17875 B12R0.251 CCSCCSCOC(=O)C(C)C 62a_100000139345_100000757381 [0,2,0,0,0,0|2,0,0]=4 17876 B12R0.251 CCSCCSCOC(=O)C(C)C 62a_100000757381_100000139345 [0,2,0,0,0,0|2,0,0]=4 17877 B12R0.251 CN(C)C(=O)CCCCCCCO 240690a_100102631434_100011219782 [0,2,0,0,0,0|1,0,0]=3 17878 B12R0.251 CN(C)C(=O)CCCCNCCF 34a_100000724931_100000752486 [0,2,0,0,0,0|2,0,0]=4 17879 B12R0.251 CN(C)C(=O)CCCCNCCO 34a_100016990907_100000752486 [0,2,0,0,0,0|2,0,0]=4 17880 B12R0.251 CN(C)C(=O)CCCCOCCBr 34a_100000211926_100000752486 [0,2,0,0,0,0|2,0,0]=4 17881 B12R0.251 CN(C)C(=O)CCCCOCCN 34a_100000210304_100000752486 [0,2,0,0,0,0|2,0,0]=4 17882 B12R0.251 CN(C)C(=O)CCCCSCCF 62a_100000752486_100011217306 [0,2,0,0,0,0|2,0,0]=4 17883 B12R0.251 CN(C)C(=O)CCCCSCCF 62a_100011217306_100000752486 [0,2,0,0,0,0|2,0,0]=4 17884 B12R0.251 CN(C)C(=O)CCCCSCCO 62a_100000211926_100000752486 [0,2,0,0,0,0|2,0,0]=4 17885 B12R0.251 CN(C)C(=O)CCCCSCCO 62a_100000752486_100000211926 [0,2,0,0,0,0|2,0,0]=4 17886 B12R0.251 CN(C)C(=O)CCCNCCCF 2230a_100015189416_100000737642 [0,2,0,0,0,0|2,0,0]=4 17887 B12R0.251 CN(C)C(=O)CCCNCCCF 2230a_200000744827_100011934791 [0,2,0,0,0,0|2,0,0]=4 17888 B12R0.251 CN(C)C(=O)CCCNCCCO 2230a_200000744827_100000230001 [0,2,0,0,0,0|2,0,0]=4 17889 B12R0.251 CN(C)C(=O)CCCSCCCF 62a_100000737642_100011934791 [0,2,0,0,0,0|2,0,0]=4 17890 B12R0.251 CN(C)C(=O)CCCSCCCF 62a_100011934791_100000737642 [0,2,0,0,0,0|2,0,0]=4 17891 B12R0.251 CN(C)C(=O)CCCSCCCO 62a_100000737642_100011215043 [0,2,0,0,0,0|2,0,0]=4 17892 B12R0.251 CN(C)C(=O)CCCSCCCO 62a_100011215043_100000737642 [0,2,0,0,0,0|2,0,0]=4 17893 B12R0.251 CN(C)C(=O)CCNCCCCF 2230a_100000738053_100000729493 [0,2,0,0,0,0|2,0,0]=4 17894 B12R0.251 CN(C)C(=O)CCNCCCCO 2230a_100000738053_100000210776 [0,2,0,0,0,0|2,0,0]=4 17895 B12R0.251 CN(C)C(=O)CCNCCCCO 2230a_100000750430_100000737620 [0,2,0,0,0,0|2,0,0]=4 17896 B12R0.251 CN(C)C(=O)CCOCCCCCl 7a_100000210776_100000737620 [0,2,0,0,0,0|2,0,0]=4 17897 B12R0.251 CN(C)C(=O)CCOCCCCF 34a_200000747469_100000729493 [0,2,0,0,0,0|2,0,0]=4 17898 B12R0.251 CN(C)C(=O)CCOCCCCF 7a_100011995726_100000737620 [0,2,0,0,0,0|2,0,0]=4 17899 B12R0.251 CN(C)C(=O)CCOCCCCO 34a_200000747469_100011216708 [0,2,0,0,0,0|2,0,0]=4 17900 B12R0.251 CN(C)C(=O)CCSCCCCF 62a_100000729493_100000737620 [0,2,0,0,0,0|2,0,0]=4 17901 B12R0.251 CN(C)C(=O)CCSCCCCF 62a_100000737620_100000729493 [0,2,0,0,0,0|2,0,0]=4 17902 B12R0.251 CN(C)C(=O)CCSCCCCO 62a_100000210776_100000737620 [0,2,0,0,0,0|2,0,0]=4 17903 B12R0.251 CN(C)C(=O)CCSCCCCO 62a_100000737620_100000210776 [0,2,0,0,0,0|2,0,0]=4 17904 B12R0.251 CN(C)C(=O)CNCCCCCF 2230a_100015183351_100000729378 [0,2,0,0,0,0|2,0,0]=4 17905 B12R0.251 CN(C)C(=O)CNCCCCCO 2230a_100000762737_100000185267 [0,2,0,0,0,0|2,0,0]=4 17906 B12R0.251 CN(C)C(=O)CNCCCCCO 2230a_100015183351_100000746330 [0,2,0,0,0,0|2,0,0]=4 17907 B12R0.251 CN(C)C(=O)CNCCCCCO 34a_100000762737_100000692301 [0,2,0,0,0,0|2,0,0]=4 17908 B12R0.251 CN(C)C(=O)COCCCCCBr 34a_100000746331_100000692301 [0,2,0,0,0,0|2,0,0]=4 17909 B12R0.251 CN(C)C(=O)COCCCCCBr 7a_100000746331_100000692301 [0,2,0,0,0,0|2,0,0]=4 17910 B12R0.251 CN(C)C(=O)COCCCCCCl 34a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 17911 B12R0.251 CN(C)C(=O)COCCCCCCl 7a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 17912 B12R0.251 CN(C)C(=O)COCCCCCI 34a_200012148887_100000692301 [0,2,0,0,0,0|2,0,0]=4 17913 B12R0.251 CN(C)C(=O)COCCCCCI 7a_200012148887_100000692301 [0,2,0,0,0,0|2,0,0]=4 17914 B12R0.251 CN(C)C(=O)COCCCCCN 34a_100000762737_100000692301 [0,2,0,0,0,0|2,0,0]=4 17915 B12R0.251 CN(C)C(=O)CSCCCCCF 62a_100000692301_100000729378 [0,2,0,0,0,0|2,0,0]=4 17916 B12R0.251 CN(C)C(=O)CSCCCCCF 62a_100000729378_100000692301 [0,2,0,0,0,0|2,0,0]=4 17917 B12R0.251 CN(C)C(=O)CSCCCCCO 62a_100000692301_100000746330 [0,2,0,0,0,0|2,0,0]=4 17918 B12R0.251 CN(C)C(=O)CSCCCCCO 62a_100000746330_100000692301 [0,2,0,0,0,0|2,0,0]=4 17919 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [0,2,0,0,0,0|0,0,0]=2 17920 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [0,2,0,0,0,0|0,0,0]=2 17921 B12R0.251 COCCCCCCC(=O)C(O)O 1458a_100000233687_100011998445 [0,2,0,0,0,0|1,0,0]=3 17922 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [0,2,0,0,0,0|0,0,0]=2 17923 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [0,2,0,0,0,0|0,0,0]=2 17924 B12R0.251 COCCCCCCN(C)C(C)C 269982a_200000211004_100011998445 [0,2,0,0,0,0|2,0,0]=4 17925 B12R0.251 COCCCCCNC(=O)C(C)C 11a_100000747528_100000210198 [0,2,0,0,0,0|1,0,0]=3 17926 B12R0.251 COCCCCCNC(=O)C(C)C 1626a_100000747528_100000210198 [0,2,0,0,0,0|1,0,0]=3 17927 B12R0.251 COCCCCCNC(=O)C(C)C 240690a_100000747528_100000210198 [0,2,0,0,0,0|1,0,0]=3 17928 B12R0.251 COCCCCCNC(=O)C(C)C 527a_100000747528_100000210198 [0,2,0,0,0,0|1,0,0]=3 17929 B12R0.251 COCCCCCNC(=O)C(C)F 11a_100000747528_100000062450 [0,2,0,0,0,0|1,0,0]=3 17930 B12R0.251 COCCCCCNC(=O)C(C)F 1626a_100000747528_100000062450 [0,2,0,0,0,0|1,0,0]=3 17931 B12R0.251 COCCCCCNC(=O)C(C)F 240690a_100000747528_100000062450 [0,2,0,0,0,0|1,0,0]=3 17932 B12R0.251 COCCCCCNC(=O)C(C)F 527a_100000747528_100000062450 [0,2,0,0,0,0|1,0,0]=3 17933 B12R0.251 COCCCCCNC(=O)C(F)F 11a_100000747528_100000210393 [0,2,0,0,0,0|2,0,0]=4 17934 B12R0.251 COCCCCCNC(=O)C(F)F 1626a_100000747528_100000210393 [0,2,0,0,0,0|2,0,0]=4 17935 B12R0.251 COCCCCCNC(=O)C(F)F 240690a_100000747528_100000210393 [0,2,0,0,0,0|2,0,0]=4 17936 B12R0.251 COCCCCCNC(=O)C(F)F 527a_100000747528_100000210393 [0,2,0,0,0,0|2,0,0]=4 17937 B12R0.251 COCCCCCNC(=O)C(O)O 240690a_100000747528_100000233687 [0,2,0,0,0,0|2,0,0]=4 17938 B12R0.251 COCCCCCNC(=O)N(C)C 2708a_100000747528_100102631434 [0,2,0,0,0,0|2,0,0]=4 17939 B12R0.251 COCCCCCNC(=O)[C@@H](C)O 240690a_100000747528_100000717761 [0,2,0,0,0,0|1,0,0]=3 17940 B12R0.251 COCCCCCNC(=O)[C@H](C)O 1626a_100000747528_217856618621 [0,2,0,0,0,0|1,0,0]=3 17941 B12R0.251 COCCCCCNC(=O)[C@H](C)O 240690a_100000747528_217856618621 [0,2,0,0,0,0|1,0,0]=3 17942 B12R0.251 COCCCCNCC(=O)N(C)C 2230a_100015183351_100000730899 [0,2,0,0,0,0|2,0,0]=4 17943 B12R0.251 COCCCCOCC(=O)C(=O)C 34a_100000740925_100011261029 [0,2,0,0,0,0|1,0,1]=4 17944 B12R0.251 COCCCCOCC(=O)C(C)C 34a_100000740925_100000753385 [0,2,0,0,0,0|1,0,0]=3 17945 B12R0.251 COCCCCOCC(=O)N(C)C 34a_100000740925_100000692301 [0,2,0,0,0,0|2,0,0]=4 17946 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100000730899_100011261029 [0,2,0,0,0,0|1,0,1]=4 17947 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100011261029_100000730899 [0,2,0,0,0,0|1,0,1]=4 17948 B12R0.251 COCCCCSCC(=O)C(C)C 62a_100000730899_100000753385 [0,2,0,0,0,0|1,0,0]=3 17949 B12R0.251 COCCCCSCC(=O)C(C)C 62a_100000753385_100000730899 [0,2,0,0,0,0|1,0,0]=3 17950 B12R0.251 COCCCCSCC(=O)N(C)C 62a_100000692301_100000730899 [0,2,0,0,0,0|2,0,0]=4 17951 B12R0.251 COCCCCSCC(=O)N(C)C 62a_100000730899_100000692301 [0,2,0,0,0,0|2,0,0]=4 17952 B12R0.251 COCCCNCCC(=O)N(C)C 2230a_100000738053_100000740836 [0,2,0,0,0,0|2,0,0]=4 17953 B12R0.251 COCCCOCCC(=O)N(C)C 34a_200000747469_100000740836 [0,2,0,0,0,0|2,0,0]=4 17954 B12R0.251 COCCCSCCC(=O)N(C)C 62a_100000709357_100000737620 [0,2,0,0,0,0|2,0,0]=4 17955 B12R0.251 COCCCSCCC(=O)N(C)C 62a_100000737620_100000709357 [0,2,0,0,0,0|2,0,0]=4 17956 B12R0.251 COCCCSCOC(=O)C(C)C 62a_100000139345_100000709357 [0,2,0,0,0,0|2,0,0]=4 17957 B12R0.251 COCCCSCOC(=O)C(C)C 62a_100000709357_100000139345 [0,2,0,0,0,0|2,0,0]=4 17958 B12R0.251 COCCNCCCC(=O)N(C)C 2230a_100000209980_100000737642 [0,2,0,0,0,0|2,0,0]=4 17959 B12R0.251 COCCNCCCC(=O)N(C)C 2230a_200000744827_100011201679 [0,2,0,0,0,0|2,0,0]=4 17960 B12R0.251 COCCNCCNC(=O)C(C)C 2230a_100000752568_100011201679 [0,2,0,0,0,0|2,0,0]=4 17961 B12R0.251 COCCNCCNC(=O)C(C)C 34a_100000752568_100011201679 [0,2,0,0,0,0|2,0,0]=4 17962 B12R0.251 COCCOCCCC(=O)C(C)C 1458a_100000210198_100011216529 [0,2,0,0,0,0|1,0,0]=3 17963 B12R0.251 COCCOCCCC(=O)C(C)F 1458a_100000062450_100011216529 [0,2,0,0,0,0|1,0,0]=3 17964 B12R0.251 COCCOCCCC(=O)C(O)O 1458a_100000233687_100011216529 [0,2,0,0,0,0|2,0,0]=4 17965 B12R0.251 COCCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216529 [0,2,0,0,0,0|1,0,0]=3 17966 B12R0.251 COCCOCCCC(=O)[C@H](C)O 1458a_217856618621_100011216529 [0,2,0,0,0,0|1,0,0]=3 17967 B12R0.251 COCCOCCNC(=O)C(C)C 11a_100000745349_100000210198 [0,2,0,0,0,0|2,0,0]=4 17968 B12R0.251 COCCOCCNC(=O)C(C)C 1626a_100000745349_100000210198 [0,2,0,0,0,0|2,0,0]=4 17969 B12R0.251 COCCOCCNC(=O)C(C)C 240690a_100000745349_100000210198 [0,2,0,0,0,0|2,0,0]=4 17970 B12R0.251 COCCOCCNC(=O)C(C)C 527a_100000745349_100000210198 [0,2,0,0,0,0|2,0,0]=4 17971 B12R0.251 COCCOCCNC(=O)C(C)F 11a_100000745349_100000062450 [0,2,0,0,0,0|2,0,0]=4 17972 B12R0.251 COCCOCCNC(=O)C(C)F 1626a_100000745349_100000062450 [0,2,0,0,0,0|2,0,0]=4 17973 B12R0.251 COCCOCCNC(=O)C(C)F 240690a_100000745349_100000062450 [0,2,0,0,0,0|2,0,0]=4 17974 B12R0.251 COCCOCCNC(=O)C(C)F 527a_100000745349_100000062450 [0,2,0,0,0,0|2,0,0]=4 17975 B12R0.251 COCCOCCNC(=O)[C@@H](C)O 240690a_100000745349_100000717761 [0,2,0,0,0,0|2,0,0]=4 17976 B12R0.251 COCCOCCNC(=O)[C@H](C)O 1626a_100000745349_217856618621 [0,2,0,0,0,0|2,0,0]=4 17977 B12R0.251 COCCOCCNC(=O)[C@H](C)O 240690a_100000745349_217856618621 [0,2,0,0,0,0|2,0,0]=4 17978 B12R0.251 COCCOCSCC(=O)C(C)C 62a_100000231047_100000753385 [0,2,0,0,0,0|2,0,0]=4 17979 B12R0.251 COCCOCSCC(=O)C(C)C 62a_100000753385_100000231047 [0,2,0,0,0,0|2,0,0]=4 17980 B12R0.251 COCCSCCCC(=O)N(C)C 62a_100000233755_100000737642 [0,2,0,0,0,0|2,0,0]=4 17981 B12R0.251 COCCSCCCC(=O)N(C)C 62a_100000737642_100000233755 [0,2,0,0,0,0|2,0,0]=4 17982 B12R0.251 COCSCCCCC(=O)N(C)C 62a_100000752486_100000766300 [0,2,0,0,0,0|2,0,0]=4 17983 B12R0.251 COCSCCCCC(=O)N(C)C 62a_100000766300_100000752486 [0,2,0,0,0,0|2,0,0]=4 17984 B12R0.251 CSCCCCOCC(=O)C(=O)C 34a_100011217163_100011261029 [0,2,0,0,0,0|1,0,1]=4 17985 B12R0.251 CSCCCCOCC(=O)C(C)C 34a_100011217163_100000753385 [0,2,0,0,0,0|1,0,0]=3 17986 B12R0.251 CSCCCCOCC(=O)C(C)C 7a_100011217163_100000753385 [0,2,0,0,0,0|1,0,0]=3 17987 B12R0.251 CSCCCCOCC(=O)N(C)C 34a_100011217163_100000692301 [0,2,0,0,0,0|2,0,0]=4 17988 B12R0.251 CSCCCCOCC(=O)N(C)C 7a_100011217163_100000692301 [0,2,0,0,0,0|2,0,0]=4 17989 B12R0.251 CSCCCNCCC(=O)N(C)C 2230a_100000749238_100000737620 [0,2,0,0,0,0|2,0,0]=4 17990 B12R0.251 CSCCCOCCC(=O)N(C)C 7a_100000690336_100000737620 [0,2,0,0,0,0|2,0,0]=4 17991 B12R0.251 CSCCNCCCC(=O)N(C)C 2230a_100020590264_100000737642 [0,2,0,0,0,0|2,0,0]=4 17992 B12R0.251 CSCCNCCCC(=O)N(C)C 2230a_200000744827_100000751147 [0,2,0,0,0,0|2,0,0]=4 17993 B12R0.251 CSCCNCCNC(=O)C(C)C 2230a_100000752568_100000751147 [0,2,0,0,0,0|2,0,0]=4 17994 B12R0.251 CSCCNCCNC(=O)C(C)C 34a_100000752568_100000212216 [0,2,0,0,0,0|2,0,0]=4 17995 B12R0.251 CSCCOCCCC(=O)N(C)C 7a_100000230434_100000737642 [0,2,0,0,0,0|2,0,0]=4 17996 B12R0.251 CSCCSCCCC(=O)N(C)C 62a_100000212216_100000737642 [0,2,0,0,0,0|2,0,0]=4 17997 B12R0.251 CSCCSCCCC(=O)N(C)C 62a_100000737642_100000751147 [0,2,0,0,0,0|2,0,0]=4 17998 B12R0.251 CSCSCCCCC(=O)N(C)C 62a_100000752486_100011218213 [0,2,0,0,0,0|2,0,0]=4 17999 B12R0.251 CSCSCCCCC(=O)N(C)C 62a_100011218213_100000752486 [0,2,0,0,0,0|2,0,0]=4 18000 B12R0.251 C[C@@H](O)C(=O)CCCCCCC#N 1458a_100000717761_100009813337 [0,2,0,0,0,0|0,0,1]=3 18001 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [0,2,0,0,0,0|0,0,0]=2 18002 B12R0.251 C[C@@H](O)C(=O)NCCCCCC#N 240690a_100000061152_100000717761 [0,2,0,0,0,0|1,0,1]=4 18003 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [0,2,0,0,0,0|1,0,0]=3 18004 B12R0.251 C[C@H](O)C(=O)CCCCCCC#N 1458a_217856618621_100009813337 [0,2,0,0,0,0|0,0,1]=3 18005 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [0,2,0,0,0,0|0,0,0]=2 18006 B12R0.251 C[C@H](O)C(=O)NCCCCCC#N 1626a_100000061152_217856618621 [0,2,0,0,0,0|1,0,1]=4 18007 B12R0.251 C[C@H](O)C(=O)NCCCCCC#N 240690a_100000061152_217856618621 [0,2,0,0,0,0|1,0,1]=4 18008 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [0,2,0,0,0,0|1,0,0]=3 18009 B12R0.251 N#CCCCCCCC(=O)C(O)O 1458a_100000233687_100009813337 [0,2,0,0,0,0|1,0,1]=4 18010 B12R0.251 O=C(CCCCCCCO)C(O)O 1458a_100000233687_100000760002 [0,2,0,0,0,0|1,0,0]=3 18011 B12R0.251 O=C(NCCCCCCO)C(F)F 240690a_100000686447_100000210393 [0,2,0,0,0,0|2,0,0]=4 18012 B12R0.251 O=C(NCCCCCCO)C(F)F 527a_100000686447_100000210393 [0,2,0,0,0,0|2,0,0]=4 18013 B12R0.251 O=C(NCCCCCCO)C(O)O 240690a_100000686447_100000233687 [0,2,0,0,0,0|2,0,0]=4 18014 B12R0.312 CCCCCCCCS(=O)(=O)NC 270084a_100102657272_100011218563 [0,2,0,0,0,0|2,0,0]=4 18015 B12R0.312 CCCCCCCCS(=O)(=O)NC 274078a_100102657272_100011218563 [0,2,0,0,0,0|2,0,0]=4 18016 B12R0.312 CCCCCCCNC(C)(C)CC 2230a_100000211385_100000210681 [0,2,0,0,0,0|1,0,1]=4 18017 B12R0.312 CCCCCCCNS(=O)(=O)CC 270084a_100000229938_100000211323 [0,2,0,0,0,0|1,0,0]=3 18018 B12R0.312 CCCCCCCNS(=O)(=O)CC 274078a_100000229938_100000211323 [0,2,0,0,0,0|1,0,0]=3 18019 B12R0.312 CCCCCCCNS(=O)(=O)CC 40a_100000229938_100000053943 [0,2,0,0,0,0|1,0,0]=3 18020 B12R0.312 CCCCCCCNS(=O)(=O)CCl 270084a_100000229938_100000031410 [0,2,0,0,0,0|2,0,0]=4 18021 B12R0.312 CCCCCCCNS(=O)(=O)CCl 274078a_100000229938_100000031410 [0,2,0,0,0,0|2,0,0]=4 18022 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210230_100000210614 [0,2,0,0,0,0|1,0,1]=4 18023 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210272_100000210677 [0,2,0,0,0,0|1,0,1]=4 18024 B12R0.312 CCCCCCCSC(C)(C)CC 62a_100000032637_100000210316 [0,2,0,0,0,0|1,0,1]=4 18025 B12R0.312 CCCCCCCSC(C)(C)CC 62a_100000210614_100000032637 [0,2,0,0,0,0|1,0,1]=4 18026 B12R0.312 CCCCCCOCC(C)(C)CC 7a_100000765029_100000210314 [0,2,0,0,0,0|1,0,1]=4 18027 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000209983_100000756660 [0,2,0,0,0,0|1,0,0]=3 18028 B12R0.312 CCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210326 [0,2,0,0,0,0|1,0,0]=3 18029 B12R0.312 CCCCCNCCS(=O)(=O)CC 34a_100000751051_100000718602 [0,2,0,0,0,0|1,0,0]=3 18030 B12R0.312 CCCCCNCCS(=O)(=O)NC 2230a_100000710037_100000210326 [0,2,0,0,0,0|2,0,0]=4 18031 B12R0.312 CCCCCNCCS(=O)(=O)NC 34a_100000710037_100000718602 [0,2,0,0,0,0|2,0,0]=4 18032 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_100000210253_100000756660 [0,2,0,0,0,0|1,0,0]=3 18033 B12R0.312 CCCCCOCCS(=O)(=O)CC 34a_200011216379_100000718602 [0,2,0,0,0,0|1,0,0]=3 18034 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_100000210253_100000756660 [0,2,0,0,0,0|1,0,0]=3 18035 B12R0.312 CCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210326 [0,2,0,0,0,0|1,0,0]=3 18036 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000210326_100000756660 [0,2,0,0,0,0|1,0,0]=3 18037 B12R0.312 CCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210326 [0,2,0,0,0,0|1,0,0]=3 18038 B12R0.312 CCCCSCCNS(=O)(=O)CC 270084a_100025743550_100000211323 [0,2,0,0,0,0|2,0,0]=4 18039 B12R0.312 CCCCSCCNS(=O)(=O)CC 274078a_100025743550_100000211323 [0,2,0,0,0,0|2,0,0]=4 18040 B12R0.312 CCCCSCCNS(=O)(=O)CC 40a_100025743550_100000053943 [0,2,0,0,0,0|2,0,0]=4 18041 B12R0.312 CCCOCCCNS(=O)(=O)CC 270084a_100011217757_100000211323 [0,2,0,0,0,0|2,0,0]=4 18042 B12R0.312 CCCOCCCNS(=O)(=O)CC 274078a_100011217757_100000211323 [0,2,0,0,0,0|2,0,0]=4 18043 B12R0.312 CCCOCCCNS(=O)(=O)CC 40a_100011217757_100000053943 [0,2,0,0,0,0|2,0,0]=4 18044 B12R0.312 CCOCCNCCS(=O)(=O)CC 2230a_100000751051_100011215890 [0,2,0,0,0,0|2,0,0]=4 18045 B12R0.312 CCOCCNCCS(=O)(=O)CC 2230a_102516460346_100000756660 [0,2,0,0,0,0|2,0,0]=4 18046 B12R0.312 CCOCCNCCS(=O)(=O)CC 34a_100000751051_100000210147 [0,2,0,0,0,0|2,0,0]=4 18047 B12R0.312 CCOCCNCCS(=O)(=O)CC 34a_102516460346_100000756660 [0,2,0,0,0,0|2,0,0]=4 18048 B12R0.312 CCOCCOCCS(=O)(=O)CC 34a_100000210136_100000756660 [0,2,0,0,0,0|2,0,0]=4 18049 B12R0.312 CCOCCOCCS(=O)(=O)CC 34a_200011216379_100000210147 [0,2,0,0,0,0|2,0,0]=4 18050 B12R0.312 CCOCCOCCS(=O)(=O)CC 7a_100000210136_100000756660 [0,2,0,0,0,0|2,0,0]=4 18051 B12R0.312 CCOCCOCCS(=O)(=O)CC 7a_200011216379_100011215890 [0,2,0,0,0,0|2,0,0]=4 18052 B12R0.312 CCOCCSCCS(=O)(=O)CC 62a_100000210147_100000756660 [0,2,0,0,0,0|2,0,0]=4 18053 B12R0.312 CCOCCSCCS(=O)(=O)CC 62a_100000756660_100011215890 [0,2,0,0,0,0|2,0,0]=4 18054 B12R0.312 CCS(=O)(=O)CCNCCCCF 2230a_100000751051_100000729493 [0,2,0,0,0,0|2,0,0]=4 18055 B12R0.312 CCS(=O)(=O)CCNCCCCF 34a_100000751051_100000729493 [0,2,0,0,0,0|2,0,0]=4 18056 B12R0.312 CCS(=O)(=O)CCNCCCCO 2230a_100000750430_100000756660 [0,2,0,0,0,0|2,0,0]=4 18057 B12R0.312 CCS(=O)(=O)CCNCCCCO 2230a_100000751051_100000210776 [0,2,0,0,0,0|2,0,0]=4 18058 B12R0.312 CCS(=O)(=O)CCNCCCCO 34a_100000750430_100000756660 [0,2,0,0,0,0|2,0,0]=4 18059 B12R0.312 CCS(=O)(=O)CCNCCCCO 34a_100000751051_100011216708 [0,2,0,0,0,0|2,0,0]=4 18060 B12R0.312 CCS(=O)(=O)CCNCCCOC 2230a_100000751051_100000740836 [0,2,0,0,0,0|2,0,0]=4 18061 B12R0.312 CCS(=O)(=O)CCNCCCOC 34a_100000751051_100000740836 [0,2,0,0,0,0|2,0,0]=4 18062 B12R0.312 CCS(=O)(=O)CCNCCCOC 34a_100150723488_100000756660 [0,2,0,0,0,0|2,0,0]=4 18063 B12R0.312 CCS(=O)(=O)CCNCCCSC 2230a_100000749238_100000756660 [0,2,0,0,0,0|2,0,0]=4 18064 B12R0.312 CCS(=O)(=O)CCOCCCCBr 34a_100011216708_100000756660 [0,2,0,0,0,0|2,0,0]=4 18065 B12R0.312 CCS(=O)(=O)CCOCCCCCl 34a_100000210776_100000756660 [0,2,0,0,0,0|2,0,0]=4 18066 B12R0.312 CCS(=O)(=O)CCOCCCCCl 7a_100000210776_100000756660 [0,2,0,0,0,0|2,0,0]=4 18067 B12R0.312 CCS(=O)(=O)CCOCCCCF 34a_100011995726_100000756660 [0,2,0,0,0,0|2,0,0]=4 18068 B12R0.312 CCS(=O)(=O)CCOCCCCF 34a_200011216379_100000729493 [0,2,0,0,0,0|2,0,0]=4 18069 B12R0.312 CCS(=O)(=O)CCOCCCCF 7a_100011995726_100000756660 [0,2,0,0,0,0|2,0,0]=4 18070 B12R0.312 CCS(=O)(=O)CCOCCCCF 7a_200011216379_100000729493 [0,2,0,0,0,0|2,0,0]=4 18071 B12R0.312 CCS(=O)(=O)CCOCCCCI 34a_200012148704_100000756660 [0,2,0,0,0,0|2,0,0]=4 18072 B12R0.312 CCS(=O)(=O)CCOCCCCN 34a_100000750430_100000756660 [0,2,0,0,0,0|2,0,0]=4 18073 B12R0.312 CCS(=O)(=O)CCOCCCCO 34a_200011216379_100011216708 [0,2,0,0,0,0|2,0,0]=4 18074 B12R0.312 CCS(=O)(=O)CCOCCCCO 7a_200011216379_100000210776 [0,2,0,0,0,0|2,0,0]=4 18075 B12R0.312 CCS(=O)(=O)CCOCCCNC 34a_100000213112_100000756660 [0,2,0,0,0,0|2,0,0]=4 18076 B12R0.312 CCS(=O)(=O)CCOCCCOC 34a_100000740835_100000756660 [0,2,0,0,0,0|2,0,0]=4 18077 B12R0.312 CCS(=O)(=O)CCOCCCOC 34a_200011216379_100000740836 [0,2,0,0,0,0|2,0,0]=4 18078 B12R0.312 CCS(=O)(=O)CCOCCCOC 7a_200011216379_100000740836 [0,2,0,0,0,0|2,0,0]=4 18079 B12R0.312 CCS(=O)(=O)CCOCCCSC 34a_100000690336_100000756660 [0,2,0,0,0,0|2,0,0]=4 18080 B12R0.312 CCS(=O)(=O)CCOCCCSC 7a_100000690336_100000756660 [0,2,0,0,0,0|2,0,0]=4 18081 B12R0.312 CCS(=O)(=O)CCSCCCCF 62a_100000729493_100000756660 [0,2,0,0,0,0|2,0,0]=4 18082 B12R0.312 CCS(=O)(=O)CCSCCCCF 62a_100000756660_100000729493 [0,2,0,0,0,0|2,0,0]=4 18083 B12R0.312 CCS(=O)(=O)CCSCCCCO 62a_100000210776_100000756660 [0,2,0,0,0,0|2,0,0]=4 18084 B12R0.312 CCS(=O)(=O)CCSCCCCO 62a_100000756660_100000210776 [0,2,0,0,0,0|2,0,0]=4 18085 B12R0.312 CCS(=O)(=O)CCSCCCOC 62a_100000709357_100000756660 [0,2,0,0,0,0|2,0,0]=4 18086 B12R0.312 CCS(=O)(=O)CCSCCCOC 62a_100000756660_100000709357 [0,2,0,0,0,0|2,0,0]=4 18087 B12R0.312 CCS(=O)(=O)NCCCCCCO 270084a_100000686447_100000211323 [0,2,0,0,0,0|2,0,0]=4 18088 B12R0.312 CCS(=O)(=O)NCCCCCCO 274078a_100000686447_100000211323 [0,2,0,0,0,0|2,0,0]=4 18089 B12R0.312 CCS(=O)(=O)NCCCCCCO 40a_100000686447_100000053943 [0,2,0,0,0,0|2,0,0]=4 18090 B12R0.312 CCS(=O)(=O)NCCCCCOC 270084a_100000747528_100000211323 [0,2,0,0,0,0|2,0,0]=4 18091 B12R0.312 CCS(=O)(=O)NCCCCCOC 274078a_100000747528_100000211323 [0,2,0,0,0,0|2,0,0]=4 18092 B12R0.312 CCS(=O)(=O)NCCCCCOC 40a_100000747528_100000053943 [0,2,0,0,0,0|2,0,0]=4 18093 B12R0.312 CCSCCNCCS(=O)(=O)CC 2230a_100000106463_100000756660 [0,2,0,0,0,0|2,0,0]=4 18094 B12R0.312 CCSCCNCCS(=O)(=O)CC 2230a_100000751051_100000757381 [0,2,0,0,0,0|2,0,0]=4 18095 B12R0.312 CCSCCNCCS(=O)(=O)CC 34a_100000751051_100000757381 [0,2,0,0,0,0|2,0,0]=4 18096 B12R0.312 CCSCCOCCS(=O)(=O)CC 34a_100000212035_100000756660 [0,2,0,0,0,0|2,0,0]=4 18097 B12R0.312 CCSCCOCCS(=O)(=O)CC 34a_200011216379_100000757381 [0,2,0,0,0,0|2,0,0]=4 18098 B12R0.312 CCSCCOCCS(=O)(=O)CC 7a_100000212035_100000756660 [0,2,0,0,0,0|2,0,0]=4 18099 B12R0.312 CCSCCOCCS(=O)(=O)CC 7a_200011216379_100000757381 [0,2,0,0,0,0|2,0,0]=4 18100 B12R0.312 CCSCCSCCS(=O)(=O)CC 62a_100000756660_100000757381 [0,2,0,0,0,0|2,0,0]=4 18101 B12R0.312 CCSCCSCCS(=O)(=O)CC 62a_100000757381_100000756660 [0,2,0,0,0,0|2,0,0]=4 18102 B12R0.42 C=C(C)C(=O)CCCCCC(C)C 1458a_100000185857_100000210682 [0,2,0,0,0,0|0,0,1]=3 18103 B12R0.42 CC(=O)C(=O)CNCCCC(C)C 34a_200000737386_100011261029 [0,2,0,0,0,0|1,0,1]=4 18104 B12R0.42 CC(=O)C(=O)COCCCC(C)C 34a_100000210774_100011261029 [0,2,0,0,0,0|1,0,1]=4 18105 B12R0.42 CC(=O)C(=O)CSCCCC(C)C 62a_100011214892_100011261029 [0,2,0,0,0,0|1,0,1]=4 18106 B12R0.42 CC(=O)C(=O)CSCCCC(C)C 62a_100011261029_100011214892 [0,2,0,0,0,0|1,0,1]=4 18107 B12R0.42 CC(=O)C(=O)CSCCCC(C)O 62a_100011261029_200000718107 [0,2,0,0,0,0|1,0,1]=4 18108 B12R0.42 CC(=O)C(=O)CSCCCC(C)O 62a_200000718107_100011261029 [0,2,0,0,0,0|1,0,1]=4 18109 B12R0.42 CC(=O)CCCOCC(=O)C(C)C 34a_100000759063_100000753385 [0,2,0,0,0,0|1,0,1]=4 18110 B12R0.42 CC(=O)CCCOCC(=O)C(C)C 7a_100000759063_100000753385 [0,2,0,0,0,0|1,0,1]=4 18111 B12R0.42 CC(=O)CCCSCC(=O)C(C)C 62a_100000753385_100011215641 [0,2,0,0,0,0|1,0,1]=4 18112 B12R0.42 CC(=O)CCCSCC(=O)C(C)C 62a_100011215641_100000753385 [0,2,0,0,0,0|1,0,1]=4 18113 B12R0.42 CC(=O)OCCCCC(=O)C(C)C 1458a_100000210198_100000033659 [0,2,0,0,0,0|1,0,1]=4 18114 B12R0.42 CC(=O)OCCCCC(=O)C(C)F 1458a_100000062450_100000033659 [0,2,0,0,0,0|1,0,1]=4 18115 B12R0.42 CC(=O)OCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000033659 [0,2,0,0,0,0|1,0,1]=4 18116 B12R0.42 CC(=O)OCCCCC(=O)[C@H](C)O 1458a_217856618621_100000033659 [0,2,0,0,0,0|1,0,1]=4 18117 B12R0.42 CC(=O)SCCCCC(=O)C(C)C 1458a_100000210198_200010402107 [0,2,0,0,0,0|1,0,1]=4 18118 B12R0.42 CC(=O)SCCCCC(=O)C(C)F 1458a_100000062450_200010402107 [0,2,0,0,0,0|1,0,1]=4 18119 B12R0.42 CC(=O)SCCCCC(=O)[C@@H](C)O 1458a_100000717761_200010402107 [0,2,0,0,0,0|1,0,1]=4 18120 B12R0.42 CC(=O)SCCCCC(=O)[C@H](C)O 1458a_217856618621_200010402107 [0,2,0,0,0,0|1,0,1]=4 18121 B12R0.42 CC(C)C(=O)CCCCCB(O)O 1458a_100000210198_200009817188 [0,2,0,0,0,0|2,0,0]=4 18122 B12R0.42 CC(C)C(=O)CCCCCC(=O)N 1458a_100000210198_100009817443 [0,2,0,0,0,0|1,0,1]=4 18123 B12R0.42 CC(C)C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210206 [0,2,0,0,0,0|2,0,0]=4 18124 B12R0.42 CC(C)C(=O)CNCCCS(=O)C 2230a_200000753449_100000753385 [0,2,0,0,0,0|2,0,0]=4 18125 B12R0.42 CC(C)C(=O)CSCCCN(C)C 62a_100000753385_100000757444 [0,2,0,0,0,0|2,0,0]=4 18126 B12R0.42 CC(C)C(=O)NCCCCN(C)C 240690a_100025707445_100000210198 [0,2,0,0,0,0|2,0,0]=4 18127 B12R0.42 CC(C)C(=O)NCCNC[C@@H](C)O 2230a_100000752568_100009817552 [0,2,0,0,0,0|2,0,0]=4 18128 B12R0.42 CC(C)C(=O)NCCNC[C@@H](C)O 34a_100000752568_100009817552 [0,2,0,0,0,0|2,0,0]=4 18129 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000210198_100000210682 [0,2,0,0,0,0|0,0,0]=2 18130 B12R0.42 CC(C)CCCCCC(=O)C(C)C 1458a_100000766313_100000210206 [0,2,0,0,0,0|0,0,0]=2 18131 B12R0.42 CC(C)CCCCCC(=O)C(C)F 1458a_100000062450_100000210682 [0,2,0,0,0,0|0,0,0]=2 18132 B12R0.42 CC(C)CCCCCC(=O)C(O)O 1458a_100000233687_100000210682 [0,2,0,0,0,0|1,0,0]=3 18133 B12R0.42 CC(C)CCCCCC(=O)N(C)C 11a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 18134 B12R0.42 CC(C)CCCCCC(=O)N(C)C 1626a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 18135 B12R0.42 CC(C)CCCCCC(=O)N(C)C 240690a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 18136 B12R0.42 CC(C)CCCCCC(=O)N(C)C 527a_100102631434_100000766313 [0,2,0,0,0,0|1,0,0]=3 18137 B12R0.42 CC(C)CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210682 [0,2,0,0,0,0|0,0,0]=2 18138 B12R0.42 CC(C)CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210682 [0,2,0,0,0,0|0,0,0]=2 18139 B12R0.42 CC(C)CCCCCN(C)C(C)C 269982a_200000211004_100000210682 [0,2,0,0,0,0|2,0,0]=4 18140 B12R0.42 CC(C)CCCNCC(=O)C(C)C 2230a_200000737386_100000753385 [0,2,0,0,0,0|1,0,0]=3 18141 B12R0.42 CC(C)CCCNCC(=O)C(C)C 34a_200000737386_100000753385 [0,2,0,0,0,0|1,0,0]=3 18142 B12R0.42 CC(C)CCCNCC(=O)N(C)C 2230a_100015183351_100011214892 [0,2,0,0,0,0|2,0,0]=4 18143 B12R0.42 CC(C)CCCNCC(=O)N(C)C 2230a_200000737386_100000185267 [0,2,0,0,0,0|2,0,0]=4 18144 B12R0.42 CC(C)CCCNCC(=O)N(C)C 34a_200000737386_100000692301 [0,2,0,0,0,0|2,0,0]=4 18145 B12R0.42 CC(C)CCCOCC(=O)C(C)C 34a_100000210774_100000753385 [0,2,0,0,0,0|1,0,0]=3 18146 B12R0.42 CC(C)CCCOCC(=O)C(C)C 7a_100000210774_100000753385 [0,2,0,0,0,0|1,0,0]=3 18147 B12R0.42 CC(C)CCCOCC(=O)N(C)C 34a_100000210774_100000692301 [0,2,0,0,0,0|2,0,0]=4 18148 B12R0.42 CC(C)CCCOCC(=O)N(C)C 7a_100000210774_100000692301 [0,2,0,0,0,0|2,0,0]=4 18149 B12R0.42 CC(C)CCCSCC(=O)C(C)C 62a_100000753385_100011214892 [0,2,0,0,0,0|1,0,0]=3 18150 B12R0.42 CC(C)CCCSCC(=O)C(C)C 62a_100011214892_100000753385 [0,2,0,0,0,0|1,0,0]=3 18151 B12R0.42 CC(C)CCCSCC(=O)N(C)C 62a_100000692301_100011214892 [0,2,0,0,0,0|2,0,0]=4 18152 B12R0.42 CC(C)CCCSCC(=O)N(C)C 62a_100011214892_100000692301 [0,2,0,0,0,0|2,0,0]=4 18153 B12R0.42 CC(C)CCNCCC(=O)N(C)C 2230a_100000738053_100000210312 [0,2,0,0,0,0|2,0,0]=4 18154 B12R0.42 CC(C)CCNCCC(=O)N(C)C 269862a_100000738053_100000185833 [0,2,0,0,0,0|2,0,0]=4 18155 B12R0.42 CC(C)CCOCCC(=O)N(C)C 34a_200000747469_100000210312 [0,2,0,0,0,0|2,0,0]=4 18156 B12R0.42 CC(C)CCOCCC(=O)N(C)C 7a_100000210254_100000737620 [0,2,0,0,0,0|2,0,0]=4 18157 B12R0.42 CC(C)CCSCCC(=O)N(C)C 62a_100000210312_100000737620 [0,2,0,0,0,0|2,0,0]=4 18158 B12R0.42 CC(C)CCSCCC(=O)N(C)C 62a_100000737620_100000210312 [0,2,0,0,0,0|2,0,0]=4 18159 B12R0.42 CC(C)CCSCOC(=O)C(C)C 62a_100000139345_100000210312 [0,2,0,0,0,0|2,0,0]=4 18160 B12R0.42 CC(C)CCSCOC(=O)C(C)C 62a_100000210312_100000139345 [0,2,0,0,0,0|2,0,0]=4 18161 B12R0.42 CC(C)CNCCCC(=O)N(C)C 2230a_100000210953_100000737642 [0,2,0,0,0,0|2,0,0]=4 18162 B12R0.42 CC(C)CNCCCC(=O)N(C)C 2230a_200000744827_100000210760 [0,2,0,0,0,0|2,0,0]=4 18163 B12R0.42 CC(C)CNCCCC(=O)N(C)C 270004a_200000744827_100000210432 [0,2,0,0,0,0|2,0,0]=4 18164 B12R0.42 CC(C)CNCCNC(=O)C(C)C 2230a_100000752568_100000210760 [0,2,0,0,0,0|2,0,0]=4 18165 B12R0.42 CC(C)CNCCNC(=O)C(C)C 270004a_100000752568_100000210432 [0,2,0,0,0,0|2,0,0]=4 18166 B12R0.42 CC(C)CNCCNC(=O)C(C)C 34a_100000752568_100000210624 [0,2,0,0,0,0|2,0,0]=4 18167 B12R0.42 CC(C)CSCCCC(=O)N(C)C 62a_100000210624_100000737642 [0,2,0,0,0,0|2,0,0]=4 18168 B12R0.42 CC(C)CSCCCC(=O)N(C)C 62a_100000737642_100000210760 [0,2,0,0,0,0|2,0,0]=4 18169 B12R0.42 CC(C)NCCCCC(=O)N(C)C 34a_100138425928_100000752486 [0,2,0,0,0,0|2,0,0]=4 18170 B12R0.42 CC(C)NCCOCC(=O)C(C)C 34a_100000224655_100000753385 [0,2,0,0,0,0|2,0,0]=4 18171 B12R0.42 CC(C)OCCCCC(=O)N(C)C 34a_100000212225_100000752486 [0,2,0,0,0,0|2,0,0]=4 18172 B12R0.42 CC(C)OCCCNC(=O)C(C)C 11a_100000737246_100000210198 [0,2,0,0,0,0|2,0,0]=4 18173 B12R0.42 CC(C)OCCCNC(=O)C(C)C 1626a_100000737246_100000210198 [0,2,0,0,0,0|2,0,0]=4 18174 B12R0.42 CC(C)OCCCNC(=O)C(C)C 240690a_100000737246_100000210198 [0,2,0,0,0,0|2,0,0]=4 18175 B12R0.42 CC(C)OCCCNC(=O)C(C)C 527a_100000737246_100000210198 [0,2,0,0,0,0|2,0,0]=4 18176 B12R0.42 CC(C)OCCCNC(=O)C(C)F 11a_100000737246_100000062450 [0,2,0,0,0,0|2,0,0]=4 18177 B12R0.42 CC(C)OCCCNC(=O)C(C)F 1626a_100000737246_100000062450 [0,2,0,0,0,0|2,0,0]=4 18178 B12R0.42 CC(C)OCCCNC(=O)C(C)F 240690a_100000737246_100000062450 [0,2,0,0,0,0|2,0,0]=4 18179 B12R0.42 CC(C)OCCCNC(=O)C(C)F 527a_100000737246_100000062450 [0,2,0,0,0,0|2,0,0]=4 18180 B12R0.42 CC(C)OCCCNC(=O)[C@@H](C)O 240690a_100000737246_100000717761 [0,2,0,0,0,0|2,0,0]=4 18181 B12R0.42 CC(C)OCCCNC(=O)[C@H](C)O 1626a_100000737246_217856618621 [0,2,0,0,0,0|2,0,0]=4 18182 B12R0.42 CC(C)OCCCNC(=O)[C@H](C)O 240690a_100000737246_217856618621 [0,2,0,0,0,0|2,0,0]=4 18183 B12R0.42 CC(C)OCCNCC(=O)C(C)C 2230a_100000701111_100000753385 [0,2,0,0,0,0|2,0,0]=4 18184 B12R0.42 CC(C)OCCNCC(=O)C(C)C 34a_100000701111_100000753385 [0,2,0,0,0,0|2,0,0]=4 18185 B12R0.42 CC(C)OCCOCC(=O)C(C)C 34a_100000211219_100000753385 [0,2,0,0,0,0|2,0,0]=4 18186 B12R0.42 CC(C)OCCOCC(=O)C(C)C 7a_100000211219_100000753385 [0,2,0,0,0,0|2,0,0]=4 18187 B12R0.42 CC(C)OCCSCC(=O)C(C)C 62a_100000211751_100000753385 [0,2,0,0,0,0|2,0,0]=4 18188 B12R0.42 CC(C)OCCSCC(=O)C(C)C 62a_100000753385_100000211751 [0,2,0,0,0,0|2,0,0]=4 18189 B12R0.42 CC(C)SCCCCC(=O)N(C)C 62a_100000210206_100000752486 [0,2,0,0,0,0|2,0,0]=4 18190 B12R0.42 CC(C)SCCCCC(=O)N(C)C 62a_100000752486_100000210206 [0,2,0,0,0,0|2,0,0]=4 18191 B12R0.42 CC(C)SCCNCC(=O)C(C)C 2230a_100000731138_100000753385 [0,2,0,0,0,0|2,0,0]=4 18192 B12R0.42 CC(C)SCCNCC(=O)C(C)C 34a_100000731138_100000753385 [0,2,0,0,0,0|2,0,0]=4 18193 B12R0.42 CC(C)SCCOCC(=O)C(C)C 34a_200011212901_100000753385 [0,2,0,0,0,0|2,0,0]=4 18194 B12R0.42 CC(C)SCCOCC(=O)C(C)C 7a_200011212901_100000753385 [0,2,0,0,0,0|2,0,0]=4 18195 B12R0.42 CC(C)SCCSCC(=O)C(C)C 62a_100000730970_100000753385 [0,2,0,0,0,0|2,0,0]=4 18196 B12R0.42 CC(C)SCCSCC(=O)C(C)C 62a_100000753385_100000730970 [0,2,0,0,0,0|2,0,0]=4 18197 B12R0.42 CC(F)C(=O)CCCCCB(O)O 1458a_100000062450_200009817188 [0,2,0,0,0,0|2,0,0]=4 18198 B12R0.42 CC(F)C(=O)CCCCCC(=O)N 1458a_100000062450_100009817443 [0,2,0,0,0,0|1,0,1]=4 18199 B12R0.42 CC(F)C(=O)NCCCCN(C)C 240690a_100025707445_100000062450 [0,2,0,0,0,0|2,0,0]=4 18200 B12R0.42 CC(O)CCCNCC(=O)N(C)C 2230a_100015183351_200000718107 [0,2,0,0,0,0|2,0,0]=4 18201 B12R0.42 CC(O)CCCSCC(=O)C(C)C 62a_100000753385_200000718107 [0,2,0,0,0,0|1,0,0]=3 18202 B12R0.42 CC(O)CCCSCC(=O)C(C)C 62a_200000718107_100000753385 [0,2,0,0,0,0|1,0,0]=3 18203 B12R0.42 CC(O)CCCSCC(=O)N(C)C 62a_100000692301_200000718107 [0,2,0,0,0,0|2,0,0]=4 18204 B12R0.42 CC(O)CCCSCC(=O)N(C)C 62a_200000718107_100000692301 [0,2,0,0,0,0|2,0,0]=4 18205 B12R0.42 CC(O)CCNCCC(=O)N(C)C 2230a_100000738053_100012276601 [0,2,0,0,0,0|2,0,0]=4 18206 B12R0.42 CC(O)CCNCCC(=O)N(C)C 2230a_200000755665_100000737620 [0,2,0,0,0,0|2,0,0]=4 18207 B12R0.42 CC(O)CCOCCC(=O)N(C)C 34a_200000747469_100012276601 [0,2,0,0,0,0|2,0,0]=4 18208 B12R0.42 CC(O)CCSCCC(=O)N(C)C 62a_100000737620_100012276601 [0,2,0,0,0,0|2,0,0]=4 18209 B12R0.42 CC(O)CCSCCC(=O)N(C)C 62a_100012276601_100000737620 [0,2,0,0,0,0|2,0,0]=4 18210 B12R0.42 CC(O)CCSCOC(=O)C(C)C 62a_100000139345_100012276601 [0,2,0,0,0,0|2,0,0]=4 18211 B12R0.42 CC(O)CCSCOC(=O)C(C)C 62a_100012276601_100000139345 [0,2,0,0,0,0|2,0,0]=4 18212 B12R0.42 CC(O)CNCCCC(=O)N(C)C 2230a_100000210904_100000737642 [0,2,0,0,0,0|2,0,0]=4 18213 B12R0.42 CC(O)CNCCCC(=O)N(C)C 2230a_200000744827_100011218427 [0,2,0,0,0,0|2,0,0]=4 18214 B12R0.42 CC(O)CNCCNC(=O)C(C)C 2230a_100000752568_100011218427 [0,2,0,0,0,0|2,0,0]=4 18215 B12R0.42 CC(O)CNCCNC(=O)C(C)C 34a_100000752568_100011218427 [0,2,0,0,0,0|2,0,0]=4 18216 B12R0.42 CC(O)CSCCCC(=O)N(C)C 62a_100000737642_100011218427 [0,2,0,0,0,0|2,0,0]=4 18217 B12R0.42 CC(O)CSCCCC(=O)N(C)C 62a_100011218427_100000737642 [0,2,0,0,0,0|2,0,0]=4 18218 B12R0.42 C[C@@H](O)C(=O)CCCCCB(O)O 1458a_100000717761_200009817188 [0,2,0,0,0,0|2,0,0]=4 18219 B12R0.42 C[C@@H](O)C(=O)CCCCCC(=O)N 1458a_100000717761_100009817443 [0,2,0,0,0,0|1,0,1]=4 18220 B12R0.42 C[C@@H](O)C(=O)NCCCCN(C)C 240690a_100025707445_100000717761 [0,2,0,0,0,0|2,0,0]=4 18221 B12R0.42 C[C@@H](O)CNCCCC(=O)N(C)C 2230a_200000744827_100009817552 [0,2,0,0,0,0|2,0,0]=4 18222 B12R0.42 C[C@@H](O)CSCCCC(=O)N(C)C 62a_100000737642_100009817552 [0,2,0,0,0,0|2,0,0]=4 18223 B12R0.42 C[C@@H](O)CSCCCC(=O)N(C)C 62a_100009817552_100000737642 [0,2,0,0,0,0|2,0,0]=4 18224 B12R0.42 C[C@H](O)C(=O)CCCCCB(O)O 1458a_217856618621_200009817188 [0,2,0,0,0,0|2,0,0]=4 18225 B12R0.42 C[C@H](O)C(=O)CCCCCC(=O)N 1458a_217856618621_100009817443 [0,2,0,0,0,0|1,0,1]=4 18226 B12R0.42 C[C@H](O)C(=O)NCCCCN(C)C 240690a_100025707445_217856618621 [0,2,0,0,0,0|2,0,0]=4 18227 B12R0.46 C=C(C)C(=O)C(C)CCCCCC 1458a_100000185857_100011215978 [0,2,0,0,0,0|0,0,1]=3 18228 B12R0.46 C=C(C)C(=O)N(C)CCCCCC 11a_106256046315_100000185857 [0,2,0,0,0,0|1,0,1]=4 18229 B12R0.46 C=C(C)C(=O)N(C)CCCCCC 1626a_106256046315_100000185857 [0,2,0,0,0,0|1,0,1]=4 18230 B12R0.46 CC(C)C(=O)C(C)NCCCCO 2230a_100000750430_100009893295 [0,2,0,0,0,0|2,0,0]=4 18231 B12R0.46 CC(C)C(=O)C(C)OCCCCCl 7a_100000210776_100009893295 [0,2,0,0,0,0|2,0,0]=4 18232 B12R0.46 CC(C)C(=O)C(C)OCCCCF 7a_100011995726_100009893295 [0,2,0,0,0,0|2,0,0]=4 18233 B12R0.46 CC(C)C(=O)C(C)SCCCCF 62a_100000729493_100009893295 [0,2,0,0,0,0|2,0,0]=4 18234 B12R0.46 CC(C)C(=O)C(C)SCCCCF 62a_100009893295_100000729493 [0,2,0,0,0,0|2,0,0]=4 18235 B12R0.46 CC(C)C(=O)C(C)SCCCCO 62a_100000210776_100009893295 [0,2,0,0,0,0|2,0,0]=4 18236 B12R0.46 CC(C)C(=O)C(C)SCCCCO 62a_100009893295_100000210776 [0,2,0,0,0,0|2,0,0]=4 18237 B12R0.46 CC(C)C(=O)N(C)CCCCCO 240690a_100000722520_100000210198 [0,2,0,0,0,0|2,0,0]=4 18238 B12R0.46 CC(F)C(=O)N(C)CCCCCO 240690a_100000722520_100000062450 [0,2,0,0,0,0|2,0,0]=4 18239 B12R0.46 CCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210757 [0,2,0,0,0,0|1,0,1]=4 18240 B12R0.46 CCCCCCC(C)C(=O)C(C)C 1458a_100000210198_100011215978 [0,2,0,0,0,0|0,0,0]=2 18241 B12R0.46 CCCCCCC(C)C(=O)C(C)F 1458a_100000062450_100011215978 [0,2,0,0,0,0|0,0,0]=2 18242 B12R0.46 CCCCCCC(C)C(=O)C(O)O 1458a_100000233687_100011215978 [0,2,0,0,0,0|1,0,0]=3 18243 B12R0.46 CCCCCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100011215978 [0,2,0,0,0,0|0,0,0]=2 18244 B12R0.46 CCCCCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100011215978 [0,2,0,0,0,0|0,0,0]=2 18245 B12R0.46 CCCCCCC(C)N(C)C(C)C 269982a_200000211004_100011215978 [0,2,0,0,0,0|2,0,0]=4 18246 B12R0.46 CCCCCCC(C)N(C)C(C)C 270004a_200000211004_100000210826 [0,2,0,0,0,0|2,0,0]=4 18247 B12R0.46 CCCCCCC(O)C(=O)C(C)C 1458a_100011215828_100000210206 [0,2,0,0,0,0|0,0,0]=2 18248 B12R0.46 CCCCCCC(O)C(=O)N(C)C 240690a_100102631434_100011215828 [0,2,0,0,0,0|1,0,0]=3 18249 B12R0.46 CCCCCCN(C)C(=O)C(C)C 11a_106256046315_100000210198 [0,2,0,0,0,0|1,0,0]=3 18250 B12R0.46 CCCCCCN(C)C(=O)C(C)C 1626a_106256046315_100000210198 [0,2,0,0,0,0|1,0,0]=3 18251 B12R0.46 CCCCCCN(C)C(=O)C(C)C 240690a_106256046315_100000210198 [0,2,0,0,0,0|1,0,0]=3 18252 B12R0.46 CCCCCCN(C)C(=O)C(C)C 527a_106256046315_100000210198 [0,2,0,0,0,0|1,0,0]=3 18253 B12R0.46 CCCCCCN(C)C(=O)C(C)F 11a_106256046315_100000062450 [0,2,0,0,0,0|1,0,0]=3 18254 B12R0.46 CCCCCCN(C)C(=O)C(C)F 1626a_106256046315_100000062450 [0,2,0,0,0,0|1,0,0]=3 18255 B12R0.46 CCCCCCN(C)C(=O)C(C)F 240690a_106256046315_100000062450 [0,2,0,0,0,0|1,0,0]=3 18256 B12R0.46 CCCCCCN(C)C(=O)C(C)F 527a_106256046315_100000062450 [0,2,0,0,0,0|1,0,0]=3 18257 B12R0.46 CCCCCCN(C)C(=O)C(F)F 11a_106256046315_100000210393 [0,2,0,0,0,0|2,0,0]=4 18258 B12R0.46 CCCCCCN(C)C(=O)C(F)F 1626a_106256046315_100000210393 [0,2,0,0,0,0|2,0,0]=4 18259 B12R0.46 CCCCCCN(C)C(=O)C(F)F 240690a_106256046315_100000210393 [0,2,0,0,0,0|2,0,0]=4 18260 B12R0.46 CCCCCCN(C)C(=O)C(F)F 527a_106256046315_100000210393 [0,2,0,0,0,0|2,0,0]=4 18261 B12R0.46 CCCCCCN(C)C(=O)C(O)O 240690a_106256046315_100000233687 [0,2,0,0,0,0|2,0,0]=4 18262 B12R0.46 CCCCCCN(C)C(=O)[C@@H](C)O 240690a_106256046315_100000717761 [0,2,0,0,0,0|1,0,0]=3 18263 B12R0.46 CCCCCCN(C)C(=O)[C@H](C)O 1626a_106256046315_217856618621 [0,2,0,0,0,0|1,0,0]=3 18264 B12R0.46 CCCCCCN(C)C(=O)[C@H](C)O 240690a_106256046315_217856618621 [0,2,0,0,0,0|1,0,0]=3 18265 B12R0.46 CCCCCNC(C)C(=O)C(C)C 2230a_100000209983_100009893295 [0,2,0,0,0,0|1,0,0]=3 18266 B12R0.46 CCCCCNC(C)C(=O)N(C)C 2230a_100000209983_100000209910 [0,2,0,0,0,0|2,0,0]=4 18267 B12R0.46 CCCCCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210326 [0,2,0,0,0,0|2,0,0]=4 18268 B12R0.46 CCCCCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000718602 [0,2,0,0,0,0|2,0,0]=4 18269 B12R0.46 CCCCCOC(C)C(=O)C(C)C 7a_100000210253_100009893295 [0,2,0,0,0,0|1,0,0]=3 18270 B12R0.46 CCCCCOC(C)C(=O)N(C)C 7a_100000210253_100000209910 [0,2,0,0,0,0|2,0,0]=4 18271 B12R0.46 CCCCCSC(C)C(=O)C(C)C 62a_100000210326_100009893295 [0,2,0,0,0,0|1,0,0]=3 18272 B12R0.46 CCCCCSC(C)C(=O)C(C)C 62a_100009893295_100000210326 [0,2,0,0,0,0|1,0,0]=3 18273 B12R0.46 CCCCCSC(C)C(=O)N(C)C 62a_100000209910_100000210326 [0,2,0,0,0,0|2,0,0]=4 18274 B12R0.46 CCCCCSC(C)C(=O)N(C)C 62a_100000210326_100000209910 [0,2,0,0,0,0|2,0,0]=4 18275 B12R0.46 CCOCCNC(C)C(=O)C(C)C 2230a_102516460346_100009893295 [0,2,0,0,0,0|2,0,0]=4 18276 B12R0.46 CCOCCOC(C)C(=O)C(C)C 1458a_100000743585_100000210206 [0,2,0,0,0,0|2,0,0]=4 18277 B12R0.46 CCOCCOC(C)C(=O)C(C)C 7a_100000210136_100009893295 [0,2,0,0,0,0|2,0,0]=4 18278 B12R0.46 CCOCCSC(C)C(=O)C(C)C 62a_100000210147_100009893295 [0,2,0,0,0,0|2,0,0]=4 18279 B12R0.46 CCOCCSC(C)C(=O)C(C)C 62a_100009893295_100011215890 [0,2,0,0,0,0|2,0,0]=4 18280 B12R0.46 CCSCCNC(C)C(=O)C(C)C 2230a_100000106463_100009893295 [0,2,0,0,0,0|2,0,0]=4 18281 B12R0.46 CCSCCOC(C)C(=O)C(C)C 7a_100000212035_100009893295 [0,2,0,0,0,0|2,0,0]=4 18282 B12R0.46 CCSCCSC(C)C(=O)C(C)C 62a_100000757381_100009893295 [0,2,0,0,0,0|2,0,0]=4 18283 B12R0.46 CCSCCSC(C)C(=O)C(C)C 62a_100009893295_100000757381 [0,2,0,0,0,0|2,0,0]=4 18284 B12R0.46 COCCCSC(C)C(=O)C(C)C 62a_100000709357_100009893295 [0,2,0,0,0,0|2,0,0]=4 18285 B12R0.46 COCCCSC(C)C(=O)C(C)C 62a_100009893295_100000709357 [0,2,0,0,0,0|2,0,0]=4 18286 B12R0.46 CSCCCNC(C)C(=O)C(C)C 2230a_100000749238_100009893295 [0,2,0,0,0,0|2,0,0]=4 18287 B12R0.46 CSCCCOC(C)C(=O)C(C)C 7a_100000690336_100009893295 [0,2,0,0,0,0|2,0,0]=4 18288 B12R0.46 C[C@@H](O)C(=O)N(C)CCCCCO 240690a_100000722520_100000717761 [0,2,0,0,0,0|2,0,0]=4 18289 B12R0.46 C[C@H](O)C(=O)N(C)CCCCCO 240690a_100000722520_217856618621 [0,2,0,0,0,0|2,0,0]=4 18290 B12R0.48 CC(C)C(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210198 [0,2,0,0,0,0|2,0,0]=4 18291 B12R0.48 CC(C)C(=O)NC[C@H](C)CCCO 527a_100160569302_100000210198 [0,2,0,0,0,0|2,0,0]=4 18292 B12R0.48 CC(CCCCl)OCC(=O)C(C)C 34a_200000718107_100000753385 [0,2,0,0,0,0|2,0,0]=4 18293 B12R0.48 CC(CCCCl)OCC(=O)C(C)C 7a_200000718107_100000753385 [0,2,0,0,0,0|2,0,0]=4 18294 B12R0.48 CC(F)C(=O)NC[C@H](C)CCCO 240690a_100160569302_100000062450 [0,2,0,0,0,0|2,0,0]=4 18295 B12R0.48 CC(F)C(=O)NC[C@H](C)CCCO 527a_100160569302_100000062450 [0,2,0,0,0,0|2,0,0]=4 18296 B12R0.48 CCCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210211 [0,2,0,0,0,0|1,0,1]=4 18297 B12R0.48 CCCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100000210211 [0,2,0,0,0,0|1,0,1]=4 18298 B12R0.48 CCCCC(=O)COC(=O)C(C)C 1458a_100000210183_100000139345 [0,2,0,0,0,0|1,0,1]=4 18299 B12R0.48 CCCCC(C)CCC(=O)C(C)C 1458a_100000033779_100000210206 [0,2,0,0,0,0|0,0,0]=2 18300 B12R0.48 CCCCC(C)CCC(=O)N(C)C 11a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 18301 B12R0.48 CCCCC(C)CCC(=O)N(C)C 1626a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 18302 B12R0.48 CCCCC(C)CCC(=O)N(C)C 240690a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 18303 B12R0.48 CCCCC(C)CCC(=O)N(C)C 527a_100102631434_100000033779 [0,2,0,0,0,0|1,0,0]=3 18304 B12R0.48 CCCCC(C)NCC(=O)C(C)C 2230a_100000126638_100000753385 [0,2,0,0,0,0|1,0,0]=3 18305 B12R0.48 CCCCC(C)NCC(=O)N(C)C 2230a_100000126638_100000185267 [0,2,0,0,0,0|2,0,0]=4 18306 B12R0.48 CCCCC(C)NCC(=O)N(C)C 2230a_100015183351_200011215066 [0,2,0,0,0,0|2,0,0]=4 18307 B12R0.48 CCCCC(C)NCC(=O)N(C)C 270004a_100015183351_100000210087 [0,2,0,0,0,0|2,0,0]=4 18308 B12R0.48 CCCCC(C)OCC(=O)C(=O)C 34a_100000687866_100011261029 [0,2,0,0,0,0|1,0,1]=4 18309 B12R0.48 CCCCC(C)OCC(=O)C(C)C 34a_100000687866_100000753385 [0,2,0,0,0,0|1,0,0]=3 18310 B12R0.48 CCCCC(C)OCC(=O)C(C)C 7a_100000687866_100000753385 [0,2,0,0,0,0|1,0,0]=3 18311 B12R0.48 CCCCC(C)OCC(=O)N(C)C 34a_100000687866_100000692301 [0,2,0,0,0,0|2,0,0]=4 18312 B12R0.48 CCCCC(C)OCC(=O)N(C)C 7a_100000687866_100000692301 [0,2,0,0,0,0|2,0,0]=4 18313 B12R0.48 CCCCC(C)SCC(=O)C(=O)C 62a_100011261029_200011215066 [0,2,0,0,0,0|1,0,1]=4 18314 B12R0.48 CCCCC(C)SCC(=O)C(=O)C 62a_200011215066_100011261029 [0,2,0,0,0,0|1,0,1]=4 18315 B12R0.48 CCCCC(C)SCC(=O)C(C)C 62a_100000753385_200011215066 [0,2,0,0,0,0|1,0,0]=3 18316 B12R0.48 CCCCC(C)SCC(=O)C(C)C 62a_200011215066_100000753385 [0,2,0,0,0,0|1,0,0]=3 18317 B12R0.48 CCCCC(C)SCC(=O)N(C)C 62a_100000692301_200011215066 [0,2,0,0,0,0|2,0,0]=4 18318 B12R0.48 CCCCC(C)SCC(=O)N(C)C 62a_200011215066_100000692301 [0,2,0,0,0,0|2,0,0]=4 18319 B12R0.48 CCCCN(C)CCC(=O)N(C)C 2230a_100000207549_100000737620 [0,2,0,0,0,0|2,0,0]=4 18320 B12R0.48 CCCCN(C)CCC(=O)N(C)C 269982a_100000207549_100000737620 [0,2,0,0,0,0|2,0,0]=4 18321 B12R0.48 CCCNC(=O)CCC(=O)C(C)C 1458a_100000199543_100000210206 [0,2,0,0,0,0|1,0,1]=4 18322 B12R0.48 CCCOC(C)CNC(=O)C(C)C 11a_100015185124_100000210198 [0,2,0,0,0,0|2,0,0]=4 18323 B12R0.48 CCCOC(C)CNC(=O)C(C)C 1626a_100015185124_100000210198 [0,2,0,0,0,0|2,0,0]=4 18324 B12R0.48 CCCOC(C)CNC(=O)C(C)C 240690a_100015185124_100000210198 [0,2,0,0,0,0|2,0,0]=4 18325 B12R0.48 CCCOC(C)CNC(=O)C(C)C 527a_100015185124_100000210198 [0,2,0,0,0,0|2,0,0]=4 18326 B12R0.48 CCCOC(C)CNC(=O)C(C)F 11a_100015185124_100000062450 [0,2,0,0,0,0|2,0,0]=4 18327 B12R0.48 CCCOC(C)CNC(=O)C(C)F 1626a_100015185124_100000062450 [0,2,0,0,0,0|2,0,0]=4 18328 B12R0.48 CCCOC(C)CNC(=O)C(C)F 240690a_100015185124_100000062450 [0,2,0,0,0,0|2,0,0]=4 18329 B12R0.48 CCCOC(C)CNC(=O)C(C)F 527a_100015185124_100000062450 [0,2,0,0,0,0|2,0,0]=4 18330 B12R0.48 CCCOC(C)CNC(=O)[C@@H](C)O 240690a_100015185124_100000717761 [0,2,0,0,0,0|2,0,0]=4 18331 B12R0.48 CCCOC(C)CNC(=O)[C@H](C)O 1626a_100015185124_217856618621 [0,2,0,0,0,0|2,0,0]=4 18332 B12R0.48 CCCOC(C)CNC(=O)[C@H](C)O 240690a_100015185124_217856618621 [0,2,0,0,0,0|2,0,0]=4 18333 B12R0.48 CCOCC(C)OCC(=O)C(C)C 34a_100000718985_100000753385 [0,2,0,0,0,0|2,0,0]=4 18334 B12R0.48 CCOCC(C)OCC(=O)C(C)C 7a_100000718985_100000753385 [0,2,0,0,0,0|2,0,0]=4 18335 B12R0.48 CCOCC(O)CNC(=O)C(C)C 240690a_102515437182_100000210198 [0,2,0,0,0,0|2,0,0]=4 18336 B12R0.48 CCOCC(O)CNC(=O)C(C)C 527a_102515437182_100000210198 [0,2,0,0,0,0|2,0,0]=4 18337 B12R0.48 CCOCC(O)CNC(=O)C(C)F 240690a_102515437182_100000062450 [0,2,0,0,0,0|2,0,0]=4 18338 B12R0.48 CCOCC(O)CNC(=O)C(C)F 527a_102515437182_100000062450 [0,2,0,0,0,0|2,0,0]=4 18339 B12R0.48 CCOCC(O)CNC(=O)[C@@H](C)O 240690a_102515437182_100000717761 [0,2,0,0,0,0|2,0,0]=4 18340 B12R0.48 CCOCC(O)CNC(=O)[C@H](C)O 240690a_102515437182_217856618621 [0,2,0,0,0,0|2,0,0]=4 18341 B12R0.48 COCCN(C)CCC(=O)C(C)C 1458a_200103286627_100000210206 [0,2,0,0,0,0|2,0,0]=4 18342 B12R0.48 C[C@H](CCCO)CNC(=O)[C@@H](C)O 240690a_100160569302_100000717761 [0,2,0,0,0,0|2,0,0]=4 18343 B12R0.48 C[C@H](CCCO)CNC(=O)[C@H](C)O 240690a_100160569302_217856618621 [0,2,0,0,0,0|2,0,0]=4 18344 B12R0.58 CCCCCCNS(=O)(=O)C(C)C 270084a_100000210581_100000742656 [0,2,0,0,0,0|2,0,0]=4 18345 B12R0.58 CCCCCCNS(=O)(=O)C(C)C 274078a_100000210581_100000742656 [0,2,0,0,0,0|2,0,0]=4 18346 B12R0.58 CCCCNCCS(=O)(=O)C(C)C 2230a_100000732177_100000210211 [0,2,0,0,0,0|2,0,0]=4 18347 B12R0.58 CCCCNCCS(=O)(=O)C(C)C 34a_100000732177_100000210210 [0,2,0,0,0,0|2,0,0]=4 18348 B12R0.123 C=C(C)C(=O)CC(=O)CCCCC 1458a_100000185857_200012276598 [0,2,0,0,0,0|0,0,2]=4 18349 B12R0.123 C=C(C)C(=O)NC(C)CCCCC 11a_100000211957_100000185857 [0,2,0,0,0,0|1,0,1]=4 18350 B12R0.123 C=C(C)C(=O)NC(C)CCCCC 1626a_100000211957_100000185857 [0,2,0,0,0,0|1,0,1]=4 18351 B12R0.123 CC(C)C(=O)CC(=O)CCCCO 1458a_100000695505_100000753385 [0,2,0,0,0,0|1,0,1]=4 18352 B12R0.123 CC(C)C(=O)CN(C)CCCCO 2230a_100000717598_100000753385 [0,2,0,0,0,0|2,0,0]=4 18353 B12R0.123 CC(C)C(=O)CN(C)CCCCO 269982a_100000717598_100000753385 [0,2,0,0,0,0|2,0,0]=4 18354 B12R0.123 CCCCCC(=O)CC(=O)C(=O)C 1458a_100000212188_100011261029 [0,2,0,0,0,0|0,0,2]=4 18355 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000210198_200012276598 [0,2,0,0,0,0|0,0,1]=3 18356 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000212188_100000753385 [0,2,0,0,0,0|0,0,1]=3 18357 B12R0.123 CCCCCC(=O)CC(=O)C(C)F 1458a_100000062450_200012276598 [0,2,0,0,0,0|0,0,1]=3 18358 B12R0.123 CCCCCC(=O)CC(=O)C(O)O 1458a_100000233687_200012276598 [0,2,0,0,0,0|1,0,1]=4 18359 B12R0.123 CCCCCC(=O)CC(=O)N(C)C 1458a_100000212188_100000185267 [0,2,0,0,0,0|1,0,1]=4 18360 B12R0.123 CCCCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200012276598 [0,2,0,0,0,0|0,0,1]=3 18361 B12R0.123 CCCCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200012276598 [0,2,0,0,0,0|0,0,1]=3 18362 B12R0.123 CCCCCC(C)NC(=O)C(C)C 11a_100000211957_100000210198 [0,2,0,0,0,0|1,0,0]=3 18363 B12R0.123 CCCCCC(C)NC(=O)C(C)C 1626a_100000211957_100000210198 [0,2,0,0,0,0|1,0,0]=3 18364 B12R0.123 CCCCCC(C)NC(=O)C(C)C 240690a_100000211957_100000210198 [0,2,0,0,0,0|1,0,0]=3 18365 B12R0.123 CCCCCC(C)NC(=O)C(C)C 527a_100000211957_100000210198 [0,2,0,0,0,0|1,0,0]=3 18366 B12R0.123 CCCCCC(C)NC(=O)C(C)F 11a_100000211957_100000062450 [0,2,0,0,0,0|1,0,0]=3 18367 B12R0.123 CCCCCC(C)NC(=O)C(C)F 1626a_100000211957_100000062450 [0,2,0,0,0,0|1,0,0]=3 18368 B12R0.123 CCCCCC(C)NC(=O)C(C)F 240690a_100000211957_100000062450 [0,2,0,0,0,0|1,0,0]=3 18369 B12R0.123 CCCCCC(C)NC(=O)C(C)F 527a_100000211957_100000062450 [0,2,0,0,0,0|1,0,0]=3 18370 B12R0.123 CCCCCC(C)NC(=O)C(F)F 11a_100000211957_100000210393 [0,2,0,0,0,0|2,0,0]=4 18371 B12R0.123 CCCCCC(C)NC(=O)C(F)F 1626a_100000211957_100000210393 [0,2,0,0,0,0|2,0,0]=4 18372 B12R0.123 CCCCCC(C)NC(=O)C(F)F 240690a_100000211957_100000210393 [0,2,0,0,0,0|2,0,0]=4 18373 B12R0.123 CCCCCC(C)NC(=O)C(F)F 527a_100000211957_100000210393 [0,2,0,0,0,0|2,0,0]=4 18374 B12R0.123 CCCCCC(C)NC(=O)C(O)O 240690a_100000211957_100000233687 [0,2,0,0,0,0|2,0,0]=4 18375 B12R0.123 CCCCCC(C)NC(=O)N(C)C 2708a_100000211957_100102631434 [0,2,0,0,0,0|2,0,0]=4 18376 B12R0.123 CCCCCC(C)NC(=O)[C@@H](C)O 240690a_100000211957_100000717761 [0,2,0,0,0,0|1,0,0]=3 18377 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 1626a_100000211957_217856618621 [0,2,0,0,0,0|1,0,0]=3 18378 B12R0.123 CCCCCC(C)NC(=O)[C@H](C)O 240690a_100000211957_217856618621 [0,2,0,0,0,0|1,0,0]=3 18379 B12R0.123 CCCCCN(C)CC(=O)C(=O)C 269982a_100000223495_100011261029 [0,2,0,0,0,0|1,0,1]=4 18380 B12R0.123 CCCCCN(C)CC(=O)C(C)C 2230a_100000223495_100000753385 [0,2,0,0,0,0|1,0,0]=3 18381 B12R0.123 CCCCCN(C)CC(=O)C(C)C 269982a_100000223495_100000753385 [0,2,0,0,0,0|1,0,0]=3 18382 B12R0.123 CCCCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210326 [0,2,0,0,0,0|2,0,0]=4 18383 B12R0.123 CCCCCN(C)CC(=O)N(C)C 2230a_100000223495_100000185267 [0,2,0,0,0,0|2,0,0]=4 18384 B12R0.123 CCCCCN(C)CC(=O)N(C)C 269982a_100000223495_100000185267 [0,2,0,0,0,0|2,0,0]=4 18385 B12R0.123 CCCCNC(=O)CC(=O)C(C)C 1458a_100000210198_100000182744 [0,2,0,0,0,0|1,0,1]=4 18386 B12R0.123 CCCCNC(=O)CC(=O)C(C)F 1458a_100000062450_100000182744 [0,2,0,0,0,0|1,0,1]=4 18387 B12R0.123 CCCCNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000182744 [0,2,0,0,0,0|1,0,1]=4 18388 B12R0.123 CCCCNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000182744 [0,2,0,0,0,0|1,0,1]=4 18389 B12R0.123 CCCCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000211628 [0,2,0,0,0,0|1,0,1]=4 18390 B12R0.123 CCCCOC(=O)CC(=O)C(C)F 1458a_100000062450_100000211628 [0,2,0,0,0,0|1,0,1]=4 18391 B12R0.123 CCCCOC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000211628 [0,2,0,0,0,0|1,0,1]=4 18392 B12R0.123 CCCCOC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000211628 [0,2,0,0,0,0|1,0,1]=4 18393 B12R0.123 CCCOCC(=O)CC(=O)C(C)C 1458a_100000745993_100000753385 [0,2,0,0,0,0|1,0,1]=4 18394 B12R0.123 CCCSCC(=O)CC(=O)C(C)C 1458a_100000217233_100000753385 [0,2,0,0,0,0|1,0,1]=4 18395 B12R0.123 CCOCCC(=O)CC(=O)C(C)C 1458a_100000749530_100000753385 [0,2,0,0,0,0|1,0,1]=4 18396 B12R0.123 CCSCCC(=O)CC(=O)C(C)C 1458a_100000230768_100000753385 [0,2,0,0,0,0|1,0,1]=4 18397 B12R0.123 COCCCC(=O)CC(=O)C(C)C 1458a_100000741012_100000753385 [0,2,0,0,0,0|1,0,1]=4 18398 B12R0.123 COCCCN(C)CC(=O)C(C)C 2230a_100000224831_100000753385 [0,2,0,0,0,0|2,0,0]=4 18399 B12R0.123 COCCCN(C)CC(=O)C(C)C 269982a_100000224831_100000753385 [0,2,0,0,0,0|2,0,0]=4 18400 B12R0.123 CSCCCC(=O)CC(=O)C(C)C 1458a_100000173376_100000753385 [0,2,0,0,0,0|1,0,1]=4 18401 B12R0.186 CC(CO)CCNCC(=O)C(C)C 2230a_106354213184_100000753385 [0,2,0,0,0,0|2,0,0]=4 18402 B12R0.186 CC(CO)CCNCC(=O)C(C)C 34a_106354213184_100000753385 [0,2,0,0,0,0|2,0,0]=4 18403 B12R0.186 CCC(=O)CCCCC(=O)N(C)C 1458a_100000210414_100000752486 [0,2,0,0,0,0|1,0,1]=4 18404 B12R0.186 CCC(C)CCNCC(=O)C(C)C 2230a_100020591266_100000753385 [0,2,0,0,0,0|1,0,0]=3 18405 B12R0.186 CCC(C)CCNCC(=O)N(C)C 2230a_100020591266_100000185267 [0,2,0,0,0,0|2,0,0]=4 18406 B12R0.186 CCC(C)CCOCC(=O)C(C)C 7a_100011215188_100000753385 [0,2,0,0,0,0|1,0,0]=3 18407 B12R0.186 CCC(C)CCOCC(=O)N(C)C 7a_100011215188_100000692301 [0,2,0,0,0,0|2,0,0]=4 18408 B12R0.186 CCC(C)CNCCC(=O)N(C)C 2230a_100000738053_100000748023 [0,2,0,0,0,0|2,0,0]=4 18409 B12R0.186 CCC(C)CNCCC(=O)N(C)C 2230a_100020588543_100000737620 [0,2,0,0,0,0|2,0,0]=4 18410 B12R0.186 CCC(C)CNCCC(=O)N(C)C 270004a_100000738053_100000243153 [0,2,0,0,0,0|2,0,0]=4 18411 B12R0.186 CCC(C)COCCC(=O)N(C)C 34a_200000747469_100000748023 [0,2,0,0,0,0|2,0,0]=4 18412 B12R0.186 CCC(C)CSCCC(=O)N(C)C 62a_100000737620_100000748023 [0,2,0,0,0,0|2,0,0]=4 18413 B12R0.186 CCC(C)CSCCC(=O)N(C)C 62a_100000748023_100000737620 [0,2,0,0,0,0|2,0,0]=4 18414 B12R0.186 CCC(C)CSCOC(=O)C(C)C 62a_100000139345_100000748023 [0,2,0,0,0,0|2,0,0]=4 18415 B12R0.186 CCC(C)CSCOC(=O)C(C)C 62a_100000748023_100000139345 [0,2,0,0,0,0|2,0,0]=4 18416 B12R0.186 CCC(C)NCCCC(=O)N(C)C 2230a_100000209981_100000737642 [0,2,0,0,0,0|2,0,0]=4 18417 B12R0.186 CCC(C)NCCCC(=O)N(C)C 2230a_200000744827_100000758301 [0,2,0,0,0,0|2,0,0]=4 18418 B12R0.186 CCC(C)NCCNC(=O)C(C)C 2230a_100000752568_100000758301 [0,2,0,0,0,0|2,0,0]=4 18419 B12R0.186 CCC(C)NCCNC(=O)C(C)C 34a_100000752568_100011215416 [0,2,0,0,0,0|2,0,0]=4 18420 B12R0.186 CCC(C)OCCCC(=O)N(C)C 7a_100000210228_100000737642 [0,2,0,0,0,0|2,0,0]=4 18421 B12R0.186 CCC(C)SCCCC(=O)N(C)C 62a_100000737642_100000758301 [0,2,0,0,0,0|2,0,0]=4 18422 B12R0.186 CCC(C)SCCCC(=O)N(C)C 62a_100000758301_100000737642 [0,2,0,0,0,0|2,0,0]=4 18423 B12R0.186 CCC(O)CNCCC(=O)N(C)C 2230a_100000738053_100011218378 [0,2,0,0,0,0|2,0,0]=4 18424 B12R0.186 CCC(O)CNCCC(=O)N(C)C 2230a_100011218483_100000737620 [0,2,0,0,0,0|2,0,0]=4 18425 B12R0.186 CCC(O)COCCC(=O)N(C)C 34a_200000747469_100011218378 [0,2,0,0,0,0|2,0,0]=4 18426 B12R0.186 CCC(O)CSCCC(=O)N(C)C 62a_100000737620_100011218378 [0,2,0,0,0,0|2,0,0]=4 18427 B12R0.186 CCC(O)CSCCC(=O)N(C)C 62a_100011218378_100000737620 [0,2,0,0,0,0|2,0,0]=4 18428 B12R0.186 CCC(O)CSCOC(=O)C(C)C 62a_100000139345_100011218378 [0,2,0,0,0,0|2,0,0]=4 18429 B12R0.186 CCC(O)CSCOC(=O)C(C)C 62a_100011218378_100000139345 [0,2,0,0,0,0|2,0,0]=4 18430 B12R0.186 CCN(C)CCCCC(=O)N(C)C 269982a_100000225621_100000752486 [0,2,0,0,0,0|2,0,0]=4 18431 B12R0.186 CC[C@H](C)CNCCC(=O)N(C)C 2230a_100000738053_100009816398 [0,2,0,0,0,0|2,0,0]=4 18432 B12R0.186 CC[C@H](C)COCCC(=O)N(C)C 34a_200000747469_100009816398 [0,2,0,0,0,0|2,0,0]=4 18433 B12R0.186 CC[C@H](C)COCCC(=O)N(C)C 7a_100009816381_100000737620 [0,2,0,0,0,0|2,0,0]=4 18434 B12R0.186 CC[C@H](C)CSCCC(=O)N(C)C 62a_100000737620_100009816398 [0,2,0,0,0,0|2,0,0]=4 18435 B12R0.186 CC[C@H](C)CSCCC(=O)N(C)C 62a_100009816398_100000737620 [0,2,0,0,0,0|2,0,0]=4 18436 B12R0.186 CC[C@H](C)CSCOC(=O)C(C)C 62a_100000139345_100009816398 [0,2,0,0,0,0|2,0,0]=4 18437 B12R0.186 CC[C@H](C)CSCOC(=O)C(C)C 62a_100009816398_100000139345 [0,2,0,0,0,0|2,0,0]=4 18438 B12R0.186 CNC(=O)CCCNC(C)C(C)C 2230a_100000211541_100000741757 [0,2,0,0,0,0|2,0,0]=4 18439 B12R0.186 CNC(=O)CCCOC(C)C(C)C 7a_100000748068_100000741757 [0,2,0,0,0,0|2,0,0]=4 18440 B12R0.186 CNC(=O)CCNCC(O)C(C)C 2230a_100000759067_100000737683 [0,2,0,0,0,0|2,0,0]=4 18441 B12R0.186 CNC(=O)CCNCC(O)C(C)C 34a_100000759067_100012179268 [0,2,0,0,0,0|2,0,0]=4 18442 B12R0.186 CNC(=O)CCOC[C@H](N)C(C)C 34a_100011830312_100012179268 [0,2,0,0,0,0|2,0,0]=4 18443 B12R0.186 CNC(=O)COCCC(N)C(C)C 34a_100161115045_100000183359 [0,2,0,0,0,0|2,0,0]=4 18444 B12R0.186 COC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000204269 [0,2,0,0,0,0|1,0,1]=4 18445 B12R0.186 COC(=O)CCCCC(=O)C(C)C 1458a_100000695723_100000210206 [0,2,0,0,0,0|1,0,1]=4 18446 B12R0.186 COC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000204269 [0,2,0,0,0,0|1,0,1]=4 18447 B12R0.186 COC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000204269 [0,2,0,0,0,0|1,0,1]=4 18448 B12R0.186 COC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000204269 [0,2,0,0,0,0|1,0,1]=4 18449 B12R0.186 COC(=O)CCCCN(C)C(C)C 269982a_200000211004_100000204269 [0,2,0,0,0,0|2,0,0]=4 18450 B12R0.186 COC(=O)CCCNC(C)C(C)C 2230a_100000211541_100011218270 [0,2,0,0,0,0|2,0,0]=4 18451 B12R0.186 COC(=O)CCCOC(C)C(C)C 7a_100000748068_100011218270 [0,2,0,0,0,0|2,0,0]=4 18452 B12R0.186 COC(=O)CCNCC(O)C(C)C 2230a_100000759067_100000204255 [0,2,0,0,0,0|2,0,0]=4 18453 B12R0.186 COC(=O)CCNCC(O)C(C)C 34a_100000759067_100000742370 [0,2,0,0,0,0|2,0,0]=4 18454 B12R0.186 COC(=O)CCOC[C@H](N)C(C)C 34a_100011830312_100000742370 [0,2,0,0,0,0|2,0,0]=4 18455 B12R0.186 COC(=O)COCCC(N)C(C)C 34a_100161115045_100000747449 [0,2,0,0,0,0|2,0,0]=4 18456 B12R0.186 COC(C)CCOCC(=O)C(C)C 7a_100000764861_100000753385 [0,2,0,0,0,0|2,0,0]=4 18457 B12R0.201 CCCCCCCC(CC)N(C)C 270004a_100102631434_200011217162 [0,2,0,0,0,0|1,0,1]=4 18458 B12R0.201 CCCCCCCN(CC)C(=O)C 11a_100000228213_100015343762 [0,2,0,0,0,0|1,0,0]=3 18459 B12R0.201 CCCCCCCN(CC)C(=O)C 1626a_100000228213_100015343762 [0,2,0,0,0,0|1,0,0]=3 18460 B12R0.201 CCCCCCCN(CC)C(=O)C 240690a_100000228213_100015343762 [0,2,0,0,0,0|1,0,0]=3 18461 B12R0.201 CCCCCCCN(CC)C(=O)C 527a_100000228213_100103153847 [0,2,0,0,0,0|1,0,0]=3 18462 B12R0.201 CCCCCCCN(CC)C(C)C 2230a_100000223864_100000210681 [0,2,0,0,0,0|2,0,0]=4 18463 B12R0.201 CCCCCCCN(CC)C(C)C 2230a_100000228213_100000210206 [0,2,0,0,0,0|2,0,0]=4 18464 B12R0.201 CCCCCCCN(CC)C(C)C 269982a_100000223864_100000210681 [0,2,0,0,0,0|2,0,0]=4 18465 B12R0.201 CCCCCCCN(CC)C(C)C 269982a_100000228213_100000210206 [0,2,0,0,0,0|2,0,0]=4 18466 B12R0.201 CCCCCCNC(CC)C(=O)N 2230a_100000210581_100000750255 [0,2,0,0,0,0|1,0,1]=4 18467 B12R0.201 CCCCCCNC(CC)C(=O)N 2230a_100000733705_100000210314 [0,2,0,0,0,0|1,0,1]=4 18468 B12R0.201 CCCCCCNC(CC)C(=O)N 34a_100000733705_100000210314 [0,2,0,0,0,0|1,0,1]=4 18469 B12R0.201 CCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210757 [0,2,0,0,0,0|1,0,1]=4 18470 B12R0.201 CCCCCCOC(CC)C(=O)N 34a_100000210259_100000750255 [0,2,0,0,0,0|1,0,1]=4 18471 B12R0.201 CCCCCCOC(CC)C(=O)N 7a_100000210259_100000750255 [0,2,0,0,0,0|1,0,1]=4 18472 B12R0.201 CCCCCCSC(CC)C(=O)N 62a_100000210314_100000750255 [0,2,0,0,0,0|1,0,1]=4 18473 B12R0.201 CCCCCCSC(CC)C(=O)N 62a_100000750255_100000210757 [0,2,0,0,0,0|1,0,1]=4 18474 B12R0.237 C#CCCCCCC(=O)C(C)(C)C 1458a_106744555173_100012094781 [0,2,0,0,0,0|0,0,2]=4 18475 B12R0.237 C#CCCCCCC(=O)C(C)(C)F 1458a_100000765255_100012094781 [0,2,0,0,0,0|0,0,2]=4 18476 B12R0.237 C#CCCCCCC(=O)C(C)(C)O 1458a_100000242741_100012094781 [0,2,0,0,0,0|0,0,2]=4 18477 B12R0.237 C=CCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000700193 [0,2,0,0,0,0|0,0,2]=4 18478 B12R0.237 C=CCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000700193 [0,2,0,0,0,0|0,0,2]=4 18479 B12R0.237 C=CCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000700193 [0,2,0,0,0,0|0,0,2]=4 18480 B12R0.237 CC(C)(C)C(=O)CCCCCC#N 1458a_106744555173_100009813376 [0,2,0,0,0,0|1,0,1]=4 18481 B12R0.237 CC(C)(C)C(=O)CCCCCCF 1458a_106744555173_100015922095 [0,2,0,0,0,0|1,0,0]=3 18482 B12R0.237 CC(C)(C)C(=O)CCCCCCO 1458a_106744555173_100000766143 [0,2,0,0,0,0|1,0,0]=3 18483 B12R0.237 CC(C)(C)C(=O)CNCCCCO 34a_100000750430_100000229897 [0,2,0,0,0,0|2,0,0]=4 18484 B12R0.237 CC(C)(C)C(=O)COCCCCBr 34a_100011216708_100000229897 [0,2,0,0,0,0|2,0,0]=4 18485 B12R0.237 CC(C)(C)C(=O)COCCCCCl 34a_100000210776_100000229897 [0,2,0,0,0,0|2,0,0]=4 18486 B12R0.237 CC(C)(C)C(=O)COCCCCCl 7a_100000210776_100000210923 [0,2,0,0,0,0|2,0,0]=4 18487 B12R0.237 CC(C)(C)C(=O)COCCCCF 34a_100011995726_100000229897 [0,2,0,0,0,0|2,0,0]=4 18488 B12R0.237 CC(C)(C)C(=O)COCCCCF 34a_200011592769_100000729493 [0,2,0,0,0,0|2,0,0]=4 18489 B12R0.237 CC(C)(C)C(=O)COCCCCF 7a_100011995726_100000210923 [0,2,0,0,0,0|2,0,0]=4 18490 B12R0.237 CC(C)(C)C(=O)COCCCCF 7a_200011592769_100000729493 [0,2,0,0,0,0|2,0,0]=4 18491 B12R0.237 CC(C)(C)C(=O)COCCCCI 34a_200012148704_100000229897 [0,2,0,0,0,0|2,0,0]=4 18492 B12R0.237 CC(C)(C)C(=O)COCCCCN 34a_100000750430_100000229897 [0,2,0,0,0,0|2,0,0]=4 18493 B12R0.237 CC(C)(C)C(=O)COCCCCO 34a_200011592769_100011216708 [0,2,0,0,0,0|2,0,0]=4 18494 B12R0.237 CC(C)(C)C(=O)COCCCCO 7a_200011592769_100000210776 [0,2,0,0,0,0|2,0,0]=4 18495 B12R0.237 CC(C)(C)C(=O)CSCCCCF 62a_100000210923_100000729493 [0,2,0,0,0,0|2,0,0]=4 18496 B12R0.237 CC(C)(C)C(=O)CSCCCCF 62a_100000729493_100000210923 [0,2,0,0,0,0|2,0,0]=4 18497 B12R0.237 CC(C)(C)C(=O)CSCCCCO 62a_100000210776_100000210923 [0,2,0,0,0,0|2,0,0]=4 18498 B12R0.237 CC(C)(C)C(=O)CSCCCCO 62a_100000210923_100000210776 [0,2,0,0,0,0|2,0,0]=4 18499 B12R0.237 CC(C)(C)C(=O)NCCCCCO 240690a_100000762737_106744555173 [0,2,0,0,0,0|2,0,0]=4 18500 B12R0.237 CC(C)(F)C(=O)CCCCCC#N 1458a_100000765255_100009813376 [0,2,0,0,0,0|1,0,1]=4 18501 B12R0.237 CC(C)(F)C(=O)CCCCCCF 1458a_100000765255_100015922095 [0,2,0,0,0,0|1,0,0]=3 18502 B12R0.237 CC(C)(F)C(=O)CCCCCCO 1458a_100000765255_100000766143 [0,2,0,0,0,0|1,0,0]=3 18503 B12R0.237 CC(C)(F)C(=O)NCCCCCO 240690a_100000762737_100000765255 [0,2,0,0,0,0|2,0,0]=4 18504 B12R0.237 CC(C)(O)C(=O)CCCCCC#N 1458a_100000242741_100009813376 [0,2,0,0,0,0|1,0,1]=4 18505 B12R0.237 CC(C)(O)C(=O)CCCCCCF 1458a_100000242741_100015922095 [0,2,0,0,0,0|1,0,0]=3 18506 B12R0.237 CC(C)(O)C(=O)CCCCCCO 1458a_100000242741_100000766143 [0,2,0,0,0,0|1,0,0]=3 18507 B12R0.237 CC(C)(O)C(=O)NCCCCCO 240690a_100000762737_100000242741 [0,2,0,0,0,0|2,0,0]=4 18508 B12R0.237 CC(F)(F)C(=O)NCCCCCO 240690a_100000762737_100000042251 [0,2,0,0,0,0|2,0,0]=4 18509 B12R0.237 CCCCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210614 [0,2,0,0,0,0|0,0,0]=2 18510 B12R0.237 CCCCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210614 [0,2,0,0,0,0|0,0,0]=2 18511 B12R0.237 CCCCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210614 [0,2,0,0,0,0|0,0,0]=2 18512 B12R0.237 CCCCCCCC(=O)C(F)(F)F 1458a_100000211969_200000243211 [0,2,0,0,0,0|1,0,0]=3 18513 B12R0.237 CCCCCCCC(=O)C(F)(F)F 1458a_100015355933_100000210614 [0,2,0,0,0,0|1,0,0]=3 18514 B12R0.237 CCCCCCCN(C)C(C)(C)C 269982a_100000228206_100000210625 [0,2,0,0,0,0|2,0,0]=4 18515 B12R0.237 CCCCCCCN(C)C(C)(C)C 269982a_100011215553_100000210681 [0,2,0,0,0,0|2,0,0]=4 18516 B12R0.237 CCCCCCNC(=O)C(C)(C)C 11a_100000210581_106744555173 [0,2,0,0,0,0|1,0,0]=3 18517 B12R0.237 CCCCCCNC(=O)C(C)(C)C 1626a_100000210581_106744555173 [0,2,0,0,0,0|1,0,0]=3 18518 B12R0.237 CCCCCCNC(=O)C(C)(C)C 240690a_100000210581_106744555173 [0,2,0,0,0,0|1,0,0]=3 18519 B12R0.237 CCCCCCNC(=O)C(C)(C)C 527a_100000210581_106744555173 [0,2,0,0,0,0|1,0,0]=3 18520 B12R0.237 CCCCCCNC(=O)C(C)(C)F 11a_100000210581_100000765255 [0,2,0,0,0,0|1,0,0]=3 18521 B12R0.237 CCCCCCNC(=O)C(C)(C)F 1626a_100000210581_100000765255 [0,2,0,0,0,0|1,0,0]=3 18522 B12R0.237 CCCCCCNC(=O)C(C)(C)F 240690a_100000210581_100000765255 [0,2,0,0,0,0|1,0,0]=3 18523 B12R0.237 CCCCCCNC(=O)C(C)(C)F 527a_100000210581_100000765255 [0,2,0,0,0,0|1,0,0]=3 18524 B12R0.237 CCCCCCNC(=O)C(C)(C)O 240690a_100000210581_100000242741 [0,2,0,0,0,0|1,0,0]=3 18525 B12R0.237 CCCCCCNC(=O)C(C)(F)F 11a_100000210581_100000042251 [0,2,0,0,0,0|1,0,0]=3 18526 B12R0.237 CCCCCCNC(=O)C(C)(F)F 1626a_100000210581_100000042251 [0,2,0,0,0,0|1,0,0]=3 18527 B12R0.237 CCCCCCNC(=O)C(C)(F)F 240690a_100000210581_100000042251 [0,2,0,0,0,0|1,0,0]=3 18528 B12R0.237 CCCCCCNC(=O)C(C)(F)F 527a_100000210581_100000042251 [0,2,0,0,0,0|1,0,0]=3 18529 B12R0.237 CCCCCCNC(=O)C(F)(F)F 11a_100000210581_100015355933 [0,2,0,0,0,0|2,0,0]=4 18530 B12R0.237 CCCCCCNC(=O)C(F)(F)F 1626a_100000210581_100015355933 [0,2,0,0,0,0|2,0,0]=4 18531 B12R0.237 CCCCCCNC(=O)C(F)(F)F 240690a_100000210581_100015355933 [0,2,0,0,0,0|2,0,0]=4 18532 B12R0.237 CCCCCCNC(=O)C(F)(F)F 527a_100000210581_100000210220 [0,2,0,0,0,0|2,0,0]=4 18533 B12R0.237 CCCCCNNC(=O)C(C)(C)C 22a_100000694160_106744555173 [0,2,0,0,0,0|2,0,0]=4 18534 B12R0.237 CCCCCNNC(=O)C(C)(C)F 22a_100000694160_100000765255 [0,2,0,0,0,0|2,0,0]=4 18535 B12R0.237 CCCCCNNC(=O)C(C)(C)O 22a_100000694160_100000242741 [0,2,0,0,0,0|2,0,0]=4 18536 B12R0.237 CCCCCNNC(=O)C(C)(F)F 22a_100000694160_100000042251 [0,2,0,0,0,0|2,0,0]=4 18537 B12R0.237 CCCCCOCC(=O)C(C)(C)C 34a_100000210253_100000229897 [0,2,0,0,0,0|1,0,0]=3 18538 B12R0.237 CCCCCOCC(=O)C(C)(C)C 34a_200011592769_100000718602 [0,2,0,0,0,0|1,0,0]=3 18539 B12R0.237 CCCCCOCC(=O)C(C)(C)C 7a_100000210253_100000210923 [0,2,0,0,0,0|1,0,0]=3 18540 B12R0.237 CCCCCOCC(=O)C(C)(C)C 7a_200011592769_100000210326 [0,2,0,0,0,0|1,0,0]=3 18541 B12R0.237 CCCCCOCC(=O)C(F)(F)F 34a_100000210253_100000002480 [0,2,0,0,0,0|2,0,0]=4 18542 B12R0.237 CCCCCSCC(=O)C(C)(C)C 62a_100000210326_100000210923 [0,2,0,0,0,0|1,0,0]=3 18543 B12R0.237 CCCCCSCC(=O)C(C)(C)C 62a_100000210923_100000210326 [0,2,0,0,0,0|1,0,0]=3 18544 B12R0.237 CCCCCSCC(=O)C(F)(F)F 62a_100000002480_100000210326 [0,2,0,0,0,0|2,0,0]=4 18545 B12R0.237 CCCCCSCC(=O)C(F)(F)F 62a_100000210326_100000002480 [0,2,0,0,0,0|2,0,0]=4 18546 B12R0.237 CCCCOCCC(=O)C(C)(C)C 1458a_106744555173_100000743108 [0,2,0,0,0,0|1,0,0]=3 18547 B12R0.237 CCCCOCCC(=O)C(C)(C)F 1458a_100000765255_100000743108 [0,2,0,0,0,0|1,0,0]=3 18548 B12R0.237 CCCCOCCC(=O)C(C)(C)O 1458a_100000242741_100000743108 [0,2,0,0,0,0|1,0,0]=3 18549 B12R0.237 CCCCOCCC(=O)C(F)(F)F 1458a_100015355933_100000743108 [0,2,0,0,0,0|2,0,0]=4 18550 B12R0.237 CCCCSCOC(=O)C(C)(C)C 62a_100000032063_100000210210 [0,2,0,0,0,0|2,0,0]=4 18551 B12R0.237 CCCCSCOC(=O)C(C)(C)C 62a_100000210211_100000032063 [0,2,0,0,0,0|2,0,0]=4 18552 B12R0.237 CCCOCCNC(=O)C(C)(C)C 1626a_100161115042_106744555173 [0,2,0,0,0,0|2,0,0]=4 18553 B12R0.237 CCCOCCNC(=O)C(C)(C)C 240690a_100161115042_106744555173 [0,2,0,0,0,0|2,0,0]=4 18554 B12R0.237 CCCOCCNC(=O)C(C)(C)C 527a_100161115042_106744555173 [0,2,0,0,0,0|2,0,0]=4 18555 B12R0.237 CCCOCCNC(=O)C(C)(C)F 1626a_100161115042_100000765255 [0,2,0,0,0,0|2,0,0]=4 18556 B12R0.237 CCCOCCNC(=O)C(C)(C)F 240690a_100161115042_100000765255 [0,2,0,0,0,0|2,0,0]=4 18557 B12R0.237 CCCOCCNC(=O)C(C)(C)F 527a_100161115042_100000765255 [0,2,0,0,0,0|2,0,0]=4 18558 B12R0.237 CCCOCCNC(=O)C(C)(C)O 240690a_100161115042_100000242741 [0,2,0,0,0,0|2,0,0]=4 18559 B12R0.237 CCCOCCNC(=O)C(C)(F)F 1626a_100161115042_100000042251 [0,2,0,0,0,0|2,0,0]=4 18560 B12R0.237 CCCOCCNC(=O)C(C)(F)F 240690a_100161115042_100000042251 [0,2,0,0,0,0|2,0,0]=4 18561 B12R0.237 CCCOCCNC(=O)C(C)(F)F 527a_100161115042_100000042251 [0,2,0,0,0,0|2,0,0]=4 18562 B12R0.237 CCCOCCOC(=O)C(C)(C)Br 34a_100009817195_100000210303 [0,2,0,0,0,0|2,0,0]=4 18563 B12R0.237 CCCOCCOC(=O)C(C)(C)Br 7a_100009817195_100000210303 [0,2,0,0,0,0|2,0,0]=4 18564 B12R0.237 CCCSCCNC(=O)C(C)(C)C 11a_100020603323_106744555173 [0,2,0,0,0,0|2,0,0]=4 18565 B12R0.237 CCCSCCNC(=O)C(C)(C)C 240690a_100020603323_106744555173 [0,2,0,0,0,0|2,0,0]=4 18566 B12R0.237 CCCSCCNC(=O)C(C)(C)C 527a_100020603323_106744555173 [0,2,0,0,0,0|2,0,0]=4 18567 B12R0.237 CCCSCCNC(=O)C(C)(C)F 11a_100020603323_100000765255 [0,2,0,0,0,0|2,0,0]=4 18568 B12R0.237 CCCSCCNC(=O)C(C)(C)F 240690a_100020603323_100000765255 [0,2,0,0,0,0|2,0,0]=4 18569 B12R0.237 CCCSCCNC(=O)C(C)(C)F 527a_100020603323_100000765255 [0,2,0,0,0,0|2,0,0]=4 18570 B12R0.237 CCCSCCNC(=O)C(C)(C)O 240690a_100020603323_100000242741 [0,2,0,0,0,0|2,0,0]=4 18571 B12R0.237 CCCSCCNC(=O)C(C)(F)F 11a_100020603323_100000042251 [0,2,0,0,0,0|2,0,0]=4 18572 B12R0.237 CCCSCCNC(=O)C(C)(F)F 240690a_100020603323_100000042251 [0,2,0,0,0,0|2,0,0]=4 18573 B12R0.237 CCCSCCNC(=O)C(C)(F)F 527a_100020603323_100000042251 [0,2,0,0,0,0|2,0,0]=4 18574 B12R0.237 CCOCCCNC(=O)C(C)(C)C 11a_100000210961_106744555173 [0,2,0,0,0,0|2,0,0]=4 18575 B12R0.237 CCOCCCNC(=O)C(C)(C)C 1626a_100000210961_106744555173 [0,2,0,0,0,0|2,0,0]=4 18576 B12R0.237 CCOCCCNC(=O)C(C)(C)C 240690a_100000210961_106744555173 [0,2,0,0,0,0|2,0,0]=4 18577 B12R0.237 CCOCCCNC(=O)C(C)(C)C 527a_100000210961_106744555173 [0,2,0,0,0,0|2,0,0]=4 18578 B12R0.237 CCOCCCNC(=O)C(C)(C)F 11a_100000210961_100000765255 [0,2,0,0,0,0|2,0,0]=4 18579 B12R0.237 CCOCCCNC(=O)C(C)(C)F 1626a_100000210961_100000765255 [0,2,0,0,0,0|2,0,0]=4 18580 B12R0.237 CCOCCCNC(=O)C(C)(C)F 240690a_100000210961_100000765255 [0,2,0,0,0,0|2,0,0]=4 18581 B12R0.237 CCOCCCNC(=O)C(C)(C)F 527a_100000210961_100000765255 [0,2,0,0,0,0|2,0,0]=4 18582 B12R0.237 CCOCCCNC(=O)C(C)(C)O 240690a_100000210961_100000242741 [0,2,0,0,0,0|2,0,0]=4 18583 B12R0.237 CCOCCCNC(=O)C(C)(F)F 11a_100000210961_100000042251 [0,2,0,0,0,0|2,0,0]=4 18584 B12R0.237 CCOCCCNC(=O)C(C)(F)F 1626a_100000210961_100000042251 [0,2,0,0,0,0|2,0,0]=4 18585 B12R0.237 CCOCCCNC(=O)C(C)(F)F 240690a_100000210961_100000042251 [0,2,0,0,0,0|2,0,0]=4 18586 B12R0.237 CCOCCCNC(=O)C(C)(F)F 527a_100000210961_100000042251 [0,2,0,0,0,0|2,0,0]=4 18587 B12R0.237 CCOCCNCC(=O)C(C)(C)C 34a_102516460346_100000229897 [0,2,0,0,0,0|2,0,0]=4 18588 B12R0.237 CCOCCOCC(=O)C(C)(C)C 34a_100000210136_100000229897 [0,2,0,0,0,0|2,0,0]=4 18589 B12R0.237 CCOCCOCC(=O)C(C)(C)C 34a_200011592769_100000210147 [0,2,0,0,0,0|2,0,0]=4 18590 B12R0.237 CCOCCOCC(=O)C(C)(C)C 7a_100000210136_100000210923 [0,2,0,0,0,0|2,0,0]=4 18591 B12R0.237 CCOCCOCC(=O)C(C)(C)C 7a_200011592769_100011215890 [0,2,0,0,0,0|2,0,0]=4 18592 B12R0.237 CCOCCSCC(=O)C(C)(C)C 62a_100000210147_100000210923 [0,2,0,0,0,0|2,0,0]=4 18593 B12R0.237 CCOCCSCC(=O)C(C)(C)C 62a_100000210923_100011215890 [0,2,0,0,0,0|2,0,0]=4 18594 B12R0.237 CCSCCOCC(=O)C(C)(C)C 34a_100000212035_100000229897 [0,2,0,0,0,0|2,0,0]=4 18595 B12R0.237 CCSCCOCC(=O)C(C)(C)C 34a_200011592769_100000757381 [0,2,0,0,0,0|2,0,0]=4 18596 B12R0.237 CCSCCOCC(=O)C(C)(C)C 7a_100000212035_100000210923 [0,2,0,0,0,0|2,0,0]=4 18597 B12R0.237 CCSCCOCC(=O)C(C)(C)C 7a_200011592769_100000757381 [0,2,0,0,0,0|2,0,0]=4 18598 B12R0.237 CCSCCSCC(=O)C(C)(C)C 62a_100000210923_100000757381 [0,2,0,0,0,0|2,0,0]=4 18599 B12R0.237 CCSCCSCC(=O)C(C)(C)C 62a_100000757381_100000210923 [0,2,0,0,0,0|2,0,0]=4 18600 B12R0.237 CNCCCCCC(=O)C(F)(F)F 2230a_106832991635_200160481834 [0,2,0,0,0,0|2,0,0]=4 18601 B12R0.237 CNCCCCCC(=O)C(F)(F)F 34a_100102657272_200160481834 [0,2,0,0,0,0|2,0,0]=4 18602 B12R0.237 CNCCCCCC(=O)C(F)(F)F 7a_106832991635_200160481834 [0,2,0,0,0,0|2,0,0]=4 18603 B12R0.237 CNCCCOCC(=O)C(C)(C)C 34a_100000213112_100000229897 [0,2,0,0,0,0|2,0,0]=4 18604 B12R0.237 COCCCCCC(=O)C(F)(F)F 1458a_100011935119_200000243211 [0,2,0,0,0,0|2,0,0]=4 18605 B12R0.237 COCCCCCC(=O)C(F)(F)F 34a_100138415774_200160481834 [0,2,0,0,0,0|2,0,0]=4 18606 B12R0.237 COCCCNCC(=O)C(C)(C)C 34a_100150723488_100000229897 [0,2,0,0,0,0|2,0,0]=4 18607 B12R0.237 COCCCOCC(=O)C(C)(C)C 34a_100000740835_100000229897 [0,2,0,0,0,0|2,0,0]=4 18608 B12R0.237 COCCCOCC(=O)C(C)(C)C 34a_200011592769_100000740836 [0,2,0,0,0,0|2,0,0]=4 18609 B12R0.237 COCCCOCC(=O)C(C)(C)C 7a_200011592769_100000740836 [0,2,0,0,0,0|2,0,0]=4 18610 B12R0.237 COCCCSCC(=O)C(C)(C)C 62a_100000210923_100000709357 [0,2,0,0,0,0|2,0,0]=4 18611 B12R0.237 COCCCSCC(=O)C(C)(C)C 62a_100000709357_100000210923 [0,2,0,0,0,0|2,0,0]=4 18612 B12R0.237 COCCOCCC(=O)C(C)(C)C 1458a_106744555173_100000695917 [0,2,0,0,0,0|2,0,0]=4 18613 B12R0.237 COCCOCCC(=O)C(C)(C)F 1458a_100000765255_100000695917 [0,2,0,0,0,0|2,0,0]=4 18614 B12R0.237 COCCOCCC(=O)C(C)(C)O 1458a_100000242741_100000695917 [0,2,0,0,0,0|2,0,0]=4 18615 B12R0.237 CSCCCCCC(=O)C(F)(F)F 62a_200000210301_200160481834 [0,2,0,0,0,0|2,0,0]=4 18616 B12R0.237 CSCCCCCC(=O)C(F)(F)F 62a_200160481834_200000210301 [0,2,0,0,0,0|2,0,0]=4 18617 B12R0.237 CSCCCOCC(=O)C(C)(C)C 34a_100000690336_100000229897 [0,2,0,0,0,0|2,0,0]=4 18618 B12R0.237 CSCCCOCC(=O)C(C)(C)C 7a_100000690336_100000210923 [0,2,0,0,0,0|2,0,0]=4 18619 B12R0.237 O=C(CCCCCCF)C(F)(F)F 1458a_100015355933_100015922095 [0,2,0,0,0,0|2,0,0]=4 18620 B12R0.237 O=C(CCCCCCO)C(F)(F)F 1458a_100011996774_200000243211 [0,2,0,0,0,0|2,0,0]=4 18621 B12R0.237 O=C(CCCCCCO)C(F)(F)F 1458a_100015355933_100000766143 [0,2,0,0,0,0|2,0,0]=4 18622 B12R0.237 [13CH3]SCCCCCC(=O)C(F)(F)F 62a_200025704644_200160481834 [0,2,0,0,0,0|2,0,0]=4 18623 B12R0.237 [13CH3]SCCCCCC(=O)C(F)(F)F 62a_200160481834_200025704644 [0,2,0,0,0,0|2,0,0]=4 18624 B12R0.237 [2H]C([2H])([2H])C(=O)NCCCCCC 11a_100000210581_200015216371 [0,2,0,0,0,0|2,0,0]=4 18625 B12R0.237 [2H]C([2H])([2H])C(=O)NCCCCCC 1626a_100000210581_200015216371 [0,2,0,0,0,0|2,0,0]=4 18626 B12R0.237 [2H]C([2H])([2H])C(=O)NCCCCCC 240690a_100000210581_200015216371 [0,2,0,0,0,0|2,0,0]=4 18627 B12R0.237 [2H]C([2H])([2H])C(=O)NCCCCCC 527a_100000210581_200015216371 [0,2,0,0,0,0|2,0,0]=4 18628 B12R0.279 CC(CCN)COCC(=O)C(C)C 34a_106354213184_100000753385 [0,2,0,0,0,0|2,0,0]=4 18629 B12R0.279 CCCC(=O)CCCC(=O)N(C)C 1458a_100000211992_100000737642 [0,2,0,0,0,0|1,0,1]=4 18630 B12R0.279 CCCC(=O)CSCC(=O)C(C)C 62a_100000747444_100000753385 [0,2,0,0,0,0|1,0,1]=4 18631 B12R0.279 CCCC(=O)CSCC(=O)C(C)C 62a_100000753385_100000747444 [0,2,0,0,0,0|1,0,1]=4 18632 B12R0.279 CCCC(C)CNCC(=O)N(C)C 2230a_100015183351_100011216630 [0,2,0,0,0,0|2,0,0]=4 18633 B12R0.279 CCCC(C)CNCC(=O)N(C)C 270004a_100015183351_100000243154 [0,2,0,0,0,0|2,0,0]=4 18634 B12R0.279 CCCC(C)COCC(=O)C(=O)C 34a_100000688023_100011261029 [0,2,0,0,0,0|1,0,1]=4 18635 B12R0.279 CCCC(C)COCC(=O)C(C)C 34a_100000688023_100000753385 [0,2,0,0,0,0|1,0,0]=3 18636 B12R0.279 CCCC(C)COCC(=O)C(C)C 7a_100000688023_100000753385 [0,2,0,0,0,0|1,0,0]=3 18637 B12R0.279 CCCC(C)COCC(=O)N(C)C 34a_100000688023_100000692301 [0,2,0,0,0,0|2,0,0]=4 18638 B12R0.279 CCCC(C)COCC(=O)N(C)C 7a_100000688023_100000692301 [0,2,0,0,0,0|2,0,0]=4 18639 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011216630_100011261029 [0,2,0,0,0,0|1,0,1]=4 18640 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011261029_100011216630 [0,2,0,0,0,0|1,0,1]=4 18641 B12R0.279 CCCC(C)CSCC(=O)C(C)C 62a_100000753385_100011216630 [0,2,0,0,0,0|1,0,0]=3 18642 B12R0.279 CCCC(C)CSCC(=O)C(C)C 62a_100011216630_100000753385 [0,2,0,0,0,0|1,0,0]=3 18643 B12R0.279 CCCC(C)CSCC(=O)N(C)C 62a_100000692301_100011216630 [0,2,0,0,0,0|2,0,0]=4 18644 B12R0.279 CCCC(C)CSCC(=O)N(C)C 62a_100011216630_100000692301 [0,2,0,0,0,0|2,0,0]=4 18645 B12R0.279 CCCC(C)NCCC(=O)N(C)C 2230a_100000738053_100000766640 [0,2,0,0,0,0|2,0,0]=4 18646 B12R0.279 CCCC(C)NCCC(=O)N(C)C 2230a_100000741246_100000737620 [0,2,0,0,0,0|2,0,0]=4 18647 B12R0.279 CCCC(C)NCCC(=O)N(C)C 270004a_100000738053_100000211909 [0,2,0,0,0,0|2,0,0]=4 18648 B12R0.279 CCCC(C)OCCC(=O)N(C)C 34a_200000747469_100000766640 [0,2,0,0,0,0|2,0,0]=4 18649 B12R0.279 CCCC(C)OCCC(=O)N(C)C 7a_100000764384_100000737620 [0,2,0,0,0,0|2,0,0]=4 18650 B12R0.279 CCCC(C)SCCC(=O)N(C)C 62a_100000737620_100000766640 [0,2,0,0,0,0|2,0,0]=4 18651 B12R0.279 CCCC(C)SCCC(=O)N(C)C 62a_100000766640_100000737620 [0,2,0,0,0,0|2,0,0]=4 18652 B12R0.279 CCCC(C)SCOC(=O)C(C)C 62a_100000139345_100000766640 [0,2,0,0,0,0|2,0,0]=4 18653 B12R0.279 CCCC(C)SCOC(=O)C(C)C 62a_100000766640_100000139345 [0,2,0,0,0,0|2,0,0]=4 18654 B12R0.279 CCCN(C)CCCC(=O)N(C)C 2230a_100000747261_100000737642 [0,2,0,0,0,0|2,0,0]=4 18655 B12R0.279 CCCN(C)CCCC(=O)N(C)C 269982a_100000747261_100000737642 [0,2,0,0,0,0|2,0,0]=4 18656 B12R0.279 CCC[C@H](N)COCC(=O)C(=O)C 34a_100000732646_100011261029 [0,2,0,0,0,0|1,0,1]=4 18657 B12R0.279 CCC[C@H](N)COCC(=O)C(C)C 34a_100000732646_100000753385 [0,2,0,0,0,0|1,0,0]=3 18658 B12R0.279 CCC[C@H](N)COCC(=O)N(C)C 34a_100000732646_100000692301 [0,2,0,0,0,0|2,0,0]=4 18659 B12R0.279 CCNC(=O)CCCC(=O)C(C)C 1458a_100000199580_100000210206 [0,2,0,0,0,0|1,0,1]=4 18660 B12R0.279 CCOC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215271 [0,2,0,0,0,0|1,0,1]=4 18661 B12R0.279 CCOC(=O)CCCC(=O)C(C)C 1458a_100000210991_100000210206 [0,2,0,0,0,0|1,0,1]=4 18662 B12R0.279 CCOC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215271 [0,2,0,0,0,0|1,0,1]=4 18663 B12R0.279 CCOC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215271 [0,2,0,0,0,0|1,0,1]=4 18664 B12R0.279 CCOC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215271 [0,2,0,0,0,0|1,0,1]=4 18665 B12R0.279 COCC(N)COCC(=O)C(C)C 34a_100000724102_100000753385 [0,2,0,0,0,0|2,0,0]=4 18666 B12R0.279 COCC(O)CNCC(=O)C(C)C 2230a_100000756049_100000753385 [0,2,0,0,0,0|2,0,0]=4 18667 B12R0.279 COCC(O)CNCC(=O)C(C)C 34a_100000756049_100000753385 [0,2,0,0,0,0|2,0,0]=4 18668 B12R0.279 COCC(O)CSCC(=O)C(C)C 62a_100000753385_100011215053 [0,2,0,0,0,0|2,0,0]=4 18669 B12R0.279 COCC(O)CSCC(=O)C(C)C 62a_100011215053_100000753385 [0,2,0,0,0,0|2,0,0]=4 18670 B12R0.6 CCCCC(=O)CCS(=O)(=O)CC 1458a_100000210183_100000756660 [0,2,0,0,0,0|1,0,1]=4 18671 B12R0.6 CCCCN(C)CCS(=O)(=O)CC 2230a_100000207549_100000756660 [0,2,0,0,0,0|2,0,0]=4 18672 B12R0.6 CCCCN(C)CCS(=O)(=O)CC 2230a_100000694288_100000210211 [0,2,0,0,0,0|2,0,0]=4 18673 B12R0.6 CCCCN(C)CCS(=O)(=O)CC 269982a_100000207549_100000756660 [0,2,0,0,0,0|2,0,0]=4 18674 B12R0.6 CCCCN(C)CCS(=O)(=O)CC 269982a_100000694288_100000210211 [0,2,0,0,0,0|2,0,0]=4 18675 B12R0.6 CCCCN(C)CCS(=O)(=O)CC 34a_100000694288_100000210210 [0,2,0,0,0,0|2,0,0]=4 18676 B12R0.131 CCC(=O)COCCC(C)(C)OC 7a_100000699976_100000747405 [0,2,0,0,0,0|2,0,0]=4 18677 B12R0.131 CCC(=O)COCCS(=O)(=O)CC 34a_100000725409_100000756660 [0,2,0,0,0,0|2,0,0]=4 18678 B12R0.131 CCC(=O)COCCS(=O)(=O)CC 7a_200011216379_100000747405 [0,2,0,0,0,0|2,0,0]=4 18679 B12R0.131 CCC(=O)CSCCS(=O)(=O)CC 62a_100000747405_100000756660 [0,2,0,0,0,0|2,0,0]=4 18680 B12R0.131 CCC(=O)CSCCS(=O)(=O)CC 62a_100000756660_100000747405 [0,2,0,0,0,0|2,0,0]=4 18681 B12R0.131 CCC(=O)NCCCC(C)(C)CO 240690a_100000039164_100000210414 [0,2,0,0,0,0|2,0,0]=4 18682 B12R0.131 CCC(=O)NCCCC(C)(C)CO 527a_100000039164_100000210414 [0,2,0,0,0,0|2,0,0]=4 18683 B12R0.131 CCC(=O)NCCOC(C)(C)CC 7a_200000158885_100000210677 [0,2,0,0,0,0|2,0,0]=4 18684 B12R0.131 CCC(=O)OCCOC(C)(C)CC 7a_200000031056_100000210677 [0,2,0,0,0,0|2,0,0]=4 18685 B12R0.131 CCC(C)(C)COCCC(=O)NC 7a_100000765029_100000737683 [0,2,0,0,0,0|2,0,0]=4 18686 B12R0.131 CCC(C)(C)COCCC(=O)OC 7a_100000765029_100000204255 [0,2,0,0,0,0|2,0,0]=4 18687 B12R0.131 CCC(C)(C)NCCCC(=O)NC 2230a_100000211385_100000741757 [0,2,0,0,0,0|2,0,0]=4 18688 B12R0.131 CCC(C)(C)NCCCC(=O)OC 2230a_100000211385_100011218270 [0,2,0,0,0,0|2,0,0]=4 18689 B12R0.131 CCC(C)(C)OCCCC(=O)NC 7a_100000210230_100000741757 [0,2,0,0,0,0|2,0,0]=4 18690 B12R0.131 CCC(C)(C)OCCCC(=O)OC 7a_100000210230_100011218270 [0,2,0,0,0,0|2,0,0]=4 18691 B12R0.131 CCC(C)(C)SCCCC(=O)NC 62a_100000032637_100000741757 [0,2,0,0,0,0|2,0,0]=4 18692 B12R0.131 CCC(C)(C)SCCCC(=O)NC 62a_100000741757_100000032637 [0,2,0,0,0,0|2,0,0]=4 18693 B12R0.131 CCC(C)(C)SCCCC(=O)OC 62a_100000032637_100011218270 [0,2,0,0,0,0|2,0,0]=4 18694 B12R0.131 CCC(C)(C)SCCCC(=O)OC 62a_100011218270_100000032637 [0,2,0,0,0,0|2,0,0]=4 18695 B12R0.131 CCC(C)CNCCS(=O)(=O)CC 2230a_100000751051_100000748023 [0,2,0,0,0,0|2,0,0]=4 18696 B12R0.131 CCC(C)CNCCS(=O)(=O)CC 2230a_100020588543_100000756660 [0,2,0,0,0,0|2,0,0]=4 18697 B12R0.131 CCC(C)CNCCS(=O)(=O)CC 270004a_100000751051_100000243153 [0,2,0,0,0,0|2,0,0]=4 18698 B12R0.131 CCC(C)CNCCS(=O)(=O)CC 34a_100000751051_100000748023 [0,2,0,0,0,0|2,0,0]=4 18699 B12R0.131 CCC(C)COCCS(=O)(=O)CC 34a_200011216379_100000748023 [0,2,0,0,0,0|2,0,0]=4 18700 B12R0.131 CCC(C)COCCS(=O)(=O)CC 7a_200011216379_100000748023 [0,2,0,0,0,0|2,0,0]=4 18701 B12R0.131 CCC(C)CSCCS(=O)(=O)CC 62a_100000748023_100000756660 [0,2,0,0,0,0|2,0,0]=4 18702 B12R0.131 CCC(C)CSCCS(=O)(=O)CC 62a_100000756660_100000748023 [0,2,0,0,0,0|2,0,0]=4 18703 B12R0.131 CCC(O)CNCCS(=O)(=O)CC 2230a_100000751051_100011218378 [0,2,0,0,0,0|2,0,0]=4 18704 B12R0.131 CCC(O)CNCCS(=O)(=O)CC 2230a_100011218483_100000756660 [0,2,0,0,0,0|2,0,0]=4 18705 B12R0.131 CCC(O)CNCCS(=O)(=O)CC 34a_100000751051_100011218378 [0,2,0,0,0,0|2,0,0]=4 18706 B12R0.131 CCC(O)COCCS(=O)(=O)CC 34a_200011216379_100011218378 [0,2,0,0,0,0|2,0,0]=4 18707 B12R0.131 CCC(O)COCCS(=O)(=O)CC 7a_200011216379_100011218378 [0,2,0,0,0,0|2,0,0]=4 18708 B12R0.131 CCC(O)CSCCS(=O)(=O)CC 62a_100000756660_100011218378 [0,2,0,0,0,0|2,0,0]=4 18709 B12R0.131 CCC(O)CSCCS(=O)(=O)CC 62a_100011218378_100000756660 [0,2,0,0,0,0|2,0,0]=4 18710 B12R0.131 CC[C@H](C)CNCCS(=O)(=O)CC 2230a_100000751051_100009816398 [0,2,0,0,0,0|2,0,0]=4 18711 B12R0.131 CC[C@H](C)CNCCS(=O)(=O)CC 34a_100000751051_100009816398 [0,2,0,0,0,0|2,0,0]=4 18712 B12R0.131 CC[C@H](C)COCCS(=O)(=O)CC 34a_200011216379_100009816398 [0,2,0,0,0,0|2,0,0]=4 18713 B12R0.131 CC[C@H](C)COCCS(=O)(=O)CC 7a_100009816381_100000756660 [0,2,0,0,0,0|2,0,0]=4 18714 B12R0.131 CC[C@H](C)COCCS(=O)(=O)CC 7a_200011216379_100009816398 [0,2,0,0,0,0|2,0,0]=4 18715 B12R0.131 CC[C@H](C)CSCCS(=O)(=O)CC 62a_100000756660_100009816398 [0,2,0,0,0,0|2,0,0]=4 18716 B12R0.131 CC[C@H](C)CSCCS(=O)(=O)CC 62a_100009816398_100000756660 [0,2,0,0,0,0|2,0,0]=4 18717 B12R0.210 CCS(=O)(=O)CCNCCC(C)C 2230a_100000751051_100000210312 [0,2,0,0,0,0|2,0,0]=4 18718 B12R0.210 CCS(=O)(=O)CCNCCC(C)C 269862a_100000751051_100000185833 [0,2,0,0,0,0|2,0,0]=4 18719 B12R0.210 CCS(=O)(=O)CCNCCC(C)C 34a_100000751051_100000210312 [0,2,0,0,0,0|2,0,0]=4 18720 B12R0.210 CCS(=O)(=O)CCNCCC(C)O 2230a_100000751051_100012276601 [0,2,0,0,0,0|2,0,0]=4 18721 B12R0.210 CCS(=O)(=O)CCNCCC(C)O 2230a_200000755665_100000756660 [0,2,0,0,0,0|2,0,0]=4 18722 B12R0.210 CCS(=O)(=O)CCNCCC(C)O 34a_100000751051_100012276601 [0,2,0,0,0,0|2,0,0]=4 18723 B12R0.210 CCS(=O)(=O)CCOCCC(C)Br 34a_100009893172_100000756660 [0,2,0,0,0,0|2,0,0]=4 18724 B12R0.210 CCS(=O)(=O)CCOCCC(C)C 34a_100000210254_100000756660 [0,2,0,0,0,0|2,0,0]=4 18725 B12R0.210 CCS(=O)(=O)CCOCCC(C)C 34a_200011216379_100000210312 [0,2,0,0,0,0|2,0,0]=4 18726 B12R0.210 CCS(=O)(=O)CCOCCC(C)C 7a_100000210254_100000756660 [0,2,0,0,0,0|2,0,0]=4 18727 B12R0.210 CCS(=O)(=O)CCOCCC(C)C 7a_200011216379_100000210626 [0,2,0,0,0,0|2,0,0]=4 18728 B12R0.210 CCS(=O)(=O)CCOCCC(C)O 34a_200011216379_100012276601 [0,2,0,0,0,0|2,0,0]=4 18729 B12R0.210 CCS(=O)(=O)CCOCCC(C)O 7a_200011216379_100012276601 [0,2,0,0,0,0|2,0,0]=4 18730 B12R0.210 CCS(=O)(=O)CCOCC[C@@H](C)N 34a_100000706166_100000756660 [0,2,0,0,0,0|2,0,0]=4 18731 B12R0.210 CCS(=O)(=O)CCSCCC(C)C 62a_100000210312_100000756660 [0,2,0,0,0,0|2,0,0]=4 18732 B12R0.210 CCS(=O)(=O)CCSCCC(C)C 62a_100000756660_100000210312 [0,2,0,0,0,0|2,0,0]=4 18733 B12R0.210 CCS(=O)(=O)CCSCCC(C)O 62a_100000756660_100012276601 [0,2,0,0,0,0|2,0,0]=4 18734 B12R0.210 CCS(=O)(=O)CCSCCC(C)O 62a_100012276601_100000756660 [0,2,0,0,0,0|2,0,0]=4 18735 B12R0.318 CCCCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210326 [0,2,0,0,0,0|1,0,1]=4 18736 B12R0.318 CCCCCC(C)NS(=O)(=O)CC 270084a_100000211957_100000211323 [0,2,0,0,0,0|2,0,0]=4 18737 B12R0.318 CCCCCC(C)NS(=O)(=O)CC 274078a_100000211957_100000211323 [0,2,0,0,0,0|2,0,0]=4 18738 B12R0.318 CCCCCC(C)NS(=O)(=O)CC 40a_100000211957_100000053943 [0,2,0,0,0,0|2,0,0]=4 18739 B12R0.324 CCCCCCN(C)S(=O)(=O)CC 270084a_106256046315_100000211323 [0,2,0,0,0,0|2,0,0]=4 18740 B12R0.324 CCCCCCN(C)S(=O)(=O)CC 274078a_106256046315_100000211323 [0,2,0,0,0,0|2,0,0]=4 18741 B12R0.324 CCCCCCN(C)S(=O)(=O)CC 40a_106256046315_100000053943 [0,2,0,0,0,0|2,0,0]=4 18742 B12R0.573 CCCC(C)NCCS(=O)(=O)CC 2230a_100000741246_100000756660 [0,2,0,0,0,0|2,0,0]=4 18743 B12R0.573 CCCC(C)NCCS(=O)(=O)CC 2230a_100000751051_100000766640 [0,2,0,0,0,0|2,0,0]=4 18744 B12R0.573 CCCC(C)NCCS(=O)(=O)CC 270004a_100000751051_100000211909 [0,2,0,0,0,0|2,0,0]=4 18745 B12R0.573 CCCC(C)NCCS(=O)(=O)CC 34a_100000751051_100000766640 [0,2,0,0,0,0|2,0,0]=4 18746 B12R0.573 CCCC(C)OCCS(=O)(=O)CC 34a_100000764384_100000756660 [0,2,0,0,0,0|2,0,0]=4 18747 B12R0.573 CCCC(C)OCCS(=O)(=O)CC 34a_200011216379_100000766640 [0,2,0,0,0,0|2,0,0]=4 18748 B12R0.573 CCCC(C)OCCS(=O)(=O)CC 7a_100000764384_100000756660 [0,2,0,0,0,0|2,0,0]=4 18749 B12R0.573 CCCC(C)OCCS(=O)(=O)CC 7a_200011216379_100000766640 [0,2,0,0,0,0|2,0,0]=4 18750 B12R0.573 CCCC(C)SCCS(=O)(=O)CC 62a_100000756660_100000766640 [0,2,0,0,0,0|2,0,0]=4 18751 B12R0.573 CCCC(C)SCCS(=O)(=O)CC 62a_100000766640_100000756660 [0,2,0,0,0,0|2,0,0]=4 18752 B12R0.134 CCC(=O)C(C)OC(C)CCCCl 7a_200000718107_100000742827 [0,2,0,0,0,0|2,0,0]=4 18753 B12R0.134 CCCCC(C)NC(C)C(=O)CC 2230a_100000126638_100000742827 [0,2,0,0,0,0|1,0,0]=3 18754 B12R0.134 CCCCC(C)NC(C)C(=O)NC 2230a_100000126638_100000731044 [0,2,0,0,0,0|2,0,0]=4 18755 B12R0.134 CCCCC(C)NC(C)C(=O)OC 2230a_100000126638_100000211248 [0,2,0,0,0,0|2,0,0]=4 18756 B12R0.134 CCCCC(C)NC(F)C(=O)NC 2230a_100000126638_100009813575 [0,2,0,0,0,0|2,0,0]=4 18757 B12R0.134 CCCCC(C)N[C@H](C)C(=O)NC 2230a_100000684985_200011215066 [0,2,0,0,0,0|2,0,0]=4 18758 B12R0.134 CCCCC(C)N[C@H](C)C(=O)NC 34a_100000684985_200011215066 [0,2,0,0,0,0|2,0,0]=4 18759 B12R0.134 CCCCC(C)OC(C)C(=O)CC 7a_100000687866_100000742827 [0,2,0,0,0,0|1,0,0]=3 18760 B12R0.134 CCCCC(C)OC(C)C(=O)NC 34a_100000687866_100000731044 [0,2,0,0,0,0|2,0,0]=4 18761 B12R0.134 CCCCC(C)OC(C)C(=O)NC 7a_100000687866_100000209862 [0,2,0,0,0,0|2,0,0]=4 18762 B12R0.134 CCCCC(C)OC(C)C(=O)OC 34a_100000687866_100000211248 [0,2,0,0,0,0|2,0,0]=4 18763 B12R0.134 CCCCC(C)OC(C)C(=O)OC 34a_100011215400_200011215066 [0,2,0,0,0,0|2,0,0]=4 18764 B12R0.134 CCCCC(C)OC(C)C(=O)OC 7a_100000687866_100000211248 [0,2,0,0,0,0|2,0,0]=4 18765 B12R0.134 CCCCC(C)OC(F)C(=O)NC 34a_100000687866_100009813575 [0,2,0,0,0,0|2,0,0]=4 18766 B12R0.134 CCCCC(C)OC(F)C(=O)NC 7a_100000687866_100009813575 [0,2,0,0,0,0|2,0,0]=4 18767 B12R0.134 CCCCC(C)SC(C)C(=O)CC 62a_100000742827_200011215066 [0,2,0,0,0,0|1,0,0]=3 18768 B12R0.134 CCCCC(C)SC(C)C(=O)CC 62a_200011215066_100000742827 [0,2,0,0,0,0|1,0,0]=3 18769 B12R0.134 CCCCC(C)SC(C)C(=O)NC 62a_100000209862_200011215066 [0,2,0,0,0,0|2,0,0]=4 18770 B12R0.134 CCCCC(C)SC(C)C(=O)NC 62a_200011215066_100000731044 [0,2,0,0,0,0|2,0,0]=4 18771 B12R0.134 CCCCC(C)SC(C)C(=O)OC 62a_100000211248_200011215066 [0,2,0,0,0,0|2,0,0]=4 18772 B12R0.134 CCCCC(C)SC(C)C(=O)OC 62a_200011215066_100000211248 [0,2,0,0,0,0|2,0,0]=4 18773 B12R0.134 CCCCC(C)SC(F)C(=O)NC 62a_100009813575_200011215066 [0,2,0,0,0,0|2,0,0]=4 18774 B12R0.134 CCCCC(C)SC(F)C(=O)NC 62a_200011215066_100009813575 [0,2,0,0,0,0|2,0,0]=4 18775 B12R0.134 CCCCN(C)CC(C)C(=O)OC 269982a_100000207549_100000698445 [0,2,0,0,0,0|2,0,0]=4 18776 B12R0.134 CCOCC(C)OC(C)C(=O)CC 7a_100000718985_100000742827 [0,2,0,0,0,0|2,0,0]=4 18777 B12R0.147 CCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747405 [0,2,0,0,0,0|0,0,1]=3 18778 B12R0.147 CCC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000747405 [0,2,0,0,0,0|1,0,1]=4 18779 B12R0.147 CCC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000747405 [0,2,0,0,0,0|1,0,1]=4 18780 B12R0.147 CCC(=O)NCC(=O)CC(C)CC 1458a_100000194589_100000748023 [0,2,0,0,0,0|1,0,1]=4 18781 B12R0.147 CCC(=O)NCC(=O)CC(O)CC 1458a_100000194589_100011218378 [0,2,0,0,0,0|1,0,1]=4 18782 B12R0.147 CCC(=O)NCC(=O)C[C@@H](C)CC 1458a_100000194589_100009816398 [0,2,0,0,0,0|1,0,1]=4 18783 B12R0.147 CCC(=O)NCC(C)CN(C)CC 1626a_100011281616_100000210414 [0,2,0,0,0,0|2,0,0]=4 18784 B12R0.147 CCC(=O)NCC(C)CN(C)CC 240690a_100011281616_100000210414 [0,2,0,0,0,0|2,0,0]=4 18785 B12R0.147 CCC(=O)NCC(C)CN(C)CC 527a_100011281616_100000210414 [0,2,0,0,0,0|2,0,0]=4 18786 B12R0.147 CCC(C)CC(=O)CCC(=O)NC 1458a_100011309844_100000748023 [0,2,0,0,0,0|1,0,1]=4 18787 B12R0.147 CCC(C)CC(=O)CCC(=O)OC 1458a_100000187943_100000748023 [0,2,0,0,0,0|1,0,1]=4 18788 B12R0.147 CCC(C)CC(=O)CCS(=O)CC 1458a_100011387550_100000748023 [0,2,0,0,0,0|1,0,1]=4 18789 B12R0.147 CCC(C)CC(C)NCC(=O)NC 2230a_100000763565_100000183359 [0,2,0,0,0,0|2,0,0]=4 18790 B12R0.147 CCC(C)CC(C)NCC(=O)NC 270004a_100000693194_100011710205 [0,2,0,0,0,0|2,0,0]=4 18791 B12R0.147 CCC(C)CC(C)NCC(=O)OC 2230a_100000763565_100000747449 [0,2,0,0,0,0|2,0,0]=4 18792 B12R0.147 CCC(C)CCC(=O)CC(=O)NC 1458a_100000701222_100000183359 [0,2,0,0,0,0|1,0,1]=4 18793 B12R0.147 CCC(C)CCC(=O)CC(=O)OC 1458a_100000701222_100000747449 [0,2,0,0,0,0|1,0,1]=4 18794 B12R0.147 CCC(C)CN(C)CCC(=O)NC 2230a_100000750875_100000748023 [0,2,0,0,0,0|2,0,0]=4 18795 B12R0.147 CCC(C)CN(C)CCC(=O)NC 2230a_100000753921_100000737683 [0,2,0,0,0,0|2,0,0]=4 18796 B12R0.147 CCC(C)CN(C)CCC(=O)NC 269982a_100000750875_100000748023 [0,2,0,0,0,0|2,0,0]=4 18797 B12R0.147 CCC(C)CN(C)CCC(=O)NC 269982a_100000753921_100000737683 [0,2,0,0,0,0|2,0,0]=4 18798 B12R0.147 CCC(C)CN(C)CCC(=O)NC 270004a_100000750875_100000243153 [0,2,0,0,0,0|2,0,0]=4 18799 B12R0.147 CCC(C)CN(C)CCC(=O)OC 2230a_100000753921_100000204255 [0,2,0,0,0,0|2,0,0]=4 18800 B12R0.147 CCC(C)CN(C)CCC(=O)OC 269982a_100000753921_100000204255 [0,2,0,0,0,0|2,0,0]=4 18801 B12R0.147 CCC(C)CN(C)CCC(=O)OC 269982a_100025711912_100000748023 [0,2,0,0,0,0|2,0,0]=4 18802 B12R0.147 CCC(C)CNC(C)CC(=O)OC 2230a_100020588543_100009817358 [0,2,0,0,0,0|2,0,0]=4 18803 B12R0.147 CCC(C)CSC(C)CC(=O)OC 62a_100000748023_100009817358 [0,2,0,0,0,0|2,0,0]=4 18804 B12R0.147 CCC(C)CSC(C)CC(=O)OC 62a_100009817358_100000748023 [0,2,0,0,0,0|2,0,0]=4 18805 B12R0.147 CCC(C)OC[C@H](O)CC(=O)OC 7a_100000210228_100000754131 [0,2,0,0,0,0|2,0,0]=4 18806 B12R0.147 CCC(C)SC[C@H](O)CC(=O)OC 62a_100000754131_100000758301 [0,2,0,0,0,0|2,0,0]=4 18807 B12R0.147 CCC(C)SC[C@H](O)CC(=O)OC 62a_100000758301_100000754131 [0,2,0,0,0,0|2,0,0]=4 18808 B12R0.147 CCC(O)CC(=O)CCC(=O)NC 1458a_100011309844_100011218378 [0,2,0,0,0,0|1,0,1]=4 18809 B12R0.147 CCC(O)CC(=O)CCC(=O)OC 1458a_100000187943_100011218378 [0,2,0,0,0,0|1,0,1]=4 18810 B12R0.147 CCC(O)CC(=O)CCS(=O)CC 1458a_100011387550_100011218378 [0,2,0,0,0,0|1,0,1]=4 18811 B12R0.147 CCC(O)CN(C)CCC(=O)NC 2230a_100000750875_100011218378 [0,2,0,0,0,0|2,0,0]=4 18812 B12R0.147 CCC(O)CN(C)CCC(=O)NC 269982a_100000750875_100011218378 [0,2,0,0,0,0|2,0,0]=4 18813 B12R0.147 CCC(O)CN(C)CCC(=O)OC 269982a_100025711912_100011218378 [0,2,0,0,0,0|2,0,0]=4 18814 B12R0.147 CCC(O)CNC(C)CC(=O)OC 2230a_100011218483_100009817358 [0,2,0,0,0,0|2,0,0]=4 18815 B12R0.147 CCC(O)CSC(C)CC(=O)OC 62a_100009817358_100011218378 [0,2,0,0,0,0|2,0,0]=4 18816 B12R0.147 CCC(O)CSC(C)CC(=O)OC 62a_100011218378_100009817358 [0,2,0,0,0,0|2,0,0]=4 18817 B12R0.147 CC[C@H](C)CC(=O)CCC(=O)NC 1458a_100011309844_100009816398 [0,2,0,0,0,0|1,0,1]=4 18818 B12R0.147 CC[C@H](C)CC(=O)CCC(=O)OC 1458a_100000187943_100009816398 [0,2,0,0,0,0|1,0,1]=4 18819 B12R0.147 CC[C@H](C)CC(=O)CCS(=O)CC 1458a_100011387550_100009816398 [0,2,0,0,0,0|1,0,1]=4 18820 B12R0.147 CC[C@H](C)CN(C)CCC(=O)NC 2230a_100000750875_100009816398 [0,2,0,0,0,0|2,0,0]=4 18821 B12R0.147 CC[C@H](C)CN(C)CCC(=O)NC 269982a_100000750875_100009816398 [0,2,0,0,0,0|2,0,0]=4 18822 B12R0.147 CC[C@H](C)CN(C)CCC(=O)OC 269982a_100025711912_100009816398 [0,2,0,0,0,0|2,0,0]=4 18823 B12R0.147 CC[C@H](C)COC(C)CC(=O)OC 7a_100009816381_100009817358 [0,2,0,0,0,0|2,0,0]=4 18824 B12R0.147 CC[C@H](C)CSC(C)CC(=O)OC 62a_100009816398_100009817358 [0,2,0,0,0,0|2,0,0]=4 18825 B12R0.147 CC[C@H](C)CSC(C)CC(=O)OC 62a_100009817358_100009816398 [0,2,0,0,0,0|2,0,0]=4 18826 B12R0.189 CCC(=O)CNC(=O)CCC(C)C 1458a_100000205584_100000210202 [0,2,0,0,0,0|1,0,1]=4 18827 B12R0.189 CCC(=O)COC(C)CCC(C)C 34a_100000725409_100011261404 [0,2,0,0,0,0|1,0,0]=3 18828 B12R0.189 CCC(=O)COC(C)CCC(C)C 7a_100011215350_100000747405 [0,2,0,0,0,0|1,0,0]=3 18829 B12R0.189 CCC(=O)CSC(C)CCC(C)C 62a_100000747405_100011261404 [0,2,0,0,0,0|1,0,0]=3 18830 B12R0.189 CCC(=O)CSC(C)CCC(C)C 62a_100011261404_100000747405 [0,2,0,0,0,0|1,0,0]=3 18831 B12R0.189 CCC(=O)NCC(=O)CCC(C)C 1458a_100000194589_100000210312 [0,2,0,0,0,0|1,0,1]=4 18832 B12R0.189 CCC(=O)NCC(=O)CCC(C)O 1458a_100000194589_100012276601 [0,2,0,0,0,0|1,0,1]=4 18833 B12R0.189 CCS(=O)CCC(=O)CCC(C)C 1458a_100011387550_100000210312 [0,2,0,0,0,0|1,0,1]=4 18834 B12R0.189 CCS(=O)CCC(=O)CCC(C)O 1458a_100011387550_100012276601 [0,2,0,0,0,0|1,0,1]=4 18835 B12R0.189 CNC(=O)CCC(=O)CCC(C)C 1458a_100011309844_100000210312 [0,2,0,0,0,0|1,0,1]=4 18836 B12R0.189 CNC(=O)CCC(=O)CCC(C)O 1458a_100011309844_100012276601 [0,2,0,0,0,0|1,0,1]=4 18837 B12R0.189 CNC(=O)CCN(C)CCC(C)C 2230a_100000742789_100000737683 [0,2,0,0,0,0|2,0,0]=4 18838 B12R0.189 CNC(=O)CCN(C)CCC(C)C 2230a_100000750875_100000210312 [0,2,0,0,0,0|2,0,0]=4 18839 B12R0.189 CNC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000737683 [0,2,0,0,0,0|2,0,0]=4 18840 B12R0.189 CNC(=O)CCN(C)CCC(C)C 269982a_100000750875_100000210312 [0,2,0,0,0,0|2,0,0]=4 18841 B12R0.189 CNC(=O)CCN(C)CCC(C)O 2230a_100000750875_100012276601 [0,2,0,0,0,0|2,0,0]=4 18842 B12R0.189 CNC(=O)CCN(C)CCC(C)O 269982a_100000750875_100012276601 [0,2,0,0,0,0|2,0,0]=4 18843 B12R0.189 CNC(=O)CNC(C)CCC(C)C 2230a_100000693194_100011261404 [0,2,0,0,0,0|2,0,0]=4 18844 B12R0.189 CNC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000183359 [0,2,0,0,0,0|2,0,0]=4 18845 B12R0.189 CNC(=O)CNC(C)CCC(C)C 270004a_100000693194_100000210476 [0,2,0,0,0,0|2,0,0]=4 18846 B12R0.189 CNC(=O)COC(C)CCC(C)C 34a_100000750040_100011261404 [0,2,0,0,0,0|2,0,0]=4 18847 B12R0.189 CNC(=O)COC(C)CCC(C)C 34a_100011215350_100000183359 [0,2,0,0,0,0|2,0,0]=4 18848 B12R0.189 CNC(=O)COC(C)CCC(C)C 7a_100011215350_100000183359 [0,2,0,0,0,0|2,0,0]=4 18849 B12R0.189 CNC(=O)CSC(C)CCC(C)C 62a_100000183359_100011261404 [0,2,0,0,0,0|2,0,0]=4 18850 B12R0.189 CNC(=O)CSC(C)CCC(C)C 62a_100011261404_100000183359 [0,2,0,0,0,0|2,0,0]=4 18851 B12R0.189 COC(=O)CCC(=O)CCC(C)C 1458a_100000187943_100000210312 [0,2,0,0,0,0|1,0,1]=4 18852 B12R0.189 COC(=O)CCC(=O)CCC(C)O 1458a_100000187943_100012276601 [0,2,0,0,0,0|1,0,1]=4 18853 B12R0.189 COC(=O)CCN(C)CCC(C)C 2230a_100000742789_100000204255 [0,2,0,0,0,0|2,0,0]=4 18854 B12R0.189 COC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000204255 [0,2,0,0,0,0|2,0,0]=4 18855 B12R0.189 COC(=O)CCN(C)CCC(C)C 269982a_100025711912_100000210312 [0,2,0,0,0,0|2,0,0]=4 18856 B12R0.189 COC(=O)CCN(C)CCC(C)O 269982a_100025711912_100012276601 [0,2,0,0,0,0|2,0,0]=4 18857 B12R0.189 COC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000747449 [0,2,0,0,0,0|2,0,0]=4 18858 B12R0.189 COC(=O)COC(C)CCC(C)C 34a_100011215350_100000747449 [0,2,0,0,0,0|2,0,0]=4 18859 B12R0.189 COC(=O)COC(C)CCC(C)C 7a_100011215350_100000747449 [0,2,0,0,0,0|2,0,0]=4 18860 B12R0.189 COC(=O)CSC(C)CCC(C)C 62a_100000747449_100011261404 [0,2,0,0,0,0|2,0,0]=4 18861 B12R0.189 COC(=O)CSC(C)CCC(C)C 62a_100011261404_100000747449 [0,2,0,0,0,0|2,0,0]=4 18862 B12R0.193 CCCC(C)C(=O)CCC(=O)NC 1458a_100011309844_100000766640 [0,2,0,0,0,0|1,0,1]=4 18863 B12R0.193 CCCC(C)C(=O)CCC(=O)OC 1458a_100000187943_100000766640 [0,2,0,0,0,0|1,0,1]=4 18864 B12R0.193 CCCC(C)C(=O)CCS(=O)CC 1458a_100011387550_100000766640 [0,2,0,0,0,0|1,0,1]=4 18865 B12R0.193 CCCC(C)C(=O)CNC(=O)CC 1458a_100000194589_100000766640 [0,2,0,0,0,0|1,0,1]=4 18866 B12R0.193 CCCC(C)C(C)NCC(=O)NC 270004a_100000693194_100011216282 [0,2,0,0,0,0|2,0,0]=4 18867 B12R0.193 CCCC(C)C(C)OCC(=O)CC 7a_100000708338_100000747405 [0,2,0,0,0,0|1,0,0]=3 18868 B12R0.193 CCCC(C)C(C)OCC(=O)NC 34a_100000708338_100000183359 [0,2,0,0,0,0|2,0,0]=4 18869 B12R0.193 CCCC(C)C(C)OCC(=O)NC 7a_100000708338_100000183359 [0,2,0,0,0,0|2,0,0]=4 18870 B12R0.193 CCCC(C)C(C)OCC(=O)OC 34a_100000708338_100000747449 [0,2,0,0,0,0|2,0,0]=4 18871 B12R0.193 CCCC(C)C(C)OCC(=O)OC 7a_100000708338_100000747449 [0,2,0,0,0,0|2,0,0]=4 18872 B12R0.193 CCCC(C)N(C)CCC(=O)NC 2230a_100000750875_100000766640 [0,2,0,0,0,0|2,0,0]=4 18873 B12R0.193 CCCC(C)N(C)CCC(=O)NC 269982a_100000750875_100000766640 [0,2,0,0,0,0|2,0,0]=4 18874 B12R0.193 CCCC(C)N(C)CCC(=O)NC 270004a_100000750875_100000211909 [0,2,0,0,0,0|2,0,0]=4 18875 B12R0.193 CCCC(C)N(C)CCC(=O)OC 269982a_100025711912_100000766640 [0,2,0,0,0,0|2,0,0]=4 18876 B12R0.216 C#CC(CCCC)OCC(=O)CC 7a_200011217967_100000747405 [0,2,0,0,0,0|1,0,0]=3 18877 B12R0.216 C#CC(CCCC)OCC(=O)NC 34a_200011217967_100000183359 [0,2,0,0,0,0|2,0,0]=4 18878 B12R0.216 C#CC(CCCC)OCC(=O)NC 7a_200011217967_100000183359 [0,2,0,0,0,0|2,0,0]=4 18879 B12R0.216 C#CC(CCCC)OCC(=O)OC 34a_200011217967_100000747449 [0,2,0,0,0,0|2,0,0]=4 18880 B12R0.216 C#CC(CCCC)OCC(=O)OC 7a_200011217967_100000747449 [0,2,0,0,0,0|2,0,0]=4 18881 B12R0.216 C=CC(CCCC)OCC(=O)CC 7a_200011215037_100000747405 [0,2,0,0,0,0|1,0,0]=3 18882 B12R0.216 C=CC(CCCC)OCC(=O)NC 34a_200011215037_100000183359 [0,2,0,0,0,0|2,0,0]=4 18883 B12R0.216 C=CC(CCCC)OCC(=O)NC 7a_200011215037_100000183359 [0,2,0,0,0,0|2,0,0]=4 18884 B12R0.216 C=CC(CCCC)OCC(=O)OC 34a_200011215037_100000747449 [0,2,0,0,0,0|2,0,0]=4 18885 B12R0.216 C=CC(CCCC)OCC(=O)OC 7a_200011215037_100000747449 [0,2,0,0,0,0|2,0,0]=4 18886 B12R0.216 CCCCC(CC)CCC(=O)CC 1458a_100011216959_100000210202 [0,2,0,0,0,0|0,0,0]=2 18887 B12R0.216 CCCCC(CC)CCC(=O)CF 1458a_100011216959_100015361967 [0,2,0,0,0,0|1,0,0]=3 18888 B12R0.216 CCCCC(CC)CCC(=O)NC 11a_106832991635_100011216959 [0,2,0,0,0,0|1,0,0]=3 18889 B12R0.216 CCCCC(CC)CCC(=O)NC 1626a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 18890 B12R0.216 CCCCC(CC)CCC(=O)NC 240690a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 18891 B12R0.216 CCCCC(CC)CCC(=O)NC 527a_100102657272_100011216959 [0,2,0,0,0,0|1,0,0]=3 18892 B12R0.216 CCCCC(CC)CNC(=O)CC 11a_100000209976_100000210414 [0,2,0,0,0,0|1,0,0]=3 18893 B12R0.216 CCCCC(CC)CNC(=O)CC 1626a_100000209976_100000210414 [0,2,0,0,0,0|1,0,0]=3 18894 B12R0.216 CCCCC(CC)CNC(=O)CC 240690a_100000209976_100000210414 [0,2,0,0,0,0|1,0,0]=3 18895 B12R0.216 CCCCC(CC)CNC(=O)CC 527a_100000209976_100000210414 [0,2,0,0,0,0|1,0,0]=3 18896 B12R0.216 CCCCC(CC)CNC(=O)CO 240690a_100000209976_100000210174 [0,2,0,0,0,0|2,0,0]=4 18897 B12R0.216 CCCCC(CC)CNC(=O)CO 527a_100000209976_100000210174 [0,2,0,0,0,0|2,0,0]=4 18898 B12R0.216 CCCCC(CC)CNC(=O)NC 2708a_100000209976_106832991635 [0,2,0,0,0,0|2,0,0]=4 18899 B12R0.216 CCCCC(CC)CNC(=O)NC 2708a_100102657272_100000209976 [0,2,0,0,0,0|2,0,0]=4 18900 B12R0.216 CCCCC(CC)CNC(=O)NC 273464a_100000209976_100102657272 [0,2,0,0,0,0|2,0,0]=4 18901 B12R0.216 CCCCC(CC)CNC(=O)NC 273464a_100102657272_100000209976 [0,2,0,0,0,0|2,0,0]=4 18902 B12R0.216 CCCCC(CC)CNC(=O)NC 512a_100000209976_100102657272 [0,2,0,0,0,0|2,0,0]=4 18903 B12R0.216 CCCCC(CC)CNC(=O)NC 512a_106832991638_100000209976 [0,2,0,0,0,0|2,0,0]=4 18904 B12R0.216 CCCCC(CC)NCC(=O)NC 270004a_100000693194_100000753412 [0,2,0,0,0,0|2,0,0]=4 18905 B12R0.216 CCCCC(CC)OCC(=O)CC 34a_100000725409_200011216223 [0,2,0,0,0,0|1,0,0]=3 18906 B12R0.216 CCCCC(CC)OCC(=O)CC 7a_100011215227_100000747405 [0,2,0,0,0,0|1,0,0]=3 18907 B12R0.216 CCCCC(CC)OCC(=O)NC 34a_100000750040_200011216223 [0,2,0,0,0,0|2,0,0]=4 18908 B12R0.216 CCCCC(CC)OCC(=O)NC 34a_100011215227_100000183359 [0,2,0,0,0,0|2,0,0]=4 18909 B12R0.216 CCCCC(CC)OCC(=O)NC 7a_100011215227_100000183359 [0,2,0,0,0,0|2,0,0]=4 18910 B12R0.216 CCCCC(CC)OCC(=O)OC 34a_100011215227_100000747449 [0,2,0,0,0,0|2,0,0]=4 18911 B12R0.216 CCCCC(CC)OCC(=O)OC 7a_100011215227_100000747449 [0,2,0,0,0,0|2,0,0]=4 18912 B12R0.216 CCCCC(CC)SCC(=O)CC 62a_100000747405_200011216223 [0,2,0,0,0,0|1,0,0]=3 18913 B12R0.216 CCCCC(CC)SCC(=O)CC 62a_200011216223_100000747405 [0,2,0,0,0,0|1,0,0]=3 18914 B12R0.216 CCCCC(CC)SCC(=O)NC 62a_100000183359_200011216223 [0,2,0,0,0,0|2,0,0]=4 18915 B12R0.216 CCCCC(CC)SCC(=O)NC 62a_200011216223_100000183359 [0,2,0,0,0,0|2,0,0]=4 18916 B12R0.216 CCCCC(CC)SCC(=O)OC 62a_100000747449_200011216223 [0,2,0,0,0,0|2,0,0]=4 18917 B12R0.216 CCCCC(CC)SCC(=O)OC 62a_200011216223_100000747449 [0,2,0,0,0,0|2,0,0]=4 18918 B12R0.216 CCCCN(CC)CCC(=O)NC 2230a_100000207695_100000737683 [0,2,0,0,0,0|2,0,0]=4 18919 B12R0.216 CCCCN(CC)CCC(=O)NC 269982a_100000207695_100000737683 [0,2,0,0,0,0|2,0,0]=4 18920 B12R0.216 CCCCN(CC)CCC(=O)OC 2230a_100000207695_100000204255 [0,2,0,0,0,0|2,0,0]=4 18921 B12R0.216 CCCCN(CC)CCC(=O)OC 2230a_100000229097_100000210211 [0,2,0,0,0,0|2,0,0]=4 18922 B12R0.216 CCCCN(CC)CCC(=O)OC 269982a_100000207695_100000204255 [0,2,0,0,0,0|2,0,0]=4 18923 B12R0.216 CCCCN(CC)CCC(=O)OC 269982a_100000229097_100000210211 [0,2,0,0,0,0|2,0,0]=4 18924 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC 2230a_100011934283_100000183359 [0,2,0,0,0,0|2,0,0]=4 18925 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|2,0,0]=4 18926 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC 2230a_100011934283_100000747449 [0,2,0,0,0,0|2,0,0]=4 18927 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|2,0,0]=4 18928 B12R0.252 CCC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000747405 [0,2,0,0,0,0|1,0,1]=4 18929 B12R0.252 CCCCC(=O)C(C)CC(=O)OC 1458a_100000037256_100000210211 [0,2,0,0,0,0|1,0,1]=4 18930 B12R0.252 CCCCC(=O)C(C)NC(=O)CC 1458a_100000194823_100000210211 [0,2,0,0,0,0|1,0,1]=4 18931 B12R0.252 CCCCC(C)C(=O)CC(=O)CC 1458a_100000725509_100000747405 [0,2,0,0,0,0|0,0,1]=3 18932 B12R0.252 CCCCC(C)C(=O)CC(=O)NC 1458a_100000725509_100000183359 [0,2,0,0,0,0|1,0,1]=4 18933 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000211351_200011215066 [0,2,0,0,0,0|1,0,1]=4 18934 B12R0.252 CCCCC(C)C(=O)CC(=O)OC 1458a_100000725509_100000747449 [0,2,0,0,0,0|1,0,1]=4 18935 B12R0.252 CCCCC(C)N(C)CC(=O)NC 2230a_100000189611_200011215066 [0,2,0,0,0,0|2,0,0]=4 18936 B12R0.252 CCCCC(C)N(C)CC(=O)NC 270004a_100000189611_100000210087 [0,2,0,0,0,0|2,0,0]=4 18937 B12R0.252 CCCCC(C)N(C)CC(=O)OC 2230a_100000198492_200011215066 [0,2,0,0,0,0|2,0,0]=4 18938 B12R0.252 CCCCC(C)N(C)CC(=O)OC 270004a_100000198492_100000210087 [0,2,0,0,0,0|2,0,0]=4 18939 B12R0.252 CCCCC(O)C(=O)CC(=O)CC 1458a_100000720857_100000747405 [0,2,0,0,0,0|0,0,1]=3 18940 B12R0.252 CCCCC(O)C(=O)CC(=O)NC 1458a_100000720857_100000183359 [0,2,0,0,0,0|1,0,1]=4 18941 B12R0.252 CCCCC(O)C(=O)CC(=O)OC 1458a_100000720857_100000747449 [0,2,0,0,0,0|1,0,1]=4 18942 B12R0.252 CCCCN(C)C(=O)CC(=O)CC 1458a_100000210414_100000230175 [0,2,0,0,0,0|1,0,1]=4 18943 B12R0.252 CCCCN(C)C(C)CC(=O)NC 2230a_100015186911_100000210211 [0,2,0,0,0,0|2,0,0]=4 18944 B12R0.252 CCCCN(C)C(C)CC(=O)NC 269982a_100015186911_100000210211 [0,2,0,0,0,0|2,0,0]=4 18945 B12R0.252 CCCCN(C)C(C)CC(=O)OC 2230a_100000207549_100009817358 [0,2,0,0,0,0|2,0,0]=4 18946 B12R0.252 CCCCN(C)C(C)CC(=O)OC 269982a_100000207549_100009817358 [0,2,0,0,0,0|2,0,0]=4 18947 B12R0.328 CCC(=O)COC(C)(C)CCCBr 7a_100009888830_100000747405 [0,2,0,0,0,0|2,0,0]=4 18948 B12R0.328 CCCCC(C)(C)OCC(=O)CC 7a_100011219641_100000747405 [0,2,0,0,0,0|1,0,0]=3 18949 B12R0.328 CCCCC(C)(C)OCC(=O)NC 7a_100011219641_100000183359 [0,2,0,0,0,0|2,0,0]=4 18950 B12R0.328 CCCCC(C)(C)OCC(=O)OC 7a_100011219641_100000747449 [0,2,0,0,0,0|2,0,0]=4 18951 B12R0.130 C#CC(CC)OCCCC(=O)NC 34a_100000758843_100000741757 [0,2,0,0,0,0|2,0,0]=4 18952 B12R0.130 C#CC(CC)OCCCC(=O)NC 7a_100000758843_100000741757 [0,2,0,0,0,0|2,0,0]=4 18953 B12R0.130 C#CC(CC)OCCCC(=O)OC 34a_100000758843_100000742333 [0,2,0,0,0,0|2,0,0]=4 18954 B12R0.130 C#CC(CC)OCCCC(=O)OC 7a_100000758843_100011218270 [0,2,0,0,0,0|2,0,0]=4 18955 B12R0.130 C=CC(CC)OCCCC(=O)NC 34a_100000766422_100000741757 [0,2,0,0,0,0|2,0,0]=4 18956 B12R0.130 C=CC(CC)OCCCC(=O)NC 7a_100000766422_100000741757 [0,2,0,0,0,0|2,0,0]=4 18957 B12R0.130 C=CC(CC)OCCCC(=O)OC 34a_100000766422_100000742333 [0,2,0,0,0,0|2,0,0]=4 18958 B12R0.130 C=CC(CC)OCCCC(=O)OC 7a_100000766422_100011218270 [0,2,0,0,0,0|2,0,0]=4 18959 B12R0.130 CCC(=O)COCCC(OC)OC 34a_100000725409_100000139399 [0,2,0,0,0,0|2,0,0]=4 18960 B12R0.130 CCC(=O)COCCN(CC)CC 7a_100016990331_100000747405 [0,2,0,0,0,0|2,0,0]=4 18961 B12R0.130 CCC(=O)CSCCC(OC)OC 62a_100000139399_100000747405 [0,2,0,0,0,0|2,0,0]=4 18962 B12R0.130 CCC(=O)CSCCC(OC)OC 62a_100000747405_100000139399 [0,2,0,0,0,0|2,0,0]=4 18963 B12R0.130 CCC(=O)CSCCN(CC)CC 62a_100000747405_100000700428 [0,2,0,0,0,0|2,0,0]=4 18964 B12R0.130 CCC(=O)NCCCC(OC)OC 11a_100000034021_100000210414 [0,2,0,0,0,0|2,0,0]=4 18965 B12R0.130 CCC(=O)NCCCC(OC)OC 1626a_100000034021_100000210414 [0,2,0,0,0,0|2,0,0]=4 18966 B12R0.130 CCC(=O)NCCCC(OC)OC 240690a_100000034021_100000210414 [0,2,0,0,0,0|2,0,0]=4 18967 B12R0.130 CCC(=O)NCCCC(OC)OC 527a_100000034021_100000210414 [0,2,0,0,0,0|2,0,0]=4 18968 B12R0.130 CCC(=O)NCCCN(CC)CC 1626a_100000211093_100000210414 [0,2,0,0,0,0|2,0,0]=4 18969 B12R0.130 CCC(=O)NCCCN(CC)CC 240690a_100000211093_100000210414 [0,2,0,0,0,0|2,0,0]=4 18970 B12R0.130 CCC(=O)NCCNC(CC)CC 270004a_100132302217_100000210860 [0,2,0,0,0,0|2,0,0]=4 18971 B12R0.130 CCC(=O)NCCOC(CC)CC 7a_200000158885_100000210505 [0,2,0,0,0,0|2,0,0]=4 18972 B12R0.130 CCC(=O)OCCOC(CC)CC 7a_200000031056_100000210505 [0,2,0,0,0,0|2,0,0]=4 18973 B12R0.130 CCC(CC)CNCCC(=O)NC 2230a_100000738227_100011215472 [0,2,0,0,0,0|2,0,0]=4 18974 B12R0.130 CCC(CC)CNCCC(=O)NC 2230a_100102946423_100000737683 [0,2,0,0,0,0|2,0,0]=4 18975 B12R0.130 CCC(CC)CNCCC(=O)NC 269862a_100000738227_100000211137 [0,2,0,0,0,0|2,0,0]=4 18976 B12R0.130 CCC(CC)CNCCC(=O)NC 270004a_100000738227_100000211137 [0,2,0,0,0,0|2,0,0]=4 18977 B12R0.130 CCC(CC)CNCCC(=O)NC 34a_100000738227_100011215472 [0,2,0,0,0,0|2,0,0]=4 18978 B12R0.130 CCC(CC)CNCCC(=O)OC 2230a_100102946423_100000204255 [0,2,0,0,0,0|2,0,0]=4 18979 B12R0.130 CCC(CC)COCCC(=O)NC 34a_100000754576_100011215472 [0,2,0,0,0,0|2,0,0]=4 18980 B12R0.130 CCC(CC)COCCC(=O)NC 7a_100000703878_100000737683 [0,2,0,0,0,0|2,0,0]=4 18981 B12R0.130 CCC(CC)COCCC(=O)OC 7a_100000703878_100000204255 [0,2,0,0,0,0|2,0,0]=4 18982 B12R0.130 CCC(CC)CSCCC(=O)NC 62a_100000737683_100011215472 [0,2,0,0,0,0|2,0,0]=4 18983 B12R0.130 CCC(CC)CSCCC(=O)NC 62a_100011215472_100000737683 [0,2,0,0,0,0|2,0,0]=4 18984 B12R0.130 CCC(CC)CSCCC(=O)OC 62a_100000204255_100011215472 [0,2,0,0,0,0|2,0,0]=4 18985 B12R0.130 CCC(CC)CSCCC(=O)OC 62a_100011215472_100000204255 [0,2,0,0,0,0|2,0,0]=4 18986 B12R0.130 CCC(CC)NCCCC(=O)NC 2230a_100000199018_100000741757 [0,2,0,0,0,0|2,0,0]=4 18987 B12R0.130 CCC(CC)NCCCC(=O)NC 270004a_100000740002_100000210860 [0,2,0,0,0,0|2,0,0]=4 18988 B12R0.130 CCC(CC)NCCCC(=O)OC 2230a_100000199018_100011218270 [0,2,0,0,0,0|2,0,0]=4 18989 B12R0.130 CCC(CC)OCCCC(=O)NC 7a_100000688536_100000741757 [0,2,0,0,0,0|2,0,0]=4 18990 B12R0.130 CCC(CC)OCCCC(=O)OC 7a_100000688536_100011218270 [0,2,0,0,0,0|2,0,0]=4 18991 B12R0.130 CCC(CC)SCCCC(=O)NC 62a_100000210505_100000741757 [0,2,0,0,0,0|2,0,0]=4 18992 B12R0.130 CCC(CC)SCCCC(=O)NC 62a_100000741757_100000210505 [0,2,0,0,0,0|2,0,0]=4 18993 B12R0.130 CCC(CC)SCCCC(=O)OC 62a_100000210505_100011218270 [0,2,0,0,0,0|2,0,0]=4 18994 B12R0.130 CCC(CC)SCCCC(=O)OC 62a_100011218270_100000210505 [0,2,0,0,0,0|2,0,0]=4 18995 B12R0.130 CCC(COCCC(=O)NC)OC 34a_100011934954_100012179268 [0,2,0,0,0,0|2,0,0]=4 18996 B12R0.130 CCC(COCCC(=O)NC)OC 7a_100011934954_100000737683 [0,2,0,0,0,0|2,0,0]=4 18997 B12R0.130 CCC(COCCC(=O)OC)OC 34a_100011934954_100000742370 [0,2,0,0,0,0|2,0,0]=4 18998 B12R0.130 CCC(COCCC(=O)OC)OC 7a_100011934954_100000204255 [0,2,0,0,0,0|2,0,0]=4 18999 B12R0.130 CCN(CC)CCCCC(=O)OC 2230a_100000724800_100000204269 [0,2,0,0,0,0|2,0,0]=4 19000 B12R0.130 CCN(CC)CCCCC(=O)OC 269956a_100000042499_100000204269 [0,2,0,0,0,0|2,0,0]=4 19001 B12R0.130 CCN(CC)CCCCC(=O)OC 269982a_100000724800_100000204269 [0,2,0,0,0,0|2,0,0]=4 19002 B12R0.130 CC[C@@H](CO)NCCCC(=O)NC 2230a_100000709445_100000741757 [0,2,0,0,0,0|2,0,0]=4 19003 B12R0.130 CC[C@@H](CO)NCCCC(=O)OC 2230a_100000709445_100011218270 [0,2,0,0,0,0|2,0,0]=4 19004 B12R0.156 CCC(=O)C(C)NCCC(C)CC 2230a_100020591266_100000742827 [0,2,0,0,0,0|1,0,0]=3 19005 B12R0.156 CCC(=O)C(C)NCCC(C)CO 2230a_106354213184_100000742827 [0,2,0,0,0,0|2,0,0]=4 19006 B12R0.156 CCC(=O)C(C)OCCC(C)CC 7a_100011215188_100000742827 [0,2,0,0,0,0|1,0,0]=3 19007 B12R0.156 CCC(=O)C(C)OCCC(C)OC 7a_100000764861_100000742827 [0,2,0,0,0,0|2,0,0]=4 19008 B12R0.156 CCC(=O)COCC(C)N(C)CC 7a_100000732741_100000747405 [0,2,0,0,0,0|2,0,0]=4 19009 B12R0.156 CCC(=O)NCCC(C)N(C)CC 1626a_100011369392_100000210414 [0,2,0,0,0,0|2,0,0]=4 19010 B12R0.156 CCC(=O)NCCC(C)N(C)CC 240690a_100011369392_100000210414 [0,2,0,0,0,0|2,0,0]=4 19011 B12R0.156 CCC(=O)NCCC(C)N(C)CC 527a_100011369392_100000210414 [0,2,0,0,0,0|2,0,0]=4 19012 B12R0.156 CCC(C)C(=O)CCCC(=O)NC 1458a_100011192722_100000741757 [0,2,0,0,0,0|1,0,1]=4 19013 B12R0.156 CCC(C)C(=O)CCCC(=O)OC 1458a_100000239890_100000758301 [0,2,0,0,0,0|1,0,1]=4 19014 B12R0.156 CCC(C)C(=O)CCCC(=O)OC 1458a_100011192722_100011218270 [0,2,0,0,0,0|1,0,1]=4 19015 B12R0.156 CCC(C)C(C)NCCC(=O)NC 269862a_100000738227_100000210599 [0,2,0,0,0,0|2,0,0]=4 19016 B12R0.156 CCC(C)C(C)NCCC(=O)NC 270004a_100000738227_100000210599 [0,2,0,0,0,0|2,0,0]=4 19017 B12R0.156 CCC(C)C(C)OCCC(=O)NC 7a_100011215189_100000737683 [0,2,0,0,0,0|2,0,0]=4 19018 B12R0.156 CCC(C)C(C)OCCC(=O)OC 7a_100011215189_100000204255 [0,2,0,0,0,0|2,0,0]=4 19019 B12R0.156 CCC(C)CCNC(C)C(=O)NC 2230a_100020591266_100000731044 [0,2,0,0,0,0|2,0,0]=4 19020 B12R0.156 CCC(C)CCNC(C)C(=O)OC 2230a_100020591266_100000211248 [0,2,0,0,0,0|2,0,0]=4 19021 B12R0.156 CCC(C)CCNC(F)C(=O)NC 2230a_100020591266_100009813575 [0,2,0,0,0,0|2,0,0]=4 19022 B12R0.156 CCC(C)CCOC(C)C(=O)NC 7a_100011215188_100000209862 [0,2,0,0,0,0|2,0,0]=4 19023 B12R0.156 CCC(C)CCOC(C)C(=O)OC 7a_100011215188_100000211248 [0,2,0,0,0,0|2,0,0]=4 19024 B12R0.156 CCC(C)CCOC(F)C(=O)NC 7a_100011215188_100009813575 [0,2,0,0,0,0|2,0,0]=4 19025 B12R0.156 CCC(C)CNCC(C)C(=O)NC 2230a_100015187722_100000748023 [0,2,0,0,0,0|2,0,0]=4 19026 B12R0.156 CCC(C)CNCC(C)C(=O)NC 270004a_100015187722_100000243153 [0,2,0,0,0,0|2,0,0]=4 19027 B12R0.156 CCC(C)CNCC(C)C(=O)NC 34a_100015187722_100000748023 [0,2,0,0,0,0|2,0,0]=4 19028 B12R0.156 CCC(C)COCC(C)C(=O)OC 34a_100000749362_100000748023 [0,2,0,0,0,0|2,0,0]=4 19029 B12R0.156 CCC(C)COCC(C)C(=O)OC 7a_100000749362_100000748023 [0,2,0,0,0,0|2,0,0]=4 19030 B12R0.156 CCC(C)COCC(F)C(=O)OC 34a_200009849844_100000748023 [0,2,0,0,0,0|2,0,0]=4 19031 B12R0.156 CCC(C)COC[C@@H](N)C(=O)OC 34a_100000003586_100000748023 [0,2,0,0,0,0|2,0,0]=4 19032 B12R0.156 CCC(C)CSCC(C)C(=O)OC 62a_100000698445_100000748023 [0,2,0,0,0,0|2,0,0]=4 19033 B12R0.156 CCC(C)CSCC(C)C(=O)OC 62a_100000748023_100000698445 [0,2,0,0,0,0|2,0,0]=4 19034 B12R0.156 CCC(C)N(C)CCCC(=O)NC 2230a_100000741768_100000741757 [0,2,0,0,0,0|2,0,0]=4 19035 B12R0.156 CCC(C)N(C)CCCC(=O)NC 269982a_100000741768_100000741757 [0,2,0,0,0,0|2,0,0]=4 19036 B12R0.156 CCC(C)N(C)CCCC(=O)OC 2230a_100000741768_100011218270 [0,2,0,0,0,0|2,0,0]=4 19037 B12R0.156 CCC(C)N(C)CCCC(=O)OC 269982a_100000739225_100000758301 [0,2,0,0,0,0|2,0,0]=4 19038 B12R0.156 CCC(C)N(C)CCCC(=O)OC 269982a_100000741768_100011218270 [0,2,0,0,0,0|2,0,0]=4 19039 B12R0.156 CCC(C)NCCC(C)C(=O)OC 2230a_100000209981_100000034942 [0,2,0,0,0,0|2,0,0]=4 19040 B12R0.156 CCC(C)OCCC(C)C(=O)OC 7a_100000210228_100000034942 [0,2,0,0,0,0|2,0,0]=4 19041 B12R0.156 CCC(C)SCCC(C)C(=O)OC 62a_100000034942_100000758301 [0,2,0,0,0,0|2,0,0]=4 19042 B12R0.156 CCC(C)SCCC(C)C(=O)OC 62a_100000758301_100000034942 [0,2,0,0,0,0|2,0,0]=4 19043 B12R0.156 CCC(O)C(=O)CCCC(=O)NC 1458a_100011196387_100000741757 [0,2,0,0,0,0|1,0,1]=4 19044 B12R0.156 CCC(O)C(=O)CCCC(=O)OC 1458a_100011196387_100011218270 [0,2,0,0,0,0|1,0,1]=4 19045 B12R0.156 CCC(O)CNCC(C)C(=O)NC 2230a_100015187722_100011218378 [0,2,0,0,0,0|2,0,0]=4 19046 B12R0.156 CCC(O)CNCC(C)C(=O)NC 34a_100015187722_100011218378 [0,2,0,0,0,0|2,0,0]=4 19047 B12R0.156 CCC(O)COCC(C)C(=O)OC 34a_100000749362_100011218378 [0,2,0,0,0,0|2,0,0]=4 19048 B12R0.156 CCC(O)COCC(C)C(=O)OC 7a_100000749362_100011218378 [0,2,0,0,0,0|2,0,0]=4 19049 B12R0.156 CCC(O)COCC(F)C(=O)OC 34a_200009849844_100011218378 [0,2,0,0,0,0|2,0,0]=4 19050 B12R0.156 CCC(O)COC[C@@H](N)C(=O)OC 34a_100000003586_100011218378 [0,2,0,0,0,0|2,0,0]=4 19051 B12R0.156 CCC(O)CSCC(C)C(=O)OC 62a_100000698445_100011218378 [0,2,0,0,0,0|2,0,0]=4 19052 B12R0.156 CCC(O)CSCC(C)C(=O)OC 62a_100011218378_100000698445 [0,2,0,0,0,0|2,0,0]=4 19053 B12R0.156 CC[C@H](C)CNCC(C)C(=O)NC 2230a_100015187722_100009816398 [0,2,0,0,0,0|2,0,0]=4 19054 B12R0.156 CC[C@H](C)CNCC(C)C(=O)NC 34a_100015187722_100009816398 [0,2,0,0,0,0|2,0,0]=4 19055 B12R0.156 CC[C@H](C)COCC(C)C(=O)OC 34a_100000749362_100009816398 [0,2,0,0,0,0|2,0,0]=4 19056 B12R0.156 CC[C@H](C)COCC(C)C(=O)OC 7a_100000749362_100009816398 [0,2,0,0,0,0|2,0,0]=4 19057 B12R0.156 CC[C@H](C)COCC(F)C(=O)OC 34a_200009849844_100009816398 [0,2,0,0,0,0|2,0,0]=4 19058 B12R0.156 CC[C@H](C)COC[C@@H](N)C(=O)OC 34a_100000003586_100009816398 [0,2,0,0,0,0|2,0,0]=4 19059 B12R0.156 CC[C@H](C)CSCC(C)C(=O)OC 62a_100000698445_100009816398 [0,2,0,0,0,0|2,0,0]=4 19060 B12R0.156 CC[C@H](C)CSCC(C)C(=O)OC 62a_100009816398_100000698445 [0,2,0,0,0,0|2,0,0]=4 19061 B12R0.35 CCN(CC)CCCCCC(C)C 2230a_100000724800_100000210682 [0,2,0,0,0,0|2,0,0]=4 19062 B12R0.35 CCN(CC)CCCCCC(C)C 269956a_100000042499_100000210682 [0,2,0,0,0,0|2,0,0]=4 19063 B12R0.35 CCN(CC)CCCCCC(C)C 269982a_100000724800_100000210682 [0,2,0,0,0,0|2,0,0]=4 19064 B12R0.35 CCN(CCCCOC(C)C)N=O 34a_200000035056_100000210206 [0,2,0,0,0,0|2,0,0]=4 19065 B12R0.86 CCC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000742827 [0,2,0,0,0,0|1,0,0]=3 19066 B12R0.86 CCC(=O)C(C)NCCCS(=O)C 2230a_200000753449_100000742827 [0,2,0,0,0,0|2,0,0]=4 19067 B12R0.86 CCC(=O)C(C)NCCOC(C)C 2230a_100000701111_100000742827 [0,2,0,0,0,0|2,0,0]=4 19068 B12R0.86 CCC(=O)C(C)NCCSC(C)C 2230a_100000731138_100000742827 [0,2,0,0,0,0|2,0,0]=4 19069 B12R0.86 CCC(=O)C(C)OCCCC(=O)C 7a_100000759063_100000742827 [0,2,0,0,0,0|1,0,1]=4 19070 B12R0.86 CCC(=O)C(C)OCCCC(C)C 7a_100000210774_100000742827 [0,2,0,0,0,0|1,0,0]=3 19071 B12R0.86 CCC(=O)C(C)OCCOC(C)C 7a_100000211219_100000742827 [0,2,0,0,0,0|2,0,0]=4 19072 B12R0.86 CCC(=O)C(C)OCCSC(C)C 7a_200011212901_100000742827 [0,2,0,0,0,0|2,0,0]=4 19073 B12R0.86 CCC(=O)C(C)SCCCC(=O)C 62a_100000742827_100011215641 [0,2,0,0,0,0|1,0,1]=4 19074 B12R0.86 CCC(=O)C(C)SCCCC(=O)C 62a_100011215641_100000742827 [0,2,0,0,0,0|1,0,1]=4 19075 B12R0.86 CCC(=O)C(C)SCCCC(C)C 62a_100000742827_100011214892 [0,2,0,0,0,0|1,0,0]=3 19076 B12R0.86 CCC(=O)C(C)SCCCC(C)C 62a_100011214892_100000742827 [0,2,0,0,0,0|1,0,0]=3 19077 B12R0.86 CCC(=O)C(C)SCCCC(C)O 62a_100000742827_200000718107 [0,2,0,0,0,0|1,0,0]=3 19078 B12R0.86 CCC(=O)C(C)SCCCC(C)O 62a_200000718107_100000742827 [0,2,0,0,0,0|1,0,0]=3 19079 B12R0.86 CCC(=O)C(C)SCCCN(C)C 62a_100000742827_100000757444 [0,2,0,0,0,0|2,0,0]=4 19080 B12R0.86 CCC(=O)C(C)SCCOC(C)C 62a_100000211751_100000742827 [0,2,0,0,0,0|2,0,0]=4 19081 B12R0.86 CCC(=O)C(C)SCCOC(C)C 62a_100000742827_100000211751 [0,2,0,0,0,0|2,0,0]=4 19082 B12R0.86 CCC(=O)C(C)SCCSC(C)C 62a_100000730970_100000742827 [0,2,0,0,0,0|2,0,0]=4 19083 B12R0.86 CCC(=O)C(C)SCCSC(C)C 62a_100000742827_100000730970 [0,2,0,0,0,0|2,0,0]=4 19084 B12R0.86 CNC(=O)C(=O)CCCCC(C)C 1458a_100011218921_100011216152 [0,2,0,0,0,0|1,0,1]=4 19085 B12R0.86 CNC(=O)C(C)CNCCC(C)C 2230a_100015187722_100000210312 [0,2,0,0,0,0|2,0,0]=4 19086 B12R0.86 CNC(=O)C(C)CNCCC(C)C 269862a_100015187722_100000185833 [0,2,0,0,0,0|2,0,0]=4 19087 B12R0.86 CNC(=O)C(C)CNCCC(C)C 34a_100015187722_100000210312 [0,2,0,0,0,0|2,0,0]=4 19088 B12R0.86 CNC(=O)C(C)CNCCC(C)O 2230a_100015187722_100012276601 [0,2,0,0,0,0|2,0,0]=4 19089 B12R0.86 CNC(=O)C(C)CNCCC(C)O 34a_100015187722_100012276601 [0,2,0,0,0,0|2,0,0]=4 19090 B12R0.86 CNC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000731044 [0,2,0,0,0,0|2,0,0]=4 19091 B12R0.86 CNC(=O)C(C)NCCCC(C)C 34a_200000737386_100000731044 [0,2,0,0,0,0|2,0,0]=4 19092 B12R0.86 CNC(=O)C(C)OCCCC(C)C 34a_100000210774_100000731044 [0,2,0,0,0,0|2,0,0]=4 19093 B12R0.86 CNC(=O)C(C)OCCCC(C)C 7a_100000210774_100000209862 [0,2,0,0,0,0|2,0,0]=4 19094 B12R0.86 CNC(=O)C(C)SCCCC(C)C 62a_100000209862_100011214892 [0,2,0,0,0,0|2,0,0]=4 19095 B12R0.86 CNC(=O)C(C)SCCCC(C)C 62a_100011214892_100000731044 [0,2,0,0,0,0|2,0,0]=4 19096 B12R0.86 CNC(=O)C(C)SCCCC(C)O 62a_100000209862_200000718107 [0,2,0,0,0,0|2,0,0]=4 19097 B12R0.86 CNC(=O)C(C)SCCCC(C)O 62a_200000718107_100000731044 [0,2,0,0,0,0|2,0,0]=4 19098 B12R0.86 CNC(=O)C(F)NCCCC(C)C 2230a_200000737386_100009813575 [0,2,0,0,0,0|2,0,0]=4 19099 B12R0.86 CNC(=O)C(F)NCCCC(C)C 34a_200000737386_100009813575 [0,2,0,0,0,0|2,0,0]=4 19100 B12R0.86 CNC(=O)C(F)OCCCC(C)C 34a_100000210774_100009813575 [0,2,0,0,0,0|2,0,0]=4 19101 B12R0.86 CNC(=O)C(F)OCCCC(C)C 7a_100000210774_100009813575 [0,2,0,0,0,0|2,0,0]=4 19102 B12R0.86 CNC(=O)C(F)SCCCC(C)C 62a_100009813575_100011214892 [0,2,0,0,0,0|2,0,0]=4 19103 B12R0.86 CNC(=O)C(F)SCCCC(C)C 62a_100011214892_100009813575 [0,2,0,0,0,0|2,0,0]=4 19104 B12R0.86 CNC(=O)C(F)SCCCC(C)O 62a_100009813575_200000718107 [0,2,0,0,0,0|2,0,0]=4 19105 B12R0.86 CNC(=O)C(F)SCCCC(C)O 62a_200000718107_100009813575 [0,2,0,0,0,0|2,0,0]=4 19106 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)C 2230a_100000684985_100011214892 [0,2,0,0,0,0|2,0,0]=4 19107 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)C 34a_100000684985_100011214892 [0,2,0,0,0,0|2,0,0]=4 19108 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)O 2230a_100000684985_200000718107 [0,2,0,0,0,0|2,0,0]=4 19109 B12R0.86 CNC(=O)[C@@H](C)NCCCC(C)O 34a_100000684985_200000718107 [0,2,0,0,0,0|2,0,0]=4 19110 B12R0.86 COC(=O)C(C)CCNCC(C)C 2230a_100000210953_100000034942 [0,2,0,0,0,0|2,0,0]=4 19111 B12R0.86 COC(=O)C(C)CCNCC(C)C 34a_100000210953_100000034942 [0,2,0,0,0,0|2,0,0]=4 19112 B12R0.86 COC(=O)C(C)CCNCC(C)O 2230a_100000210904_100000034942 [0,2,0,0,0,0|2,0,0]=4 19113 B12R0.86 COC(=O)C(C)CCNCC(C)O 34a_100000210904_100000034942 [0,2,0,0,0,0|2,0,0]=4 19114 B12R0.86 COC(=O)C(C)CCOCC(C)Br 34a_100012180447_100000034942 [0,2,0,0,0,0|2,0,0]=4 19115 B12R0.86 COC(=O)C(C)CCOCC(C)C 34a_100000210257_100000034942 [0,2,0,0,0,0|2,0,0]=4 19116 B12R0.86 COC(=O)C(C)CCOCC(C)F 34a_100015925927_100000034942 [0,2,0,0,0,0|2,0,0]=4 19117 B12R0.86 COC(=O)C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000034942 [0,2,0,0,0,0|2,0,0]=4 19118 B12R0.86 COC(=O)C(C)CCOC[C@@H](C)N 34a_100000737577_100000034942 [0,2,0,0,0,0|2,0,0]=4 19119 B12R0.86 COC(=O)C(C)CCSCC(C)C 62a_100000034942_100000210760 [0,2,0,0,0,0|2,0,0]=4 19120 B12R0.86 COC(=O)C(C)CCSCC(C)C 62a_100000210624_100000034942 [0,2,0,0,0,0|2,0,0]=4 19121 B12R0.86 COC(=O)C(C)CCSCC(C)O 62a_100000034942_100011218427 [0,2,0,0,0,0|2,0,0]=4 19122 B12R0.86 COC(=O)C(C)CCSCC(C)O 62a_100011218427_100000034942 [0,2,0,0,0,0|2,0,0]=4 19123 B12R0.86 COC(=O)C(C)CCSC[C@@H](C)O 62a_100000034942_100009817552 [0,2,0,0,0,0|2,0,0]=4 19124 B12R0.86 COC(=O)C(C)CCSC[C@@H](C)O 62a_100009817552_100000034942 [0,2,0,0,0,0|2,0,0]=4 19125 B12R0.86 COC(=O)C(C)COCCC(C)Br 34a_100009893172_100000698445 [0,2,0,0,0,0|2,0,0]=4 19126 B12R0.86 COC(=O)C(C)COCCC(C)C 34a_100000210254_100000698445 [0,2,0,0,0,0|2,0,0]=4 19127 B12R0.86 COC(=O)C(C)COCCC(C)C 34a_100000749362_100000210312 [0,2,0,0,0,0|2,0,0]=4 19128 B12R0.86 COC(=O)C(C)COCCC(C)C 7a_100000749362_100000210626 [0,2,0,0,0,0|2,0,0]=4 19129 B12R0.86 COC(=O)C(C)COCCC(C)O 34a_100000749362_100012276601 [0,2,0,0,0,0|2,0,0]=4 19130 B12R0.86 COC(=O)C(C)COCCC(C)O 7a_100000749362_100012276601 [0,2,0,0,0,0|2,0,0]=4 19131 B12R0.86 COC(=O)C(C)COCC[C@@H](C)N 34a_100000706166_100000698445 [0,2,0,0,0,0|2,0,0]=4 19132 B12R0.86 COC(=O)C(C)CSCCC(C)C 62a_100000210312_100000698445 [0,2,0,0,0,0|2,0,0]=4 19133 B12R0.86 COC(=O)C(C)CSCCC(C)C 62a_100000698445_100000210312 [0,2,0,0,0,0|2,0,0]=4 19134 B12R0.86 COC(=O)C(C)CSCCC(C)O 62a_100000698445_100012276601 [0,2,0,0,0,0|2,0,0]=4 19135 B12R0.86 COC(=O)C(C)CSCCC(C)O 62a_100012276601_100000698445 [0,2,0,0,0,0|2,0,0]=4 19136 B12R0.86 COC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000211248 [0,2,0,0,0,0|2,0,0]=4 19137 B12R0.86 COC(=O)C(C)NCCCC(C)C 34a_200000737386_100000211248 [0,2,0,0,0,0|2,0,0]=4 19138 B12R0.86 COC(=O)C(C)OCCCC(C)C 34a_100000210774_100000211248 [0,2,0,0,0,0|2,0,0]=4 19139 B12R0.86 COC(=O)C(C)OCCCC(C)C 34a_100011215400_100011214892 [0,2,0,0,0,0|2,0,0]=4 19140 B12R0.86 COC(=O)C(C)OCCCC(C)C 7a_100000210774_100000211248 [0,2,0,0,0,0|2,0,0]=4 19141 B12R0.86 COC(=O)C(C)OCCCC(C)O 34a_100011215400_200000718107 [0,2,0,0,0,0|2,0,0]=4 19142 B12R0.86 COC(=O)C(C)SCCCC(C)C 62a_100000211248_100011214892 [0,2,0,0,0,0|2,0,0]=4 19143 B12R0.86 COC(=O)C(C)SCCCC(C)C 62a_100011214892_100000211248 [0,2,0,0,0,0|2,0,0]=4 19144 B12R0.86 COC(=O)C(C)SCCCC(C)O 62a_100000211248_200000718107 [0,2,0,0,0,0|2,0,0]=4 19145 B12R0.86 COC(=O)C(C)SCCCC(C)O 62a_200000718107_100000211248 [0,2,0,0,0,0|2,0,0]=4 19146 B12R0.86 COC(=O)C(F)COCCC(C)C 34a_200009849844_100000210312 [0,2,0,0,0,0|2,0,0]=4 19147 B12R0.86 COC(=O)C(F)COCCC(C)O 34a_200009849844_100012276601 [0,2,0,0,0,0|2,0,0]=4 19148 B12R0.86 COC(=O)[C@H](N)COCCC(C)C 34a_100000003586_100000210312 [0,2,0,0,0,0|2,0,0]=4 19149 B12R0.86 COC(=O)[C@H](N)COCCC(C)O 34a_100000003586_100012276601 [0,2,0,0,0,0|2,0,0]=4 19150 B12R0.150 CC(C)(C)CCCCCC(=O)CF 1458a_100012017116_100015361967 [0,2,0,0,0,0|1,0,0]=3 19151 B12R0.150 CCC(=O)CCCCCC(C)(C)C 1458a_100012017116_100000210202 [0,2,0,0,0,0|0,0,0]=2 19152 B12R0.150 CCC(=O)CCCCCC(F)(F)F 1458a_100000210414_100010187589 [0,2,0,0,0,0|1,0,0]=3 19153 B12R0.150 CCC(=O)CCCCC[N+](C)(C)C 1458a_100000210414_100009813293 [0,2,0,0,0,0|1,0,0]=3 19154 B12R0.150 CCC(=O)CCSCCC(F)(F)F 1458a_200012104370_100000210202 [0,2,0,0,0,0|2,0,0]=4 19155 B12R0.150 CCC(=O)COCCCC(C)(C)O 34a_100000725409_100009888830 [0,2,0,0,0,0|1,0,0]=3 19156 B12R0.150 CCC(=O)COCCCC(F)(F)F 34a_100000725409_100011215983 [0,2,0,0,0,0|2,0,0]=4 19157 B12R0.150 CCC(=O)COCCCS(=O)(=O)C 34a_100000725409_100000754308 [0,2,0,0,0,0|2,0,0]=4 19158 B12R0.150 CCC(=O)COCCCS(=O)(=O)C 7a_100000689940_100000747405 [0,2,0,0,0,0|2,0,0]=4 19159 B12R0.150 CCC(=O)COCCC[N+](C)(C)C 34a_100000725409_100016990835 [0,2,0,0,0,0|2,0,0]=4 19160 B12R0.150 CCC(=O)COCCC[Si](C)(C)C 34a_100000725409_100011219597 [0,2,0,0,0,0|1,1,0]=4 19161 B12R0.150 CCC(=O)COCCC[Si](C)(C)C 7a_200011215415_100000747405 [0,2,0,0,0,0|1,1,0]=4 19162 B12R0.150 CCC(=O)COCCOC(C)(C)C 7a_100000693234_100000747405 [0,2,0,0,0,0|2,0,0]=4 19163 B12R0.150 CCC(=O)CSCCCC(C)(C)O 62a_100000747405_100009888830 [0,2,0,0,0,0|1,0,0]=3 19164 B12R0.150 CCC(=O)CSCCCC(C)(C)O 62a_100009888830_100000747405 [0,2,0,0,0,0|1,0,0]=3 19165 B12R0.150 CCC(=O)CSCCCC(F)(F)F 62a_100000747405_100011216173 [0,2,0,0,0,0|2,0,0]=4 19166 B12R0.150 CCC(=O)CSCCCC(F)(F)F 62a_100011216173_100000747405 [0,2,0,0,0,0|2,0,0]=4 19167 B12R0.150 CCC(=O)CSCCCS(=O)(=O)C 62a_100000747405_100000754308 [0,2,0,0,0,0|2,0,0]=4 19168 B12R0.150 CCC(=O)CSCCCS(=O)(=O)C 62a_100000754308_100000747405 [0,2,0,0,0,0|2,0,0]=4 19169 B12R0.150 CCC(=O)CSCCC[N+](C)(C)C 62a_100000747405_100016990835 [0,2,0,0,0,0|2,0,0]=4 19170 B12R0.150 CCC(=O)CSCCC[N+](C)(C)C 62a_100016990835_100000747405 [0,2,0,0,0,0|2,0,0]=4 19171 B12R0.150 CCC(=O)CSCCC[Si](C)(C)C 62a_100000747405_100011219597 [0,2,0,0,0,0|1,1,0]=4 19172 B12R0.150 CCC(=O)CSCCC[Si](C)(C)C 62a_100011219597_100000747405 [0,2,0,0,0,0|1,1,0]=4 19173 B12R0.150 CCC(=O)NCCCOC(C)(C)C 1626a_100011250582_100000210414 [0,2,0,0,0,0|2,0,0]=4 19174 B12R0.150 CCC(=O)NCCCOC(C)(C)C 240690a_100011250582_100000210414 [0,2,0,0,0,0|2,0,0]=4 19175 B12R0.150 CCC(=O)NCCCOC(C)(C)C 527a_100011250582_100000210414 [0,2,0,0,0,0|2,0,0]=4 19176 B12R0.150 CCC(=O)NCCNCC(C)(C)C 270004a_100132302217_100011204126 [0,2,0,0,0,0|2,0,0]=4 19177 B12R0.150 CCC(=O)NCCNCC(C)(C)C 34a_100132302217_100011219605 [0,2,0,0,0,0|2,0,0]=4 19178 B12R0.150 CCC(=O)NCCNCC(C)(C)F 34a_100132302217_100011997219 [0,2,0,0,0,0|2,0,0]=4 19179 B12R0.150 CCC(=O)NCCNCC(C)(C)O 34a_100132302217_100000764493 [0,2,0,0,0,0|2,0,0]=4 19180 B12R0.150 CCC(=O)NCCOCC(C)(C)C 34a_200000158885_100011219605 [0,2,0,0,0,0|2,0,0]=4 19181 B12R0.150 CCC(=O)NCCOCC(C)(C)F 34a_200000158885_100011997219 [0,2,0,0,0,0|2,0,0]=4 19182 B12R0.150 CCC(=O)NCCOCC(C)(C)O 34a_200000158885_100000764493 [0,2,0,0,0,0|2,0,0]=4 19183 B12R0.150 CCC(=O)NCCOCC(C)(C)O 7a_200000158885_100000764493 [0,2,0,0,0,0|2,0,0]=4 19184 B12R0.150 CCC(=O)OCCOCC(C)(C)O 7a_200000031056_100000764493 [0,2,0,0,0,0|2,0,0]=4 19185 B12R0.150 CCN(C)CCCCCC(C)(C)O 2230a_100000225621_100010402123 [0,2,0,0,0,0|2,0,0]=4 19186 B12R0.150 CCN(C)CCCCCC(C)(C)O 269982a_100000225621_100010402123 [0,2,0,0,0,0|2,0,0]=4 19187 B12R0.150 CNC(=O)CCCCCC(C)(C)C 11a_106832991635_100012017116 [0,2,0,0,0,0|1,0,0]=3 19188 B12R0.150 CNC(=O)CCCCCC(C)(C)C 1626a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 19189 B12R0.150 CNC(=O)CCCCCC(C)(C)C 240690a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 19190 B12R0.150 CNC(=O)CCCCCC(C)(C)C 527a_100102657272_100012017116 [0,2,0,0,0,0|1,0,0]=3 19191 B12R0.150 CNC(=O)CCCNCC(C)(C)C 2230a_100000743828_100000741757 [0,2,0,0,0,0|2,0,0]=4 19192 B12R0.150 CNC(=O)CCCNCC(C)(C)C 270004a_100000740002_100011204126 [0,2,0,0,0,0|2,0,0]=4 19193 B12R0.150 CNC(=O)CCCNCC(C)(C)C 34a_100000740002_100011219605 [0,2,0,0,0,0|2,0,0]=4 19194 B12R0.150 CNC(=O)CCCNCC(C)(C)F 2230a_100020643315_100000741757 [0,2,0,0,0,0|2,0,0]=4 19195 B12R0.150 CNC(=O)CCCNCC(C)(C)F 34a_100000740002_100011997219 [0,2,0,0,0,0|2,0,0]=4 19196 B12R0.150 CNC(=O)CCCNCC(C)(C)O 2230a_100000751335_100000741757 [0,2,0,0,0,0|2,0,0]=4 19197 B12R0.150 CNC(=O)CCCNCC(C)(C)O 34a_100000740002_100000764493 [0,2,0,0,0,0|2,0,0]=4 19198 B12R0.150 CNC(=O)CCCOCC(C)(C)F 34a_100000716592_100000741757 [0,2,0,0,0,0|2,0,0]=4 19199 B12R0.150 CNC(=O)CCCOCC(C)(F)F 34a_100000068830_100000741757 [0,2,0,0,0,0|2,0,0]=4 19200 B12R0.150 CNC(=O)CCCSCC(C)(C)C 62a_100000741757_100011219605 [0,2,0,0,0,0|2,0,0]=4 19201 B12R0.150 CNC(=O)CCCSCC(C)(C)C 62a_100011219605_100000741757 [0,2,0,0,0,0|2,0,0]=4 19202 B12R0.150 CNC(=O)CCCSCC(C)(C)F 62a_100000741757_100011997219 [0,2,0,0,0,0|2,0,0]=4 19203 B12R0.150 CNC(=O)CCCSCC(C)(C)F 62a_100011997219_100000741757 [0,2,0,0,0,0|2,0,0]=4 19204 B12R0.150 CNC(=O)CCCSCC(C)(C)O 62a_100000741757_100000764493 [0,2,0,0,0,0|2,0,0]=4 19205 B12R0.150 CNC(=O)CCCSCC(C)(C)O 62a_100000764493_100000741757 [0,2,0,0,0,0|2,0,0]=4 19206 B12R0.150 CNC(=O)CCNCCC(C)(C)C 2230a_100000738227_100000755188 [0,2,0,0,0,0|2,0,0]=4 19207 B12R0.150 CNC(=O)CCNCCC(C)(C)C 2230a_100000738805_100000737683 [0,2,0,0,0,0|2,0,0]=4 19208 B12R0.150 CNC(=O)CCNCCC(C)(C)C 34a_100000738227_100000755188 [0,2,0,0,0,0|2,0,0]=4 19209 B12R0.150 CNC(=O)CCNCCC(C)(C)F 2230a_100016253952_100000737683 [0,2,0,0,0,0|2,0,0]=4 19210 B12R0.150 CNC(=O)CCNCCC(C)(C)O 2230a_100000738227_100000702414 [0,2,0,0,0,0|2,0,0]=4 19211 B12R0.150 CNC(=O)CCNCCC(C)(C)O 34a_100000738227_100000702414 [0,2,0,0,0,0|2,0,0]=4 19212 B12R0.150 CNC(=O)CCOCCC(C)(C)C 34a_100000754576_100000755188 [0,2,0,0,0,0|2,0,0]=4 19213 B12R0.150 CNC(=O)CCOCCC(C)(C)C 7a_100000765024_100000737683 [0,2,0,0,0,0|2,0,0]=4 19214 B12R0.150 CNC(=O)CCOCCC(C)(C)O 34a_100000754576_100000702414 [0,2,0,0,0,0|2,0,0]=4 19215 B12R0.150 CNC(=O)CCSCCC(C)(C)C 62a_100000737683_100000755188 [0,2,0,0,0,0|2,0,0]=4 19216 B12R0.150 CNC(=O)CCSCCC(C)(C)C 62a_100000755188_100000737683 [0,2,0,0,0,0|2,0,0]=4 19217 B12R0.150 CNC(=O)CCSCCC(C)(C)O 62a_100000702414_100000737683 [0,2,0,0,0,0|2,0,0]=4 19218 B12R0.150 CNC(=O)CCSCCC(C)(C)O 62a_100000737683_100000702414 [0,2,0,0,0,0|2,0,0]=4 19219 B12R0.150 CNC(=O)CNCCCC(C)(C)O 2230a_100000693194_100009888830 [0,2,0,0,0,0|2,0,0]=4 19220 B12R0.150 CNC(=O)COCCCC(C)(C)O 34a_100000750040_100009888830 [0,2,0,0,0,0|2,0,0]=4 19221 B12R0.150 CNC(=O)CSCCCC(C)(C)O 62a_100000183359_100009888830 [0,2,0,0,0,0|2,0,0]=4 19222 B12R0.150 CNC(=O)CSCCCC(C)(C)O 62a_100009888830_100000183359 [0,2,0,0,0,0|2,0,0]=4 19223 B12R0.150 COC(=O)CCCCNC(C)(C)C 2230a_100000715429_100000204269 [0,2,0,0,0,0|2,0,0]=4 19224 B12R0.150 COC(=O)CCCCOC(C)(C)C 34a_100000059025_100000210625 [0,2,0,0,0,0|2,0,0]=4 19225 B12R0.150 COC(=O)CCCCOC(C)(C)C 34a_100015890283_100000204269 [0,2,0,0,0,0|2,0,0]=4 19226 B12R0.150 COC(=O)CCCCOC(C)(C)C 7a_100015890283_100000204269 [0,2,0,0,0,0|2,0,0]=4 19227 B12R0.150 COC(=O)CCCCSC(C)(C)C 62a_100000204269_100000211941 [0,2,0,0,0,0|2,0,0]=4 19228 B12R0.150 COC(=O)CCCCSC(C)(C)C 62a_100000211941_100000204269 [0,2,0,0,0,0|2,0,0]=4 19229 B12R0.150 COC(=O)CCCNCC(C)(C)C 2230a_100000743828_100011218270 [0,2,0,0,0,0|2,0,0]=4 19230 B12R0.150 COC(=O)CCCNCC(C)(C)F 2230a_100020643315_100011218270 [0,2,0,0,0,0|2,0,0]=4 19231 B12R0.150 COC(=O)CCCNCC(C)(C)O 2230a_100000751335_100011218270 [0,2,0,0,0,0|2,0,0]=4 19232 B12R0.150 COC(=O)CCCOCC(C)(C)F 34a_100000716592_100000742333 [0,2,0,0,0,0|2,0,0]=4 19233 B12R0.150 COC(=O)CCCOCC(C)(F)F 34a_100000068830_100000742333 [0,2,0,0,0,0|2,0,0]=4 19234 B12R0.150 COC(=O)CCCSCC(C)(C)C 62a_100011218270_100011219605 [0,2,0,0,0,0|2,0,0]=4 19235 B12R0.150 COC(=O)CCCSCC(C)(C)C 62a_100011219605_100011218270 [0,2,0,0,0,0|2,0,0]=4 19236 B12R0.150 COC(=O)CCCSCC(C)(C)F 62a_100011218270_100011997219 [0,2,0,0,0,0|2,0,0]=4 19237 B12R0.150 COC(=O)CCCSCC(C)(C)F 62a_100011997219_100011218270 [0,2,0,0,0,0|2,0,0]=4 19238 B12R0.150 COC(=O)CCCSCC(C)(C)O 62a_100000764493_100011218270 [0,2,0,0,0,0|2,0,0]=4 19239 B12R0.150 COC(=O)CCCSCC(C)(C)O 62a_100011218270_100000764493 [0,2,0,0,0,0|2,0,0]=4 19240 B12R0.150 COC(=O)CCNCCC(C)(C)C 2230a_100000738805_100000204255 [0,2,0,0,0,0|2,0,0]=4 19241 B12R0.150 COC(=O)CCNCCC(C)(C)F 2230a_100016253952_100000204255 [0,2,0,0,0,0|2,0,0]=4 19242 B12R0.150 COC(=O)CCOCCC(C)(C)C 7a_100000765024_100000204255 [0,2,0,0,0,0|2,0,0]=4 19243 B12R0.150 COC(=O)CCSCCC(C)(C)C 62a_100000204255_100000755188 [0,2,0,0,0,0|2,0,0]=4 19244 B12R0.150 COC(=O)CCSCCC(C)(C)C 62a_100000755188_100000204255 [0,2,0,0,0,0|2,0,0]=4 19245 B12R0.150 COC(=O)CCSCCC(C)(C)O 62a_100000204255_100000702414 [0,2,0,0,0,0|2,0,0]=4 19246 B12R0.150 COC(=O)CCSCCC(C)(C)O 62a_100000702414_100000204255 [0,2,0,0,0,0|2,0,0]=4 19247 B12R0.150 COC(=O)CSCCCC(C)(C)O 62a_100000747449_100009888830 [0,2,0,0,0,0|2,0,0]=4 19248 B12R0.150 COC(=O)CSCCCC(C)(C)O 62a_100009888830_100000747449 [0,2,0,0,0,0|2,0,0]=4 19249 B12R0.150 C[N+](C)(C)CCCCCC(=O)CO 1458a_100000210174_100009813293 [0,2,0,0,0,0|2,0,0]=4 19250 B12R0.150 O=C(CO)CCCCCC(F)(F)F 1458a_100000210174_100010187589 [0,2,0,0,0,0|2,0,0]=4 19251 B12R0.240 CC(C)CCCC(C)NC(=O)CO 240690a_100000210607_100000210174 [0,2,0,0,0,0|2,0,0]=4 19252 B12R0.240 CC(C)CCCC(C)NC(=O)CO 527a_100000210607_100000210174 [0,2,0,0,0,0|2,0,0]=4 19253 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [0,2,0,0,0,0|0,0,1]=3 19254 B12R0.240 CCC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747405 [0,2,0,0,0,0|1,0,1]=4 19255 B12R0.240 CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210202 [0,2,0,0,0,0|0,0,2]=4 19256 B12R0.240 CCC(=O)CN(C)CCCN(C)C 269982a_100000225831_100000747405 [0,2,0,0,0,0|2,0,0]=4 19257 B12R0.240 CCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000210414 [0,2,0,0,0,0|1,0,0]=3 19258 B12R0.240 CCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000210414 [0,2,0,0,0,0|1,0,0]=3 19259 B12R0.240 CCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000210414 [0,2,0,0,0,0|1,0,0]=3 19260 B12R0.240 CCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000210414 [0,2,0,0,0,0|1,0,0]=3 19261 B12R0.240 CNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183359 [0,2,0,0,0,0|1,0,1]=4 19262 B12R0.240 CNC(=O)CN(C)CCCC(C)C 2230a_100000189611_100011214892 [0,2,0,0,0,0|2,0,0]=4 19263 B12R0.240 CNC(=O)CN(C)CCCC(C)O 2230a_100000189611_200000718107 [0,2,0,0,0,0|2,0,0]=4 19264 B12R0.240 CNC(=O)NC(C)CCCC(C)C 2708a_100000210607_106832991635 [0,2,0,0,0,0|2,0,0]=4 19265 B12R0.240 CNC(=O)NC(C)CCCC(C)C 2708a_100102657272_100000210607 [0,2,0,0,0,0|2,0,0]=4 19266 B12R0.240 CNC(=O)NC(C)CCCC(C)C 273464a_100000210607_100102657272 [0,2,0,0,0,0|2,0,0]=4 19267 B12R0.240 CNC(=O)NC(C)CCCC(C)C 512a_100000210607_100102657272 [0,2,0,0,0,0|2,0,0]=4 19268 B12R0.240 CNC(=O)NC(C)CCCC(C)C 512a_106832991638_100000210607 [0,2,0,0,0,0|2,0,0]=4 19269 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100000211351_100011214892 [0,2,0,0,0,0|1,0,1]=4 19270 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747449 [0,2,0,0,0,0|1,0,1]=4 19271 B12R0.240 COC(=O)CC(=O)CCCC(C)O 1458a_100000211351_200000718107 [0,2,0,0,0,0|1,0,1]=4 19272 B12R0.240 COC(=O)CC(C)NCCC(C)O 2230a_200000755665_100009817358 [0,2,0,0,0,0|2,0,0]=4 19273 B12R0.240 COC(=O)CC(C)OCCC(C)Br 34a_100009893172_100009817358 [0,2,0,0,0,0|2,0,0]=4 19274 B12R0.240 COC(=O)CC(C)OCCC(C)C 34a_100000210254_100009817358 [0,2,0,0,0,0|2,0,0]=4 19275 B12R0.240 COC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817358 [0,2,0,0,0,0|2,0,0]=4 19276 B12R0.240 COC(=O)CC(C)OCC[C@@H](C)N 34a_100000706166_100009817358 [0,2,0,0,0,0|2,0,0]=4 19277 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817358 [0,2,0,0,0,0|2,0,0]=4 19278 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100009817358_100000210312 [0,2,0,0,0,0|2,0,0]=4 19279 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100009817358_100012276601 [0,2,0,0,0,0|2,0,0]=4 19280 B12R0.240 COC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817358 [0,2,0,0,0,0|2,0,0]=4 19281 B12R0.240 COC(=O)CN(C)CCCC(C)C 2230a_100000198492_100011214892 [0,2,0,0,0,0|2,0,0]=4 19282 B12R0.240 COC(=O)CN(C)CCCC(C)O 2230a_100000198492_200000718107 [0,2,0,0,0,0|2,0,0]=4 19283 B12R0.240 COC(=O)C[C@@H](O)CNCC(C)C 34a_100000210953_100000754131 [0,2,0,0,0,0|2,0,0]=4 19284 B12R0.240 COC(=O)C[C@@H](O)CNCC(C)O 34a_100000210904_100000754131 [0,2,0,0,0,0|2,0,0]=4 19285 B12R0.240 COC(=O)C[C@@H](O)COCC(C)Br 34a_100012180447_100000754131 [0,2,0,0,0,0|2,0,0]=4 19286 B12R0.240 COC(=O)C[C@@H](O)COCC(C)C 34a_100000210257_100000754131 [0,2,0,0,0,0|2,0,0]=4 19287 B12R0.240 COC(=O)C[C@@H](O)COCC(C)F 34a_100015925927_100000754131 [0,2,0,0,0,0|2,0,0]=4 19288 B12R0.240 COC(=O)C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100000754131 [0,2,0,0,0,0|2,0,0]=4 19289 B12R0.240 COC(=O)C[C@@H](O)COC[C@@H](C)N 34a_100000737577_100000754131 [0,2,0,0,0,0|2,0,0]=4 19290 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)C 62a_100000210624_100000754131 [0,2,0,0,0,0|2,0,0]=4 19291 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)C 62a_100000754131_100000210760 [0,2,0,0,0,0|2,0,0]=4 19292 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)O 62a_100000754131_100011218427 [0,2,0,0,0,0|2,0,0]=4 19293 B12R0.240 COC(=O)C[C@@H](O)CSCC(C)O 62a_100011218427_100000754131 [0,2,0,0,0,0|2,0,0]=4 19294 B12R0.240 COC(=O)C[C@@H](O)CSC[C@@H](C)O 62a_100000754131_100009817552 [0,2,0,0,0,0|2,0,0]=4 19295 B12R0.240 COC(=O)C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100000754131 [0,2,0,0,0,0|2,0,0]=4 19296 B12R0.241 CCC(=O)CSCC(C)CN(C)C 62a_100000747405_100015348159 [0,2,0,0,0,0|2,0,0]=4 19297 B12R0.241 CCC(=O)CSCC(C)CN(C)C 62a_100015348159_100000747405 [0,2,0,0,0,0|2,0,0]=4 19298 B12R0.241 CNC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100000741757 [0,2,0,0,0,0|1,0,1]=4 19299 B12R0.241 CNC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000741757 [0,2,0,0,0,0|1,0,1]=4 19300 B12R0.241 CNC(=O)CCCN(C)CC(C)C 2230a_100000747067_100000741757 [0,2,0,0,0,0|2,0,0]=4 19301 B12R0.241 CNC(=O)CCCN(C)CC(C)C 269982a_100000747067_100000741757 [0,2,0,0,0,0|2,0,0]=4 19302 B12R0.241 CNC(=O)CCCN(C)CC(C)O 2230a_100000227577_100000741757 [0,2,0,0,0,0|2,0,0]=4 19303 B12R0.241 CNC(=O)CCCN(C)CC(C)O 269982a_100000227577_100000741757 [0,2,0,0,0,0|2,0,0]=4 19304 B12R0.241 CNC(=O)CCNC(C)CC(C)C 2230a_100000692259_100000737683 [0,2,0,0,0,0|2,0,0]=4 19305 B12R0.241 CNC(=O)CCNC(C)CC(C)C 2230a_100000738227_100000731052 [0,2,0,0,0,0|2,0,0]=4 19306 B12R0.241 CNC(=O)CCNC(C)CC(C)C 34a_100000738227_100000731052 [0,2,0,0,0,0|2,0,0]=4 19307 B12R0.241 CNC(=O)CCOC(C)CC(C)C 34a_100000211805_100012179268 [0,2,0,0,0,0|2,0,0]=4 19308 B12R0.241 CNC(=O)CCOC(C)CC(C)C 34a_100000754576_100000731052 [0,2,0,0,0,0|2,0,0]=4 19309 B12R0.241 CNC(=O)CCOC(C)CC(C)C 7a_100000211805_100000737683 [0,2,0,0,0,0|2,0,0]=4 19310 B12R0.241 CNC(=O)CCSC(C)CC(C)C 62a_100000731052_100000737683 [0,2,0,0,0,0|2,0,0]=4 19311 B12R0.241 CNC(=O)CCSC(C)CC(C)C 62a_100000737683_100000731052 [0,2,0,0,0,0|2,0,0]=4 19312 B12R0.241 CNC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000183359 [0,2,0,0,0,0|2,0,0]=4 19313 B12R0.241 COC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011218270 [0,2,0,0,0,0|1,0,1]=4 19314 B12R0.241 COC(=O)CCCC(=O)CC(C)C 1458a_100000239890_100000210624 [0,2,0,0,0,0|1,0,1]=4 19315 B12R0.241 COC(=O)CCCC(=O)CC(C)O 1458a_100000239890_100011218427 [0,2,0,0,0,0|1,0,1]=4 19316 B12R0.241 COC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011218270 [0,2,0,0,0,0|1,0,1]=4 19317 B12R0.241 COC(=O)CCCN(C)CC(C)C 2230a_100000747067_100011218270 [0,2,0,0,0,0|2,0,0]=4 19318 B12R0.241 COC(=O)CCCN(C)CC(C)C 269982a_100000739225_100000210624 [0,2,0,0,0,0|2,0,0]=4 19319 B12R0.241 COC(=O)CCCN(C)CC(C)C 269982a_100000747067_100011218270 [0,2,0,0,0,0|2,0,0]=4 19320 B12R0.241 COC(=O)CCCN(C)CC(C)O 2230a_100000227577_100011218270 [0,2,0,0,0,0|2,0,0]=4 19321 B12R0.241 COC(=O)CCCN(C)CC(C)O 269982a_100000227577_100011218270 [0,2,0,0,0,0|2,0,0]=4 19322 B12R0.241 COC(=O)CCCN(C)CC(C)O 269982a_100000739225_100011218427 [0,2,0,0,0,0|2,0,0]=4 19323 B12R0.241 COC(=O)CCCN(C)C[C@@H](C)O 269982a_100000739225_100009817552 [0,2,0,0,0,0|2,0,0]=4 19324 B12R0.241 COC(=O)CCNC(C)CC(C)C 2230a_100000692259_100000204255 [0,2,0,0,0,0|2,0,0]=4 19325 B12R0.241 COC(=O)CCOC(C)CC(C)C 34a_100000211805_100000742370 [0,2,0,0,0,0|2,0,0]=4 19326 B12R0.241 COC(=O)CCOC(C)CC(C)C 7a_100000211805_100000204255 [0,2,0,0,0,0|2,0,0]=4 19327 B12R0.241 COC(=O)CCSC(C)CC(C)C 62a_100000204255_100000731052 [0,2,0,0,0,0|2,0,0]=4 19328 B12R0.241 COC(=O)CCSC(C)CC(C)C 62a_100000731052_100000204255 [0,2,0,0,0,0|2,0,0]=4 19329 B12R0.241 COC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000747449 [0,2,0,0,0,0|2,0,0]=4 19330 B12R0.116 CCCCCCC(C)N(CC)CC 2230a_100000724800_100011215978 [0,2,0,0,0,0|2,0,0]=4 19331 B12R0.116 CCCCCCC(C)N(CC)CC 269956a_100000042499_100011215978 [0,2,0,0,0,0|2,0,0]=4 19332 B12R0.116 CCCCCCC(C)N(CC)CC 269982a_100000724800_100011215978 [0,2,0,0,0,0|2,0,0]=4 19333 B12R0.116 CCCCCCC(C)N(CC)CC 270004a_100000724800_100000210826 [0,2,0,0,0,0|2,0,0]=4 19334 B12R0.79 CCC(=O)C(C)NCC(O)COC 2230a_100000756049_100000742827 [0,2,0,0,0,0|2,0,0]=4 19335 B12R0.79 CCC(=O)C(C)SCC(O)COC 62a_100000742827_100011215053 [0,2,0,0,0,0|2,0,0]=4 19336 B12R0.79 CCC(=O)C(C)SCC(O)COC 62a_100011215053_100000742827 [0,2,0,0,0,0|2,0,0]=4 19337 B12R0.79 CCCC(=O)CCC(C)C(=O)OC 1458a_100000211992_100000034942 [0,2,0,0,0,0|1,0,1]=4 19338 B12R0.79 CCCC(=O)CSC(C)C(=O)CC 62a_100000742827_100000747444 [0,2,0,0,0,0|1,0,1]=4 19339 B12R0.79 CCCC(=O)CSC(C)C(=O)CC 62a_100000747444_100000742827 [0,2,0,0,0,0|1,0,1]=4 19340 B12R0.79 CCCC(C)CN[C@H](C)C(=O)NC 2230a_100000684985_100011216630 [0,2,0,0,0,0|2,0,0]=4 19341 B12R0.79 CCCC(C)CN[C@H](C)C(=O)NC 34a_100000684985_100011216630 [0,2,0,0,0,0|2,0,0]=4 19342 B12R0.79 CCCC(C)COC(C)C(=O)CC 7a_100000688023_100000742827 [0,2,0,0,0,0|1,0,0]=3 19343 B12R0.79 CCCC(C)COC(C)C(=O)NC 34a_100000688023_100000731044 [0,2,0,0,0,0|2,0,0]=4 19344 B12R0.79 CCCC(C)COC(C)C(=O)NC 7a_100000688023_100000209862 [0,2,0,0,0,0|2,0,0]=4 19345 B12R0.79 CCCC(C)COC(C)C(=O)OC 34a_100000688023_100000211248 [0,2,0,0,0,0|2,0,0]=4 19346 B12R0.79 CCCC(C)COC(C)C(=O)OC 34a_100011215400_100011216630 [0,2,0,0,0,0|2,0,0]=4 19347 B12R0.79 CCCC(C)COC(C)C(=O)OC 7a_100000688023_100000211248 [0,2,0,0,0,0|2,0,0]=4 19348 B12R0.79 CCCC(C)COC(F)C(=O)NC 34a_100000688023_100009813575 [0,2,0,0,0,0|2,0,0]=4 19349 B12R0.79 CCCC(C)COC(F)C(=O)NC 7a_100000688023_100009813575 [0,2,0,0,0,0|2,0,0]=4 19350 B12R0.79 CCCC(C)CSC(C)C(=O)CC 62a_100000742827_100011216630 [0,2,0,0,0,0|1,0,0]=3 19351 B12R0.79 CCCC(C)CSC(C)C(=O)CC 62a_100011216630_100000742827 [0,2,0,0,0,0|1,0,0]=3 19352 B12R0.79 CCCC(C)CSC(C)C(=O)NC 62a_100000209862_100011216630 [0,2,0,0,0,0|2,0,0]=4 19353 B12R0.79 CCCC(C)CSC(C)C(=O)NC 62a_100011216630_100000731044 [0,2,0,0,0,0|2,0,0]=4 19354 B12R0.79 CCCC(C)CSC(C)C(=O)OC 62a_100000211248_100011216630 [0,2,0,0,0,0|2,0,0]=4 19355 B12R0.79 CCCC(C)CSC(C)C(=O)OC 62a_100011216630_100000211248 [0,2,0,0,0,0|2,0,0]=4 19356 B12R0.79 CCCC(C)CSC(F)C(=O)NC 62a_100009813575_100011216630 [0,2,0,0,0,0|2,0,0]=4 19357 B12R0.79 CCCC(C)CSC(F)C(=O)NC 62a_100011216630_100009813575 [0,2,0,0,0,0|2,0,0]=4 19358 B12R0.79 CCCC(C)NCC(C)C(=O)NC 2230a_100015187722_100000766640 [0,2,0,0,0,0|2,0,0]=4 19359 B12R0.79 CCCC(C)NCC(C)C(=O)NC 270004a_100015187722_100000211909 [0,2,0,0,0,0|2,0,0]=4 19360 B12R0.79 CCCC(C)NCC(C)C(=O)NC 34a_100015187722_100000766640 [0,2,0,0,0,0|2,0,0]=4 19361 B12R0.79 CCCC(C)OCC(C)C(=O)OC 34a_100000749362_100000766640 [0,2,0,0,0,0|2,0,0]=4 19362 B12R0.79 CCCC(C)OCC(C)C(=O)OC 34a_100000764384_100000698445 [0,2,0,0,0,0|2,0,0]=4 19363 B12R0.79 CCCC(C)OCC(C)C(=O)OC 7a_100000749362_100000766640 [0,2,0,0,0,0|2,0,0]=4 19364 B12R0.79 CCCC(C)OCC(F)C(=O)OC 34a_200009849844_100000766640 [0,2,0,0,0,0|2,0,0]=4 19365 B12R0.79 CCCC(C)OC[C@@H](N)C(=O)OC 34a_100000003586_100000766640 [0,2,0,0,0,0|2,0,0]=4 19366 B12R0.79 CCCC(C)SCC(C)C(=O)OC 62a_100000698445_100000766640 [0,2,0,0,0,0|2,0,0]=4 19367 B12R0.79 CCCC(C)SCC(C)C(=O)OC 62a_100000766640_100000698445 [0,2,0,0,0,0|2,0,0]=4 19368 B12R0.79 CCCN(C)CCC(C)C(=O)OC 2230a_100000747261_100000034942 [0,2,0,0,0,0|2,0,0]=4 19369 B12R0.79 CCCN(C)CCC(C)C(=O)OC 269982a_100000747261_100000034942 [0,2,0,0,0,0|2,0,0]=4 19370 B12R0.79 CCC[C@H](N)COC(C)C(=O)NC 34a_100000732646_100000731044 [0,2,0,0,0,0|2,0,0]=4 19371 B12R0.79 CCC[C@H](N)COC(C)C(=O)OC 34a_100000732646_100000211248 [0,2,0,0,0,0|2,0,0]=4 19372 B12R0.79 CCC[C@H](N)COC(F)C(=O)NC 34a_100000732646_100009813575 [0,2,0,0,0,0|2,0,0]=4 19373 B12R0.79 CCOC(=O)CCC(C)C(=O)CC 1458a_100000210414_100000748298 [0,2,0,0,0,0|1,0,1]=4 19374 B12R0.110 CCC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000742827 [0,2,0,0,0,0|1,0,1]=4 19375 B12R0.110 CCC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100000742827 [0,2,0,0,0,0|1,0,1]=4 19376 B12R0.110 CCC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100000742827 [0,2,0,0,0,0|1,0,1]=4 19377 B12R0.110 CCC(=O)C(C)N(C)CCCCO 2230a_100000717598_100000742827 [0,2,0,0,0,0|2,0,0]=4 19378 B12R0.110 CCC(=O)C(C)N(C)CCCCO 269982a_100000717598_100000742827 [0,2,0,0,0,0|2,0,0]=4 19379 B12R0.110 CCC(=O)C(C)N(C)CCCOC 2230a_100000224831_100000742827 [0,2,0,0,0,0|2,0,0]=4 19380 B12R0.110 CCC(=O)C(C)N(C)CCCOC 269982a_100000224831_100000742827 [0,2,0,0,0,0|2,0,0]=4 19381 B12R0.110 CCCCCC(=O)C(C)C(=O)CC 1458a_100000212188_100000742827 [0,2,0,0,0,0|0,0,1]=3 19382 B12R0.110 CCCCCC(=O)C(C)C(=O)NC 1458a_100000212188_100000209862 [0,2,0,0,0,0|1,0,1]=4 19383 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100000212188_100000211248 [0,2,0,0,0,0|1,0,1]=4 19384 B12R0.110 CCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210326 [0,2,0,0,0,0|1,0,1]=4 19385 B12R0.110 CCCCCC(=O)C(F)C(=O)NC 1458a_100000212188_100009813575 [0,2,0,0,0,0|1,0,1]=4 19386 B12R0.110 CCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011218191 [0,2,0,0,0,0|1,0,1]=4 19387 B12R0.110 CCCCCN(C)C(C)C(=O)CC 2230a_100000223495_100000742827 [0,2,0,0,0,0|1,0,0]=3 19388 B12R0.110 CCCCCN(C)C(C)C(=O)CC 269982a_100000223495_100000742827 [0,2,0,0,0,0|1,0,0]=3 19389 B12R0.110 CCCCCN(C)C(C)C(=O)NC 2230a_100000223495_100000731044 [0,2,0,0,0,0|2,0,0]=4 19390 B12R0.110 CCCCCN(C)C(C)C(=O)NC 269982a_100000223495_100000209862 [0,2,0,0,0,0|2,0,0]=4 19391 B12R0.110 CCCCCN(C)C(C)C(=O)OC 2230a_100000223495_100000211248 [0,2,0,0,0,0|2,0,0]=4 19392 B12R0.110 CCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100000210326 [0,2,0,0,0,0|2,0,0]=4 19393 B12R0.110 CCCCCN(C)C(C)C(=O)OC 269982a_100000223495_100000211248 [0,2,0,0,0,0|2,0,0]=4 19394 B12R0.110 CCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100000210215 [0,2,0,0,0,0|2,0,0]=4 19395 B12R0.110 CCCCCN(C)C(F)C(=O)NC 2230a_100000223495_100009813575 [0,2,0,0,0,0|2,0,0]=4 19396 B12R0.110 CCCCCN(C)C(F)C(=O)NC 269982a_100000223495_100009813575 [0,2,0,0,0,0|2,0,0]=4 19397 B12R0.110 CCCCNC(=O)C(C)C(=O)CC 1458a_100000210414_100000735917 [0,2,0,0,0,0|1,0,1]=4 19398 B12R0.110 CCCCOC(=O)C(C)C(=O)CC 1458a_100000210414_100000759602 [0,2,0,0,0,0|1,0,1]=4 19399 B12R0.110 CCCCO[C@H](C)[C@H](N)C(=O)NC 34a_100102634413_100000210210 [0,2,0,0,0,0|2,0,0]=4 19400 B12R0.110 CCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210210 [0,2,0,0,0,0|2,0,0]=4 19401 B12R0.110 CCCOCC(=O)C(C)C(=O)CC 1458a_100000745993_100000742827 [0,2,0,0,0,0|1,0,1]=4 19402 B12R0.110 CCCSCC(=O)C(C)C(=O)CC 1458a_100000217233_100000742827 [0,2,0,0,0,0|1,0,1]=4 19403 B12R0.110 CCOCCC(=O)C(C)C(=O)CC 1458a_100000749530_100000742827 [0,2,0,0,0,0|1,0,1]=4 19404 B12R0.110 CCSCCC(=O)C(C)C(=O)CC 1458a_100000230768_100000742827 [0,2,0,0,0,0|1,0,1]=4 19405 B12R0.200 CCC(=O)C(CC)OCCCCF 34a_200011218131_100000729493 [0,2,0,0,0,0|2,0,0]=4 19406 B12R0.200 CCC(=O)C(CC)OCCCCF 7a_200011218131_100000729493 [0,2,0,0,0,0|2,0,0]=4 19407 B12R0.200 CCC(=O)C(CC)OCCCCO 34a_200011218131_100011216708 [0,2,0,0,0,0|2,0,0]=4 19408 B12R0.200 CCC(=O)C(CC)OCCCCO 7a_200011218131_100000210776 [0,2,0,0,0,0|2,0,0]=4 19409 B12R0.200 CCC(=O)C(CC)OCCCOC 34a_200011218131_100000740836 [0,2,0,0,0,0|2,0,0]=4 19410 B12R0.200 CCC(=O)C(CC)OCCCOC 7a_200011218131_100000740836 [0,2,0,0,0,0|2,0,0]=4 19411 B12R0.200 CCCCCCC(NC)C(=O)OC 2230a_106832991635_100009813864 [0,2,0,0,0,0|1,0,0]=3 19412 B12R0.200 CCCCCCC(NC)C(=O)OC 34a_100102657272_100009813864 [0,2,0,0,0,0|1,0,0]=3 19413 B12R0.200 CCCCCCC(NC)C(=O)OC 7a_106832991635_100009813864 [0,2,0,0,0,0|1,0,0]=3 19414 B12R0.200 CCCCCCC(OC)C(=O)OC 34a_100138415774_100009813864 [0,2,0,0,0,0|1,0,0]=3 19415 B12R0.200 CCCCCCC(OC)C(C)CC 34a_200011290773_200000210301 [0,2,0,0,0,0|1,0,1]=4 19416 B12R0.200 CCCCCCC(OC)C(C)CC 7a_200011290773_200000210301 [0,2,0,0,0,0|1,0,1]=4 19417 B12R0.200 CCCCCCC(O[13CH3])C(C)CC 34a_200011290773_200025704644 [0,2,0,0,0,0|1,0,1]=4 19418 B12R0.200 CCCCCCC(O[13CH3])C(C)CC 7a_200011290773_200025704644 [0,2,0,0,0,0|1,0,1]=4 19419 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_100009813864_200000210301 [0,2,0,0,0,0|1,0,0]=3 19420 B12R0.200 CCCCCCC(SC)C(=O)OC 62a_200000210301_100009813864 [0,2,0,0,0,0|1,0,0]=3 19421 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_100009813864_200025704644 [0,2,0,0,0,0|1,0,0]=3 19422 B12R0.200 CCCCCCC(S[13CH3])C(=O)OC 62a_200025704644_100009813864 [0,2,0,0,0,0|1,0,0]=3 19423 B12R0.200 CCCCCNC(CC)C(=O)OC 2230a_100000209983_100000235869 [0,2,0,0,0,0|2,0,0]=4 19424 B12R0.200 CCCCCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210326 [0,2,0,0,0,0|2,0,0]=4 19425 B12R0.200 CCCCCN[C@@H](CC)C(=O)NC 34a_106657271573_100000718602 [0,2,0,0,0,0|2,0,0]=4 19426 B12R0.200 CCCCCOC(C=O)C(=O)OC 34a_100000210253_100000046368 [0,2,0,0,0,0|2,0,0]=4 19427 B12R0.200 CCCCCOC(CC)C(=O)CC 34a_200011218131_100000718602 [0,2,0,0,0,0|1,0,0]=3 19428 B12R0.200 CCCCCOC(CC)C(=O)CC 7a_200011218131_100000210326 [0,2,0,0,0,0|1,0,0]=3 19429 B12R0.200 CCCCCOC(CC)C(=O)OC 34a_100000210253_100000235869 [0,2,0,0,0,0|2,0,0]=4 19430 B12R0.200 CCCCCOC(CC)C(=O)OC 34a_100000695916_100000718602 [0,2,0,0,0,0|2,0,0]=4 19431 B12R0.200 CCCCCOC(CC)C(=O)OC 7a_100000210253_100000742303 [0,2,0,0,0,0|2,0,0]=4 19432 B12R0.200 CCCCCOC(CC)C(=O)OC 7a_100000695916_100000210326 [0,2,0,0,0,0|2,0,0]=4 19433 B12R0.200 CCCCCOC(CN)C(=O)OC 34a_100000695228_100000718602 [0,2,0,0,0,0|2,0,0]=4 19434 B12R0.200 CCCCCOC(CO)C(=O)OC 34a_100000210253_100012276630 [0,2,0,0,0,0|2,0,0]=4 19435 B12R0.200 CCCCCOC(OC)C(=O)OC 34a_100000036821_100000718602 [0,2,0,0,0,0|2,0,0]=4 19436 B12R0.200 CCCCCOC(OC)C(=O)OC 34a_100000210253_100000101307 [0,2,0,0,0,0|2,0,0]=4 19437 B12R0.200 CCCCCSC(C=O)C(=O)OC 62a_100000046368_100000210326 [0,2,0,0,0,0|2,0,0]=4 19438 B12R0.200 CCCCCSC(C=O)C(=O)OC 62a_100000210326_100000046368 [0,2,0,0,0,0|2,0,0]=4 19439 B12R0.200 CCCCCSC(CC)C(=O)OC 62a_100000210326_100000235869 [0,2,0,0,0,0|2,0,0]=4 19440 B12R0.200 CCCCCSC(CC)C(=O)OC 62a_100000235869_100000210326 [0,2,0,0,0,0|2,0,0]=4 19441 B12R0.200 CCCCCSC(CO)C(=O)OC 62a_100000210326_100012276630 [0,2,0,0,0,0|2,0,0]=4 19442 B12R0.200 CCCCCSC(CO)C(=O)OC 62a_100012276630_100000210326 [0,2,0,0,0,0|2,0,0]=4 19443 B12R0.200 CCCCCSC(OC)C(=O)OC 62a_100000101307_100000210326 [0,2,0,0,0,0|2,0,0]=4 19444 B12R0.200 CCCCCSC(OC)C(=O)OC 62a_100000210326_100000101307 [0,2,0,0,0,0|2,0,0]=4 19445 B12R0.200 CCOCCOC(CC)C(=O)CC 34a_200011218131_100000210147 [0,2,0,0,0,0|2,0,0]=4 19446 B12R0.200 CCOCCOC(CC)C(=O)CC 7a_200011218131_100011215890 [0,2,0,0,0,0|2,0,0]=4 19447 B12R0.200 CCSCCOC(CC)C(=O)CC 34a_200011218131_100000757381 [0,2,0,0,0,0|2,0,0]=4 19448 B12R0.200 CCSCCOC(CC)C(=O)CC 7a_200011218131_100000757381 [0,2,0,0,0,0|2,0,0]=4 19449 B12R0.600 CCCCCCC(C)(C)C(=O)CC 1458a_100011290782_100000210202 [0,2,0,0,0,0|0,0,0]=2 19450 B12R0.600 CCCCCCC(C)(C)C(=O)CF 1458a_100011290782_100015361967 [0,2,0,0,0,0|1,0,0]=3 19451 B12R0.600 CCCCCCC(C)(C)C(=O)NC 11a_106832991635_100011290782 [0,2,0,0,0,0|1,0,0]=3 19452 B12R0.600 CCCCCCC(C)(C)C(=O)NC 1626a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 19453 B12R0.600 CCCCCCC(C)(C)C(=O)NC 240690a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 19454 B12R0.600 CCCCCCC(C)(C)C(=O)NC 527a_100102657272_100011290782 [0,2,0,0,0,0|1,0,0]=3 19455 B12R0.600 CCCCCNC(C)(C)C(=O)NC 2230a_100000209983_100000732697 [0,2,0,0,0,0|2,0,0]=4 19456 B12R0.600 CCCCCNC(C)(C)C(=O)OC 2230a_100000209983_100000689032 [0,2,0,0,0,0|2,0,0]=4 19457 B12R0.600 CCCCCNC(C)(F)C(=O)OC 2230a_100000209983_200009867631 [0,2,0,0,0,0|2,0,0]=4 19458 B12R0.600 CCCCCOC(C)(C)C(=O)NC 34a_100000210253_100000732697 [0,2,0,0,0,0|2,0,0]=4 19459 B12R0.600 CCCCCOC(C)(C)C(=O)OC 34a_100011217581_100000718602 [0,2,0,0,0,0|2,0,0]=4 19460 B12R0.600 CCCCCOC(C)(C)C(=O)OC 7a_100011217581_100000210326 [0,2,0,0,0,0|2,0,0]=4 19461 B12R0.600 CCCCCOC(C)(F)C(=O)OC 34a_100000210253_200009867631 [0,2,0,0,0,0|2,0,0]=4 19462 B12R0.600 CCCCCOC(F)(F)C(=O)OC 34a_100000210253_100000211177 [0,2,0,0,0,0|2,0,0]=4 19463 B12R0.600 CCCCCOC(F)(F)C(=O)OC 7a_100000210253_100000211177 [0,2,0,0,0,0|2,0,0]=4 19464 B12R0.600 CCCCCSC(C)(C)C(=O)NC 62a_100000210326_100000732697 [0,2,0,0,0,0|2,0,0]=4 19465 B12R0.600 CCCCCSC(C)(C)C(=O)NC 62a_100000732697_100000210326 [0,2,0,0,0,0|2,0,0]=4 19466 B12R0.600 CCCCCSC(C)(C)C(=O)OC 62a_100000210326_100000689032 [0,2,0,0,0,0|2,0,0]=4 19467 B12R0.600 CCCCCSC(C)(C)C(=O)OC 62a_100000689032_100000210326 [0,2,0,0,0,0|2,0,0]=4 19468 B12R0.600 CCCCCSC(C)(F)C(=O)OC 62a_100000210326_200009867631 [0,2,0,0,0,0|2,0,0]=4 19469 B12R0.600 CCCCCSC(C)(F)C(=O)OC 62a_200009867631_100000210326 [0,2,0,0,0,0|2,0,0]=4 19470 B12R0.600 CCCCCSC(F)(F)C(=O)OC 62a_100000210326_100000211177 [0,2,0,0,0,0|2,0,0]=4 19471 B12R0.600 CCCCCSC(F)(F)C(=O)OC 62a_100000211177_100000210326 [0,2,0,0,0,0|2,0,0]=4 19472 B12R0.600 CCCCOCC(C)(C)C(=O)NC 34a_100000210227_100000702813 [0,2,0,0,0,0|2,0,0]=4 19473 B12R0.600 CCCCOCC(C)(C)C(=O)OC 34a_100000709632_100000210210 [0,2,0,0,0,0|2,0,0]=4 19474 B12R0.600 CCCCOCC(C)(C)C(=O)OC 7a_100000709632_100000210211 [0,2,0,0,0,0|2,0,0]=4 19475 B12R0.600 CCCCOCC(F)(F)C(=O)OC 34a_100000210227_100010295740 [0,2,0,0,0,0|2,0,0]=4 19476 B12R0.600 CCCCSCC(C)(C)C(=O)NC 62a_100000210211_100000702813 [0,2,0,0,0,0|2,0,0]=4 19477 B12R0.600 CCCCSCC(C)(C)C(=O)NC 62a_100000702813_100000210210 [0,2,0,0,0,0|2,0,0]=4 19478 B12R0.600 CCCCSCC(C)(C)C(=O)OC 62a_100000210211_100000684552 [0,2,0,0,0,0|2,0,0]=4 19479 B12R0.600 CCCCSCC(C)(C)C(=O)OC 62a_100000684552_100000210210 [0,2,0,0,0,0|2,0,0]=4 19480 B12R0.600 CCCCSCC(F)(F)C(=O)OC 62a_100000210211_100010295740 [0,2,0,0,0,0|2,0,0]=4 19481 B12R0.600 CCCCSCC(F)(F)C(=O)OC 62a_100010295740_100000210210 [0,2,0,0,0,0|2,0,0]=4 19482 B12R0.600 CCNCCCC(C)(C)C(=O)OC 2230a_100015525214_100010114820 [0,2,0,0,0,0|2,0,0]=4 19483 B12R0.600 CCOCCCC(C)(C)C(=O)OC 34a_100121572206_100010114820 [0,2,0,0,0,0|2,0,0]=4 19484 B12R0.600 CCSCCCC(C)(C)C(=O)OC 62a_100000210202_100010114820 [0,2,0,0,0,0|2,0,0]=4 19485 B12R0.600 CCSCCCC(C)(C)C(=O)OC 62a_100010114820_100000210202 [0,2,0,0,0,0|2,0,0]=4 19486 B12R0.68 C=C(CCC)CC(=O)CC(=O)CC 1458a_100000138376_100000747405 [0,2,0,0,0,0|0,0,2]=4 19487 B12R0.68 CCC(=O)CN(C)CC(O)COC 269982a_100000739405_100000747405 [0,2,0,0,0,0|2,0,0]=4 19488 B12R0.68 CCCC(=O)CC(C)CC(=O)OC 1458a_100000732146_100000210303 [0,2,0,0,0,0|1,0,1]=4 19489 B12R0.68 CCCC(C)CC(=O)CC(=O)CC 1458a_100000748435_100000747405 [0,2,0,0,0,0|0,0,1]=3 19490 B12R0.68 CCCC(C)CC(=O)CC(=O)NC 1458a_100000748435_100000183359 [0,2,0,0,0,0|1,0,1]=4 19491 B12R0.68 CCCC(C)CC(=O)CC(=O)OC 1458a_100000211351_100011216630 [0,2,0,0,0,0|1,0,1]=4 19492 B12R0.68 CCCC(C)CC(=O)CC(=O)OC 1458a_100000748435_100000747449 [0,2,0,0,0,0|1,0,1]=4 19493 B12R0.68 CCCC(C)CN(C)CC(=O)NC 2230a_100000189611_100011216630 [0,2,0,0,0,0|2,0,0]=4 19494 B12R0.68 CCCC(C)CN(C)CC(=O)NC 270004a_100000189611_100000243154 [0,2,0,0,0,0|2,0,0]=4 19495 B12R0.68 CCCC(C)CN(C)CC(=O)OC 2230a_100000198492_100011216630 [0,2,0,0,0,0|2,0,0]=4 19496 B12R0.68 CCCC(C)CN(C)CC(=O)OC 270004a_100000198492_100000243154 [0,2,0,0,0,0|2,0,0]=4 19497 B12R0.68 CCCC(C)NC(C)CC(=O)OC 2230a_100000741246_100009817358 [0,2,0,0,0,0|2,0,0]=4 19498 B12R0.68 CCCC(C)OC(C)CC(=O)OC 34a_100000764384_100009817358 [0,2,0,0,0,0|2,0,0]=4 19499 B12R0.68 CCCC(C)OC(C)CC(=O)OC 7a_100000764384_100009817358 [0,2,0,0,0,0|2,0,0]=4 19500 B12R0.68 CCCC(C)SC(C)CC(=O)OC 62a_100000766640_100009817358 [0,2,0,0,0,0|2,0,0]=4 19501 B12R0.68 CCCC(C)SC(C)CC(=O)OC 62a_100009817358_100000766640 [0,2,0,0,0,0|2,0,0]=4 19502 B12R0.68 CCCS(=O)CC(=O)CC(=O)CC 1458a_100011387404_100000747405 [0,2,0,0,0,0|1,0,1]=4 19503 B12R0.68 CCSC(C)CC(=O)CC(=O)CC 1458a_200011311441_100000747405 [0,2,0,0,0,0|1,0,1]=4 19504 B12R0.126 CCC(=O)CN(CC)CCCCO 269982a_100011217355_100000747405 [0,2,0,0,0,0|2,0,0]=4 19505 B12R0.126 CCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210211 [0,2,0,0,0,0|2,0,0]=4 19506 B12R0.126 CCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210211 [0,2,0,0,0,0|2,0,0]=4 19507 B12R0.657 CCCCOC(C)(C)CC(=O)OC 7a_100015205050_100000210211 [0,2,0,0,0,0|2,0,0]=4 19508 B12R0.176 CCCC(C)(C)COCC(=O)CC 7a_100011995695_100000747405 [0,2,0,0,0,0|1,0,0]=3 19509 B12R0.176 CCCC(C)(C)COCC(=O)NC 7a_100011995695_100000183359 [0,2,0,0,0,0|2,0,0]=4 19510 B12R0.176 CCCC(C)(C)COCC(=O)OC 7a_100011995695_100000747449 [0,2,0,0,0,0|2,0,0]=4 19511 B12R0.176 CCCC(C)(C)OCCC(=O)NC 7a_100000748436_100000737683 [0,2,0,0,0,0|2,0,0]=4 19512 B12R0.176 CCCC(C)(C)OCCC(=O)OC 7a_100000748436_100000204255 [0,2,0,0,0,0|2,0,0]=4 19513 B12R0.176 CCNC(C)(C)COCC(=O)CC 7a_100000747347_100000747405 [0,2,0,0,0,0|2,0,0]=4 19514 B12R0.176 CCO[Si](C)(C)CCCC(=O)CC 1458a_100000210414_100000070546 [0,2,0,0,0,0|1,1,0]=4 19515 B12R0.229 C#CC(CCC)OCCC(=O)NC 34a_200011217317_100012179268 [0,2,0,0,0,0|2,0,0]=4 19516 B12R0.229 C#CC(CCC)OCCC(=O)NC 7a_200011217317_100000737683 [0,2,0,0,0,0|2,0,0]=4 19517 B12R0.229 C#CC(CCC)OCCC(=O)OC 34a_200011217317_100000742370 [0,2,0,0,0,0|2,0,0]=4 19518 B12R0.229 C#CC(CCC)OCCC(=O)OC 7a_200011217317_100000204255 [0,2,0,0,0,0|2,0,0]=4 19519 B12R0.229 C=CC(CCC)OCCC(=O)NC 34a_100011216692_100012179268 [0,2,0,0,0,0|2,0,0]=4 19520 B12R0.229 C=CC(CCC)OCCC(=O)NC 7a_100011216692_100000737683 [0,2,0,0,0,0|2,0,0]=4 19521 B12R0.229 C=CC(CCC)OCCC(=O)OC 34a_100011216692_100000742370 [0,2,0,0,0,0|2,0,0]=4 19522 B12R0.229 C=CC(CCC)OCCC(=O)OC 7a_100011216692_100000204255 [0,2,0,0,0,0|2,0,0]=4 19523 B12R0.229 CCCC(C#N)OCCC(=O)NC 34a_100000686963_100012179268 [0,2,0,0,0,0|2,0,0]=4 19524 B12R0.229 CCCC(C#N)OCCC(=O)NC 7a_100000686963_100000737683 [0,2,0,0,0,0|2,0,0]=4 19525 B12R0.229 CCCC(C#N)OCCC(=O)OC 34a_100000686963_100000742370 [0,2,0,0,0,0|2,0,0]=4 19526 B12R0.229 CCCC(C#N)OCCC(=O)OC 7a_100000686963_100000204255 [0,2,0,0,0,0|2,0,0]=4 19527 B12R0.229 CCCC(CC)NCCC(=O)NC 2230a_100000747048_100000737683 [0,2,0,0,0,0|2,0,0]=4 19528 B12R0.229 CCCC(CC)NCCC(=O)NC 270004a_100000738227_100000687865 [0,2,0,0,0,0|2,0,0]=4 19529 B12R0.229 CCCC(CC)NCCC(=O)OC 2230a_100000747048_100000204255 [0,2,0,0,0,0|2,0,0]=4 19530 B12R0.229 CCCC(CC)OCCC(=O)NC 34a_100000687864_100012179268 [0,2,0,0,0,0|2,0,0]=4 19531 B12R0.229 CCCC(CC)OCCC(=O)NC 7a_100000687864_100000737683 [0,2,0,0,0,0|2,0,0]=4 19532 B12R0.229 CCCC(CC)OCCC(=O)OC 34a_100000687864_100000742370 [0,2,0,0,0,0|2,0,0]=4 19533 B12R0.229 CCCC(CC)OCCC(=O)OC 7a_100000687864_100000204255 [0,2,0,0,0,0|2,0,0]=4 19534 B12R0.229 CCCC(CC)SCCC(=O)NC 62a_100000737683_100011219200 [0,2,0,0,0,0|2,0,0]=4 19535 B12R0.229 CCCC(CC)SCCC(=O)NC 62a_100011219200_100000737683 [0,2,0,0,0,0|2,0,0]=4 19536 B12R0.229 CCCC(CC)SCCC(=O)OC 62a_100000204255_100011219200 [0,2,0,0,0,0|2,0,0]=4 19537 B12R0.229 CCCC(CC)SCCC(=O)OC 62a_100011219200_100000204255 [0,2,0,0,0,0|2,0,0]=4 19538 B12R0.229 CCCN(CC)CCCC(=O)NC 2230a_100000226822_100000741757 [0,2,0,0,0,0|2,0,0]=4 19539 B12R0.229 CCCN(CC)CCCC(=O)NC 269982a_100000226822_100000741757 [0,2,0,0,0,0|2,0,0]=4 19540 B12R0.229 CCCN(CC)CCCC(=O)OC 2230a_100000226822_100011218270 [0,2,0,0,0,0|2,0,0]=4 19541 B12R0.229 CCCN(CC)CCCC(=O)OC 269982a_100000226822_100011218270 [0,2,0,0,0,0|2,0,0]=4 19542 B12R0.229 CCC[C@@H](CO)NCCC(=O)NC 2230a_100000732646_100000737683 [0,2,0,0,0,0|2,0,0]=4 19543 B12R0.229 CCC[C@@H](CO)NCCC(=O)NC 34a_100000732646_100012179268 [0,2,0,0,0,0|2,0,0]=4 19544 B12R0.229 CCC[C@@H](CO)NCCC(=O)OC 2230a_100000732646_100000204255 [0,2,0,0,0,0|2,0,0]=4 19545 B12R0.229 CCC[C@@H](CO)NCCC(=O)OC 34a_100000732646_100000742370 [0,2,0,0,0,0|2,0,0]=4 19546 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 19547 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|2,0,0]=4 19548 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 19549 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 19550 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [1,0,0,1,0,0|2,0,0]=4 19551 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|1,0,0]=3 19552 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 19553 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [1,0,0,1,0,0|2,0,0]=4 19554 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 19555 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [1,0,0,1,0,0|2,0,0]=4 19556 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [1,0,0,1,0,0|2,0,0]=4 19557 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 19558 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [1,0,0,1,0,0|2,0,0]=4 19559 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [1,0,0,1,0,0|2,0,0]=4 19560 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|1,0,0]=3 19561 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [1,0,0,1,0,0|2,0,0]=4 19562 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 19563 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 19564 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,1,0,0|2,0,0]=4 19565 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 19566 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 19567 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,1,0,0|2,0,0]=4 19568 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [1,0,0,1,0,0|2,0,0]=4 19569 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,1,0,0|2,0,0]=4 19570 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,1,0,0|2,0,0]=4 19571 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [1,0,0,1,0,0|2,0,0]=4 19572 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [1,0,0,1,0,0|2,0,0]=4 19573 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [1,0,0,1,0,0|2,0,0]=4 19574 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [1,0,0,1,0,0|0,0,2]=4 19575 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [1,0,0,1,0,0|0,0,2]=4 19576 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|0,0,0]=2 19577 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|0,0,0]=2 19578 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,0]=3 19579 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,0]=3 19580 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|1,0,0]=3 19581 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|1,0,0]=3 19582 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,1,0,0|1,0,0]=3 19583 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,1,0,0|1,0,0]=3 19584 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|1,0,0]=3 19585 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [1,0,0,1,0,0|2,0,0]=4 19586 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 19587 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 19588 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 19589 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,1,0,0|1,0,0]=3 19590 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 19591 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 19592 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 19593 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [1,0,0,1,0,0|2,0,0]=4 19594 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 19595 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 19596 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 19597 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [1,0,0,1,0,0|2,0,0]=4 19598 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 19599 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 19600 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 19601 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [1,0,0,1,0,0|2,0,0]=4 19602 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 19603 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 19604 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 19605 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 19606 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 19607 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 19608 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 19609 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 19610 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [1,0,0,1,0,0|0,0,2]=4 19611 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [1,0,0,1,0,0|0,0,2]=4 19612 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|0,0,0]=2 19613 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,0]=3 19614 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|1,0,0]=3 19615 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,1,0,0|1,0,0]=3 19616 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|1,0,0]=3 19617 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [1,0,0,1,0,0|2,0,0]=4 19618 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [1,0,0,1,0,0|2,0,0]=4 19619 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [1,0,0,1,0,0|2,0,0]=4 19620 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [1,0,0,1,0,0|2,0,0]=4 19621 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [1,0,0,1,0,0|2,0,0]=4 19622 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [1,0,0,1,0,0|1,0,0]=3 19623 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,0,0,1,0,0|1,0,0]=3 19624 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [1,0,0,1,0,0|1,0,0]=3 19625 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [1,0,0,1,0,0|1,0,0]=3 19626 B10R1.24 CCOCSC1CC(=O)C1 62a_100009894365_100000739092 [1,0,0,1,0,0|2,0,0]=4 19627 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [1,0,0,1,0,0|2,0,0]=4 19628 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [1,0,0,1,0,0|2,0,0]=4 19629 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [1,0,0,1,0,0|2,0,0]=4 19630 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [1,0,0,1,0,0|2,0,0]=4 19631 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [1,0,0,1,0,0|2,0,0]=4 19632 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [1,0,0,1,0,0|2,0,0]=4 19633 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [1,0,0,1,0,0|2,0,0]=4 19634 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [1,0,0,1,0,0|2,0,0]=4 19635 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [1,0,0,1,0,0|2,0,0]=4 19636 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [1,0,0,1,0,0|2,0,0]=4 19637 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [1,0,0,1,0,0|2,0,0]=4 19638 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [1,0,0,1,0,0|2,0,0]=4 19639 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [1,0,0,1,0,0|2,0,0]=4 19640 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [1,0,0,1,0,0|2,0,0]=4 19641 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [1,0,0,1,0,0|2,0,0]=4 19642 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [1,0,0,1,0,0|2,0,0]=4 19643 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [1,0,0,1,0,0|2,0,0]=4 19644 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [1,0,0,1,0,0|2,0,0]=4 19645 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [1,0,0,1,0,0|2,0,0]=4 19646 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 19647 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 19648 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 19649 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|1,0,0]=3 19650 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|1,0,0]=3 19651 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|1,0,0]=3 19652 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|2,0,0]=4 19653 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|2,0,0]=4 19654 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|1,0,1]=4 19655 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|0,0,0]=2 19656 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|1,0,0]=3 19657 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 19658 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 19659 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 19660 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,0,0,1,0,0|1,0,0]=3 19661 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 19662 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 19663 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [1,0,0,1,0,0|2,0,0]=4 19664 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,0,0,1,0,0|1,0,0]=3 19665 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|0,0,0]=2 19666 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [1,0,0,1,0,0|2,0,0]=4 19667 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 19668 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 19669 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 19670 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|2,0,0]=4 19671 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,0,0,1,0,0|1,0,0]=3 19672 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|1,0,0]=3 19673 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 19674 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 19675 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 19676 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|2,0,0]=4 19677 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [1,0,0,1,0,0|2,0,0]=4 19678 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [1,0,0,1,0,0|2,0,0]=4 19679 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 19680 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 19681 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 19682 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 19683 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 19684 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [1,0,0,1,0,0|2,0,0]=4 19685 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 19686 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 19687 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [1,0,0,1,0,0|2,0,0]=4 19688 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [1,0,0,1,0,0|2,0,0]=4 19689 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [1,0,0,1,0,0|2,0,0]=4 19690 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [1,0,0,1,0,0|2,0,0]=4 19691 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [1,0,0,1,0,0|2,0,0]=4 19692 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [1,0,0,1,0,0|2,0,0]=4 19693 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [1,0,0,1,0,0|2,0,0]=4 19694 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [1,0,0,1,0,0|2,0,0]=4 19695 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [1,0,0,1,0,0|2,0,0]=4 19696 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [1,0,0,1,0,0|2,0,0]=4 19697 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [1,0,0,1,0,0|2,0,0]=4 19698 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [1,0,0,1,0,0|2,0,0]=4 19699 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [1,0,0,1,0,0|2,0,0]=4 19700 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [1,0,0,1,0,0|2,0,0]=4 19701 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|0,0,0]=2 19702 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|0,0,0]=2 19703 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|1,0,0]=3 19704 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [1,0,0,1,0,0|2,0,0]=4 19705 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [1,0,0,1,0,0|2,0,0]=4 19706 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,1,0,0|1,0,0]=3 19707 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,1,0,0|1,0,0]=3 19708 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,1,0,0|1,0,0]=3 19709 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [1,0,0,1,0,0|2,0,0]=4 19710 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [1,0,0,1,0,0|2,0,0]=4 19711 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,1,0,0|1,0,0]=3 19712 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,1,0,0|1,0,0]=3 19713 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [1,0,0,1,0,0|2,0,0]=4 19714 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 19715 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 19716 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 19717 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,1,0,0|1,0,0]=3 19718 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 19719 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 19720 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 19721 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [1,0,0,1,0,0|2,0,0]=4 19722 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 19723 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 19724 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 19725 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,1,0,0|2,0,0]=4 19726 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [1,0,0,1,0,0|2,0,0]=4 19727 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [1,0,0,1,0,0|2,0,0]=4 19728 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 19729 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 19730 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [1,0,0,1,0,0|2,0,0]=4 19731 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [1,0,0,1,0,0|2,0,0]=4 19732 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [1,0,0,1,0,0|2,0,0]=4 19733 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [1,0,0,1,0,0|2,0,0]=4 19734 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [1,0,0,1,0,0|2,0,0]=4 19735 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [1,0,0,1,0,0|2,0,0]=4 19736 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [1,0,0,1,0,0|2,0,0]=4 19737 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [1,0,0,1,0,0|2,0,0]=4 19738 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [1,0,0,1,0,0|2,0,0]=4 19739 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,1,0,0|2,0,0]=4 19740 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [1,0,0,1,0,0|2,0,0]=4 19741 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [1,0,0,1,0,0|2,0,0]=4 19742 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [1,0,0,1,0,0|2,0,0]=4 19743 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [1,0,0,1,0,0|2,0,0]=4 19744 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|0,0,0]=2 19745 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|1,0,0]=3 19746 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [1,0,0,1,0,0|2,0,0]=4 19747 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,1,0,0|1,0,0]=3 19748 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [1,0,0,1,0,0|2,0,0]=4 19749 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,1,0,0|1,0,0]=3 19750 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [1,0,0,1,0,0|2,0,0]=4 19751 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [1,0,0,1,0,0|2,0,0]=4 19752 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [1,0,0,1,0,0|2,0,0]=4 19753 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [1,0,0,1,0,0|2,0,0]=4 19754 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [1,0,0,1,0,0|2,0,0]=4 19755 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 19756 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 19757 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 19758 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 19759 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 19760 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 19761 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|2,0,0]=4 19762 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 19763 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 19764 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 19765 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [1,0,0,1,0,0|2,0,0]=4 19766 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [1,0,0,1,0,0|2,0,0]=4 19767 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [1,0,0,1,0,0|2,0,0]=4 19768 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [1,0,0,1,0,0|1,0,1]=4 19769 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [1,0,0,1,0,0|1,0,0]=3 19770 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [1,0,0,1,0,0|2,0,0]=4 19771 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [1,0,0,1,0,0|2,0,0]=4 19772 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [1,0,0,1,0,0|2,0,0]=4 19773 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [1,0,0,1,0,0|2,0,0]=4 19774 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [1,0,0,1,0,0|2,0,0]=4 19775 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [1,0,0,1,0,0|2,0,0]=4 19776 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [1,0,0,1,0,0|2,0,0]=4 19777 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [1,0,0,1,0,0|2,0,0]=4 19778 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [1,0,0,1,0,0|2,0,0]=4 19779 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [1,0,0,1,0,0|2,0,0]=4 19780 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [1,0,0,1,0,0|2,0,0]=4 19781 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [1,0,0,1,0,0|2,0,0]=4 19782 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [1,0,0,1,0,0|2,0,0]=4 19783 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [1,0,0,1,0,0|2,0,0]=4 19784 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [1,0,0,1,0,0|2,0,0]=4 19785 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [1,0,0,1,0,0|2,0,0]=4 19786 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [1,0,0,1,0,0|1,0,0]=3 19787 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,0,0,1,0,0|1,0,0]=3 19788 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [1,0,0,1,0,0|1,0,0]=3 19789 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,0,0,1,0,0|1,0,0]=3 19790 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,0,0,1,0,0|1,0,0]=3 19791 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [1,0,0,1,0,0|2,0,0]=4 19792 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [1,0,0,1,0,0|2,0,0]=4 19793 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [1,0,0,1,0,0|2,0,0]=4 19794 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [1,0,0,1,0,0|2,0,0]=4 19795 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [1,0,0,1,0,0|1,0,0]=3 19796 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [1,0,0,1,0,0|1,0,0]=3 19797 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [1,0,0,1,0,0|2,0,0]=4 19798 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [1,0,0,1,0,0|2,0,0]=4 19799 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [1,0,0,1,0,0|2,0,0]=4 19800 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [1,0,0,1,0,0|2,0,0]=4 19801 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [1,0,0,1,0,0|2,0,0]=4 19802 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [1,0,0,1,0,0|2,0,0]=4 19803 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|1,0,0]=3 19804 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [1,0,0,1,0,0|2,0,0]=4 19805 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [1,0,0,1,0,0|2,0,0]=4 19806 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [1,0,0,1,0,0|2,0,0]=4 19807 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [1,0,0,1,0,0|2,0,0]=4 19808 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [1,0,0,1,0,0|2,0,0]=4 19809 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [1,0,0,1,0,0|2,0,0]=4 19810 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [1,0,0,1,0,0|2,0,0]=4 19811 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [1,0,0,1,0,0|2,0,0]=4 19812 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [1,0,0,1,0,0|2,0,0]=4 19813 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [1,0,0,1,0,0|2,0,0]=4 19814 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [1,0,0,1,0,0|2,0,0]=4 19815 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [1,0,0,1,0,0|2,0,0]=4 19816 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [1,0,0,1,0,0|2,0,0]=4 19817 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [1,0,0,1,0,0|2,0,0]=4 19818 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [1,0,0,1,0,0|2,0,0]=4 19819 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [1,0,0,1,0,0|2,0,0]=4 19820 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [1,0,0,1,0,0|2,0,0]=4 19821 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [1,0,0,1,0,0|2,0,0]=4 19822 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [1,0,0,1,0,0|2,0,0]=4 19823 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [1,0,0,1,0,0|2,0,0]=4 19824 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [1,0,0,1,0,0|2,0,0]=4 19825 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [1,0,0,1,0,0|2,0,0]=4 19826 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [1,0,0,1,0,0|2,0,0]=4 19827 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [1,0,0,1,0,0|2,0,0]=4 19828 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [1,0,0,1,0,0|2,0,0]=4 19829 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [1,0,0,1,0,0|2,0,0]=4 19830 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,0|2,0,0]=4 19831 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [1,0,0,1,0,0|2,0,0]=4 19832 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [1,0,0,1,0,0|2,0,0]=4 19833 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [1,0,0,1,0,0|2,0,0]=4 19834 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [1,0,0,1,0,0|2,0,0]=4 19835 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [1,0,0,1,0,0|2,0,0]=4 19836 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [1,0,0,1,0,0|2,0,0]=4 19837 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [1,0,0,1,0,0|2,0,0]=4 19838 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [1,0,0,1,0,0|2,0,0]=4 19839 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [1,0,0,1,0,0|2,0,0]=4 19840 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [1,0,0,1,0,0|2,0,0]=4 19841 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [1,0,0,1,0,0|2,0,0]=4 19842 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [1,0,0,1,0,0|2,0,0]=4 19843 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [1,0,0,1,0,0|2,0,0]=4 19844 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [1,0,0,1,0,0|2,0,0]=4 19845 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [1,0,0,1,0,0|2,0,0]=4 19846 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [1,0,0,1,0,0|1,0,0]=3 19847 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [1,0,0,1,0,0|1,0,0]=3 19848 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [1,0,0,1,0,0|2,0,0]=4 19849 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [1,0,0,1,0,0|2,0,0]=4 19850 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [1,0,0,1,0,0|2,0,0]=4 19851 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [1,0,0,1,0,0|1,0,0]=3 19852 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [1,0,0,1,0,0|2,0,0]=4 19853 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [1,0,0,1,0,0|1,0,0]=3 19854 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [1,0,0,1,0,0|2,0,0]=4 19855 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [1,0,0,1,0,0|2,0,0]=4 19856 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [1,0,0,1,0,0|2,0,0]=4 19857 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [1,0,0,1,0,0|2,0,0]=4 19858 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [1,0,0,1,0,0|2,0,0]=4 19859 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [1,0,0,1,0,0|2,0,0]=4 19860 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [1,0,0,1,0,0|2,0,0]=4 19861 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [1,0,0,1,0,0|2,0,0]=4 19862 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [1,0,0,1,0,0|2,0,0]=4 19863 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [1,0,0,1,0,0|2,0,0]=4 19864 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [1,0,0,1,0,0|2,0,0]=4 19865 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [1,0,0,1,0,0|2,0,0]=4 19866 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [1,0,0,1,0,0|2,0,0]=4 19867 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [1,0,0,1,0,0|2,0,0]=4 19868 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [1,0,0,1,0,0|2,0,0]=4 19869 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [1,0,0,1,0,0|2,0,0]=4 19870 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [1,0,0,1,0,0|2,0,0]=4 19871 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [1,0,0,1,0,0|2,0,0]=4 19872 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [1,0,0,1,0,0|2,0,0]=4 19873 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [1,0,0,1,0,0|2,0,0]=4 19874 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [1,0,0,1,0,0|2,0,0]=4 19875 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [1,0,0,1,0,0|2,0,0]=4 19876 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [1,0,0,1,0,0|2,0,0]=4 19877 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [1,0,0,1,0,0|2,0,0]=4 19878 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [1,0,0,1,0,0|2,0,0]=4 19879 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [1,0,0,1,0,0|2,0,0]=4 19880 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [1,0,0,1,0,0|2,0,0]=4 19881 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [1,0,0,1,0,0|0,0,2]=4 19882 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|0,0,0]=2 19883 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|0,0,0]=2 19884 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 19885 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 19886 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 19887 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|1,0,0]=3 19888 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 19889 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 19890 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 19891 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [1,0,0,1,0,0|2,0,0]=4 19892 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 19893 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 19894 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [1,0,0,1,0,0|2,0,0]=4 19895 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [1,0,0,1,0,0|2,0,0]=4 19896 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 19897 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 19898 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 19899 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 19900 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [1,0,0,1,0,0|0,0,2]=4 19901 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|0,0,0]=2 19902 B10R1.4 CC1CCCCC1NCF 34a_100000211402_100015361967 [1,0,0,1,0,0|2,0,0]=4 19903 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [1,0,0,1,0,0|2,0,0]=4 19904 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [1,0,0,1,0,0|2,0,0]=4 19905 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 19906 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 19907 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|1,0,1]=4 19908 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 19909 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 19910 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|1,0,1]=4 19911 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [1,0,0,1,0,0|1,0,1]=4 19912 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [1,0,0,1,0,0|1,0,1]=4 19913 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [1,0,0,1,0,0|1,0,1]=4 19914 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [1,0,0,1,0,0|1,0,0]=3 19915 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [1,0,0,1,0,0|1,0,0]=3 19916 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [1,0,0,1,0,0|1,0,0]=3 19917 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [1,0,0,1,0,0|1,0,0]=3 19918 B10R1.4 CCNC1CCNCC1C 270004a_100015525214_100000703950 [1,0,0,1,0,0|2,0,0]=4 19919 B10R1.4 CCNC1CCOCC1C 270004a_100015525214_100000755695 [1,0,0,1,0,0|2,0,0]=4 19920 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000210202 [1,0,0,1,0,0|2,0,0]=4 19921 B10R1.4 CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000210202 [1,0,0,1,0,0|2,0,0]=4 19922 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [1,0,0,1,0,0|1,0,0]=3 19923 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [1,0,0,1,0,0|1,0,0]=3 19924 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 19925 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 19926 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [1,0,0,1,0,0|2,0,0]=4 19927 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [1,0,0,1,0,0|2,0,0]=4 19928 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [1,0,0,1,0,0|2,0,0]=4 19929 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [1,0,0,1,0,0|2,0,0]=4 19930 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [1,0,0,1,0,0|2,0,0]=4 19931 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [1,0,0,1,0,0|2,0,0]=4 19932 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [1,0,0,1,0,0|2,0,0]=4 19933 B10R1.4 CCSC1CCCCC1F 62a_100000210202_100015423560 [1,0,0,1,0,0|2,0,0]=4 19934 B10R1.4 CCSC1CCCCC1F 62a_100015423560_100000210202 [1,0,0,1,0,0|2,0,0]=4 19935 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [1,0,0,1,0,0|2,0,0]=4 19936 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [1,0,0,1,0,0|2,0,0]=4 19937 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|1,0,1]=4 19938 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|1,0,1]=4 19939 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 19940 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 19941 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 19942 B10R1.5 CCN1CCCC1CNC 2230a_100000211693_200000210301 [1,0,0,1,0,0|2,0,0]=4 19943 B10R1.5 CCN1CCCC1CN[13CH3] 2230a_100000211693_200025704644 [1,0,0,1,0,0|2,0,0]=4 19944 B10R1.5 CCN1CCC[C@@H]1COC 34a_100011739246_200000210301 [1,0,0,1,0,0|2,0,0]=4 19945 B10R1.5 CCN1CCC[C@@H]1COC 7a_100011739246_200000210301 [1,0,0,1,0,0|2,0,0]=4 19946 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 34a_100011739246_200025704644 [1,0,0,1,0,0|2,0,0]=4 19947 B10R1.5 CCN1CCC[C@@H]1CO[13CH3] 7a_100011739246_200025704644 [1,0,0,1,0,0|2,0,0]=4 19948 B10R1.5 CCN1CCC[C@H]1COC 2230a_100020646714_100000210202 [1,0,0,1,0,0|2,0,0]=4 19949 B10R1.5 CCN1CCC[C@H]1COC 269982a_100020646714_100000204670 [1,0,0,1,0,0|2,0,0]=4 19950 B10R1.5 CCN1CCC[C@H]1COC 34a_100020646714_100000210202 [1,0,0,1,0,0|2,0,0]=4 19951 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [1,0,0,1,0,0|1,0,0]=3 19952 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [1,0,0,1,0,0|1,0,0]=3 19953 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [1,0,0,1,0,0|1,0,1]=4 19954 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [1,0,0,1,0,0|1,0,1]=4 19955 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [1,0,0,1,0,0|1,0,1]=4 19956 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [1,0,0,1,0,0|2,0,0]=4 19957 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [1,0,0,1,0,0|2,0,0]=4 19958 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [1,0,0,1,0,0|2,0,0]=4 19959 B10R1.17 CCCCN1CCSCC1 2230a_100000737611_100000210211 [1,0,0,1,0,0|2,0,0]=4 19960 B10R1.17 CCCCN1CCSCC1 269982a_100000737611_100000210211 [1,0,0,1,0,0|2,0,0]=4 19961 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [1,0,0,1,0,0|1,0,1]=4 19962 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [1,0,0,1,0,0|1,0,1]=4 19963 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [1,0,0,1,0,0|1,0,1]=4 19964 B10R1.17 CCCNC1CCNCC1 270004a_100020643023_100015192401 [1,0,0,1,0,0|2,0,0]=4 19965 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [1,0,0,1,0,0|2,0,0]=4 19966 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [1,0,0,1,0,0|2,0,0]=4 19967 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [1,0,0,1,0,0|2,0,0]=4 19968 B10R1.17 CCCNC1CCSCC1 2230a_100000748639_100000210303 [1,0,0,1,0,0|2,0,0]=4 19969 B10R1.17 CCCNC1CCSCC1 270004a_100020643023_100000203788 [1,0,0,1,0,0|2,0,0]=4 19970 B10R1.17 CCCNC1CCSCC1 34a_100000748639_100000210303 [1,0,0,1,0,0|2,0,0]=4 19971 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [1,0,0,1,0,0|1,0,1]=4 19972 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,0,0,1,0,0|1,0,1]=4 19973 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,0,0,1,0,0|1,0,1]=4 19974 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,0,0,1,0,0|1,0,1]=4 19975 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [1,0,0,1,0,0|2,0,0]=4 19976 B10R1.17 CCCOC1CCSCC1 34a_100000210258_100000069128 [1,0,0,1,0,0|2,0,0]=4 19977 B10R1.17 CCCOC1CCSCC1 34a_100000731022_100000210303 [1,0,0,1,0,0|2,0,0]=4 19978 B10R1.17 CCCOC1CCSCC1 7a_100000731022_100000210303 [1,0,0,1,0,0|2,0,0]=4 19979 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [1,0,0,1,0,0|1,0,1]=4 19980 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [1,0,0,1,0,0|1,0,1]=4 19981 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [1,0,0,1,0,0|2,0,0]=4 19982 B10R1.17 CCCSC1CCSCC1 62a_100000210303_100000069128 [1,0,0,1,0,0|2,0,0]=4 19983 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [1,0,0,1,0,0|1,0,1]=4 19984 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,0,0,1,0,0|1,0,0]=3 19985 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,0,0,1,0,0|1,0,0]=3 19986 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,0,0,1,0,0|1,0,0]=3 19987 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,0,0,1,0,0|1,0,0]=3 19988 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [1,0,0,1,0,0|2,0,0]=4 19989 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [1,0,0,1,0,0|2,0,0]=4 19990 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [1,0,0,1,0,0|2,0,0]=4 19991 B10R1.17 CCNCC1CCCOC1 2230a_100000720124_100000210202 [1,0,0,1,0,0|2,0,0]=4 19992 B10R1.17 CCNCC1CCCOC1 2230a_100015525214_100000741521 [1,0,0,1,0,0|2,0,0]=4 19993 B10R1.17 CCNCC1CCCOC1 34a_100000720124_100000210202 [1,0,0,1,0,0|2,0,0]=4 19994 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [1,0,0,1,0,0|2,0,0]=4 19995 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [1,0,0,1,0,0|2,0,0]=4 19996 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [1,0,0,1,0,0|2,0,0]=4 19997 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [1,0,0,1,0,0|2,0,0]=4 19998 B10R1.17 CCNCC1CCSCC1 2230a_100015188806_100000210202 [1,0,0,1,0,0|2,0,0]=4 19999 B10R1.17 CCNCC1CCSCC1 269862a_100015525214_100000067145 [1,0,0,1,0,0|2,0,0]=4 20000 B10R1.17 CCNCC1CCSCC1 270004a_100015525214_100000067145 [1,0,0,1,0,0|2,0,0]=4 20001 B10R1.17 CCNCC1CCSCC1 34a_100015188806_100000210202 [1,0,0,1,0,0|2,0,0]=4 20002 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [1,0,0,1,0,0|1,0,1]=4 20003 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,1,0,0|1,0,0]=3 20004 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,1,0,0|1,0,0]=3 20005 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,1,0,0|1,0,0]=3 20006 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 20007 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,1,0,0|2,0,0]=4 20008 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,1,0,0|2,0,0]=4 20009 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,1,0,0|2,0,0]=4 20010 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [1,0,0,1,0,0|2,0,0]=4 20011 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [1,0,0,1,0,0|2,0,0]=4 20012 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [1,0,0,1,0,0|2,0,0]=4 20013 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [1,0,0,1,0,0|2,0,0]=4 20014 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [1,0,0,1,0,0|2,0,0]=4 20015 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [1,0,0,1,0,0|2,0,0]=4 20016 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [1,0,0,1,0,0|2,0,0]=4 20017 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [1,0,0,1,0,0|2,0,0]=4 20018 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,0,0,1,0,0|1,0,0]=3 20019 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,0,0,1,0,0|1,0,0]=3 20020 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [1,0,0,1,0,0|2,0,0]=4 20021 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [1,0,0,1,0,0|2,0,0]=4 20022 B10R1.17 CCSCC1CCCOC1 62a_100000210202_100000741521 [1,0,0,1,0,0|2,0,0]=4 20023 B10R1.17 CCSCC1CCCOC1 62a_100000741521_100000210202 [1,0,0,1,0,0|2,0,0]=4 20024 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [1,0,0,1,0,0|2,0,0]=4 20025 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [1,0,0,1,0,0|2,0,0]=4 20026 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 20027 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|1,0,1]=4 20028 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|1,0,1]=4 20029 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|1,0,1]=4 20030 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|1,0,1]=4 20031 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|1,0,1]=4 20032 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [1,0,0,1,0,0|2,0,0]=4 20033 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [1,0,0,1,0,0|2,0,0]=4 20034 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [1,0,0,1,0,0|2,0,0]=4 20035 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [1,0,0,1,0,0|2,0,0]=4 20036 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [1,0,0,1,0,0|2,0,0]=4 20037 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|1,0,1]=4 20038 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|1,0,1]=4 20039 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|1,0,1]=4 20040 B10R1.17 COCCC1CCNCC1 34a_100015190746_200000210301 [1,0,0,1,0,0|2,0,0]=4 20041 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [1,0,0,1,0,0|2,0,0]=4 20042 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [1,0,0,1,0,0|2,0,0]=4 20043 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [1,0,0,1,0,0|2,0,0]=4 20044 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|1,0,1]=4 20045 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|1,0,1]=4 20046 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [1,0,0,1,0,0|2,0,0]=4 20047 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [1,0,0,1,0,0|2,0,0]=4 20048 B10R1.17 FCNCC1CCCCC1 34a_100000210473_100015361967 [1,0,0,1,0,0|2,0,0]=4 20049 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [1,0,0,1,0,0|2,0,0]=4 20050 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [1,0,0,1,0,0|2,0,0]=4 20051 B10R1.17 FCSCC1CCCCC1 62a_100000211423_100015361967 [1,0,0,1,0,0|2,0,0]=4 20052 B10R1.17 FCSCC1CCCCC1 62a_100015361967_100000211423 [1,0,0,1,0,0|2,0,0]=4 20053 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 20054 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|1,0,1]=4 20055 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [1,0,0,1,0,0|2,0,0]=4 20056 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [1,0,0,1,0,0|2,0,0]=4 20057 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|1,0,1]=4 20058 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|1,0,1]=4 20059 B10R1.17 [13CH3]OCCC1CCNCC1 34a_100015190746_200025704644 [1,0,0,1,0,0|2,0,0]=4 20060 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [1,0,0,1,0,0|2,0,0]=4 20061 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [1,0,0,1,0,0|2,0,0]=4 20062 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|1,0,1]=4 20063 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|1,0,1]=4 20064 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [1,0,0,1,0,0|2,0,0]=4 20065 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [1,0,0,1,0,0|2,0,0]=4 20066 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|1,0,1]=4 20067 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|1,0,1]=4 20068 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|1,0,1]=4 20069 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|1,0,1]=4 20070 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|1,0,1]=4 20071 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|1,0,1]=4 20072 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [1,0,0,1,0,0|1,0,0]=3 20073 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [1,0,0,1,0,0|1,0,0]=3 20074 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [1,0,0,1,0,0|1,0,0]=3 20075 B10R1.20 CCC1CCCCN1CF 269982a_100000210034_100015361967 [1,0,0,1,0,0|2,0,0]=4 20076 B10R1.20 CCC1CCCCN1CF 34a_100000210034_100015361967 [1,0,0,1,0,0|2,0,0]=4 20077 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 20078 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [1,0,0,1,0,0|2,0,0]=4 20079 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 20080 B10R1.20 CC[C@H]1COCCN1CC 2230a_100016988097_100000210202 [1,0,0,1,0,0|2,0,0]=4 20081 B10R1.20 CC[C@H]1COCCN1CC 269982a_100016988097_100000204670 [1,0,0,1,0,0|2,0,0]=4 20082 B10R1.20 CC[C@H]1COCCN1CC 34a_100016988097_100000210202 [1,0,0,1,0,0|2,0,0]=4 20083 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [1,0,0,1,0,0|1,0,1]=4 20084 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [1,0,0,1,0,0|1,0,1]=4 20085 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [1,0,0,1,0,0|1,0,1]=4 20086 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [1,0,0,1,0,0|1,0,1]=4 20087 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [1,0,0,1,0,0|1,0,1]=4 20088 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [1,0,0,1,0,0|1,0,1]=4 20089 B10R1.21 CC/C=C\CN1CCCC1 2230a_100000188435_100103147603 [1,0,0,1,0,0|1,0,1]=4 20090 B10R1.21 CC/C=C\CN1CCCC1 269982a_100000188435_100103147603 [1,0,0,1,0,0|1,0,1]=4 20091 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [1,0,0,1,0,0|1,0,1]=4 20092 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [1,0,0,1,0,0|1,0,1]=4 20093 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [1,0,0,1,0,0|1,0,1]=4 20094 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [1,0,0,1,0,0|1,0,1]=4 20095 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [1,0,0,1,0,0|1,0,1]=4 20096 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [1,0,0,1,0,0|1,0,1]=4 20097 B10R1.21 CCC=NNC1CCCC1 4a_100000737850_100000210100 [1,0,0,1,0,0|2,0,0]=4 20098 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [1,0,0,1,0,0|1,0,1]=4 20099 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [1,0,0,1,0,0|1,0,1]=4 20100 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [1,0,0,1,0,0|1,0,1]=4 20101 B10R1.21 CCCCCN1CCSC1 2230a_100011215254_100000210326 [1,0,0,1,0,0|2,0,0]=4 20102 B10R1.21 CCCCCN1CCSC1 269982a_100011215254_100000210215 [1,0,0,1,0,0|2,0,0]=4 20103 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [1,0,0,1,0,0|1,0,1]=4 20104 B10R1.21 CCCCNC1CCCC1 2230a_100000102301_100000179811 [1,0,0,1,0,0|1,0,1]=4 20105 B10R1.21 CCCCNC1CCCC1 2230a_100000211070_100000210211 [1,0,0,1,0,0|1,0,1]=4 20106 B10R1.21 CCCCNC1CCCC1 270004a_100000102301_100000210133 [1,0,0,1,0,0|1,0,1]=4 20107 B10R1.21 CCCCNC1CCCC1 34a_100000211070_100000210210 [1,0,0,1,0,0|1,0,1]=4 20108 B10R1.21 CCCCNC1CCCC1 7a_106832991798_100000179811 [1,0,0,1,0,0|1,0,1]=4 20109 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [1,0,0,1,0,0|2,0,0]=4 20110 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [1,0,0,1,0,0|2,0,0]=4 20111 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [1,0,0,1,0,0|2,0,0]=4 20112 B10R1.21 CCCCNC1CCSC1 270004a_100000102301_100000212027 [1,0,0,1,0,0|2,0,0]=4 20113 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [1,0,0,1,0,0|2,0,0]=4 20114 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [1,0,0,1,0,0|2,0,0]=4 20115 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [1,0,0,1,0,0|2,0,0]=4 20116 B10R1.21 CCCCOC1CCCC1 34a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 20117 B10R1.21 CCCCOC1CCCC1 34a_100000210269_100000210210 [1,0,0,1,0,0|1,0,1]=4 20118 B10R1.21 CCCCOC1CCCC1 7a_100000210227_100000179811 [1,0,0,1,0,0|1,0,1]=4 20119 B10R1.21 CCCCOC1CCCC1 7a_100000210269_100000210211 [1,0,0,1,0,0|1,0,1]=4 20120 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [1,0,0,1,0,0|2,0,0]=4 20121 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [1,0,0,1,0,0|2,0,0]=4 20122 B10R1.21 CCCCOC1CCSC1 7a_100011232664_100000210211 [1,0,0,1,0,0|2,0,0]=4 20123 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [1,0,0,1,0,0|2,0,0]=4 20124 B10R1.21 CCCCSC1CCCC1 62a_100000210211_100000179811 [1,0,0,1,0,0|1,0,1]=4 20125 B10R1.21 CCCCSC1CCCC1 62a_100011217020_100000210210 [1,0,0,1,0,0|1,0,1]=4 20126 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [1,0,0,1,0,0|2,0,0]=4 20127 B10R1.21 CCCNCC1CCCC1 2230a_100000737975_100000210303 [1,0,0,1,0,0|1,0,1]=4 20128 B10R1.21 CCCNCC1CCCC1 269862a_100020643023_100000746403 [1,0,0,1,0,0|1,0,1]=4 20129 B10R1.21 CCCNCC1CCCC1 34a_100000737975_100000210303 [1,0,0,1,0,0|1,0,1]=4 20130 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [1,0,0,1,0,0|2,0,0]=4 20131 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [1,0,0,1,0,0|2,0,0]=4 20132 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [1,0,0,1,0,0|1,0,1]=4 20133 B10R1.21 CCCOCC1CCCC1 34a_100000210258_100000740388 [1,0,0,1,0,0|1,0,1]=4 20134 B10R1.21 CCCOCC1CCCC1 34a_100000742336_100000210303 [1,0,0,1,0,0|1,0,1]=4 20135 B10R1.21 CCCOCC1CCCC1 7a_100000742336_100000210303 [1,0,0,1,0,0|1,0,1]=4 20136 B10R1.21 CCCOCC1CCNC1 34a_100000748654_100000210303 [1,0,0,1,0,0|2,0,0]=4 20137 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [1,0,0,1,0,0|2,0,0]=4 20138 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [1,0,0,1,0,0|2,0,0]=4 20139 B10R1.21 CCCSCC1CCCC1 62a_100000210303_100000740388 [1,0,0,1,0,0|1,0,1]=4 20140 B10R1.21 CCCSCC1CCCC1 62a_100000740388_100000210303 [1,0,0,1,0,0|1,0,1]=4 20141 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [1,0,0,1,0,0|2,0,0]=4 20142 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [1,0,0,1,0,0|2,0,0]=4 20143 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,1,0,0|1,0,0]=3 20144 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,1,0,0|1,0,0]=3 20145 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,1,0,0|1,0,0]=3 20146 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|1,0,0]=3 20147 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|1,0,0]=3 20148 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|1,0,0]=3 20149 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [1,0,0,1,0,0|2,0,0]=4 20150 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [1,0,0,1,0,0|2,0,0]=4 20151 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [1,0,0,1,0,0|2,0,0]=4 20152 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [1,0,0,1,0,0|2,0,0]=4 20153 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [1,0,0,1,0,0|2,0,0]=4 20154 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [1,0,0,1,0,0|2,0,0]=4 20155 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,1,0,0|1,0,0]=3 20156 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,1,0,0|1,0,0]=3 20157 B10R1.21 CCSCCN1CCCC1 2230a_100000188435_100000757381 [1,0,0,1,0,0|2,0,0]=4 20158 B10R1.21 CCSCCN1CCCC1 269982a_100000188435_100000757381 [1,0,0,1,0,0|2,0,0]=4 20159 B10R1.21 CCSCCN1CCCC1 62a_100000210202_100000004467 [1,0,0,1,0,0|2,0,0]=4 20160 B10R1.21 CCSCCN1CCCC1 62a_100000700749_100000210202 [1,0,0,1,0,0|2,0,0]=4 20161 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 20162 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 20163 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|1,0,1]=4 20164 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|1,0,1]=4 20165 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|1,0,1]=4 20166 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|1,0,1]=4 20167 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|1,0,1]=4 20168 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|1,0,1]=4 20169 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|1,0,1]=4 20170 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|1,0,1]=4 20171 B10R1.21 FCNCCC1CCCC1 34a_100000739158_100015361967 [1,0,0,1,0,0|2,0,0]=4 20172 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [1,0,0,1,0,0|2,0,0]=4 20173 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [1,0,0,1,0,0|2,0,0]=4 20174 B10R1.21 FCSCCC1CCCC1 62a_100000760354_100015361967 [1,0,0,1,0,0|2,0,0]=4 20175 B10R1.21 FCSCCC1CCCC1 62a_100015361967_100000760354 [1,0,0,1,0,0|2,0,0]=4 20176 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 20177 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|1,0,1]=4 20178 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|1,0,1]=4 20179 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|1,0,1]=4 20180 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|1,0,1]=4 20181 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|1,0,1]=4 20182 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [1,0,0,1,0,0|1,0,1]=4 20183 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [1,0,0,1,0,0|1,0,1]=4 20184 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [1,0,0,1,0,0|1,0,1]=4 20185 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [1,0,0,1,0,0|1,0,1]=4 20186 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [1,0,0,1,0,0|1,0,1]=4 20187 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [1,0,0,1,0,0|1,0,1]=4 20188 B10R1.29 CCCCN1CCC[C@@H]1C 2230a_100020605311_100000210211 [1,0,0,1,0,0|1,0,1]=4 20189 B10R1.29 CCCCN1CCC[C@@H]1C 269982a_100020605311_100000210211 [1,0,0,1,0,0|1,0,1]=4 20190 B10R1.29 CCCCN1CCC[C@H]1C 2230a_100015189458_100000210211 [1,0,0,1,0,0|1,0,1]=4 20191 B10R1.29 CCCCN1CCC[C@H]1C 269982a_100015189458_100000210211 [1,0,0,1,0,0|1,0,1]=4 20192 B10R1.29 CCCCN1CCC[C@H]1C 34a_100015189458_100000210210 [1,0,0,1,0,0|1,0,1]=4 20193 B10R1.29 CCCCN1CCSC1C 2230a_200011216479_100000210211 [1,0,0,1,0,0|2,0,0]=4 20194 B10R1.29 CCCCN1CCSC1C 269982a_200011216479_100000210211 [1,0,0,1,0,0|2,0,0]=4 20195 B10R1.29 CCCCN1CCSC1C 34a_200011216479_100000210210 [1,0,0,1,0,0|2,0,0]=4 20196 B10R1.29 CCCNC1CCCC1C 269862a_100020643023_100000752053 [1,0,0,1,0,0|1,0,1]=4 20197 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [1,0,0,1,0,0|2,0,0]=4 20198 B10R1.29 CCCOC1CCCC1C 34a_100011216460_100000210303 [1,0,0,1,0,0|1,0,1]=4 20199 B10R1.29 CCCOC1CCCC1C 7a_100011216460_100000210303 [1,0,0,1,0,0|1,0,1]=4 20200 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [1,0,0,1,0,0|2,0,0]=4 20201 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [1,0,0,1,0,0|2,0,0]=4 20202 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [1,0,0,1,0,0|2,0,0]=4 20203 B10R1.37 CC/C=C\CN1CCC1C 269982a_100000755817_100103147603 [1,0,0,1,0,0|1,0,1]=4 20204 B10R1.37 CC/C=C\CN1CCC1C 34a_100000755817_100103147603 [1,0,0,1,0,0|1,0,1]=4 20205 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [1,0,0,1,0,0|1,0,1]=4 20206 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [1,0,0,1,0,0|1,0,1]=4 20207 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [1,0,0,1,0,0|2,0,0]=4 20208 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [1,0,0,1,0,0|2,0,0]=4 20209 B10R1.37 CCSCCN1CCC1C 269982a_100000755817_100000757381 [1,0,0,1,0,0|2,0,0]=4 20210 B10R1.37 CCSCCN1CCC1C 34a_100000755817_100000757381 [1,0,0,1,0,0|2,0,0]=4 20211 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [1,0,0,1,0,0|1,0,1]=4 20212 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [1,0,0,1,0,0|1,0,1]=4 20213 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [1,0,0,1,0,0|1,0,1]=4 20214 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [1,0,0,1,0,0|1,0,1]=4 20215 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [1,0,0,1,0,0|1,0,1]=4 20216 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [1,0,0,1,0,0|1,0,1]=4 20217 B10R1.57 CC/C=C\CCN1CCC1 269982a_100000754969_100015370543 [1,0,0,1,0,0|1,0,1]=4 20218 B10R1.57 CC/C=C\CNC1CCC1 2230a_100000749019_100103147603 [1,0,0,1,0,0|1,0,1]=4 20219 B10R1.57 CC/C=C\CNC1CCC1 34a_100000749019_100103147603 [1,0,0,1,0,0|1,0,1]=4 20220 B10R1.57 CC/C=C\COC1CCC1 34a_100000748187_100103147603 [1,0,0,1,0,0|1,0,1]=4 20221 B10R1.57 CC/C=C\COC1CCC1 34a_100016268518_100000749161 [1,0,0,1,0,0|1,0,1]=4 20222 B10R1.57 CC/C=C\CSC1CCC1 62a_100103147603_100000749161 [1,0,0,1,0,0|1,0,1]=4 20223 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [1,0,0,1,0,0|1,0,1]=4 20224 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [1,0,0,1,0,0|1,0,1]=4 20225 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [1,0,0,1,0,0|1,0,1]=4 20226 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [1,0,0,1,0,0|1,0,1]=4 20227 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [1,0,0,1,0,0|1,0,1]=4 20228 B10R1.57 CCC=NNCC1CCC1 4a_200020586977_100000210100 [1,0,0,1,0,0|2,0,0]=4 20229 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [1,0,0,1,0,0|1,0,1]=4 20230 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [1,0,0,1,0,0|1,0,1]=4 20231 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [1,0,0,1,0,0|1,0,1]=4 20232 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [1,0,0,1,0,0|1,0,1]=4 20233 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [1,0,0,1,0,0|1,0,1]=4 20234 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [1,0,0,1,0,0|1,0,1]=4 20235 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [1,0,0,1,0,0|1,0,1]=4 20236 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [1,0,0,1,0,0|1,0,1]=4 20237 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [1,0,0,1,0,0|1,0,1]=4 20238 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [1,0,0,1,0,0|1,0,1]=4 20239 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [1,0,0,1,0,0|1,0,1]=4 20240 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [1,0,0,1,0,0|1,0,1]=4 20241 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [1,0,0,1,0,0|2,0,0]=4 20242 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [1,0,0,1,0,0|2,0,0]=4 20243 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [1,0,0,1,0,0|2,0,0]=4 20244 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [1,0,0,1,0,0|2,0,0]=4 20245 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [1,0,0,1,0,0|1,0,1]=4 20246 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [1,0,0,1,0,0|1,0,1]=4 20247 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [1,0,0,1,0,0|1,0,1]=4 20248 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [1,0,0,1,0,0|2,0,0]=4 20249 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [1,0,0,1,0,0|2,0,0]=4 20250 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [1,0,0,1,0,0|2,0,0]=4 20251 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [1,0,0,1,0,0|1,0,1]=4 20252 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [1,0,0,1,0,0|1,0,1]=4 20253 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [1,0,0,1,0,0|2,0,0]=4 20254 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [1,0,0,1,0,0|2,0,0]=4 20255 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [1,0,0,1,0,0|2,0,0]=4 20256 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [1,0,0,1,0,0|2,0,0]=4 20257 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [1,0,0,1,0,0|2,0,0]=4 20258 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [1,0,0,1,0,0|2,0,0]=4 20259 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [1,0,0,1,0,0|2,0,0]=4 20260 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [1,0,0,1,0,0|2,0,0]=4 20261 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [1,0,0,1,0,0|2,0,0]=4 20262 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [1,0,0,1,0,0|2,0,0]=4 20263 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [1,0,0,1,0,0|2,0,0]=4 20264 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [1,0,0,1,0,0|2,0,0]=4 20265 B10R1.57 CCSCCNC1CCC1 2230a_100000749019_100000757381 [1,0,0,1,0,0|2,0,0]=4 20266 B10R1.57 CCSCCNC1CCC1 270004a_100000106463_100000241760 [1,0,0,1,0,0|2,0,0]=4 20267 B10R1.57 CCSCCNC1CCC1 34a_100000749019_100000757381 [1,0,0,1,0,0|2,0,0]=4 20268 B10R1.57 CCSCCOC1CCC1 34a_100000212035_100000749161 [1,0,0,1,0,0|2,0,0]=4 20269 B10R1.57 CCSCCOC1CCC1 34a_100000748187_100000757381 [1,0,0,1,0,0|2,0,0]=4 20270 B10R1.57 CCSCCSC1CCC1 62a_100000757381_100000749161 [1,0,0,1,0,0|2,0,0]=4 20271 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [1,0,0,1,0,0|1,0,1]=4 20272 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [1,0,0,1,0,0|1,0,1]=4 20273 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [1,0,0,1,0,0|1,0,1]=4 20274 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 20275 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 20276 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [1,0,0,1,0,0|2,0,0]=4 20277 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [1,0,0,1,0,0|1,0,0]=3 20278 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [1,0,0,1,0,0|1,0,0]=3 20279 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [1,0,0,1,0,0|1,0,0]=3 20280 B10R1.85 CCNC1CCCNCC1 270004a_100015525214_100015187895 [1,0,0,1,0,0|2,0,0]=4 20281 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|1,0,0]=3 20282 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|1,0,0]=3 20283 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|1,0,0]=3 20284 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [1,0,0,1,0,0|1,0,0]=3 20285 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [1,0,0,1,0,0|1,0,0]=3 20286 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 20287 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 20288 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|1,0,1]=4 20289 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|1,0,1]=4 20290 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|1,0,1]=4 20291 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|1,0,1]=4 20292 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|1,0,1]=4 20293 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|1,0,1]=4 20294 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|1,0,1]=4 20295 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|1,0,1]=4 20296 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|1,0,1]=4 20297 B10R1.85 FCNC1CCCCCC1 34a_100000210984_100015361967 [1,0,0,1,0,0|2,0,0]=4 20298 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 20299 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [1,0,0,1,0,0|2,0,0]=4 20300 B10R1.85 FCSC1CCCCCC1 62a_100011217769_100015361967 [1,0,0,1,0,0|2,0,0]=4 20301 B10R1.85 FCSC1CCCCCC1 62a_100015361967_100011217769 [1,0,0,1,0,0|2,0,0]=4 20302 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 20303 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|1,0,1]=4 20304 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|1,0,1]=4 20305 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|1,0,1]=4 20306 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|1,0,1]=4 20307 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|1,0,1]=4 20308 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [1,0,0,1,0,0|1,0,0]=3 20309 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [1,0,0,1,0,0|1,0,0]=3 20310 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [1,0,0,1,0,0|1,0,0]=3 20311 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [1,0,0,1,0,0|1,0,1]=4 20312 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [1,0,0,1,0,0|1,0,1]=4 20313 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 20314 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|1,0,1]=4 20315 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|1,0,1]=4 20316 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [1,0,0,1,0,0|1,0,1]=4 20317 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [1,0,0,1,0,0|1,0,1]=4 20318 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|1,0,1]=4 20319 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|1,0,1]=4 20320 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [1,0,0,1,0,0|1,0,1]=4 20321 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [1,0,0,1,0,0|1,0,1]=4 20322 B10R1.161 FCN1CCCCCCC1 269982a_100000211400_100015361967 [1,0,0,1,0,0|2,0,0]=4 20323 B10R1.161 FCN1CCCCCCC1 34a_100000211400_100015361967 [1,0,0,1,0,0|2,0,0]=4 20324 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 20325 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|1,0,1]=4 20326 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [1,0,0,1,0,0|1,0,1]=4 20327 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|1,0,1]=4 20328 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|1,0,1]=4 20329 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [1,0,0,1,0,0|1,0,1]=4 20330 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [1,0,0,1,0,0|1,0,1]=4 20331 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [1,0,0,1,0,0|2,0,0]=4 20332 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [1,0,0,1,0,0|2,0,0]=4 20333 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [1,0,0,1,0,0|2,0,0]=4 20334 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [1,0,0,1,0,0|2,0,0]=4 20335 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [1,0,0,1,0,0|2,0,0]=4 20336 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [1,0,0,1,0,0|2,0,0]=4 20337 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 20338 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 20339 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 20340 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 20341 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 20342 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 20343 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [1,0,0,1,0,0|2,0,0]=4 20344 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [1,0,0,1,0,0|2,0,0]=4 20345 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 20346 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 20347 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [1,0,0,1,0,0|1,0,0]=3 20348 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [1,0,0,1,0,0|1,0,0]=3 20349 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [1,0,0,1,0,0|2,0,0]=4 20350 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [1,0,0,1,0,0|1,0,0]=3 20351 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [1,0,0,1,0,0|2,0,0]=4 20352 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [1,0,0,1,0,0|2,0,0]=4 20353 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [1,0,0,1,0,0|1,0,0]=3 20354 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [1,0,0,1,0,0|2,0,0]=4 20355 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [1,0,0,1,0,0|2,0,0]=4 20356 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [1,0,0,1,0,0|2,0,0]=4 20357 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [1,0,0,1,0,0|0,0,2]=4 20358 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [1,0,0,1,0,0|0,0,2]=4 20359 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [1,0,0,1,0,0|0,0,2]=4 20360 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [1,0,0,1,0,0|0,0,2]=4 20361 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|0,0,0]=2 20362 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|0,0,0]=2 20363 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [1,0,0,1,0,0|1,0,0]=3 20364 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [1,0,0,1,0,0|1,0,0]=3 20365 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [1,0,0,1,0,0|1,0,0]=3 20366 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [1,0,0,1,0,0|1,0,0]=3 20367 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [1,0,0,1,0,0|1,0,0]=3 20368 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [1,0,0,1,0,0|1,0,0]=3 20369 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [1,0,0,1,0,0|2,0,0]=4 20370 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [1,0,0,1,0,0|2,0,0]=4 20371 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [1,0,0,1,0,0|2,0,0]=4 20372 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [1,0,0,1,0,0|2,0,0]=4 20373 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 20374 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 20375 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 20376 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 20377 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 20378 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 20379 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 20380 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [1,0,0,1,0,0|0,0,2]=4 20381 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 20382 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [1,0,0,1,0,0|2,0,0]=4 20383 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 20384 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [1,0,0,1,0,0|2,0,0]=4 20385 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [1,0,0,1,0,0|2,0,0]=4 20386 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 20387 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [1,0,0,1,0,0|2,0,0]=4 20388 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 20389 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 20390 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 20391 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [1,0,0,1,0,0|1,0,0]=3 20392 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 20393 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 20394 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 20395 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [1,0,0,1,0,0|2,0,0]=4 20396 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 20397 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 20398 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 20399 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [1,0,0,1,0,0|2,0,0]=4 20400 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 20401 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 20402 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 20403 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [1,0,0,1,0,0|2,0,0]=4 20404 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 20405 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 20406 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 20407 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [1,0,0,1,0,0|2,0,0]=4 20408 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 20409 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 20410 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 20411 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [1,0,0,1,0,0|1,0,0]=3 20412 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [1,0,0,1,0,0|2,0,0]=4 20413 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [1,0,0,1,0,0|2,0,0]=4 20414 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [1,0,0,1,0,0|2,0,0]=4 20415 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [1,0,0,1,0,0|2,0,0]=4 20416 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [1,0,0,1,0,0|1,0,0]=3 20417 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [1,0,0,1,0,0|2,0,0]=4 20418 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [1,0,0,1,0,0|2,0,0]=4 20419 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [1,0,0,1,0,0|0,0,2]=4 20420 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [1,0,0,1,0,0|0,0,2]=4 20421 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [1,0,0,1,0,0|0,0,2]=4 20422 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [1,0,0,1,0,0|0,0,2]=4 20423 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [1,0,0,1,0,0|0,0,2]=4 20424 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [1,0,0,1,0,0|0,0,2]=4 20425 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|0,0,0]=2 20426 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|0,0,0]=2 20427 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,0,0,1,0,0|1,0,0]=3 20428 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [1,0,0,1,0,0|1,0,0]=3 20429 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [1,0,0,1,0,0|1,0,0]=3 20430 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [1,0,0,1,0,0|2,0,0]=4 20431 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [1,0,0,1,0,0|1,0,0]=3 20432 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [1,0,0,1,0,0|1,0,0]=3 20433 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [1,0,0,1,0,0|2,0,0]=4 20434 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 20435 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 20436 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 20437 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 20438 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [1,0,0,1,0,0|2,0,0]=4 20439 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [1,0,0,1,0,0|2,0,0]=4 20440 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 20441 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 20442 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 20443 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 20444 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [1,0,0,1,0,0|2,0,0]=4 20445 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [1,0,0,1,0,0|2,0,0]=4 20446 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [1,0,0,1,0,0|1,0,0]=3 20447 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 20448 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 20449 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 20450 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [1,0,0,1,0,0|2,0,0]=4 20451 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 20452 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 20453 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 20454 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [1,0,0,1,0,0|2,0,0]=4 20455 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [1,0,0,1,0,0|2,0,0]=4 20456 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [1,0,0,1,0,0|2,0,0]=4 20457 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [1,0,0,1,0,0|2,0,0]=4 20458 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [1,0,0,1,0,0|2,0,0]=4 20459 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 20460 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 20461 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 20462 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 20463 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [1,0,0,1,0,0|2,0,0]=4 20464 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [1,0,0,1,0,0|2,0,0]=4 20465 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [1,0,0,1,0,0|2,0,0]=4 20466 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [1,0,0,1,0,0|1,0,0]=3 20467 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [1,0,0,1,0,0|2,0,0]=4 20468 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [1,0,0,1,0,0|2,0,0]=4 20469 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [1,0,0,1,0,0|1,0,0]=3 20470 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [1,0,0,1,0,0|2,0,0]=4 20471 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [1,0,0,1,0,0|2,0,0]=4 20472 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [1,0,0,1,0,0|2,0,0]=4 20473 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [1,0,0,1,0,0|2,0,0]=4 20474 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [1,0,0,1,0,0|2,0,0]=4 20475 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [1,0,0,1,0,0|1,0,0]=3 20476 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [1,0,0,1,0,0|1,0,1]=4 20477 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|0,0,0]=2 20478 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [1,0,0,1,0,0|1,0,0]=3 20479 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [1,0,0,1,0,0|1,0,0]=3 20480 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 20481 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 20482 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 20483 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 20484 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 20485 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 20486 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 20487 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [1,0,0,1,0,0|1,0,0]=3 20488 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [1,0,0,1,0,0|2,0,0]=4 20489 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,0,0,1,0,0|1,0,0]=3 20490 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 20491 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 20492 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 20493 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 20494 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 20495 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 20496 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 20497 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [1,0,0,1,0,0|2,0,0]=4 20498 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 20499 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [1,0,0,1,0,0|2,0,0]=4 20500 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 20501 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 20502 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [1,0,0,1,0,0|2,0,0]=4 20503 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 20504 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 20505 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 20506 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [1,0,0,1,0,0|2,0,0]=4 20507 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [1,0,0,1,0,0|2,0,0]=4 20508 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [1,0,0,1,0,0|2,0,0]=4 20509 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [1,0,0,1,0,0|2,0,0]=4 20510 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [1,0,0,1,0,0|2,0,0]=4 20511 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [1,0,0,1,0,0|2,0,0]=4 20512 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [1,0,0,1,0,0|2,0,0]=4 20513 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [1,0,0,1,0,0|2,0,0]=4 20514 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [1,0,0,1,0,0|1,0,0]=3 20515 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [1,0,0,1,0,0|2,0,0]=4 20516 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [1,0,0,1,0,0|2,0,0]=4 20517 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [1,0,0,1,0,0|1,0,0]=3 20518 B10R1.151 CCC(=O)CSC1COC1 62a_100000747405_100009818527 [1,0,0,1,0,0|2,0,0]=4 20519 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 20520 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 20521 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 20522 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 20523 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 20524 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 20525 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 20526 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 20527 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 20528 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 20529 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 20530 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 20531 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [1,0,0,1,0,0|2,0,0]=4 20532 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [1,0,0,1,0,0|2,0,0]=4 20533 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [1,0,0,1,0,0|2,0,0]=4 20534 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [1,0,0,1,0,0|2,0,0]=4 20535 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [1,0,0,1,0,0|2,0,0]=4 20536 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [1,0,0,1,0,0|2,0,0]=4 20537 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [1,0,0,1,0,0|2,0,0]=4 20538 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [1,0,0,1,0,0|2,0,0]=4 20539 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [1,0,0,1,0,0|2,0,0]=4 20540 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 20541 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 20542 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 20543 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 20544 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [1,0,0,1,0,0|2,0,0]=4 20545 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [1,0,0,1,0,0|2,0,0]=4 20546 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [1,0,0,1,0,0|2,0,0]=4 20547 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [1,0,0,1,0,0|2,0,0]=4 20548 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [1,0,0,1,0,0|2,0,0]=4 20549 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [1,0,0,1,0,0|2,0,0]=4 20550 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [1,0,0,1,0,0|2,0,0]=4 20551 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [1,0,0,1,0,0|2,0,0]=4 20552 B10R1.153 CCC(=O)CC#CC1CC1 1458a_100000210414_100009895102 [1,0,0,1,0,0|0,0,2]=4 20553 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [1,0,0,1,0,0|1,0,0]=3 20554 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [1,0,0,1,0,0|1,0,0]=3 20555 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [1,0,0,1,0,0|2,0,0]=4 20556 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [1,0,0,1,0,0|1,0,0]=3 20557 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [1,0,0,1,0,0|1,0,0]=3 20558 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [1,0,0,1,0,0|1,0,0]=3 20559 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [1,0,0,1,0,0|2,0,0]=4 20560 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [1,0,0,1,0,0|2,0,0]=4 20561 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [1,0,0,1,0,0|2,0,0]=4 20562 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [1,0,0,1,0,0|2,0,0]=4 20563 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [1,0,0,1,0,0|2,0,0]=4 20564 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [1,0,0,1,0,0|2,0,0]=4 20565 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 20566 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 20567 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 20568 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [1,0,0,1,0,0|2,0,0]=4 20569 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [1,0,0,1,0,0|2,0,0]=4 20570 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [1,0,0,1,0,0|2,0,0]=4 20571 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [1,0,0,1,0,0|2,0,0]=4 20572 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [1,0,0,1,0,0|2,0,0]=4 20573 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [1,0,0,1,0,0|2,0,0]=4 20574 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [1,0,0,1,0,0|2,0,0]=4 20575 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [1,0,0,1,0,0|2,0,0]=4 20576 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [1,0,0,1,0,0|2,0,0]=4 20577 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [1,0,0,1,0,0|2,0,0]=4 20578 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [1,0,0,1,0,0|2,0,0]=4 20579 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [1,0,0,1,0,0|2,0,0]=4 20580 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 20581 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 20582 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 20583 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [1,0,0,1,0,0|2,0,0]=4 20584 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [1,0,0,1,0,0|2,0,0]=4 20585 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [1,0,0,1,0,0|2,0,0]=4 20586 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 20587 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 20588 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 20589 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 20590 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [1,0,0,1,0,0|2,0,0]=4 20591 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [1,0,0,1,0,0|2,0,0]=4 20592 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [1,0,0,1,0,0|2,0,0]=4 20593 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [1,0,0,1,0,0|2,0,0]=4 20594 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [1,0,0,1,0,0|2,0,0]=4 20595 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [1,0,0,1,0,0|2,0,0]=4 20596 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [1,0,0,1,0,0|2,0,0]=4 20597 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [1,0,0,1,0,0|2,0,0]=4 20598 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [1,0,0,1,0,0|2,0,0]=4 20599 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [1,0,0,1,0,0|2,0,0]=4 20600 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 20601 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 20602 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [1,0,0,1,0,0|2,0,0]=4 20603 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [1,0,0,1,0,0|2,0,0]=4 20604 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 20605 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 20606 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 20607 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 20608 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 20609 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 20610 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [1,0,0,1,0,0|2,0,0]=4 20611 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [1,0,0,1,0,0|2,0,0]=4 20612 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [1,0,0,1,0,0|1,0,0]=3 20613 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [1,0,0,1,0,0|2,0,0]=4 20614 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [1,0,0,1,0,0|2,0,0]=4 20615 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [1,0,0,1,0,0|2,0,0]=4 20616 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [1,0,0,1,0,0|2,0,0]=4 20617 B12R1.28 CCCCCN1CCC=C(C1)C 2230a_100000725631_100000210326 [0,1,0,1,0,0|2,0,0]=4 20618 B12R1.28 CCCCCN1CCC=C(C1)C 269982a_100000725631_100000210215 [0,1,0,1,0,0|2,0,0]=4 20619 B12R1.28 CCCCCN1CCC=C(C1)C 34a_100000725631_100000718602 [0,1,0,1,0,0|2,0,0]=4 20620 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|1,0,0]=3 20621 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|1,0,0]=3 20622 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|1,0,0]=3 20623 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|1,0,0]=3 20624 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,1,0,0|1,0,0]=3 20625 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|1,0,0]=3 20626 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,1,0,1,0,0|2,0,0]=4 20627 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|1,0,0]=3 20628 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,1,0,1,0,0|2,0,0]=4 20629 B12R1.28 CCOCCN1CCNC(=O)C1 2230a_100000184651_100011215890 [0,1,0,1,0,0|2,0,0]=4 20630 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,1,0,1,0,0|2,0,0]=4 20631 B12R1.28 CCSCCN1CCNC(=O)C1 2230a_100000184651_100000757381 [0,1,0,1,0,0|2,0,0]=4 20632 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,1,0,1,0,0|2,0,0]=4 20633 B12R1.28 CNCCCN1CCNC(=O)C1 2230a_100000757908_200000210301 [0,1,0,1,0,0|2,0,0]=4 20634 B12R1.28 COCCCN1CCNC(=O)C1 2230a_100000184651_100000740836 [0,1,0,1,0,0|2,0,0]=4 20635 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,1,0,1,0,0|2,0,0]=4 20636 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,1,0,1,0,0|2,0,0]=4 20637 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,1,0,1,0,0|2,0,0]=4 20638 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,1,0,1,0,0|2,0,0]=4 20639 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,1,0,1,0,0|2,0,0]=4 20640 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,1,0,1,0,0|2,0,0]=4 20641 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,1,0,1,0,0|2,0,0]=4 20642 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,1,0,1,0,0|2,0,0]=4 20643 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,1,0,1,0,0|2,0,0]=4 20644 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,1,0,1,0,0|2,0,0]=4 20645 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,1,0,1,0,0|2,0,0]=4 20646 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,1,0,1,0,0|2,0,0]=4 20647 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,1,0,1,0,0|2,0,0]=4 20648 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,1,0,1,0,0|2,0,0]=4 20649 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,1,0,1,0,0|2,0,0]=4 20650 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,1,0,1,0,0|2,0,0]=4 20651 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,1,0,1,0,0|2,0,0]=4 20652 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,1,0,1,0,0|2,0,0]=4 20653 B12R1.28 O=C1CN(CCN1)CCCCF 2230a_100000184651_100000729493 [0,1,0,1,0,0|2,0,0]=4 20654 B12R1.28 O=C1CN(CCN1)CCCCO 2230a_100000184651_100000210776 [0,1,0,1,0,0|2,0,0]=4 20655 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,1,0,1,0,0|2,0,0]=4 20656 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,1,0,1,0,0|2,0,0]=4 20657 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,1,0,1,0,0|2,0,0]=4 20658 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,1,0,1,0,0|2,0,0]=4 20659 B12R1.28 [13CH3]NCCCN1CCNC(=O)C1 2230a_100000757908_200025704644 [0,1,0,1,0,0|2,0,0]=4 20660 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100000211666_100000184674 [0,1,0,1,0,0|0,0,1]=3 20661 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100011220946_100000211423 [0,1,0,1,0,0|0,0,1]=3 20662 B12R1.32 C#CCC(=O)CC1CCCCO1 1458a_100000238585_100000184674 [0,1,0,1,0,0|1,0,1]=4 20663 B12R1.32 C#CCC(=O)CC1CCCCO1 1458a_100011220946_100000211543 [0,1,0,1,0,0|1,0,1]=4 20664 B12R1.32 C#CCC(=O)CC1CCCOC1 1458a_100000741523_100000184674 [0,1,0,1,0,0|1,0,1]=4 20665 B12R1.32 C#CCC(=O)CC1CCCOC1 1458a_100011220946_100000741521 [0,1,0,1,0,0|1,0,1]=4 20666 B12R1.32 C#CCC(=O)CC1CCOCC1 1458a_100000757261_100000184674 [0,1,0,1,0,0|1,0,1]=4 20667 B12R1.32 C#CCC(=O)CC1CCOCC1 1458a_100011220946_100000754603 [0,1,0,1,0,0|1,0,1]=4 20668 B12R1.32 C#CCC(=O)CN1CCCCC1 1458a_100000740322_100000184674 [0,1,0,1,0,0|1,0,1]=4 20669 B12R1.32 C#CCC(=O)NC1CCCCC1 1626a_100000182618_100011220946 [0,1,0,1,0,0|1,0,1]=4 20670 B12R1.32 C#CCC(=O)NC1CCCCC1 527a_100000182618_100011220946 [0,1,0,1,0,0|1,0,1]=4 20671 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000210193_100000211423 [0,1,0,1,0,0|0,0,1]=3 20672 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000211666_100000210623 [0,1,0,1,0,0|0,0,1]=3 20673 B12R1.32 C=CCC(=O)CC1CCCCO1 1458a_100000210193_100000211543 [0,1,0,1,0,0|1,0,1]=4 20674 B12R1.32 C=CCC(=O)CC1CCCCO1 1458a_100000238585_100000210623 [0,1,0,1,0,0|1,0,1]=4 20675 B12R1.32 C=CCC(=O)CC1CCCOC1 1458a_100000210193_100000741521 [0,1,0,1,0,0|1,0,1]=4 20676 B12R1.32 C=CCC(=O)CC1CCCOC1 1458a_100000741523_100000210623 [0,1,0,1,0,0|1,0,1]=4 20677 B12R1.32 C=CCC(=O)CC1CCOCC1 1458a_100000210193_100000754603 [0,1,0,1,0,0|1,0,1]=4 20678 B12R1.32 C=CCC(=O)CC1CCOCC1 1458a_100000757261_100000210623 [0,1,0,1,0,0|1,0,1]=4 20679 B12R1.32 C=CCC(=O)CN1CCCCC1 1458a_100000740322_100000210623 [0,1,0,1,0,0|1,0,1]=4 20680 B12R1.32 C=CCC(=O)NC1CCCCC1 11a_100000182618_100000210193 [0,1,0,1,0,0|1,0,1]=4 20681 B12R1.32 C=CCC(=O)NC1CCCCC1 1626a_100000182618_100000210193 [0,1,0,1,0,0|1,0,1]=4 20682 B12R1.32 C=CCC(=O)NC1CCCCC1 240690a_100000182618_100000210193 [0,1,0,1,0,0|1,0,1]=4 20683 B12R1.32 C=CCC(=O)NC1CCCCC1 527a_100000182618_100000210193 [0,1,0,1,0,0|1,0,1]=4 20684 B12R1.32 CC#CC(=O)CC1CCCCC1 1458a_100000763181_100000211423 [0,1,0,1,0,0|0,0,1]=3 20685 B12R1.32 CC#CC(=O)CC1CCCCO1 1458a_100000763181_100000211543 [0,1,0,1,0,0|1,0,1]=4 20686 B12R1.32 CC#CC(=O)CC1CCCOC1 1458a_100000763181_100000741521 [0,1,0,1,0,0|1,0,1]=4 20687 B12R1.32 CC#CC(=O)CC1CCOCC1 1458a_100000763181_100000754603 [0,1,0,1,0,0|1,0,1]=4 20688 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [0,1,0,1,0,0|0,0,1]=3 20689 B12R1.32 CC=CC(=O)CC1CCCCO1 1458a_100000210699_100000211543 [0,1,0,1,0,0|1,0,1]=4 20690 B12R1.32 CC=CC(=O)CC1CCCOC1 1458a_100000210699_100000741521 [0,1,0,1,0,0|1,0,1]=4 20691 B12R1.32 CC=CC(=O)CC1CCOCC1 1458a_100000210699_100000754603 [0,1,0,1,0,0|1,0,1]=4 20692 B12R1.32 CC=CC(=O)NC1CCCCC1 11a_100000182618_100000210699 [0,1,0,1,0,0|1,0,1]=4 20693 B12R1.32 CC=CC(=O)NC1CCCCC1 1626a_100000182618_100000210699 [0,1,0,1,0,0|1,0,1]=4 20694 B12R1.32 CC=CC(=O)NC1CCCCC1 240690a_100000182618_100000210699 [0,1,0,1,0,0|1,0,1]=4 20695 B12R1.32 CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210303 [0,1,0,1,0,0|0,0,2]=4 20696 B12R1.32 CCCC(=O)CC1=CCCCC1 1458a_100000039269_100000210303 [0,1,0,1,0,0|0,0,2]=4 20697 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,1,0,1,0,0|0,0,0]=2 20698 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,1,0,1,0,0|0,0,0]=2 20699 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,1,0,1,0,0|1,0,0]=3 20700 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,1,0,1,0,0|1,0,0]=3 20701 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,1,0,1,0,0|1,0,0]=3 20702 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,1,0,1,0,0|1,0,0]=3 20703 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [0,1,0,1,0,0|1,0,0]=3 20704 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [0,1,0,1,0,0|1,0,0]=3 20705 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [0,1,0,1,0,0|1,0,0]=3 20706 B12R1.32 CCCC(=O)CN1CCCOC1 2230a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 20707 B12R1.32 CCCC(=O)CN1CCCOC1 269982a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 20708 B12R1.32 CCCC(=O)CN1CCOCC1 1458a_100000740321_100000210303 [0,1,0,1,0,0|2,0,0]=4 20709 B12R1.32 CCCC(=O)CN1CCOCC1 2230a_100015191051_100000747444 [0,1,0,1,0,0|2,0,0]=4 20710 B12R1.32 CCCC(=O)CN1CCOCC1 269982a_100015191051_100000747444 [0,1,0,1,0,0|2,0,0]=4 20711 B12R1.32 CCCC(=O)CN1CCSCC1 2230a_100000737611_100000747444 [0,1,0,1,0,0|2,0,0]=4 20712 B12R1.32 CCCC(=O)CN1CCSCC1 269982a_100000737611_100000747444 [0,1,0,1,0,0|2,0,0]=4 20713 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 20714 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 20715 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 20716 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 20717 B12R1.32 CCCC(=O)NC1CCCOC1 11a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 20718 B12R1.32 CCCC(=O)NC1CCCOC1 1626a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 20719 B12R1.32 CCCC(=O)NC1CCCOC1 240690a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 20720 B12R1.32 CCCC(=O)NC1CCCOC1 527a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 20721 B12R1.32 CCCC(=O)NC1CCOCC1 11a_100000741149_100000211992 [0,1,0,1,0,0|2,0,0]=4 20722 B12R1.32 CCCC(=O)NC1CCOCC1 1626a_100000741149_100000211992 [0,1,0,1,0,0|2,0,0]=4 20723 B12R1.32 CCCC(=O)NC1CCOCC1 240690a_100000741149_100000211992 [0,1,0,1,0,0|2,0,0]=4 20724 B12R1.32 CCCC(=O)NC1CCOCC1 527a_100000741149_100000211992 [0,1,0,1,0,0|2,0,0]=4 20725 B12R1.32 CCCC(=O)NC1CCSCC1 11a_100000748639_100000211992 [0,1,0,1,0,0|2,0,0]=4 20726 B12R1.32 CCCC(=O)NC1CCSCC1 1626a_100000748639_100000211992 [0,1,0,1,0,0|2,0,0]=4 20727 B12R1.32 CCCC(=O)NC1CCSCC1 240690a_100000748639_100000211992 [0,1,0,1,0,0|2,0,0]=4 20728 B12R1.32 CCCC(=O)NC1CCSCC1 527a_100000748639_100000211992 [0,1,0,1,0,0|2,0,0]=4 20729 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 20730 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 20731 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000747261_100000211423 [0,1,0,1,0,0|2,0,0]=4 20732 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 20733 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 20734 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000747261_100000211423 [0,1,0,1,0,0|2,0,0]=4 20735 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000736448_100000210303 [0,1,0,1,0,0|2,0,0]=4 20736 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000743638_200000210301 [0,1,0,1,0,0|2,0,0]=4 20737 B12R1.32 CCCN([13CH3])CC1CCCCC1 2230a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 20738 B12R1.32 CCCN([13CH3])CC1CCCCC1 269982a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 20739 B12R1.32 CCCN([13CH3])CC1CCCCC1 34a_100000743638_200025704644 [0,1,0,1,0,0|2,0,0]=4 20740 B12R1.32 CCNC(=O)C=C1CCCCC1 11a_100015525214_100000743792 [0,1,0,1,0,0|0,0,2]=4 20741 B12R1.32 CCNC(=O)C=C1CCCCC1 240690a_100015525214_100000743792 [0,1,0,1,0,0|0,0,2]=4 20742 B12R1.32 CCNC(=O)CC1=CCCCC1 11a_100015525214_100000039269 [0,1,0,1,0,0|0,0,2]=4 20743 B12R1.32 CCNC(=O)CC1=CCCCC1 240690a_100015525214_100000039269 [0,1,0,1,0,0|0,0,2]=4 20744 B12R1.32 CCNC(=O)CC1=CCCCC1 527a_100015525214_100000039269 [0,1,0,1,0,0|0,0,2]=4 20745 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,1,0,1,0,0|0,0,0]=2 20746 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,1,0,1,0,0|0,0,0]=2 20747 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,1,0,1,0,0|0,0,0]=2 20748 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 20749 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 20750 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 20751 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 20752 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 20753 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 20754 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [0,1,0,1,0,0|1,0,0]=3 20755 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [0,1,0,1,0,0|1,0,0]=3 20756 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [0,1,0,1,0,0|1,0,0]=3 20757 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [0,1,0,1,0,0|1,0,0]=3 20758 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [0,1,0,1,0,0|1,0,0]=3 20759 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [0,1,0,1,0,0|1,0,0]=3 20760 B12R1.32 CCNC(=O)CN1CCCOC1 2230a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 20761 B12R1.32 CCNC(=O)CN1CCCOC1 269982a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 20762 B12R1.32 CCNC(=O)CN1CCCOC1 34a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 20763 B12R1.32 CCNC(=O)CN1CCOCC1 11a_100015525214_100000740321 [0,1,0,1,0,0|2,0,0]=4 20764 B12R1.32 CCNC(=O)CN1CCOCC1 2230a_100015191051_100000183381 [0,1,0,1,0,0|2,0,0]=4 20765 B12R1.32 CCNC(=O)CN1CCOCC1 240690a_100015525214_100000740321 [0,1,0,1,0,0|2,0,0]=4 20766 B12R1.32 CCNC(=O)CN1CCOCC1 269982a_100015191051_100000183381 [0,1,0,1,0,0|2,0,0]=4 20767 B12R1.32 CCNC(=O)CN1CCOCC1 34a_100015191051_100000183381 [0,1,0,1,0,0|2,0,0]=4 20768 B12R1.32 CCNC(=O)CN1CCOCC1 527a_100015525214_100000740321 [0,1,0,1,0,0|2,0,0]=4 20769 B12R1.32 CCNC(=O)CN1CCSCC1 2230a_100000737611_100000183381 [0,1,0,1,0,0|2,0,0]=4 20770 B12R1.32 CCNC(=O)CN1CCSCC1 269982a_100000737611_100000183381 [0,1,0,1,0,0|2,0,0]=4 20771 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [0,1,0,1,0,0|1,0,0]=3 20772 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [0,1,0,1,0,0|1,0,0]=3 20773 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [0,1,0,1,0,0|1,0,0]=3 20774 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [0,1,0,1,0,0|1,0,0]=3 20775 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 20776 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 20777 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 20778 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 20779 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 20780 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 20781 B12R1.32 CCNC(=O)NC1CCOCC1 2708a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 20782 B12R1.32 CCNC(=O)NC1CCOCC1 2708a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 20783 B12R1.32 CCNC(=O)NC1CCOCC1 273464a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 20784 B12R1.32 CCNC(=O)NC1CCOCC1 273464a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 20785 B12R1.32 CCNC(=O)NC1CCOCC1 512a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 20786 B12R1.32 CCNC(=O)NC1CCOCC1 512a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 20787 B12R1.32 CCNC(=O)NC1CCSCC1 2708a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 20788 B12R1.32 CCNC(=O)NC1CCSCC1 2708a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 20789 B12R1.32 CCNC(=O)NC1CCSCC1 273464a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 20790 B12R1.32 CCNC(=O)NC1CCSCC1 273464a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 20791 B12R1.32 CCNC(=O)NC1CCSCC1 512a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 20792 B12R1.32 CCNC(=O)NC1CCSCC1 512a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 20793 B12R1.32 CCNC(C)CC1CCCCC1 270004a_100015525214_100011215996 [0,1,0,1,0,0|1,0,1]=4 20794 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 20795 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 20796 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,1,0,1,0,0|2,0,0]=4 20797 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 20798 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 20799 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [0,1,0,1,0,0|2,0,0]=4 20800 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [0,1,0,1,0,0|2,0,0]=4 20801 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [0,1,0,1,0,0|2,0,0]=4 20802 B12R1.32 CN(CCF)CC1CCCCC1 2230a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 20803 B12R1.32 CN(CCF)CC1CCCCC1 269982a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 20804 B12R1.32 CN(CCF)CC1CCCCC1 34a_100000736448_100011217306 [0,1,0,1,0,0|2,0,0]=4 20805 B12R1.32 CN(CCO)CC1CCCCC1 2230a_100000210263_100000211423 [0,1,0,1,0,0|2,0,0]=4 20806 B12R1.32 CN(CCO)CC1CCCCC1 2230a_100000736448_100000211926 [0,1,0,1,0,0|2,0,0]=4 20807 B12R1.32 CN(CCO)CC1CCCCC1 269982a_100000210263_100000211423 [0,1,0,1,0,0|2,0,0]=4 20808 B12R1.32 CN(CCO)CC1CCCCC1 269982a_100000736448_100000211926 [0,1,0,1,0,0|2,0,0]=4 20809 B12R1.32 CN(CCO)CC1CCCCC1 34a_100000736448_100000211926 [0,1,0,1,0,0|2,0,0]=4 20810 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_100015207117_200000210301 [0,1,0,1,0,0|1,0,0]=3 20811 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_106832991635_100000183541 [0,1,0,1,0,0|1,0,0]=3 20812 B12R1.32 CNCC(=O)NC1CCCCC1 34a_100102657272_100000183541 [0,1,0,1,0,0|1,0,0]=3 20813 B12R1.32 CNCC(=O)NC1CCCCC1 7a_106832991635_100000183541 [0,1,0,1,0,0|1,0,0]=3 20814 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,1,0,1,0,0|1,0,0]=3 20815 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,1,0,1,0,0|1,0,0]=3 20816 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,1,0,1,0,0|1,0,0]=3 20817 B12R1.32 CNNC(=O)CC1CCCCC1 22a_100016993582_100000211666 [0,1,0,1,0,0|1,0,0]=3 20818 B12R1.32 CNNC(=O)CC1CCCCO1 22a_100016993582_100000238585 [0,1,0,1,0,0|2,0,0]=4 20819 B12R1.32 CNNC(=O)CC1CCCOC1 22a_100016993582_100000741523 [0,1,0,1,0,0|2,0,0]=4 20820 B12R1.32 CNNC(=O)CC1CCOCC1 22a_100016993582_100000757261 [0,1,0,1,0,0|2,0,0]=4 20821 B12R1.32 CNNC(=O)CN1CCCCC1 22a_100016993582_100000740322 [0,1,0,1,0,0|2,0,0]=4 20822 B12R1.32 CNNC(=O)NC1CCCCC1 273464a_100000182618_100016993582 [0,1,0,1,0,0|2,0,0]=4 20823 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,1,0,1,0,0|0,0,0]=2 20824 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,1,0,1,0,0|1,0,0]=3 20825 B12R1.32 COCC(=O)CC1CCCOC1 1458a_100000210968_100000741521 [0,1,0,1,0,0|1,0,0]=3 20826 B12R1.32 COCC(=O)CC1CCOCC1 1458a_100000210968_100000754603 [0,1,0,1,0,0|1,0,0]=3 20827 B12R1.32 COCC(=O)NC1CCCCC1 11a_100000182618_100000210968 [0,1,0,1,0,0|1,0,0]=3 20828 B12R1.32 COCC(=O)NC1CCCCC1 1626a_100000182618_100000210968 [0,1,0,1,0,0|1,0,0]=3 20829 B12R1.32 COCC(=O)NC1CCCCC1 240690a_100000182618_100000210968 [0,1,0,1,0,0|1,0,0]=3 20830 B12R1.32 COCC(=O)NC1CCCCC1 34a_100138415774_100000183541 [0,1,0,1,0,0|1,0,0]=3 20831 B12R1.32 COCC(=O)NC1CCCCC1 527a_100000182618_100000210968 [0,1,0,1,0,0|1,0,0]=3 20832 B12R1.32 COCC(=O)NC1CCCOC1 11a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 20833 B12R1.32 COCC(=O)NC1CCCOC1 1626a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 20834 B12R1.32 COCC(=O)NC1CCCOC1 240690a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 20835 B12R1.32 COCC(=O)NC1CCCOC1 527a_100000719290_100000210968 [0,1,0,1,0,0|2,0,0]=4 20836 B12R1.32 COCC(=O)NC1CCOCC1 11a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 20837 B12R1.32 COCC(=O)NC1CCOCC1 1626a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 20838 B12R1.32 COCC(=O)NC1CCOCC1 240690a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 20839 B12R1.32 COCC(=O)NC1CCOCC1 527a_100000741149_100000210968 [0,1,0,1,0,0|2,0,0]=4 20840 B12R1.32 COCC(=O)NC1CCSCC1 11a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 20841 B12R1.32 COCC(=O)NC1CCSCC1 1626a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 20842 B12R1.32 COCC(=O)NC1CCSCC1 240690a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 20843 B12R1.32 COCC(=O)NC1CCSCC1 527a_100000748639_100000210968 [0,1,0,1,0,0|2,0,0]=4 20844 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,1,0,1,0,0|1,0,0]=3 20845 B12R1.32 COCN(C)CC1CCCCC1 2230a_100000736448_100000766300 [0,1,0,1,0,0|2,0,0]=4 20846 B12R1.32 COCN(C)CC1CCCCC1 269982a_100000736448_100000766300 [0,1,0,1,0,0|2,0,0]=4 20847 B12R1.32 COC[C@@H](N)CC1CCCCC1 34a_100015184289_200000210301 [0,1,0,1,0,0|1,0,1]=4 20848 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [0,1,0,1,0,0|0,0,0]=2 20849 B12R1.32 CSCC(=O)CC1CCCCO1 1458a_100000184570_100000211543 [0,1,0,1,0,0|1,0,0]=3 20850 B12R1.32 CSCC(=O)CC1CCCOC1 1458a_100000184570_100000741521 [0,1,0,1,0,0|1,0,0]=3 20851 B12R1.32 CSCC(=O)CC1CCOCC1 1458a_100000184570_100000754603 [0,1,0,1,0,0|1,0,0]=3 20852 B12R1.32 CSCC(=O)NC1CCCCC1 11a_100000182618_100000184570 [0,1,0,1,0,0|1,0,0]=3 20853 B12R1.32 CSCC(=O)NC1CCCCC1 1626a_100000182618_100000184570 [0,1,0,1,0,0|1,0,0]=3 20854 B12R1.32 CSCC(=O)NC1CCCCC1 240690a_100000182618_100000184570 [0,1,0,1,0,0|1,0,0]=3 20855 B12R1.32 CSCC(=O)NC1CCCCC1 527a_100000182618_100000184570 [0,1,0,1,0,0|1,0,0]=3 20856 B12R1.32 CSCC(=O)NC1CCCCC1 62a_100000183541_200000210301 [0,1,0,1,0,0|1,0,0]=3 20857 B12R1.32 CSCC(=O)NC1CCCCC1 62a_200000210301_100000183541 [0,1,0,1,0,0|1,0,0]=3 20858 B12R1.32 CSCC(=O)NC1CCCOC1 11a_100000719290_100000184570 [0,1,0,1,0,0|2,0,0]=4 20859 B12R1.32 CSCC(=O)NC1CCCOC1 1626a_100000719290_100000184570 [0,1,0,1,0,0|2,0,0]=4 20860 B12R1.32 CSCC(=O)NC1CCCOC1 240690a_100000719290_100000184570 [0,1,0,1,0,0|2,0,0]=4 20861 B12R1.32 CSCC(=O)NC1CCCOC1 527a_100000719290_100000184570 [0,1,0,1,0,0|2,0,0]=4 20862 B12R1.32 CSCC(=O)NC1CCOCC1 11a_100000741149_100000184570 [0,1,0,1,0,0|2,0,0]=4 20863 B12R1.32 CSCC(=O)NC1CCOCC1 1626a_100000741149_100000184570 [0,1,0,1,0,0|2,0,0]=4 20864 B12R1.32 CSCC(=O)NC1CCOCC1 240690a_100000741149_100000184570 [0,1,0,1,0,0|2,0,0]=4 20865 B12R1.32 CSCC(=O)NC1CCOCC1 527a_100000741149_100000184570 [0,1,0,1,0,0|2,0,0]=4 20866 B12R1.32 CSCC(=O)NC1CCSCC1 11a_100000748639_100000184570 [0,1,0,1,0,0|2,0,0]=4 20867 B12R1.32 CSCC(=O)NC1CCSCC1 1626a_100000748639_100000184570 [0,1,0,1,0,0|2,0,0]=4 20868 B12R1.32 CSCC(=O)NC1CCSCC1 240690a_100000748639_100000184570 [0,1,0,1,0,0|2,0,0]=4 20869 B12R1.32 CSCC(=O)NC1CCSCC1 527a_100000748639_100000184570 [0,1,0,1,0,0|2,0,0]=4 20870 B12R1.32 CSCC(=O)OC1CCCCC1 62a_100000041653_200000210301 [0,1,0,1,0,0|1,0,0]=3 20871 B12R1.32 CSCC(=O)OC1CCCCC1 62a_200000210301_100000041653 [0,1,0,1,0,0|1,0,0]=3 20872 B12R1.32 CSCN(C)CC1CCCCC1 2230a_100000736448_100011218213 [0,1,0,1,0,0|2,0,0]=4 20873 B12R1.32 CSCN(C)CC1CCCCC1 269982a_100000736448_100011218213 [0,1,0,1,0,0|2,0,0]=4 20874 B12R1.32 CSCN(C)CC1CCCCC1 34a_100000736448_100011218213 [0,1,0,1,0,0|2,0,0]=4 20875 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100000211666_100011214920 [0,1,0,1,0,0|0,0,1]=3 20876 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100051588842_100000211423 [0,1,0,1,0,0|0,0,1]=3 20877 B12R1.32 N#CCC(=O)CC1CCCCO1 1458a_100000238585_100011214920 [0,1,0,1,0,0|1,0,1]=4 20878 B12R1.32 N#CCC(=O)CC1CCCCO1 1458a_100051588842_100000211543 [0,1,0,1,0,0|1,0,1]=4 20879 B12R1.32 N#CCC(=O)CC1CCCOC1 1458a_100000741523_100011214920 [0,1,0,1,0,0|1,0,1]=4 20880 B12R1.32 N#CCC(=O)CC1CCCOC1 1458a_100051588842_100000741521 [0,1,0,1,0,0|1,0,1]=4 20881 B12R1.32 N#CCC(=O)CC1CCOCC1 1458a_100000757261_100011214920 [0,1,0,1,0,0|1,0,1]=4 20882 B12R1.32 N#CCC(=O)CC1CCOCC1 1458a_100051588842_100000754603 [0,1,0,1,0,0|1,0,1]=4 20883 B12R1.32 N#CCC(=O)CN1CCCCC1 1458a_100000740322_100011214920 [0,1,0,1,0,0|1,0,1]=4 20884 B12R1.32 N#CCC(=O)NC1CCCCC1 1626a_100000182618_100051588842 [0,1,0,1,0,0|1,0,1]=4 20885 B12R1.32 N#CCC(=O)NC1CCCCC1 240690a_100000182618_100051588842 [0,1,0,1,0,0|1,0,1]=4 20886 B12R1.32 O=C(C=C1CCCCC1)CCF 1458a_100000743792_100011217306 [0,1,0,1,0,0|0,0,2]=4 20887 B12R1.32 O=C(C=C1CCCCC1)CCO 1458a_100000743792_100000211926 [0,1,0,1,0,0|0,0,2]=4 20888 B12R1.32 O=C(C=CBr)CC1CCCCC1 1458a_100016273825_100000211423 [0,1,0,1,0,0|0,0,2]=4 20889 B12R1.32 O=C(C=CCl)CC1CCCCC1 1458a_200016279998_100000211423 [0,1,0,1,0,0|0,0,2]=4 20890 B12R1.32 O=C(C=CI)CC1CCCCC1 1458a_100016256311_100000211423 [0,1,0,1,0,0|0,0,2]=4 20891 B12R1.32 O=C(CCF)CC1=CCCCC1 1458a_100000039269_100011217306 [0,1,0,1,0,0|0,0,2]=4 20892 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,1,0,1,0,0|0,0,0]=2 20893 B12R1.32 O=C(CCF)CC1CCCCO1 1458a_100000238585_100011217306 [0,1,0,1,0,0|1,0,0]=3 20894 B12R1.32 O=C(CCF)CC1CCCOC1 1458a_100000741523_100011217306 [0,1,0,1,0,0|1,0,0]=3 20895 B12R1.32 O=C(CCF)CC1CCOCC1 1458a_100000757261_100011217306 [0,1,0,1,0,0|1,0,0]=3 20896 B12R1.32 O=C(CCF)CN1CCCCC1 1458a_100000740322_100011217306 [0,1,0,1,0,0|1,0,0]=3 20897 B12R1.32 O=C(CCF)CN1CCOCC1 1458a_100000740321_100011217306 [0,1,0,1,0,0|2,0,0]=4 20898 B12R1.32 O=C(CCO)CC1=CCCCC1 1458a_100000039269_100000211926 [0,1,0,1,0,0|0,0,2]=4 20899 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,1,0,1,0,0|0,0,0]=2 20900 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,1,0,1,0,0|0,0,0]=2 20901 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,1,0,1,0,0|1,0,0]=3 20902 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,1,0,1,0,0|1,0,0]=3 20903 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100000741523_100000211926 [0,1,0,1,0,0|1,0,0]=3 20904 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100011216618_100000741521 [0,1,0,1,0,0|1,0,0]=3 20905 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100000757261_100000211926 [0,1,0,1,0,0|1,0,0]=3 20906 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100011216618_100000754603 [0,1,0,1,0,0|1,0,0]=3 20907 B12R1.32 O=C(CCO)CN1CCCCC1 1458a_100000740322_100000211926 [0,1,0,1,0,0|1,0,0]=3 20908 B12R1.32 O=C(CCO)CN1CCOCC1 1458a_100000740321_100000211926 [0,1,0,1,0,0|2,0,0]=4 20909 B12R1.32 O=C(CCO)NC1CCCCC1 240690a_100000182618_100011216618 [0,1,0,1,0,0|1,0,0]=3 20910 B12R1.32 O=C(CCO)NC1CCCOC1 240690a_100000719290_100011216618 [0,1,0,1,0,0|2,0,0]=4 20911 B12R1.32 O=C(CCO)NC1CCOCC1 240690a_100000741149_100011216618 [0,1,0,1,0,0|2,0,0]=4 20912 B12R1.32 O=C(CCO)NC1CCSCC1 240690a_100000748639_100011216618 [0,1,0,1,0,0|2,0,0]=4 20913 B12R1.32 [13CH3]NCC(=O)NC1CCCCC1 2230a_100015207117_200025704644 [0,1,0,1,0,0|1,0,0]=3 20914 B12R1.32 [13CH3]OC[C@@H](N)CC1CCCCC1 34a_100015184289_200025704644 [0,1,0,1,0,0|1,0,1]=4 20915 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_100000183541_200025704644 [0,1,0,1,0,0|1,0,0]=3 20916 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_200025704644_100000183541 [0,1,0,1,0,0|1,0,0]=3 20917 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_100000041653_200025704644 [0,1,0,1,0,0|1,0,0]=3 20918 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_200025704644_100000041653 [0,1,0,1,0,0|1,0,0]=3 20919 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [0,1,0,1,0,0|2,0,0]=4 20920 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [0,1,0,1,0,0|2,0,0]=4 20921 B12R1.37 CCCCCCCN1CCSC1 2230a_100011215254_100000210681 [0,1,0,1,0,0|1,1,0]=4 20922 B12R1.37 CCCCCCCN1CCSC1 269982a_100011215254_100000210681 [0,1,0,1,0,0|1,1,0]=4 20923 B12R1.37 CCCCCOCC1=NCCN1 34a_100000210253_100000737910 [0,1,0,1,0,0|2,0,0]=4 20924 B12R1.37 CCCCCOCC1=NCCN1 7a_100000210253_100000737910 [0,1,0,1,0,0|2,0,0]=4 20925 B12R1.37 CCCCCSCC1=NCCN1 62a_100000210326_100000737910 [0,1,0,1,0,0|2,0,0]=4 20926 B12R1.37 CCCCCSCC1=NCCN1 62a_100000737910_100000210326 [0,1,0,1,0,0|2,0,0]=4 20927 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100000211120_100000184674 [0,1,0,1,0,0|0,0,1]=3 20928 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100011220946_100000760354 [0,1,0,1,0,0|0,0,1]=3 20929 B12R1.51 C#CCC(=O)CCC1CCCO1 1458a_100011247709_100000184674 [0,1,0,1,0,0|1,0,1]=4 20930 B12R1.51 C#CCC(=O)CCN1CCCC1 1458a_100000738983_100000184674 [0,1,0,1,0,0|1,0,1]=4 20931 B12R1.51 C#CCC(=O)CCN1CCCC1 1458a_100011220946_100000004467 [0,1,0,1,0,0|1,0,1]=4 20932 B12R1.51 C#CCC(=O)COC1CCCC1 1458a_100000741352_100000184674 [0,1,0,1,0,0|1,0,1]=4 20933 B12R1.51 C#CCC(=O)NCC1CCCC1 1626a_100000737975_100011220946 [0,1,0,1,0,0|1,0,1]=4 20934 B12R1.51 C#CCC(=O)NCC1CCCC1 527a_100000737975_100011220946 [0,1,0,1,0,0|1,0,1]=4 20935 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000210193_100000760354 [0,1,0,1,0,0|0,0,1]=3 20936 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000211120_100000210623 [0,1,0,1,0,0|0,0,1]=3 20937 B12R1.51 C=CCC(=O)CCC1CCCO1 1458a_100011247709_100000210623 [0,1,0,1,0,0|1,0,1]=4 20938 B12R1.51 C=CCC(=O)CCN1CCCC1 1458a_100000210193_100000004467 [0,1,0,1,0,0|1,0,1]=4 20939 B12R1.51 C=CCC(=O)CCN1CCCC1 1458a_100000738983_100000210623 [0,1,0,1,0,0|1,0,1]=4 20940 B12R1.51 C=CCC(=O)COC1CCCC1 1458a_100000741352_100000210623 [0,1,0,1,0,0|1,0,1]=4 20941 B12R1.51 C=CCC(=O)NCC1CCCC1 11a_100000737975_100000210193 [0,1,0,1,0,0|1,0,1]=4 20942 B12R1.51 C=CCC(=O)NCC1CCCC1 1626a_100000737975_100000210193 [0,1,0,1,0,0|1,0,1]=4 20943 B12R1.51 C=CCC(=O)NCC1CCCC1 240690a_100000737975_100000210193 [0,1,0,1,0,0|1,0,1]=4 20944 B12R1.51 C=CCC(=O)NCC1CCCC1 527a_100000737975_100000210193 [0,1,0,1,0,0|1,0,1]=4 20945 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [0,1,0,1,0,0|0,0,1]=3 20946 B12R1.51 CC#CC(=O)CCN1CCCC1 1458a_100000763181_100000004467 [0,1,0,1,0,0|1,0,1]=4 20947 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [0,1,0,1,0,0|0,0,1]=3 20948 B12R1.51 CC=CC(=O)CCN1CCCC1 1458a_100000210699_100000004467 [0,1,0,1,0,0|1,0,1]=4 20949 B12R1.51 CC=CC(=O)NCC1CCCC1 11a_100000737975_100000210699 [0,1,0,1,0,0|1,0,1]=4 20950 B12R1.51 CC=CC(=O)NCC1CCCC1 1626a_100000737975_100000210699 [0,1,0,1,0,0|1,0,1]=4 20951 B12R1.51 CC=CC(=O)NCC1CCCC1 240690a_100000737975_100000210699 [0,1,0,1,0,0|1,0,1]=4 20952 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,1,0,1,0,0|0,0,0]=2 20953 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,1,0,1,0,0|0,0,0]=2 20954 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,1,0,1,0,0|1,0,0]=3 20955 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,1,0,1,0,0|2,0,0]=4 20956 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,1,0,1,0,0|2,0,0]=4 20957 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [0,1,0,1,0,0|1,0,0]=3 20958 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [0,1,0,1,0,0|1,0,0]=3 20959 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,1,0,1,0,0|2,0,0]=4 20960 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,1,0,1,0,0|1,0,0]=3 20961 B12R1.51 CCCC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747444 [0,1,0,1,0,0|2,0,0]=4 20962 B12R1.51 CCCC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747444 [0,1,0,1,0,0|2,0,0]=4 20963 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,1,0,1,0,0|1,0,0]=3 20964 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,1,0,1,0,0|1,0,0]=3 20965 B12R1.51 CCCC(=O)COC1CCSC1 7a_100011232664_100000747444 [0,1,0,1,0,0|2,0,0]=4 20966 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,1,0,1,0,0|1,0,0]=3 20967 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,1,0,1,0,0|1,0,0]=3 20968 B12R1.51 CCCC(=O)CSC1CCOC1 62a_100000747444_100000690089 [0,1,0,1,0,0|2,0,0]=4 20969 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 20970 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 20971 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 20972 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 20973 B12R1.51 CCCC(=O)NCC1CCOC1 11a_100000737293_100000211992 [0,1,0,1,0,0|2,0,0]=4 20974 B12R1.51 CCCC(=O)NCC1CCOC1 1626a_100000737293_100000211992 [0,1,0,1,0,0|2,0,0]=4 20975 B12R1.51 CCCC(=O)NCC1CCOC1 240690a_100000737293_100000211992 [0,1,0,1,0,0|2,0,0]=4 20976 B12R1.51 CCCC(=O)NCC1CCOC1 527a_100000737293_100000211992 [0,1,0,1,0,0|2,0,0]=4 20977 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,1,0,1,0,0|2,0,0]=4 20978 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,1,0,1,0,0|2,0,0]=4 20979 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,1,0,1,0,0|2,0,0]=4 20980 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,1,0,1,0,0|2,0,0]=4 20981 B12R1.51 CCCC(=O)NNC1CCCC1 22a_100000737850_100000211992 [0,1,0,1,0,0|2,0,0]=4 20982 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,1,0,1,0,0|2,0,0]=4 20983 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,1,0,1,0,0|2,0,0]=4 20984 B12R1.51 CCCN(C)CCC1CCCC1 2230a_100000747261_100000760354 [0,1,0,1,0,0|2,0,0]=4 20985 B12R1.51 CCCN(C)CCC1CCCC1 269982a_100000747261_100000760354 [0,1,0,1,0,0|2,0,0]=4 20986 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,1,0,1,0,0|0,0,0]=2 20987 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,1,0,1,0,0|0,0,0]=2 20988 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,1,0,1,0,0|0,0,0]=2 20989 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,1,0,1,0,0|1,0,0]=3 20990 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,1,0,1,0,0|1,0,0]=3 20991 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,1,0,1,0,0|1,0,0]=3 20992 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [0,1,0,1,0,0|1,0,0]=3 20993 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [0,1,0,1,0,0|1,0,0]=3 20994 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [0,1,0,1,0,0|1,0,0]=3 20995 B12R1.51 CCNC(=O)CCN1CCCO1 240690a_100015525214_200015187630 [0,1,0,1,0,0|2,0,0]=4 20996 B12R1.51 CCNC(=O)CCN1CCSC1 2230a_100011215254_100000737597 [0,1,0,1,0,0|2,0,0]=4 20997 B12R1.51 CCNC(=O)CCN1CCSC1 269982a_100011215254_100000737597 [0,1,0,1,0,0|2,0,0]=4 20998 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,1,0,1,0,0|1,0,0]=3 20999 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,1,0,1,0,0|1,0,0]=3 21000 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,1,0,1,0,0|1,0,0]=3 21001 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,1,0,1,0,0|1,0,0]=3 21002 B12R1.51 CCNC(=O)CNC1CCOC1 2230a_100016988866_100000731011 [0,1,0,1,0,0|2,0,0]=4 21003 B12R1.51 CCNC(=O)CNC1CCOC1 270004a_100016988866_100000752484 [0,1,0,1,0,0|2,0,0]=4 21004 B12R1.51 CCNC(=O)CNC1CCSC1 270004a_100016988866_100000212027 [0,1,0,1,0,0|2,0,0]=4 21005 B12R1.51 CCNC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000183381 [0,1,0,1,0,0|2,0,0]=4 21006 B12R1.51 CCNC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000183381 [0,1,0,1,0,0|2,0,0]=4 21007 B12R1.51 CCNC(=O)CN[C@H]1CCOC1 34a_100015188467_100000183381 [0,1,0,1,0,0|2,0,0]=4 21008 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 21009 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 21010 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,1,0,1,0,0|1,0,0]=3 21011 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 21012 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,1,0,1,0,0|1,0,0]=3 21013 B12R1.51 CCNC(=O)COC1CCCO1 34a_100000085407_100000183381 [0,1,0,1,0,0|2,0,0]=4 21014 B12R1.51 CCNC(=O)COC1CCSC1 7a_100011232664_100000183381 [0,1,0,1,0,0|2,0,0]=4 21015 B12R1.51 CCNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000183381 [0,1,0,1,0,0|2,0,0]=4 21016 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,1,0,1,0,0|1,0,0]=3 21017 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,1,0,1,0,0|1,0,0]=3 21018 B12R1.51 CCNC(=O)CSC1CCOC1 62a_100000183381_100000690089 [0,1,0,1,0,0|2,0,0]=4 21019 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,1,0,1,0,0|1,0,0]=3 21020 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,1,0,1,0,0|1,0,0]=3 21021 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,1,0,1,0,0|1,0,0]=3 21022 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,1,0,1,0,0|1,0,0]=3 21023 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,1,0,1,0,0|1,0,0]=3 21024 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,1,0,1,0,0|1,0,0]=3 21025 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 21026 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 21027 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 21028 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 21029 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 21030 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 21031 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100015525214_100020590478 [0,1,0,1,0,0|2,0,0]=4 21032 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 21033 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100015525214_100020590478 [0,1,0,1,0,0|2,0,0]=4 21034 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 21035 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 21036 B12R1.51 CCNC(=O)NNC1CCCC1 273464a_100015525214_100000737850 [0,1,0,1,0,0|2,0,0]=4 21037 B12R1.51 CCNC(=O)NNC1CCCC1 512a_100015525214_100000737850 [0,1,0,1,0,0|2,0,0]=4 21038 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,1,0,1,0,0|1,0,0]=3 21039 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,1,0,1,0,0|1,0,0]=3 21040 B12R1.51 CCOC(=O)CCN1CCSC1 2230a_100011215254_100011206558 [0,1,0,1,0,0|2,0,0]=4 21041 B12R1.51 CCOC(=O)CCN1CCSC1 269982a_100011215254_100011206558 [0,1,0,1,0,0|2,0,0]=4 21042 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,1,0,1,0,0|1,0,0]=3 21043 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,1,0,1,0,0|1,0,0]=3 21044 B12R1.51 CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000188475 [0,1,0,1,0,0|2,0,0]=4 21045 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000188475 [0,1,0,1,0,0|2,0,0]=4 21046 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000188475 [0,1,0,1,0,0|2,0,0]=4 21047 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,1,0,1,0,0|1,0,0]=3 21048 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,1,0,1,0,0|1,0,0]=3 21049 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,1,0,1,0,0|2,0,0]=4 21050 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [0,1,0,1,0,0|2,0,0]=4 21051 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [0,1,0,1,0,0|2,0,0]=4 21052 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,1,0,1,0,0|1,0,0]=3 21053 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,1,0,1,0,0|1,0,0]=3 21054 B12R1.51 CCOC(=O)CSC1CCOC1 62a_100000188475_100000690089 [0,1,0,1,0,0|2,0,0]=4 21055 B12R1.51 CN(CCO)CCC1CCCC1 2230a_100000210263_100000760354 [0,1,0,1,0,0|2,0,0]=4 21056 B12R1.51 CN(CCO)CCC1CCCC1 269982a_100000210263_100000760354 [0,1,0,1,0,0|2,0,0]=4 21057 B12R1.51 CNCC(=O)NCC1CCCO1 2230a_106832991635_100000182893 [0,1,0,1,0,0|2,0,0]=4 21058 B12R1.51 CNCC(=O)NCC1CCCO1 7a_106832991635_100000182893 [0,1,0,1,0,0|2,0,0]=4 21059 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [0,1,0,1,0,0|1,0,0]=3 21060 B12R1.51 CNNC(=O)CCC1CCCO1 22a_100016993582_100011247709 [0,1,0,1,0,0|2,0,0]=4 21061 B12R1.51 CNNC(=O)CCN1CCCC1 22a_100016993582_100000738983 [0,1,0,1,0,0|2,0,0]=4 21062 B12R1.51 CNNC(=O)COC1CCCC1 22a_100016993582_100000741352 [0,1,0,1,0,0|2,0,0]=4 21063 B12R1.51 CNNC(=O)NCC1CCCC1 273464a_100000737975_100016993582 [0,1,0,1,0,0|2,0,0]=4 21064 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100000737975_100016993582 [0,1,0,1,0,0|2,0,0]=4 21065 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100016993582_100000737975 [0,1,0,1,0,0|2,0,0]=4 21066 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,1,0,1,0,0|0,0,0]=2 21067 B12R1.51 COCC(=O)CCC1OCCO1 1458a_100000210968_100000740749 [0,1,0,1,0,0|2,0,0]=4 21068 B12R1.51 COCC(=O)CCN1CCCC1 1458a_100000210968_100000004467 [0,1,0,1,0,0|1,0,0]=3 21069 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,1,0,1,0,0|1,0,0]=3 21070 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,1,0,1,0,0|1,0,0]=3 21071 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,1,0,1,0,0|1,0,0]=3 21072 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,1,0,1,0,0|1,0,0]=3 21073 B12R1.51 COCC(=O)NCC1CCOC1 11a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 21074 B12R1.51 COCC(=O)NCC1CCOC1 1626a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 21075 B12R1.51 COCC(=O)NCC1CCOC1 240690a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 21076 B12R1.51 COCC(=O)NCC1CCOC1 527a_100000737293_100000210968 [0,1,0,1,0,0|2,0,0]=4 21077 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 21078 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 21079 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 21080 B12R1.51 COCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210968 [0,1,0,1,0,0|2,0,0]=4 21081 B12R1.51 COCC(=O)NNC1CCCC1 22a_100000737850_100000210968 [0,1,0,1,0,0|2,0,0]=4 21082 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,1,0,1,0,0|0,0,0]=2 21083 B12R1.51 CSCC(=O)CCC1OCCO1 1458a_100000184570_100000740749 [0,1,0,1,0,0|2,0,0]=4 21084 B12R1.51 CSCC(=O)CCN1CCCC1 1458a_100000184570_100000004467 [0,1,0,1,0,0|1,0,0]=3 21085 B12R1.51 CSCC(=O)NCC1CCCC1 11a_100000737975_100000184570 [0,1,0,1,0,0|1,0,0]=3 21086 B12R1.51 CSCC(=O)NCC1CCCC1 1626a_100000737975_100000184570 [0,1,0,1,0,0|1,0,0]=3 21087 B12R1.51 CSCC(=O)NCC1CCCC1 240690a_100000737975_100000184570 [0,1,0,1,0,0|1,0,0]=3 21088 B12R1.51 CSCC(=O)NCC1CCCC1 527a_100000737975_100000184570 [0,1,0,1,0,0|1,0,0]=3 21089 B12R1.51 CSCC(=O)NCC1CCCO1 62a_100000182893_200000210301 [0,1,0,1,0,0|2,0,0]=4 21090 B12R1.51 CSCC(=O)NCC1CCCO1 62a_200000210301_100000182893 [0,1,0,1,0,0|2,0,0]=4 21091 B12R1.51 CSCC(=O)NCC1CCOC1 11a_100000737293_100000184570 [0,1,0,1,0,0|2,0,0]=4 21092 B12R1.51 CSCC(=O)NCC1CCOC1 1626a_100000737293_100000184570 [0,1,0,1,0,0|2,0,0]=4 21093 B12R1.51 CSCC(=O)NCC1CCOC1 240690a_100000737293_100000184570 [0,1,0,1,0,0|2,0,0]=4 21094 B12R1.51 CSCC(=O)NCC1CCOC1 527a_100000737293_100000184570 [0,1,0,1,0,0|2,0,0]=4 21095 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000184570 [0,1,0,1,0,0|2,0,0]=4 21096 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000184570 [0,1,0,1,0,0|2,0,0]=4 21097 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000184570 [0,1,0,1,0,0|2,0,0]=4 21098 B12R1.51 CSCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000184570 [0,1,0,1,0,0|2,0,0]=4 21099 B12R1.51 CSCC(=O)NNC1CCCC1 22a_100000737850_100000184570 [0,1,0,1,0,0|2,0,0]=4 21100 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100000211120_100011214920 [0,1,0,1,0,0|0,0,1]=3 21101 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100051588842_100000760354 [0,1,0,1,0,0|0,0,1]=3 21102 B12R1.51 N#CCC(=O)CCC1CCCO1 1458a_100011247709_100011214920 [0,1,0,1,0,0|1,0,1]=4 21103 B12R1.51 N#CCC(=O)CCN1CCCC1 1458a_100000738983_100011214920 [0,1,0,1,0,0|1,0,1]=4 21104 B12R1.51 N#CCC(=O)CCN1CCCC1 1458a_100051588842_100000004467 [0,1,0,1,0,0|1,0,1]=4 21105 B12R1.51 N#CCC(=O)COC1CCCC1 1458a_100000741352_100011214920 [0,1,0,1,0,0|1,0,1]=4 21106 B12R1.51 N#CCC(=O)NCC1CCCC1 1626a_100000737975_100051588842 [0,1,0,1,0,0|1,0,1]=4 21107 B12R1.51 N#CCC(=O)NCC1CCCC1 240690a_100000737975_100051588842 [0,1,0,1,0,0|1,0,1]=4 21108 B12R1.51 O=C(C=CBr)CCC1CCCC1 1458a_100016273825_100000760354 [0,1,0,1,0,0|0,0,2]=4 21109 B12R1.51 O=C(C=CCl)CCC1CCCC1 1458a_200016279998_100000760354 [0,1,0,1,0,0|0,0,2]=4 21110 B12R1.51 O=C(C=CI)CCC1CCCC1 1458a_100016256311_100000760354 [0,1,0,1,0,0|0,0,2]=4 21111 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,1,0,1,0,0|0,0,0]=2 21112 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,1,0,1,0,0|1,0,0]=3 21113 B12R1.51 O=C(CCF)CCC1OCCO1 1458a_100000082924_100011217306 [0,1,0,1,0,0|2,0,0]=4 21114 B12R1.51 O=C(CCF)CCN1CCCC1 1458a_100000738983_100011217306 [0,1,0,1,0,0|1,0,0]=3 21115 B12R1.51 O=C(CCF)CCN1CCCO1 1458a_200015187630_100011217306 [0,1,0,1,0,0|2,0,0]=4 21116 B12R1.51 O=C(CCF)COC1CCCC1 1458a_100000741352_100011217306 [0,1,0,1,0,0|1,0,0]=3 21117 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,1,0,1,0,0|0,0,0]=2 21118 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,1,0,1,0,0|0,0,0]=2 21119 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,1,0,1,0,0|1,0,0]=3 21120 B12R1.51 O=C(CCO)CCC1OCCO1 1458a_100000082924_100000211926 [0,1,0,1,0,0|2,0,0]=4 21121 B12R1.51 O=C(CCO)CCC1OCCO1 1458a_100011216618_100000740749 [0,1,0,1,0,0|2,0,0]=4 21122 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100000738983_100000211926 [0,1,0,1,0,0|1,0,0]=3 21123 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100011216618_100000004467 [0,1,0,1,0,0|1,0,0]=3 21124 B12R1.51 O=C(CCO)CCN1CCCO1 1458a_200015187630_100000211926 [0,1,0,1,0,0|2,0,0]=4 21125 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,1,0,1,0,0|1,0,0]=3 21126 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,1,0,1,0,0|1,0,0]=3 21127 B12R1.51 O=C(CCO)NCC1CCOC1 240690a_100000737293_100011216618 [0,1,0,1,0,0|2,0,0]=4 21128 B12R1.51 O=C(CCO)NC[C@@H]1CCCO1 240690a_100020590478_100011216618 [0,1,0,1,0,0|2,0,0]=4 21129 B12R1.51 O=C(CCO)NNC1CCCC1 22a_100000737850_100011216618 [0,1,0,1,0,0|2,0,0]=4 21130 B12R1.51 O=C(CNC1CCCC1)NCO 2230a_100000211070_100000185155 [0,1,0,1,0,0|2,0,0]=4 21131 B12R1.51 O=C(CNC1CCCC1)NCO 34a_100000211070_100000185155 [0,1,0,1,0,0|2,0,0]=4 21132 B12R1.51 O=C(COC1CCCC1)NCO 34a_100000210269_100000185155 [0,1,0,1,0,0|2,0,0]=4 21133 B12R1.51 O=C(COC1CCCC1)NCO 7a_100000210269_100000185155 [0,1,0,1,0,0|2,0,0]=4 21134 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100000185155_100000179811 [0,1,0,1,0,0|2,0,0]=4 21135 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100011217020_100000185155 [0,1,0,1,0,0|2,0,0]=4 21136 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_100000182893_200025704644 [0,1,0,1,0,0|2,0,0]=4 21137 B12R1.51 [13CH3]SCC(=O)NCC1CCCO1 62a_200025704644_100000182893 [0,1,0,1,0,0|2,0,0]=4 21138 B12R1.62 CCCCCCCN1CC(C1)C 2230a_100000702820_100000210681 [0,1,0,1,0,0|2,0,0]=4 21139 B12R1.62 CCCCCCCN1CC(C1)C 269982a_100000702820_100000210681 [0,1,0,1,0,0|2,0,0]=4 21140 B12R1.62 CCCCCCCN1CC(C1)C 34a_100000702820_100000210614 [0,1,0,1,0,0|2,0,0]=4 21141 B12R1.62 CCCCCCCN1CC(C1)F 2230a_100000690557_100000210681 [0,1,0,1,0,0|2,0,0]=4 21142 B12R1.62 CCCCCCCN1CC(C1)F 269982a_100000690557_100000210681 [0,1,0,1,0,0|2,0,0]=4 21143 B12R1.62 CCCCCCCN1CC(C1)F 34a_100000690557_100000210614 [0,1,0,1,0,0|2,0,0]=4 21144 B12R1.62 CCCCCCCN1CC(C1)O 269982a_100000749847_100000210681 [0,1,0,1,0,0|2,0,0]=4 21145 B12R1.69 CCNCC1CCC(=CC1C)C 269862a_100015525214_100000075207 [0,1,0,1,0,0|2,0,0]=4 21146 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,1,0,1,0,0|2,0,0]=4 21147 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,1,0,1,0,0|2,0,0]=4 21148 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,1,0,1,0,0|2,0,0]=4 21149 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,1,0,1,0,0|1,0,1]=4 21150 B12R1.173 COCN1CCCCCCCC1 2230a_100000039187_100000766300 [0,1,0,1,0,0|2,0,0]=4 21151 B12R1.173 COCN1CCCCCCCC1 269982a_100000039187_100000766300 [0,1,0,1,0,0|2,0,0]=4 21152 B12R1.173 CSCN1CCCCCCCC1 2230a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 21153 B12R1.173 CSCN1CCCCCCCC1 269982a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 21154 B12R1.173 CSCN1CCCCCCCC1 34a_100000039187_100011218213 [0,1,0,1,0,0|2,0,0]=4 21155 B12R1.173 FCCN1CCCCCCCC1 2230a_100000039187_100011217306 [0,1,0,1,0,0|2,0,0]=4 21156 B12R1.173 FCCN1CCCCCCCC1 269982a_100000039187_100011217306 [0,1,0,1,0,0|2,0,0]=4 21157 B12R1.173 FCCN1CCCCCCCC1 34a_100000039187_100011217306 [0,1,0,1,0,0|2,0,0]=4 21158 B12R1.173 OCCN1CCCCCCCC1 2230a_100000039187_100000211926 [0,1,0,1,0,0|2,0,0]=4 21159 B12R1.173 OCCN1CCCCCCCC1 269982a_100000039187_100000211926 [0,1,0,1,0,0|2,0,0]=4 21160 B12R1.173 OCCN1CCCCCCCC1 34a_100000039187_100000211926 [0,1,0,1,0,0|2,0,0]=4 21161 B12R1.308 C#CCC(=O)C1CCCCC1C 1458a_100011215568_100000184674 [0,1,0,1,0,0|0,0,1]=3 21162 B12R1.308 C#CCC(=O)C1CCCCC1O 1458a_100011803323_100000184674 [0,1,0,1,0,0|1,0,1]=4 21163 B12R1.308 C#CCC(=O)N1CCCCC1C 1626a_100000211376_100011220946 [0,1,0,1,0,0|1,0,1]=4 21164 B12R1.308 C#CCC(=O)N1CCCCC1C 527a_100000211376_100011220946 [0,1,0,1,0,0|1,0,1]=4 21165 B12R1.308 C#CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000184674 [0,1,0,1,0,0|1,0,1]=4 21166 B12R1.308 C=CCC(=O)C1CCCCC1C 1458a_100011215568_100000210623 [0,1,0,1,0,0|0,0,1]=3 21167 B12R1.308 C=CCC(=O)C1CCCCC1O 1458a_100011803323_100000210623 [0,1,0,1,0,0|1,0,1]=4 21168 B12R1.308 C=CCC(=O)N1CCCCC1C 11a_100000211376_100000210193 [0,1,0,1,0,0|1,0,1]=4 21169 B12R1.308 C=CCC(=O)N1CCCCC1C 1626a_100000211376_100000210193 [0,1,0,1,0,0|1,0,1]=4 21170 B12R1.308 C=CCC(=O)N1CCCCC1C 240690a_100000211376_100000210193 [0,1,0,1,0,0|1,0,1]=4 21171 B12R1.308 C=CCC(=O)N1CCCCC1C 527a_100000211376_100000210193 [0,1,0,1,0,0|1,0,1]=4 21172 B12R1.308 C=CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210623 [0,1,0,1,0,0|1,0,1]=4 21173 B12R1.308 CC1CCCCC1C(=O)CC#N 1458a_100011215568_100011214920 [0,1,0,1,0,0|0,0,1]=3 21174 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,1,0,1,0,0|0,0,0]=2 21175 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,1,0,1,0,0|0,0,0]=2 21176 B12R1.308 CC1CCCCC1N(C)CCO 270004a_100000210263_100000210921 [0,1,0,1,0,0|2,0,0]=4 21177 B12R1.308 CC1CCCCN1C(=O)CC#N 1626a_100000211376_100051588842 [0,1,0,1,0,0|1,0,1]=4 21178 B12R1.308 CC1CCCCN1C(=O)CC#N 240690a_100000211376_100051588842 [0,1,0,1,0,0|1,0,1]=4 21179 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,1,0,1,0,0|1,0,0]=3 21180 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_100000182743_200025704644 [0,1,0,1,0,0|1,0,0]=3 21181 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000182743 [0,1,0,1,0,0|1,0,0]=3 21182 B12R1.308 CC=CC(=O)N1CCCCC1C 11a_100000211376_100000210699 [0,1,0,1,0,0|1,0,1]=4 21183 B12R1.308 CC=CC(=O)N1CCCCC1C 1626a_100000211376_100000210699 [0,1,0,1,0,0|1,0,1]=4 21184 B12R1.308 CC=CC(=O)N1CCCCC1C 240690a_100000211376_100000210699 [0,1,0,1,0,0|1,0,1]=4 21185 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,1,0,1,0,0|1,0,1]=4 21186 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,1,0,1,0,0|0,0,0]=2 21187 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,1,0,1,0,0|1,0,0]=3 21188 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 21189 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 21190 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 21191 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 21192 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211992 [0,1,0,1,0,0|2,0,0]=4 21193 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211992 [0,1,0,1,0,0|2,0,0]=4 21194 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211992 [0,1,0,1,0,0|2,0,0]=4 21195 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [0,1,0,1,0,0|1,0,0]=3 21196 B12R1.308 CCCN(C)C1CCCCC1C 270004a_100000747261_100000210921 [0,1,0,1,0,0|2,0,0]=4 21197 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,1,0,1,0,0|0,0,0]=2 21198 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,1,0,1,0,0|0,0,0]=2 21199 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,1,0,1,0,0|0,0,0]=2 21200 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,1,0,1,0,0|1,0,0]=3 21201 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,1,0,1,0,0|1,0,0]=3 21202 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 2708a_100015525214_100009815349 [0,1,0,1,0,0|2,0,0]=4 21203 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 273464a_100015525214_100009815349 [0,1,0,1,0,0|2,0,0]=4 21204 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [0,1,0,1,0,0|1,0,0]=3 21205 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [0,1,0,1,0,0|1,0,0]=3 21206 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [0,1,0,1,0,0|1,0,0]=3 21207 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,1,0,1,0,0|1,0,0]=3 21208 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,1,0,1,0,0|1,0,0]=3 21209 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,1,0,1,0,0|1,0,0]=3 21210 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,1,0,1,0,0|1,0,0]=3 21211 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [0,1,0,1,0,0|2,0,0]=4 21212 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [0,1,0,1,0,0|2,0,0]=4 21213 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [0,1,0,1,0,0|2,0,0]=4 21214 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [0,1,0,1,0,0|2,0,0]=4 21215 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [0,1,0,1,0,0|2,0,0]=4 21216 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [0,1,0,1,0,0|2,0,0]=4 21217 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [0,1,0,1,0,0|2,0,0]=4 21218 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [0,1,0,1,0,0|2,0,0]=4 21219 B12R1.308 CN1CCCC[C@@H]1C(=O)CC#N 1458a_100000767060_100011214920 [0,1,0,1,0,0|1,0,1]=4 21220 B12R1.308 CN1CCCC[C@@H]1C(=O)CCF 1458a_100000767060_100011217306 [0,1,0,1,0,0|1,0,0]=3 21221 B12R1.308 CN1CCCC[C@@H]1C(=O)CCO 1458a_100000767060_100000211926 [0,1,0,1,0,0|1,0,0]=3 21222 B12R1.308 CNCC(=O)N1CCCCC1C 2230a_106832991635_100000182743 [0,1,0,1,0,0|1,0,0]=3 21223 B12R1.308 CNCC(=O)N1CCCCC1C 34a_100102657272_100000182743 [0,1,0,1,0,0|1,0,0]=3 21224 B12R1.308 CNCC(=O)N1CCCCC1C 7a_106832991635_100000182743 [0,1,0,1,0,0|1,0,0]=3 21225 B12R1.308 CNNC(=O)C1CCCCC1C 22a_100016993582_100011215568 [0,1,0,1,0,0|1,0,0]=3 21226 B12R1.308 CNNC(=O)C1CCCCC1O 22a_100016993582_100011803323 [0,1,0,1,0,0|2,0,0]=4 21227 B12R1.308 CNNC(=O)[C@H]1CCCCN1C 22a_100016993582_100000767060 [0,1,0,1,0,0|2,0,0]=4 21228 B12R1.308 COCC(=O)C1CCCCC1=O 1458a_100000210968_100000204591 [0,1,0,1,0,0|1,0,1]=4 21229 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,1,0,1,0,0|1,0,0]=3 21230 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,1,0,1,0,0|1,0,0]=3 21231 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,1,0,1,0,0|1,0,0]=3 21232 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,1,0,1,0,0|1,0,0]=3 21233 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,1,0,1,0,0|1,0,0]=3 21234 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 21235 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 21236 B12R1.308 COCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210968 [0,1,0,1,0,0|2,0,0]=4 21237 B12R1.308 CSCC(=O)C1CCCCC1=O 1458a_100000184570_100000204591 [0,1,0,1,0,0|1,0,1]=4 21238 B12R1.308 CSCC(=O)N1CCCCC1C 11a_100000211376_100000184570 [0,1,0,1,0,0|1,0,0]=3 21239 B12R1.308 CSCC(=O)N1CCCCC1C 1626a_100000211376_100000184570 [0,1,0,1,0,0|1,0,0]=3 21240 B12R1.308 CSCC(=O)N1CCCCC1C 240690a_100000211376_100000184570 [0,1,0,1,0,0|1,0,0]=3 21241 B12R1.308 CSCC(=O)N1CCCCC1C 527a_100000211376_100000184570 [0,1,0,1,0,0|1,0,0]=3 21242 B12R1.308 CSCC(=O)N1CCCCC1C 62a_100000182743_200000210301 [0,1,0,1,0,0|1,0,0]=3 21243 B12R1.308 CSCC(=O)N1CCCCC1C 62a_200000210301_100000182743 [0,1,0,1,0,0|1,0,0]=3 21244 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000184570 [0,1,0,1,0,0|2,0,0]=4 21245 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000184570 [0,1,0,1,0,0|2,0,0]=4 21246 B12R1.308 CSCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000184570 [0,1,0,1,0,0|2,0,0]=4 21247 B12R1.308 C[C@H]1COCCN1C(=O)CCO 240690a_100009815349_100011216618 [0,1,0,1,0,0|2,0,0]=4 21248 B12R1.308 N#CCC(=O)C1CCCCC1O 1458a_100011803323_100011214920 [0,1,0,1,0,0|1,0,1]=4 21249 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,1,0,1,0,0|1,0,0]=3 21250 B12R1.308 O=C(CCO)C1CCCCC1=O 1458a_100011216618_100000204591 [0,1,0,1,0,0|1,0,1]=4 21251 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,1,0,1,0,0|1,0,0]=3 21252 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,1,0,1,0,0|1,0,0]=3 21253 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,1,0,1,0,0|1,0,0]=3 21254 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,1,0,1,0,0|1,0,0]=3 21255 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000732470_100000747444 [0,1,0,1,0,0|2,0,0]=4 21256 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000747444_100000732470 [0,1,0,1,0,0|2,0,0]=4 21257 B12R1.310 CCCC(=O)OCNCC1CC1 2230a_100000735609_100000034017 [0,1,0,1,0,0|2,0,0]=4 21258 B12R1.310 CCCC(=O)OCNCC1CC1 34a_100000735609_100000034017 [0,1,0,1,0,0|2,0,0]=4 21259 B12R1.310 CCCC(=O)OCOCC1CC1 34a_100000211283_100000034017 [0,1,0,1,0,0|2,0,0]=4 21260 B12R1.310 CCCC(=O)OCSCC1CC1 62a_100000756562_100000034017 [0,1,0,1,0,0|2,0,0]=4 21261 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [0,1,0,1,0,0|1,0,0]=3 21262 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [0,1,0,1,0,0|1,0,0]=3 21263 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [0,1,0,1,0,0|1,0,0]=3 21264 B12R1.310 CCNC(=O)CCNCC1CO1 34a_100025743525_102125554688 [0,1,0,1,0,0|2,0,0]=4 21265 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [0,1,0,1,0,0|1,0,0]=3 21266 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [0,1,0,1,0,0|1,0,0]=3 21267 B12R1.310 CCNC(=O)CCSCC1CO1 62a_100000737597_102125554688 [0,1,0,1,0,0|2,0,0]=4 21268 B12R1.310 CCNC(=O)CCSCC1CO1 62a_102125554688_100000737597 [0,1,0,1,0,0|2,0,0]=4 21269 B12R1.310 CCNC(=O)CCSCC1CS1 62a_100000031435_100000737597 [0,1,0,1,0,0|2,0,0]=4 21270 B12R1.310 CCNC(=O)CCSCC1CS1 62a_100000737597_100000031435 [0,1,0,1,0,0|2,0,0]=4 21271 B12R1.310 CCNC(=O)CCSC[C@@H]1CO1 62a_100000737597_100000745022 [0,1,0,1,0,0|2,0,0]=4 21272 B12R1.310 CCNC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000737597 [0,1,0,1,0,0|2,0,0]=4 21273 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [0,1,0,1,0,0|1,0,0]=3 21274 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [0,1,0,1,0,0|1,0,0]=3 21275 B12R1.310 CCNC(=O)CNCCC1CO1 2230a_100016988866_100000732470 [0,1,0,1,0,0|2,0,0]=4 21276 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,1,0,1,0,0|1,0,0]=3 21277 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,1,0,1,0,0|1,0,0]=3 21278 B12R1.310 CCNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183381 [0,1,0,1,0,0|2,0,0]=4 21279 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [0,1,0,1,0,0|1,0,0]=3 21280 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [0,1,0,1,0,0|1,0,0]=3 21281 B12R1.310 CCNC(=O)CSCCC1CO1 62a_100000183381_100000732470 [0,1,0,1,0,0|2,0,0]=4 21282 B12R1.310 CCNC(=O)CSCCC1CO1 62a_100000732470_100000183381 [0,1,0,1,0,0|2,0,0]=4 21283 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [0,1,0,1,0,0|1,0,0]=3 21284 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [0,1,0,1,0,0|1,0,0]=3 21285 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [0,1,0,1,0,0|1,0,0]=3 21286 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [0,1,0,1,0,0|1,0,0]=3 21287 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [0,1,0,1,0,0|1,0,0]=3 21288 B12R1.310 CCOC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000765890 [0,1,0,1,0,0|2,0,0]=4 21289 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [0,1,0,1,0,0|1,0,0]=3 21290 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [0,1,0,1,0,0|1,0,0]=3 21291 B12R1.310 CCOC(=O)CCSCC1CO1 62a_100000765890_102125554688 [0,1,0,1,0,0|2,0,0]=4 21292 B12R1.310 CCOC(=O)CCSCC1CO1 62a_102125554688_100000765890 [0,1,0,1,0,0|2,0,0]=4 21293 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000031435_100000765890 [0,1,0,1,0,0|2,0,0]=4 21294 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000765890_100000031435 [0,1,0,1,0,0|2,0,0]=4 21295 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000765890 [0,1,0,1,0,0|2,0,0]=4 21296 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000765890_100000745022 [0,1,0,1,0,0|2,0,0]=4 21297 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [0,1,0,1,0,0|1,0,0]=3 21298 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,1,0,1,0,0|1,0,0]=3 21299 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,1,0,1,0,0|1,0,0]=3 21300 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [0,1,0,1,0,0|2,0,0]=4 21301 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [0,1,0,1,0,0|1,0,0]=3 21302 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [0,1,0,1,0,0|1,0,0]=3 21303 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000188475_100000732470 [0,1,0,1,0,0|2,0,0]=4 21304 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000732470_100000188475 [0,1,0,1,0,0|2,0,0]=4 21305 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [0,1,0,1,0,0|2,0,0]=4 21306 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [0,1,0,1,0,0|2,0,0]=4 21307 B12R1.310 O=C(CNCCC1CC1)NCO 34a_100000764129_100000185155 [0,1,0,1,0,0|2,0,0]=4 21308 B12R1.310 O=C(COCCC1CC1)NCO 34a_100000754188_100000185155 [0,1,0,1,0,0|2,0,0]=4 21309 B12R1.310 O=C(COCCC1CC1)NCO 7a_100000754188_100000185155 [0,1,0,1,0,0|2,0,0]=4 21310 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000185155_100000764125 [0,1,0,1,0,0|2,0,0]=4 21311 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000764125_100000185155 [0,1,0,1,0,0|2,0,0]=4 21312 B12R1.311 CC(CCN)COC1CCC1=O 34a_106354213184_100009892977 [0,1,0,1,0,0|2,0,0]=4 21313 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,1,0,1,0,0|0,0,1]=3 21314 B12R1.311 CCCC(=O)CSC1CCC1=O 62a_100000747444_100009892977 [0,1,0,1,0,0|1,0,1]=4 21315 B12R1.311 CCCC(=O)CSC1CCC1=O 62a_100009892977_100000747444 [0,1,0,1,0,0|1,0,1]=4 21316 B12R1.311 CCCC(=O)OCN1CCC1C 269982a_100000755817_100000034017 [0,1,0,1,0,0|2,0,0]=4 21317 B12R1.311 CCCC(=O)OCN1CCC1C 34a_100000755817_100000034017 [0,1,0,1,0,0|2,0,0]=4 21318 B12R1.311 CCCC(C)COC1CCC1=O 34a_100000688023_100009892977 [0,1,0,1,0,0|1,0,0]=3 21319 B12R1.311 CCCC(C)COC1CCC1=O 7a_100000688023_100009892977 [0,1,0,1,0,0|1,0,0]=3 21320 B12R1.311 CCCC(C)CSC1CCC1=O 62a_100009892977_100011216630 [0,1,0,1,0,0|1,0,0]=3 21321 B12R1.311 CCCC(C)CSC1CCC1=O 62a_100011216630_100009892977 [0,1,0,1,0,0|1,0,0]=3 21322 B12R1.311 CCCN(C)CCC1CCC1=O 2230a_100000747261_200016118888 [0,1,0,1,0,0|1,0,0]=3 21323 B12R1.311 CCCN(C)CCC1CCC1=O 269982a_100000747261_200016118888 [0,1,0,1,0,0|1,0,0]=3 21324 B12R1.311 CCC[C@H](N)COC1CCC1=O 34a_100000732646_100009892977 [0,1,0,1,0,0|1,0,0]=3 21325 B12R1.311 CCNC(=O)CCN1CCC1C 269982a_100000755817_100000737597 [0,1,0,1,0,0|1,0,0]=3 21326 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [0,1,0,1,0,0|1,0,0]=3 21327 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [0,1,0,1,0,0|1,0,0]=3 21328 B12R1.311 CN(CCO)CCC1CCC1=O 2230a_100000210263_200016118888 [0,1,0,1,0,0|2,0,0]=4 21329 B12R1.311 CN(CCO)CCC1CCC1=O 269982a_100000210263_200016118888 [0,1,0,1,0,0|2,0,0]=4 21330 B12R1.311 COCC(=O)CCC1CCC1=O 1458a_100000210968_200016118888 [0,1,0,1,0,0|1,0,1]=4 21331 B12R1.311 COCC(N)COC1CCC1=O 34a_100000724102_100009892977 [0,1,0,1,0,0|2,0,0]=4 21332 B12R1.311 COCC(O)CNC1CCC1=O 34a_100000756049_100009892977 [0,1,0,1,0,0|2,0,0]=4 21333 B12R1.311 COCC(O)CSC1CCC1=O 62a_100009892977_100011215053 [0,1,0,1,0,0|2,0,0]=4 21334 B12R1.311 COCC(O)CSC1CCC1=O 62a_100011215053_100009892977 [0,1,0,1,0,0|2,0,0]=4 21335 B12R1.311 CSCC(=O)CCC1CCC1=O 1458a_100000184570_200016118888 [0,1,0,1,0,0|1,0,1]=4 21336 B12R1.311 O=C(CCO)CCC1CCC1=O 1458a_100011216618_200016118888 [0,1,0,1,0,0|1,0,1]=4 21337 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,1,0,1,0,0|1,0,0]=3 21338 B12R1.315 CCCC(=O)CNCC1COC1 2230a_100015281925_100000747444 [0,1,0,1,0,0|2,0,0]=4 21339 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747444 [0,1,0,1,0,0|2,0,0]=4 21340 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,1,0,1,0,0|1,0,0]=3 21341 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,1,0,1,0,0|1,0,0]=3 21342 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000103362_100000747444 [0,1,0,1,0,0|2,0,0]=4 21343 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000747444_100000103362 [0,1,0,1,0,0|2,0,0]=4 21344 B12R1.315 CCCC(=O)CSCC1COC1 62a_100000747444_100010264016 [0,1,0,1,0,0|2,0,0]=4 21345 B12R1.315 CCCC(=O)CSCC1COC1 62a_100010264016_100000747444 [0,1,0,1,0,0|2,0,0]=4 21346 B12R1.315 CCCC(=O)NCCN1CCC1 240690a_100000691440_100000211992 [0,1,0,1,0,0|2,0,0]=4 21347 B12R1.315 CCCC(=O)NNCC1CCC1 22a_200020586977_100000211992 [0,1,0,1,0,0|2,0,0]=4 21348 B12R1.315 CCCC(=O)OCNC1CCC1 2230a_100000749019_100000034017 [0,1,0,1,0,0|2,0,0]=4 21349 B12R1.315 CCCC(=O)OCNC1CCC1 34a_100000749019_100000034017 [0,1,0,1,0,0|2,0,0]=4 21350 B12R1.315 CCCC(=O)OCOC1CCC1 34a_100000748187_100000034017 [0,1,0,1,0,0|2,0,0]=4 21351 B12R1.315 CCNC(=O)CCNC1CCC1 2230a_100000749019_100000737597 [0,1,0,1,0,0|1,0,0]=3 21352 B12R1.315 CCNC(=O)CCNC1CCC1 270004a_100025743525_100000241760 [0,1,0,1,0,0|1,0,0]=3 21353 B12R1.315 CCNC(=O)CCNC1CCC1 34a_100025743525_100000749161 [0,1,0,1,0,0|1,0,0]=3 21354 B12R1.315 CCNC(=O)CCNC1COC1 2230a_100016991112_100000737597 [0,1,0,1,0,0|2,0,0]=4 21355 B12R1.315 CCNC(=O)CCNC1COC1 34a_100025743525_100009818527 [0,1,0,1,0,0|2,0,0]=4 21356 B12R1.315 CCNC(=O)CCOC1CSC1 7a_100000072292_100000737597 [0,1,0,1,0,0|2,0,0]=4 21357 B12R1.315 CCNC(=O)CCSC1CCC1 62a_100000737597_100000749161 [0,1,0,1,0,0|1,0,0]=3 21358 B12R1.315 CCNC(=O)CCSC1COC1 62a_100000737597_100009818527 [0,1,0,1,0,0|2,0,0]=4 21359 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [0,1,0,1,0,0|1,0,0]=3 21360 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [0,1,0,1,0,0|1,0,0]=3 21361 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [0,1,0,1,0,0|1,0,0]=3 21362 B12R1.315 CCNC(=O)CNCC1CCO1 2230a_100016988866_100000103362 [0,1,0,1,0,0|2,0,0]=4 21363 B12R1.315 CCNC(=O)CNCC1COC1 2230a_100015281925_100000183381 [0,1,0,1,0,0|2,0,0]=4 21364 B12R1.315 CCNC(=O)CNCC1COC1 2230a_100016988866_100010264016 [0,1,0,1,0,0|2,0,0]=4 21365 B12R1.315 CCNC(=O)CNCC1COC1 34a_100015281925_100000183381 [0,1,0,1,0,0|2,0,0]=4 21366 B12R1.315 CCNC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000183381 [0,1,0,1,0,0|2,0,0]=4 21367 B12R1.315 CCNC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000183381 [0,1,0,1,0,0|2,0,0]=4 21368 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [0,1,0,1,0,0|1,0,0]=3 21369 B12R1.315 CCNC(=O)COCC1CCO1 34a_100000039022_100000183381 [0,1,0,1,0,0|2,0,0]=4 21370 B12R1.315 CCNC(=O)COCC1CNC1 34a_100016987283_100000183381 [0,1,0,1,0,0|2,0,0]=4 21371 B12R1.315 CCNC(=O)COCC1COC1 34a_100000060846_100000183381 [0,1,0,1,0,0|2,0,0]=4 21372 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [0,1,0,1,0,0|1,0,0]=3 21373 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [0,1,0,1,0,0|1,0,0]=3 21374 B12R1.315 CCNC(=O)CSCC1CCO1 62a_100000103362_100000183381 [0,1,0,1,0,0|2,0,0]=4 21375 B12R1.315 CCNC(=O)CSCC1CCO1 62a_100000183381_100000103362 [0,1,0,1,0,0|2,0,0]=4 21376 B12R1.315 CCNC(=O)CSCC1COC1 62a_100000183381_100010264016 [0,1,0,1,0,0|2,0,0]=4 21377 B12R1.315 CCNC(=O)CSCC1COC1 62a_100010264016_100000183381 [0,1,0,1,0,0|2,0,0]=4 21378 B12R1.315 CCNC(=O)NCCN1CCC1 2708a_100000691440_100015525214 [0,1,0,1,0,0|2,0,0]=4 21379 B12R1.315 CCNC(=O)NCCN1CCC1 2708a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 21380 B12R1.315 CCNC(=O)NCCN1CCC1 273464a_100000691440_100015525214 [0,1,0,1,0,0|2,0,0]=4 21381 B12R1.315 CCNC(=O)NCCN1CCC1 273464a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 21382 B12R1.315 CCNC(=O)NCCN1CCC1 512a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 21383 B12R1.315 CCNC(=O)NNCC1CCC1 273464a_100015525214_200020586977 [0,1,0,1,0,0|2,0,0]=4 21384 B12R1.315 CCNC(=O)NNCC1CCC1 512a_100015525214_200020586977 [0,1,0,1,0,0|2,0,0]=4 21385 B12R1.315 CCNC(=O)NNCC1CCC1 512a_200020586977_100015525214 [0,1,0,1,0,0|2,0,0]=4 21386 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [0,1,0,1,0,0|1,0,0]=3 21387 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [0,1,0,1,0,0|1,0,0]=3 21388 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [0,1,0,1,0,0|1,0,0]=3 21389 B12R1.315 CCOC(=O)CCNC1COC1 2230a_100016991112_100011206558 [0,1,0,1,0,0|2,0,0]=4 21390 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [0,1,0,1,0,0|1,0,0]=3 21391 B12R1.315 CCOC(=O)CCOC1CSC1 7a_100000072292_100011206558 [0,1,0,1,0,0|2,0,0]=4 21392 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [0,1,0,1,0,0|1,0,0]=3 21393 B12R1.315 CCOC(=O)CCSC1COC1 62a_100000765890_100009818527 [0,1,0,1,0,0|2,0,0]=4 21394 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [0,1,0,1,0,0|1,0,0]=3 21395 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [0,1,0,1,0,0|1,0,0]=3 21396 B12R1.315 CCOC(=O)CNCC1COC1 2230a_100015281925_100000188475 [0,1,0,1,0,0|2,0,0]=4 21397 B12R1.315 CCOC(=O)CNCC1COC1 34a_100015281925_100000188475 [0,1,0,1,0,0|2,0,0]=4 21398 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000188475 [0,1,0,1,0,0|2,0,0]=4 21399 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000188475 [0,1,0,1,0,0|2,0,0]=4 21400 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [0,1,0,1,0,0|1,0,0]=3 21401 B12R1.315 CCOC(=O)COCC1CCO1 34a_100000039022_100000188475 [0,1,0,1,0,0|2,0,0]=4 21402 B12R1.315 CCOC(=O)COCC1CNC1 34a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 21403 B12R1.315 CCOC(=O)COCC1COC1 34a_100000060846_100000188475 [0,1,0,1,0,0|2,0,0]=4 21404 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [0,1,0,1,0,0|1,0,0]=3 21405 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [0,1,0,1,0,0|1,0,0]=3 21406 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000103362_100000188475 [0,1,0,1,0,0|2,0,0]=4 21407 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000188475_100000103362 [0,1,0,1,0,0|2,0,0]=4 21408 B12R1.315 CCOC(=O)CSCC1COC1 62a_100000188475_100010264016 [0,1,0,1,0,0|2,0,0]=4 21409 B12R1.315 CCOC(=O)CSCC1COC1 62a_100010264016_100000188475 [0,1,0,1,0,0|2,0,0]=4 21410 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [0,1,0,1,0,0|2,0,0]=4 21411 B12R1.315 COCC(=O)NCCN1CCC1 240690a_100000691440_100000210968 [0,1,0,1,0,0|2,0,0]=4 21412 B12R1.315 COCC(=O)NNCC1CCC1 22a_200020586977_100000210968 [0,1,0,1,0,0|2,0,0]=4 21413 B12R1.315 CSCC(=O)NCCN1CCC1 240690a_100000691440_100000184570 [0,1,0,1,0,0|2,0,0]=4 21414 B12R1.315 CSCC(=O)NNCC1CCC1 22a_200020586977_100000184570 [0,1,0,1,0,0|2,0,0]=4 21415 B12R1.315 O=C(CCO)NCCN1CCC1 240690a_100000691440_100011216618 [0,1,0,1,0,0|2,0,0]=4 21416 B12R1.315 O=C(CCO)NNCC1CCC1 22a_200020586977_100011216618 [0,1,0,1,0,0|2,0,0]=4 21417 B12R1.315 O=C(CNCC1CCC1)NCO 2230a_100000738700_100000185155 [0,1,0,1,0,0|2,0,0]=4 21418 B12R1.315 O=C(CNCC1CCC1)NCO 34a_100000738700_100000185155 [0,1,0,1,0,0|2,0,0]=4 21419 B12R1.315 O=C(COCC1CCC1)NCO 34a_100000760304_100000185155 [0,1,0,1,0,0|2,0,0]=4 21420 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000185155_100000763275 [0,1,0,1,0,0|2,0,0]=4 21421 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000763275_100000185155 [0,1,0,1,0,0|2,0,0]=4 21422 B12R1.316 C#CCC(=O)C1CCCN1CC 1458a_106256033941_100000184674 [0,1,0,1,0,0|1,0,1]=4 21423 B12R1.316 C#CCC(=O)N1CCCC1CC 1626a_100000754278_100011220946 [0,1,0,1,0,0|1,0,1]=4 21424 B12R1.316 C#CCC(=O)N1CCCC1CC 527a_100000754278_100011220946 [0,1,0,1,0,0|1,0,1]=4 21425 B12R1.316 C=CCC(=O)C1CCCN1CC 1458a_106256033941_100000210623 [0,1,0,1,0,0|1,0,1]=4 21426 B12R1.316 C=CCC(=O)N1CCCC1CC 11a_100000754278_100000210193 [0,1,0,1,0,0|1,0,1]=4 21427 B12R1.316 C=CCC(=O)N1CCCC1CC 1626a_100000754278_100000210193 [0,1,0,1,0,0|1,0,1]=4 21428 B12R1.316 C=CCC(=O)N1CCCC1CC 240690a_100000754278_100000210193 [0,1,0,1,0,0|1,0,1]=4 21429 B12R1.316 C=CCC(=O)N1CCCC1CC 527a_100000754278_100000210193 [0,1,0,1,0,0|1,0,1]=4 21430 B12R1.316 CC=CC(=O)N1CCCC1CC 11a_100000754278_100000210699 [0,1,0,1,0,0|1,0,1]=4 21431 B12R1.316 CC=CC(=O)N1CCCC1CC 1626a_100000754278_100000210699 [0,1,0,1,0,0|1,0,1]=4 21432 B12R1.316 CC=CC(=O)N1CCCC1CC 240690a_100000754278_100000210699 [0,1,0,1,0,0|1,0,1]=4 21433 B12R1.316 CCC1CCCC1N(C)CCO 270004a_100000210263_100000749056 [0,1,0,1,0,0|2,0,0]=4 21434 B12R1.316 CCC1CCCN1C(=O)CC#N 1626a_100000754278_100051588842 [0,1,0,1,0,0|1,0,1]=4 21435 B12R1.316 CCC1CCCN1C(=O)CC#N 240690a_100000754278_100051588842 [0,1,0,1,0,0|1,0,1]=4 21436 B12R1.316 CCC1CCCN1C(=O)CCO 240690a_100000754278_100011216618 [0,1,0,1,0,0|1,0,0]=3 21437 B12R1.316 CCC1CCCN1C(=O)COC 11a_100000754278_100000210968 [0,1,0,1,0,0|1,0,0]=3 21438 B12R1.316 CCC1CCCN1C(=O)COC 1626a_100000754278_100000210968 [0,1,0,1,0,0|1,0,0]=3 21439 B12R1.316 CCC1CCCN1C(=O)COC 240690a_100000754278_100000210968 [0,1,0,1,0,0|1,0,0]=3 21440 B12R1.316 CCC1CCCN1C(=O)COC 527a_100000754278_100000210968 [0,1,0,1,0,0|1,0,0]=3 21441 B12R1.316 CCC1CCCN1C(=O)CSC 11a_100000754278_100000184570 [0,1,0,1,0,0|1,0,0]=3 21442 B12R1.316 CCC1CCCN1C(=O)CSC 1626a_100000754278_100000184570 [0,1,0,1,0,0|1,0,0]=3 21443 B12R1.316 CCC1CCCN1C(=O)CSC 240690a_100000754278_100000184570 [0,1,0,1,0,0|1,0,0]=3 21444 B12R1.316 CCC1CCCN1C(=O)CSC 527a_100000754278_100000184570 [0,1,0,1,0,0|1,0,0]=3 21445 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [0,1,0,1,0,0|1,0,0]=3 21446 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 21447 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 21448 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 21449 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 21450 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000211992 [0,1,0,1,0,0|2,0,0]=4 21451 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000211992 [0,1,0,1,0,0|2,0,0]=4 21452 B12R1.316 CCCN(C)C1CCCC1CC 270004a_100000747261_100000749056 [0,1,0,1,0,0|2,0,0]=4 21453 B12R1.316 CCN1CCCC1C(=O)CC#N 1458a_106256033941_100011214920 [0,1,0,1,0,0|1,0,1]=4 21454 B12R1.316 CCN1CCCC1C(=O)CCF 1458a_106256033941_100011217306 [0,1,0,1,0,0|1,0,0]=3 21455 B12R1.316 CCN1CCCC1C(=O)CCO 1458a_106256033941_100000211926 [0,1,0,1,0,0|1,0,0]=3 21456 B12R1.316 CCN1CCCC1C(=O)NNC 22a_100016993582_106256033941 [0,1,0,1,0,0|2,0,0]=4 21457 B12R1.316 CCNC(=O)C1CCCN1CC 240690a_100015525214_106256033941 [0,1,0,1,0,0|1,0,0]=3 21458 B12R1.316 CCNC(=O)C1CCCN1CC 527a_100015525214_106256033941 [0,1,0,1,0,0|1,0,0]=3 21459 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [0,1,0,1,0,0|1,0,0]=3 21460 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [0,1,0,1,0,0|1,0,0]=3 21461 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 2708a_100015525214_100000745186 [0,1,0,1,0,0|2,0,0]=4 21462 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 273464a_100015525214_100000745186 [0,1,0,1,0,0|2,0,0]=4 21463 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 2230a_100020641767_100000210202 [0,1,0,1,0,0|1,0,0]=3 21464 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 269982a_100020641767_100000204670 [0,1,0,1,0,0|1,0,0]=3 21465 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 34a_100020641767_100000210202 [0,1,0,1,0,0|1,0,0]=3 21466 B12R1.316 CCNC(=O)[C@@H]1CCCN1CF 269982a_100020641767_100015361967 [0,1,0,1,0,0|2,0,0]=4 21467 B12R1.316 CCNC(=O)[C@@H]1CCCN1CF 34a_100020641767_100015361967 [0,1,0,1,0,0|2,0,0]=4 21468 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [0,1,0,1,0,0|1,0,0]=3 21469 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [0,1,0,1,0,0|1,0,0]=3 21470 B12R1.316 CCOC(=O)[C@@H]1CCCN1CF 269982a_100000703725_100015361967 [0,1,0,1,0,0|2,0,0]=4 21471 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [0,1,0,1,0,0|1,0,0]=3 21472 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [0,1,0,1,0,0|1,0,0]=3 21473 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC 269982a_100016989239_100000204670 [0,1,0,1,0,0|2,0,0]=4 21474 B12R1.316 COCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210968 [0,1,0,1,0,0|2,0,0]=4 21475 B12R1.316 COCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210968 [0,1,0,1,0,0|2,0,0]=4 21476 B12R1.316 CSCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000184570 [0,1,0,1,0,0|2,0,0]=4 21477 B12R1.316 CSCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000184570 [0,1,0,1,0,0|2,0,0]=4 21478 B12R1.316 O=C(CCO)N1CCC[C@@H]1CO 240690a_100000745186_100011216618 [0,1,0,1,0,0|2,0,0]=4 21479 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [0,1,0,1,0,0|1,0,0]=3 21480 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [0,1,0,1,0,0|1,0,0]=3 21481 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [0,1,0,1,0,0|1,0,0]=3 21482 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [0,1,0,1,0,0|1,0,0]=3 21483 B12R1.318 CCCC(=O)CN1CCSC1C 2230a_200011216479_100000747444 [0,1,0,1,0,0|2,0,0]=4 21484 B12R1.318 CCCC(=O)CN1CCSC1C 269982a_200011216479_100000747444 [0,1,0,1,0,0|2,0,0]=4 21485 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000211992 [0,1,0,1,0,0|2,0,0]=4 21486 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000211992 [0,1,0,1,0,0|2,0,0]=4 21487 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [0,1,0,1,0,0|1,0,0]=3 21488 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [0,1,0,1,0,0|1,0,0]=3 21489 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [0,1,0,1,0,0|1,0,0]=3 21490 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [0,1,0,1,0,0|1,0,0]=3 21491 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [0,1,0,1,0,0|1,0,0]=3 21492 B12R1.318 CCNC(=O)CN1CCSC1C 2230a_200011216479_100000183381 [0,1,0,1,0,0|2,0,0]=4 21493 B12R1.318 CCNC(=O)CN1CCSC1C 269982a_200011216479_100000183381 [0,1,0,1,0,0|2,0,0]=4 21494 B12R1.318 CCNC(=O)CN1CCSC1C 34a_200011216479_100000183381 [0,1,0,1,0,0|2,0,0]=4 21495 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100015525214_100000748460 [0,1,0,1,0,0|2,0,0]=4 21496 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100015525214 [0,1,0,1,0,0|2,0,0]=4 21497 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100015525214_100000748460 [0,1,0,1,0,0|2,0,0]=4 21498 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,1,0,1,0,0|1,0,0]=3 21499 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,1,0,1,0,0|1,0,0]=3 21500 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,1,0,1,0,0|1,0,0]=3 21501 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,1,0,1,0,0|1,0,0]=3 21502 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,1,0,1,0,0|1,0,0]=3 21503 B12R1.318 CCOC(=O)CN1CCSC1C 2230a_200011216479_100000188475 [0,1,0,1,0,0|2,0,0]=4 21504 B12R1.318 CCOC(=O)CN1CCSC1C 269982a_200011216479_100000188475 [0,1,0,1,0,0|2,0,0]=4 21505 B12R1.318 CCOC(=O)CN1CCSC1C 34a_200011216479_100000188475 [0,1,0,1,0,0|2,0,0]=4 21506 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210968 [0,1,0,1,0,0|2,0,0]=4 21507 B12R1.318 COCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210968 [0,1,0,1,0,0|2,0,0]=4 21508 B12R1.318 CSCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000184570 [0,1,0,1,0,0|2,0,0]=4 21509 B12R1.318 CSCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000184570 [0,1,0,1,0,0|2,0,0]=4 21510 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 2230a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 21511 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 269982a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 21512 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 34a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 21513 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 2230a_100020605311_100000185155 [0,1,0,1,0,0|2,0,0]=4 21514 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 269982a_100020605311_100000185155 [0,1,0,1,0,0|2,0,0]=4 21515 B12R1.318 O=C(CCO)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100011216618 [0,1,0,1,0,0|2,0,0]=4 21516 B12R1.348 CCCCN1CCCC(CC1)C 2230a_100025706717_100000210211 [0,1,0,1,0,0|1,0,1]=4 21517 B12R1.348 CCCCN1CCCC(CC1)C 269982a_100025706717_100000210211 [0,1,0,1,0,0|1,0,1]=4 21518 B12R1.348 CCCCN1CCCC(CC1)C 34a_100025706717_100000210210 [0,1,0,1,0,0|1,0,1]=4 21519 B12R1.348 CCCCN1CCCC(CC1)O 2230a_100015186869_100000210211 [0,1,0,1,0,0|0,0,2]=4 21520 B12R1.348 CCCCN1CCCC(CC1)O 269982a_100015186869_100000210211 [0,1,0,1,0,0|0,0,2]=4 21521 B12R1.348 CCCCN1CCCN(CC1)C 2230a_100000211313_100000210211 [0,1,0,1,0,0|2,0,0]=4 21522 B12R1.348 CCCCN1CCCN(CC1)C 2230a_200011194251_200000210301 [0,1,0,1,0,0|2,0,0]=4 21523 B12R1.348 CCCCN1CCCN(CC1)C 269982a_100000211313_100000210211 [0,1,0,1,0,0|2,0,0]=4 21524 B12R1.348 CCCCN1CCCN(CC1)C 269982a_200011194251_200000210301 [0,1,0,1,0,0|2,0,0]=4 21525 B12R1.348 CCCCN1CCCN(CC1)[13CH3] 2230a_200011194251_200025704644 [0,1,0,1,0,0|2,0,0]=4 21526 B12R1.348 CCCCN1CCCN(CC1)[13CH3] 269982a_200011194251_200025704644 [0,1,0,1,0,0|2,0,0]=4 21527 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,1,0,1,0,0|1,0,0]=3 21528 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,1,0,1,0,0|1,0,0]=3 21529 B12R1.348 CCOCN1CCNC(=O)CC1 269982a_100000698595_100000739092 [0,1,0,1,0,0|2,0,0]=4 21530 B12R1.348 COCCN1CCNC(=O)CC1 2230a_100000698595_100011201679 [0,1,0,1,0,0|2,0,0]=4 21531 B12R1.348 COCCN1CCNC(=O)CC1 269982a_100000698595_100000233755 [0,1,0,1,0,0|2,0,0]=4 21532 B12R1.348 CSCCN1CCNC(=O)CC1 2230a_100000698595_100000751147 [0,1,0,1,0,0|2,0,0]=4 21533 B12R1.348 CSCCN1CCNC(=O)CC1 269982a_100000698595_100000212216 [0,1,0,1,0,0|2,0,0]=4 21534 B12R1.348 O=C1CCN(CCN1)CCCF 2230a_100000698595_100011934791 [0,1,0,1,0,0|2,0,0]=4 21535 B12R1.348 O=C1CCN(CCN1)CCCF 269982a_100000698595_100011934791 [0,1,0,1,0,0|2,0,0]=4 21536 B12R1.348 O=C1CCN(CCN1)CCCO 2230a_100000698595_100000230001 [0,1,0,1,0,0|2,0,0]=4 21537 B12R1.348 O=C1CCN(CCN1)CCCO 269982a_100000698595_100011215043 [0,1,0,1,0,0|2,0,0]=4 21538 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,1,0,1,0,0|1,0,0]=3 21539 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,1,0,1,0,0|1,0,0]=3 21540 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,1,0,1,0,0|1,0,0]=3 21541 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,1,0,1,0,0|1,0,0]=3 21542 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,1,0,1,0,0|2,0,0]=4 21543 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,1,0,1,0,0|2,0,0]=4 21544 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,1,0,1,0,0|1,0,0]=3 21545 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,1,0,1,0,0|1,0,0]=3 21546 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,1,0,1,0,0|1,0,0]=3 21547 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,1,0,1,0,0|1,0,0]=3 21548 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,1,0,1,0,0|1,0,0]=3 21549 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,1,0,1,0,0|1,0,0]=3 21550 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,1,0,1,0,0|1,0,0]=3 21551 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,1,0,1,0,0|1,0,0]=3 21552 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,1,0,1,0,0|1,0,0]=3 21553 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,1,0,1,0,0|1,0,0]=3 21554 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [0,1,0,1,0,0|1,0,1]=4 21555 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,1,0,1,0,0|1,0,0]=3 21556 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [0,1,0,1,0,0|2,0,0]=4 21557 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [0,1,0,1,0,0|2,0,0]=4 21558 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,1,0,1,0,0|2,0,0]=4 21559 B12R1.372 CCCNCCN1CCNC1=O 2230a_100011207550_100000210303 [0,1,0,1,0,0|2,0,0]=4 21560 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,1,0,1,0,0|2,0,0]=4 21561 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,1,0,1,0,0|2,0,0]=4 21562 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,1,0,1,0,0|2,0,0]=4 21563 B12R1.372 CCCOCCN1CCNC1=O 34a_100000216532_100000210303 [0,1,0,1,0,0|2,0,0]=4 21564 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,1,0,1,0,0|2,0,0]=4 21565 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,1,0,1,0,0|2,0,0]=4 21566 B12R1.372 CCCSCCN1CCNC1=O 62a_100000090651_100000210303 [0,1,0,1,0,0|2,0,0]=4 21567 B12R1.372 CCCSCCN1CCNC1=O 62a_100000210303_100000090651 [0,1,0,1,0,0|2,0,0]=4 21568 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,1,0,1,0,0|2,0,0]=4 21569 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,1,0,1,0,0|2,0,0]=4 21570 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,1,0,1,0,0|2,0,0]=4 21571 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,1,0,1,0,0|2,0,0]=4 21572 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [0,1,0,1,0,0|2,0,0]=4 21573 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [0,1,0,1,0,0|2,0,0]=4 21574 B12R1.372 CCOCCNC1CCNC1=O 2230a_100016995588_100011215890 [0,1,0,1,0,0|2,0,0]=4 21575 B12R1.372 CCOCCNC1CCNC1=O 34a_100016995588_100000210147 [0,1,0,1,0,0|2,0,0]=4 21576 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,1,0,1,0,0|2,0,0]=4 21577 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,1,0,1,0,0|2,0,0]=4 21578 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,1,0,1,0,0|2,0,0]=4 21579 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,1,0,1,0,0|2,0,0]=4 21580 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,1,0,1,0,0|2,0,0]=4 21581 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,1,0,1,0,0|2,0,0]=4 21582 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,1,0,1,0,0|2,0,0]=4 21583 B12R1.372 CCOCCO[C@H]1CCNC1=O 34a_100000688343_100000210147 [0,1,0,1,0,0|2,0,0]=4 21584 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [0,1,0,1,0,0|2,0,0]=4 21585 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [0,1,0,1,0,0|2,0,0]=4 21586 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,1,0,1,0,0|2,0,0]=4 21587 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,1,0,1,0,0|2,0,0]=4 21588 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [0,1,0,1,0,0|2,0,0]=4 21589 B12R1.372 CCSCCNC1CCNC1=O 2230a_100016995588_100000757381 [0,1,0,1,0,0|2,0,0]=4 21590 B12R1.372 CCSCCNC1CCNC1=O 34a_100016995588_100000757381 [0,1,0,1,0,0|2,0,0]=4 21591 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,1,0,1,0,0|2,0,0]=4 21592 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,1,0,1,0,0|2,0,0]=4 21593 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,1,0,1,0,0|2,0,0]=4 21594 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,1,0,1,0,0|2,0,0]=4 21595 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,1,0,1,0,0|2,0,0]=4 21596 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,1,0,1,0,0|2,0,0]=4 21597 B12R1.372 CCSCCO[C@H]1CCNC1=O 34a_100000688343_100000757381 [0,1,0,1,0,0|2,0,0]=4 21598 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [0,1,0,1,0,0|2,0,0]=4 21599 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [0,1,0,1,0,0|2,0,0]=4 21600 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,1,0,1,0,0|2,0,0]=4 21601 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,1,0,1,0,0|2,0,0]=4 21602 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,1,0,1,0,0|2,0,0]=4 21603 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 21604 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,1,0,1,0,0|2,0,0]=4 21605 B12R1.372 COCCCNC1CCNC1=O 2230a_100016995588_100000740836 [0,1,0,1,0,0|2,0,0]=4 21606 B12R1.372 COCCCNC1CCNC1=O 34a_100016995588_100000740836 [0,1,0,1,0,0|2,0,0]=4 21607 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [0,1,0,1,0,0|2,0,0]=4 21608 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,1,0,1,0,0|2,0,0]=4 21609 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,1,0,1,0,0|2,0,0]=4 21610 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,1,0,1,0,0|2,0,0]=4 21611 B12R1.372 COCCCO[C@H]1CCNC1=O 34a_100000688343_100000740836 [0,1,0,1,0,0|2,0,0]=4 21612 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,1,0,1,0,0|2,0,0]=4 21613 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,1,0,1,0,0|2,0,0]=4 21614 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [0,1,0,1,0,0|2,0,0]=4 21615 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [0,1,0,1,0,0|2,0,0]=4 21616 B12R1.372 COCCOCC1CCNC1=O 34a_100000133458_100011201679 [0,1,0,1,0,0|2,0,0]=4 21617 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,1,0,1,0,0|2,0,0]=4 21618 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [0,1,0,1,0,0|2,0,0]=4 21619 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,1,0,1,0,0|2,0,0]=4 21620 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,1,0,1,0,0|2,0,0]=4 21621 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,1,0,1,0,0|2,0,0]=4 21622 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,1,0,1,0,0|2,0,0]=4 21623 B12R1.372 CSCCOCC1CCNC1=O 34a_100000133458_100000212216 [0,1,0,1,0,0|2,0,0]=4 21624 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,1,0,1,0,0|2,0,0]=4 21625 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 21626 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,1,0,1,0,0|2,0,0]=4 21627 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,1,0,1,0,0|2,0,0]=4 21628 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,1,0,1,0,0|2,0,0]=4 21629 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,1,0,1,0,0|2,0,0]=4 21630 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,1,0,1,0,0|2,0,0]=4 21631 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,1,0,1,0,0|2,0,0]=4 21632 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,1,0,1,0,0|2,0,0]=4 21633 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,1,0,1,0,0|2,0,0]=4 21634 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,1,0,1,0,0|2,0,0]=4 21635 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,1,0,1,0,0|2,0,0]=4 21636 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [0,1,0,1,0,0|2,0,0]=4 21637 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [0,1,0,1,0,0|2,0,0]=4 21638 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [0,1,0,1,0,0|2,0,0]=4 21639 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [0,1,0,1,0,0|2,0,0]=4 21640 B12R1.372 O=C1NCCC1COCCCF 34a_100000133458_100011934791 [0,1,0,1,0,0|2,0,0]=4 21641 B12R1.372 O=C1NCCC1COCCCO 34a_100000133458_100000230001 [0,1,0,1,0,0|2,0,0]=4 21642 B12R1.372 O=C1NCCC1NCCCCF 2230a_100016995588_100000729493 [0,1,0,1,0,0|2,0,0]=4 21643 B12R1.372 O=C1NCCC1NCCCCF 34a_100016995588_100000729493 [0,1,0,1,0,0|2,0,0]=4 21644 B12R1.372 O=C1NCCC1NCCCCO 2230a_100016995588_100000210776 [0,1,0,1,0,0|2,0,0]=4 21645 B12R1.372 O=C1NCCC1NCCCCO 34a_100016995588_100011216708 [0,1,0,1,0,0|2,0,0]=4 21646 B12R1.372 O=C1NCC[C@@H]1OCCCCF 34a_100000688343_100000729493 [0,1,0,1,0,0|2,0,0]=4 21647 B12R1.372 O=C1NCC[C@@H]1OCCCCO 34a_100000688343_100011216708 [0,1,0,1,0,0|2,0,0]=4 21648 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 21649 B12R1.372 O=C1OCCC1NCCCCO 34a_100000750430_100000211211 [0,1,0,1,0,0|2,0,0]=4 21650 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [0,1,0,1,0,0|2,0,0]=4 21651 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [0,1,0,1,0,0|2,0,0]=4 21652 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [0,1,0,1,0,0|2,0,0]=4 21653 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [0,1,0,1,0,0|2,0,0]=4 21654 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [0,1,0,1,0,0|2,0,0]=4 21655 B12R1.372 O=C1OCCC1OCCCCI 34a_200012148704_100000211211 [0,1,0,1,0,0|2,0,0]=4 21656 B12R1.372 O=C1OCCC1SCCCCF 62a_100000211211_100000729493 [0,1,0,1,0,0|2,0,0]=4 21657 B12R1.372 O=C1OCCC1SCCCCF 62a_100000729493_100000211211 [0,1,0,1,0,0|2,0,0]=4 21658 B12R1.372 O=C1OCCC1SCCCCO 62a_100000210776_100000211211 [0,1,0,1,0,0|2,0,0]=4 21659 B12R1.372 O=C1OCCC1SCCCCO 62a_100000211211_100000210776 [0,1,0,1,0,0|2,0,0]=4 21660 B12R1.535 CCCC(=O)N1CCC1COC 11a_100015195929_100000211992 [0,1,0,1,0,0|2,0,0]=4 21661 B12R1.535 CCCC(=O)N1CCC1COC 1626a_100015195929_100000211992 [0,1,0,1,0,0|2,0,0]=4 21662 B12R1.535 CCCC(=O)N1CCC1COC 240690a_100015195929_100000211992 [0,1,0,1,0,0|2,0,0]=4 21663 B12R1.535 CCCC(=O)N1CCC1COC 527a_100015195929_100000211992 [0,1,0,1,0,0|2,0,0]=4 21664 B12R1.535 CCNC(=O)N1CCC1COC 2708a_100015525214_100015195929 [0,1,0,1,0,0|2,0,0]=4 21665 B12R1.535 CCNC(=O)N1CCC1COC 273464a_100015525214_100015195929 [0,1,0,1,0,0|2,0,0]=4 21666 B12R1.535 COCC(=O)N1CCC1COC 11a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 21667 B12R1.535 COCC(=O)N1CCC1COC 1626a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 21668 B12R1.535 COCC(=O)N1CCC1COC 240690a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 21669 B12R1.535 COCC(=O)N1CCC1COC 527a_100015195929_100000210968 [0,1,0,1,0,0|2,0,0]=4 21670 B12R1.535 COCC1CCN1C(=O)CCO 240690a_100015195929_100011216618 [0,1,0,1,0,0|2,0,0]=4 21671 B12R1.535 COCC1CCN1C(=O)CSC 11a_100015195929_100000184570 [0,1,0,1,0,0|2,0,0]=4 21672 B12R1.535 COCC1CCN1C(=O)CSC 1626a_100015195929_100000184570 [0,1,0,1,0,0|2,0,0]=4 21673 B12R1.535 COCC1CCN1C(=O)CSC 240690a_100015195929_100000184570 [0,1,0,1,0,0|2,0,0]=4 21674 B12R1.535 COCC1CCN1C(=O)CSC 527a_100015195929_100000184570 [0,1,0,1,0,0|2,0,0]=4 21675 B12R1.542 CCCN1CCNC(=O)C1CC 2230a_100000187962_100000210303 [0,1,0,1,0,0|2,0,0]=4 21676 B12R1.542 CCCN1CCNC(=O)C1CC 269982a_100000187962_100000210303 [0,1,0,1,0,0|2,0,0]=4 21677 B12R1.542 CCCN1CCNC(=O)C1CC 34a_100000187962_100000210303 [0,1,0,1,0,0|2,0,0]=4 21678 B12R1.923 C#CCCCCCC(=O)C1CC1 1458a_100000210395_100012094781 [0,1,0,1,0,0|0,0,2]=4 21679 B12R1.923 C#CCCCCCC(=O)C1CO1 1458a_100000701028_100012094781 [0,1,0,1,0,0|0,0,2]=4 21680 B12R1.923 C=CCCCCCC(=O)C1CC1 1458a_100000210395_100000700193 [0,1,0,1,0,0|0,0,2]=4 21681 B12R1.923 C=CCCCCCC(=O)C1CO1 1458a_100000701028_100000700193 [0,1,0,1,0,0|0,0,2]=4 21682 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,1,0,1,0,0|0,0,0]=2 21683 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,1,0,1,0,0|0,0,0]=2 21684 B12R1.923 CCCCCCCN(C)C1CC1 2230a_100000226674_100000210681 [0,1,0,1,0,0|2,0,0]=4 21685 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000226674_100000210681 [0,1,0,1,0,0|2,0,0]=4 21686 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000228206_100000211595 [0,1,0,1,0,0|2,0,0]=4 21687 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 21688 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 21689 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 21690 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 21691 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,1,0,1,0,0|1,0,0]=3 21692 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,1,0,1,0,0|1,0,0]=3 21693 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,1,0,1,0,0|1,0,0]=3 21694 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,1,0,1,0,0|1,0,0]=3 21695 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [0,1,0,1,0,0|1,0,0]=3 21696 B12R1.923 CCCCCNNC(=O)C1CC1 22a_100000694160_100000210395 [0,1,0,1,0,0|2,0,0]=4 21697 B12R1.923 CCCCCNNC(=O)C1CO1 22a_100000694160_100000701028 [0,1,0,1,0,0|2,0,0]=4 21698 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [0,1,0,1,0,0|1,0,0]=3 21699 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [0,1,0,1,0,0|1,0,0]=3 21700 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [0,1,0,1,0,0|1,0,0]=3 21701 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [0,1,0,1,0,0|1,0,0]=3 21702 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [0,1,0,1,0,0|1,0,0]=3 21703 B12R1.923 CCCCNCOC(=O)C1CC1 2230a_100000102301_100000140896 [0,1,0,1,0,0|2,0,0]=4 21704 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [0,1,0,1,0,0|1,0,0]=3 21705 B12R1.923 CCCCOCCC(=O)C1CO1 1458a_100000701028_100000743108 [0,1,0,1,0,0|1,0,0]=3 21706 B12R1.923 CCCCOCOC(=O)C1CC1 34a_100000210227_100000140896 [0,1,0,1,0,0|2,0,0]=4 21707 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000140896_100000210210 [0,1,0,1,0,0|2,0,0]=4 21708 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000210211_100000140896 [0,1,0,1,0,0|2,0,0]=4 21709 B12R1.923 CCCOCCNC(=O)C1CC1 1626a_100161115042_100000210395 [0,1,0,1,0,0|2,0,0]=4 21710 B12R1.923 CCCOCCNC(=O)C1CC1 240690a_100161115042_100000210395 [0,1,0,1,0,0|2,0,0]=4 21711 B12R1.923 CCCOCCNC(=O)C1CC1 527a_100161115042_100000210395 [0,1,0,1,0,0|2,0,0]=4 21712 B12R1.923 CCCOCCNC(=O)C1CO1 1626a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 21713 B12R1.923 CCCOCCNC(=O)C1CO1 240690a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 21714 B12R1.923 CCCOCCNC(=O)C1CO1 527a_100161115042_100000701028 [0,1,0,1,0,0|2,0,0]=4 21715 B12R1.923 CCCSCCNC(=O)C1CC1 11a_100020603323_100000210395 [0,1,0,1,0,0|2,0,0]=4 21716 B12R1.923 CCCSCCNC(=O)C1CC1 240690a_100020603323_100000210395 [0,1,0,1,0,0|2,0,0]=4 21717 B12R1.923 CCCSCCNC(=O)C1CC1 527a_100020603323_100000210395 [0,1,0,1,0,0|2,0,0]=4 21718 B12R1.923 CCCSCCNC(=O)C1CO1 11a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 21719 B12R1.923 CCCSCCNC(=O)C1CO1 240690a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 21720 B12R1.923 CCCSCCNC(=O)C1CO1 527a_100020603323_100000701028 [0,1,0,1,0,0|2,0,0]=4 21721 B12R1.923 CCOCCCNC(=O)C1CC1 11a_100000210961_100000210395 [0,1,0,1,0,0|2,0,0]=4 21722 B12R1.923 CCOCCCNC(=O)C1CC1 1626a_100000210961_100000210395 [0,1,0,1,0,0|2,0,0]=4 21723 B12R1.923 CCOCCCNC(=O)C1CC1 240690a_100000210961_100000210395 [0,1,0,1,0,0|2,0,0]=4 21724 B12R1.923 CCOCCCNC(=O)C1CC1 527a_100000210961_100000210395 [0,1,0,1,0,0|2,0,0]=4 21725 B12R1.923 CCOCCCNC(=O)C1CO1 11a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 21726 B12R1.923 CCOCCCNC(=O)C1CO1 1626a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 21727 B12R1.923 CCOCCCNC(=O)C1CO1 240690a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 21728 B12R1.923 CCOCCCNC(=O)C1CO1 527a_100000210961_100000701028 [0,1,0,1,0,0|2,0,0]=4 21729 B12R1.923 CCOCCNCC(=O)C1CC1 2230a_102516460346_100000746382 [0,1,0,1,0,0|2,0,0]=4 21730 B12R1.923 CCOCCNCC(=O)C1CC1 34a_102516460346_100000746382 [0,1,0,1,0,0|2,0,0]=4 21731 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000210136_100000746382 [0,1,0,1,0,0|2,0,0]=4 21732 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000686663_100000210147 [0,1,0,1,0,0|2,0,0]=4 21733 B12R1.923 CCOCCOCC(=O)C1CC1 7a_100000210136_100000746382 [0,1,0,1,0,0|2,0,0]=4 21734 B12R1.923 CCOCCSCC(=O)C1CC1 62a_100000210147_100000746382 [0,1,0,1,0,0|2,0,0]=4 21735 B12R1.923 CCOCCSCC(=O)C1CC1 62a_100000746382_100011215890 [0,1,0,1,0,0|2,0,0]=4 21736 B12R1.923 CCSCCNCC(=O)C1CC1 2230a_100000106463_100000746382 [0,1,0,1,0,0|2,0,0]=4 21737 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000212035_100000746382 [0,1,0,1,0,0|2,0,0]=4 21738 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000686663_100000757381 [0,1,0,1,0,0|2,0,0]=4 21739 B12R1.923 CCSCCOCC(=O)C1CC1 7a_100000212035_100000746382 [0,1,0,1,0,0|2,0,0]=4 21740 B12R1.923 CCSCCSCC(=O)C1CC1 62a_100000746382_100000757381 [0,1,0,1,0,0|2,0,0]=4 21741 B12R1.923 CCSCCSCC(=O)C1CC1 62a_100000757381_100000746382 [0,1,0,1,0,0|2,0,0]=4 21742 B12R1.923 CNCCCOCC(=O)C1CC1 34a_100000213112_100000746382 [0,1,0,1,0,0|2,0,0]=4 21743 B12R1.923 COCCCNCC(=O)C1CC1 34a_100150723488_100000746382 [0,1,0,1,0,0|2,0,0]=4 21744 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000686663_100000740836 [0,1,0,1,0,0|2,0,0]=4 21745 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000740835_100000746382 [0,1,0,1,0,0|2,0,0]=4 21746 B12R1.923 COCCCSCC(=O)C1CC1 62a_100000709357_100000746382 [0,1,0,1,0,0|2,0,0]=4 21747 B12R1.923 COCCCSCC(=O)C1CC1 62a_100000746382_100000709357 [0,1,0,1,0,0|2,0,0]=4 21748 B12R1.923 COCCOCCC(=O)C1CC1 1458a_100000210395_100000695917 [0,1,0,1,0,0|2,0,0]=4 21749 B12R1.923 COCCOCCC(=O)C1CO1 1458a_100000701028_100000695917 [0,1,0,1,0,0|2,0,0]=4 21750 B12R1.923 CSCCCNCC(=O)C1CC1 2230a_100000749238_100000746382 [0,1,0,1,0,0|2,0,0]=4 21751 B12R1.923 CSCCCOCC(=O)C1CC1 34a_100000690336_100000746382 [0,1,0,1,0,0|2,0,0]=4 21752 B12R1.923 CSCCCOCC(=O)C1CC1 7a_100000690336_100000746382 [0,1,0,1,0,0|2,0,0]=4 21753 B12R1.923 N#CCCCCCC(=O)C1CC1 1458a_100000210395_100009813376 [0,1,0,1,0,0|1,0,1]=4 21754 B12R1.923 N#CCCCCCC(=O)C1CO1 1458a_100000701028_100009813376 [0,1,0,1,0,0|1,0,1]=4 21755 B12R1.923 NCCCCOCC(=O)C1CC1 34a_100000750430_100000746382 [0,1,0,1,0,0|2,0,0]=4 21756 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [0,1,0,1,0,0|1,0,0]=3 21757 B12R1.923 O=C(CCCCCCF)C1CO1 1458a_100000701028_100015922095 [0,1,0,1,0,0|1,0,0]=3 21758 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [0,1,0,1,0,0|1,0,0]=3 21759 B12R1.923 O=C(CCCCCCO)C1CO1 1458a_100000701028_100000766143 [0,1,0,1,0,0|1,0,0]=3 21760 B12R1.923 O=C(CNCCCCO)C1CC1 2230a_100000750430_100000746382 [0,1,0,1,0,0|2,0,0]=4 21761 B12R1.923 O=C(CNCCCCO)C1CC1 34a_100000750430_100000746382 [0,1,0,1,0,0|2,0,0]=4 21762 B12R1.923 O=C(COCCCCBr)C1CC1 34a_100011216708_100000746382 [0,1,0,1,0,0|2,0,0]=4 21763 B12R1.923 O=C(COCCCCCl)C1CC1 34a_100000210776_100000746382 [0,1,0,1,0,0|2,0,0]=4 21764 B12R1.923 O=C(COCCCCCl)C1CC1 7a_100000210776_100000746382 [0,1,0,1,0,0|2,0,0]=4 21765 B12R1.923 O=C(COCCCCF)C1CC1 34a_100000686663_100000729493 [0,1,0,1,0,0|2,0,0]=4 21766 B12R1.923 O=C(COCCCCF)C1CC1 34a_100011995726_100000746382 [0,1,0,1,0,0|2,0,0]=4 21767 B12R1.923 O=C(COCCCCF)C1CC1 7a_100011995726_100000746382 [0,1,0,1,0,0|2,0,0]=4 21768 B12R1.923 O=C(COCCCCI)C1CC1 34a_200012148704_100000746382 [0,1,0,1,0,0|2,0,0]=4 21769 B12R1.923 O=C(COCCCCO)C1CC1 34a_100000686663_100011216708 [0,1,0,1,0,0|2,0,0]=4 21770 B12R1.923 O=C(CSCCCCF)C1CC1 62a_100000729493_100000746382 [0,1,0,1,0,0|2,0,0]=4 21771 B12R1.923 O=C(CSCCCCF)C1CC1 62a_100000746382_100000729493 [0,1,0,1,0,0|2,0,0]=4 21772 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000210776_100000746382 [0,1,0,1,0,0|2,0,0]=4 21773 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000746382_100000210776 [0,1,0,1,0,0|2,0,0]=4 21774 B12R1.923 O=C(NCCCCCO)C1CC1 240690a_100000762737_100000210395 [0,1,0,1,0,0|2,0,0]=4 21775 B12R1.923 O=C(NCCCCCO)C1CO1 240690a_100000762737_100000701028 [0,1,0,1,0,0|2,0,0]=4 21776 B12R1.1505 CC1CC1COCC(=O)NCO 34a_100000744939_100000185155 [0,1,0,1,0,0|2,0,0]=4 21777 B12R1.1505 CC1CC1COCC(=O)NCO 7a_100000744939_100000185155 [0,1,0,1,0,0|2,0,0]=4 21778 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,1,0,1,0,0|1,0,0]=3 21779 B12R1.1505 CCNC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000737597 [0,1,0,1,0,0|2,0,0]=4 21780 B12R1.1505 CCNC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000737597 [0,1,0,1,0,0|2,0,0]=4 21781 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,1,0,1,0,0|1,0,0]=3 21782 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,1,0,1,0,0|1,0,0]=3 21783 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011206558 [0,1,0,1,0,0|2,0,0]=4 21784 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100011206558 [0,1,0,1,0,0|2,0,0]=4 21785 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000765890 [0,1,0,1,0,0|2,0,0]=4 21786 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,1,0,1,0,0|1,0,0]=3 21787 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,1,0,1,0,0|1,0,0]=3 21788 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100000749507_100000184674 [0,1,0,1,0,0|0,0,1]=3 21789 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100011220946_100011217769 [0,1,0,1,0,0|0,0,1]=3 21790 B12R1.1564 C#CCC(=O)N1CCCCCC1 1626a_100000185865_100011220946 [0,1,0,1,0,0|1,0,1]=4 21791 B12R1.1564 C#CCC(=O)N1CCCCCC1 527a_100000185865_100011220946 [0,1,0,1,0,0|1,0,1]=4 21792 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000210193_100011217769 [0,1,0,1,0,0|0,0,1]=3 21793 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000749507_100000210623 [0,1,0,1,0,0|0,0,1]=3 21794 B12R1.1564 C=CCC(=O)N1CCCCCC1 11a_100000185865_100000210193 [0,1,0,1,0,0|1,0,1]=4 21795 B12R1.1564 C=CCC(=O)N1CCCCCC1 1626a_100000185865_100000210193 [0,1,0,1,0,0|1,0,1]=4 21796 B12R1.1564 C=CCC(=O)N1CCCCCC1 240690a_100000185865_100000210193 [0,1,0,1,0,0|1,0,1]=4 21797 B12R1.1564 C=CCC(=O)N1CCCCCC1 527a_100000185865_100000210193 [0,1,0,1,0,0|1,0,1]=4 21798 B12R1.1564 CC#CC(=O)C1CCCCCC1 1458a_100000763181_100011217769 [0,1,0,1,0,0|0,0,1]=3 21799 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,1,0,1,0,0|0,0,1]=3 21800 B12R1.1564 CC=CC(=O)N1CCCCCC1 11a_100000185865_100000210699 [0,1,0,1,0,0|1,0,1]=4 21801 B12R1.1564 CC=CC(=O)N1CCCCCC1 1626a_100000185865_100000210699 [0,1,0,1,0,0|1,0,1]=4 21802 B12R1.1564 CC=CC(=O)N1CCCCCC1 240690a_100000185865_100000210699 [0,1,0,1,0,0|1,0,1]=4 21803 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [0,1,0,1,0,0|0,0,2]=4 21804 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,1,0,1,0,0|0,0,0]=2 21805 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,1,0,1,0,0|0,0,0]=2 21806 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 21807 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 21808 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 21809 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 21810 B12R1.1564 CCCC(=O)N1CCCOCC1 11a_100000685342_100000211992 [0,1,0,1,0,0|2,0,0]=4 21811 B12R1.1564 CCCC(=O)N1CCCOCC1 1626a_100000685342_100000211992 [0,1,0,1,0,0|2,0,0]=4 21812 B12R1.1564 CCCC(=O)N1CCCOCC1 240690a_100000685342_100000211992 [0,1,0,1,0,0|2,0,0]=4 21813 B12R1.1564 CCCC(=O)N1CCCOCC1 527a_100000685342_100000211992 [0,1,0,1,0,0|2,0,0]=4 21814 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 21815 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 21816 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100000747261_100011217769 [0,1,0,1,0,0|2,0,0]=4 21817 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 21818 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 21819 B12R1.1564 CCCN(C)C1CCCCCC1 270004a_100000747261_100000210131 [0,1,0,1,0,0|2,0,0]=4 21820 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015185097_100000210303 [0,1,0,1,0,0|2,0,0]=4 21821 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015187045_200000210301 [0,1,0,1,0,0|2,0,0]=4 21822 B12R1.1564 CCCN([13CH3])C1CCCCCC1 2230a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 21823 B12R1.1564 CCCN([13CH3])C1CCCCCC1 269982a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 21824 B12R1.1564 CCCN([13CH3])C1CCCCCC1 34a_100015187045_200025704644 [0,1,0,1,0,0|2,0,0]=4 21825 B12R1.1564 CCNC(=O)C1CCC=CCC1 11a_100015525214_100000048548 [0,1,0,1,0,0|0,0,2]=4 21826 B12R1.1564 CCNC(=O)C1CCC=CCC1 240690a_100015525214_100000048548 [0,1,0,1,0,0|0,0,2]=4 21827 B12R1.1564 CCNC(=O)C1CCC=CCC1 527a_100015525214_100000048548 [0,1,0,1,0,0|0,0,2]=4 21828 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,1,0,1,0,0|0,0,0]=2 21829 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,1,0,1,0,0|0,0,0]=2 21830 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,1,0,1,0,0|0,0,0]=2 21831 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,1,0,1,0,0|1,0,0]=3 21832 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,1,0,1,0,0|1,0,0]=3 21833 B12R1.1564 CCNC(=O)N1CCCOCC1 2708a_100015525214_100000685342 [0,1,0,1,0,0|2,0,0]=4 21834 B12R1.1564 CCNC(=O)N1CCCOCC1 273464a_100015525214_100000685342 [0,1,0,1,0,0|2,0,0]=4 21835 B12R1.1564 CN(CCF)C1CCCCCC1 2230a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 21836 B12R1.1564 CN(CCF)C1CCCCCC1 269982a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 21837 B12R1.1564 CN(CCF)C1CCCCCC1 34a_100015185097_100011217306 [0,1,0,1,0,0|2,0,0]=4 21838 B12R1.1564 CN(CCO)C1CCCCCC1 2230a_100015185097_100000211926 [0,1,0,1,0,0|2,0,0]=4 21839 B12R1.1564 CN(CCO)C1CCCCCC1 269982a_100000210263_100011217769 [0,1,0,1,0,0|2,0,0]=4 21840 B12R1.1564 CN(CCO)C1CCCCCC1 269982a_100015185097_100000211926 [0,1,0,1,0,0|2,0,0]=4 21841 B12R1.1564 CN(CCO)C1CCCCCC1 270004a_100000210263_100000210131 [0,1,0,1,0,0|2,0,0]=4 21842 B12R1.1564 CN(CCO)C1CCCCCC1 34a_100015185097_100000211926 [0,1,0,1,0,0|2,0,0]=4 21843 B12R1.1564 CNCC(=O)N1CCCCCC1 2230a_106832991635_100000182869 [0,1,0,1,0,0|1,0,0]=3 21844 B12R1.1564 CNCC(=O)N1CCCCCC1 34a_100102657272_100000182869 [0,1,0,1,0,0|1,0,0]=3 21845 B12R1.1564 CNCC(=O)N1CCCCCC1 7a_106832991635_100000182869 [0,1,0,1,0,0|1,0,0]=3 21846 B12R1.1564 CNNC(=O)C1CCCCCC1 22a_100016993582_100000749507 [0,1,0,1,0,0|1,0,0]=3 21847 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,1,0,1,0,0|0,0,0]=2 21848 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,1,0,1,0,0|1,0,0]=3 21849 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,1,0,1,0,0|1,0,0]=3 21850 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,1,0,1,0,0|1,0,0]=3 21851 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,1,0,1,0,0|1,0,0]=3 21852 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,1,0,1,0,0|1,0,0]=3 21853 B12R1.1564 COCC(=O)N1CCCOCC1 11a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 21854 B12R1.1564 COCC(=O)N1CCCOCC1 1626a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 21855 B12R1.1564 COCC(=O)N1CCCOCC1 240690a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 21856 B12R1.1564 COCC(=O)N1CCCOCC1 527a_100000685342_100000210968 [0,1,0,1,0,0|2,0,0]=4 21857 B12R1.1564 COCN(C)C1CCCCCC1 2230a_100015185097_100000766300 [0,1,0,1,0,0|2,0,0]=4 21858 B12R1.1564 COCN(C)C1CCCCCC1 269982a_100015185097_100000766300 [0,1,0,1,0,0|2,0,0]=4 21859 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,1,0,1,0,0|0,0,0]=2 21860 B12R1.1564 CSCC(=O)N1CCCCCC1 11a_100000185865_100000184570 [0,1,0,1,0,0|1,0,0]=3 21861 B12R1.1564 CSCC(=O)N1CCCCCC1 1626a_100000185865_100000184570 [0,1,0,1,0,0|1,0,0]=3 21862 B12R1.1564 CSCC(=O)N1CCCCCC1 240690a_100000185865_100000184570 [0,1,0,1,0,0|1,0,0]=3 21863 B12R1.1564 CSCC(=O)N1CCCCCC1 527a_100000185865_100000184570 [0,1,0,1,0,0|1,0,0]=3 21864 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_100000182869_200000210301 [0,1,0,1,0,0|1,0,0]=3 21865 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_200000210301_100000182869 [0,1,0,1,0,0|1,0,0]=3 21866 B12R1.1564 CSCC(=O)N1CCCOCC1 11a_100000685342_100000184570 [0,1,0,1,0,0|2,0,0]=4 21867 B12R1.1564 CSCC(=O)N1CCCOCC1 1626a_100000685342_100000184570 [0,1,0,1,0,0|2,0,0]=4 21868 B12R1.1564 CSCC(=O)N1CCCOCC1 240690a_100000685342_100000184570 [0,1,0,1,0,0|2,0,0]=4 21869 B12R1.1564 CSCC(=O)N1CCCOCC1 527a_100000685342_100000184570 [0,1,0,1,0,0|2,0,0]=4 21870 B12R1.1564 CSCN(C)C1CCCCCC1 2230a_100015185097_100011218213 [0,1,0,1,0,0|2,0,0]=4 21871 B12R1.1564 CSCN(C)C1CCCCCC1 269982a_100015185097_100011218213 [0,1,0,1,0,0|2,0,0]=4 21872 B12R1.1564 CSCN(C)C1CCCCCC1 34a_100015185097_100011218213 [0,1,0,1,0,0|2,0,0]=4 21873 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100000749507_100011214920 [0,1,0,1,0,0|0,0,1]=3 21874 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100051588842_100011217769 [0,1,0,1,0,0|0,0,1]=3 21875 B12R1.1564 N#CCC(=O)N1CCCCCC1 1626a_100000185865_100051588842 [0,1,0,1,0,0|1,0,1]=4 21876 B12R1.1564 N#CCC(=O)N1CCCCCC1 240690a_100000185865_100051588842 [0,1,0,1,0,0|1,0,1]=4 21877 B12R1.1564 O=C(C=CBr)C1CCCCCC1 1458a_100016273825_100011217769 [0,1,0,1,0,0|0,0,2]=4 21878 B12R1.1564 O=C(C=CCl)C1CCCCCC1 1458a_200016279998_100011217769 [0,1,0,1,0,0|0,0,2]=4 21879 B12R1.1564 O=C(C=CI)C1CCCCCC1 1458a_100016256311_100011217769 [0,1,0,1,0,0|0,0,2]=4 21880 B12R1.1564 O=C(CCF)C1CCC=CCC1 1458a_100000048548_100011217306 [0,1,0,1,0,0|0,0,2]=4 21881 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,1,0,1,0,0|0,0,0]=2 21882 B12R1.1564 O=C(CCO)C1CCC=CCC1 1458a_100000048548_100000211926 [0,1,0,1,0,0|0,0,2]=4 21883 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,1,0,1,0,0|0,0,0]=2 21884 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,1,0,1,0,0|0,0,0]=2 21885 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,1,0,1,0,0|1,0,0]=3 21886 B12R1.1564 O=C(CCO)N1CCCOCC1 240690a_100000685342_100011216618 [0,1,0,1,0,0|2,0,0]=4 21887 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_100000182869_200025704644 [0,1,0,1,0,0|1,0,0]=3 21888 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_200025704644_100000182869 [0,1,0,1,0,0|1,0,0]=3 21889 B12R1.1 C#CCCOC1CCC(=O)CC1 34a_100000764474_100000688953 [0,1,0,1,0,0|0,0,2]=4 21890 B12R1.1 C#CCCOC1CCC(=O)CC1 7a_100000764474_100000688953 [0,1,0,1,0,0|0,0,2]=4 21891 B12R1.1 C#CCOCC1CCC(=O)CC1 34a_100000062911_100000184674 [0,1,0,1,0,0|0,0,2]=4 21892 B12R1.1 C/C=C/COC1CCC(=O)CC1 34a_100000764474_100102629194 [0,1,0,1,0,0|0,0,2]=4 21893 B12R1.1 C/C=C/COC1CCC(=O)CC1 7a_100000764474_100102629194 [0,1,0,1,0,0|0,0,2]=4 21894 B12R1.1 C=C1CCC(CC1)COCCC 34a_100000074039_100000210303 [0,1,0,1,0,0|1,0,0]=3 21895 B12R1.1 C=C1CCC(CC1)COCCF 34a_100000074039_100011217306 [0,1,0,1,0,0|2,0,0]=4 21896 B12R1.1 C=C1CCC(CC1)COCCO 34a_100000074039_100000211926 [0,1,0,1,0,0|2,0,0]=4 21897 B12R1.1 C=C1CCC(CC1)COCSC 34a_100000074039_100011218213 [0,1,0,1,0,0|2,0,0]=4 21898 B12R1.1 C=C1CCC(CC1)NCCCC 270004a_100000102301_100010272673 [0,1,0,1,0,0|1,0,0]=3 21899 B12R1.1 C=C1CCC(CC1)NCCCF 270004a_100015189416_100010272673 [0,1,0,1,0,0|2,0,0]=4 21900 B12R1.1 C=C1CCC(CC1)NCCCO 270004a_100000182051_100010272673 [0,1,0,1,0,0|2,0,0]=4 21901 B12R1.1 C=C1CCC(CC1)NCCOC 270004a_100000209980_100010272673 [0,1,0,1,0,0|2,0,0]=4 21902 B12R1.1 C=C1CCC(CC1)NCCSC 270004a_100020590264_100010272673 [0,1,0,1,0,0|2,0,0]=4 21903 B12R1.1 C=C1CCN(CC1)CCCCC 2230a_100000752442_100000210326 [0,1,0,1,0,0|1,0,0]=3 21904 B12R1.1 C=C1CCN(CC1)CCCCC 269982a_100000752442_100000210215 [0,1,0,1,0,0|1,0,0]=3 21905 B12R1.1 C=C1CCN(CC1)CCCCC 34a_100000752442_100000718602 [0,1,0,1,0,0|1,0,0]=3 21906 B12R1.1 C=C1CCN(CC1)CCCCF 2230a_100000752442_100000729493 [0,1,0,1,0,0|2,0,0]=4 21907 B12R1.1 C=C1CCN(CC1)CCCCF 269982a_100000752442_100000729493 [0,1,0,1,0,0|2,0,0]=4 21908 B12R1.1 C=C1CCN(CC1)CCCCF 34a_100000752442_100000729493 [0,1,0,1,0,0|2,0,0]=4 21909 B12R1.1 C=C1CCN(CC1)CCCCO 2230a_100000752442_100000210776 [0,1,0,1,0,0|2,0,0]=4 21910 B12R1.1 C=C1CCN(CC1)CCCCO 269982a_100000752442_100000210776 [0,1,0,1,0,0|2,0,0]=4 21911 B12R1.1 C=C1CCN(CC1)CCCCO 34a_100000752442_100011216708 [0,1,0,1,0,0|2,0,0]=4 21912 B12R1.1 C=C1CCN(CC1)CCCOC 2230a_100000752442_100000740836 [0,1,0,1,0,0|2,0,0]=4 21913 B12R1.1 C=C1CCN(CC1)CCCOC 269982a_100000752442_100000740836 [0,1,0,1,0,0|2,0,0]=4 21914 B12R1.1 C=C1CCN(CC1)CCCOC 34a_100000752442_100000740836 [0,1,0,1,0,0|2,0,0]=4 21915 B12R1.1 C=C1CCN(CC1)CCOCC 2230a_100000752442_100011215890 [0,1,0,1,0,0|2,0,0]=4 21916 B12R1.1 C=C1CCN(CC1)CCOCC 269982a_100000752442_100011215890 [0,1,0,1,0,0|2,0,0]=4 21917 B12R1.1 C=C1CCN(CC1)CCOCC 34a_100000752442_100000210147 [0,1,0,1,0,0|2,0,0]=4 21918 B12R1.1 C=C1CCN(CC1)CCSCC 2230a_100000752442_100000757381 [0,1,0,1,0,0|2,0,0]=4 21919 B12R1.1 C=C1CCN(CC1)CCSCC 269982a_100000752442_100000757381 [0,1,0,1,0,0|2,0,0]=4 21920 B12R1.1 C=C1CCN(CC1)CCSCC 34a_100000752442_100000757381 [0,1,0,1,0,0|2,0,0]=4 21921 B12R1.1 C=CCCOC1CCC(=O)CC1 34a_100000764474_100000754431 [0,1,0,1,0,0|0,0,2]=4 21922 B12R1.1 C=CCCOC1CCC(=O)CC1 7a_100000764474_100000754431 [0,1,0,1,0,0|0,0,2]=4 21923 B12R1.1 C=CCOCC1CCC(=O)CC1 34a_100000062911_100015514636 [0,1,0,1,0,0|0,0,2]=4 21924 B12R1.1 CC#CCOC1CCC(=O)CC1 34a_100000764474_100000748600 [0,1,0,1,0,0|0,0,2]=4 21925 B12R1.1 CC#CCOC1CCC(=O)CC1 7a_100000764474_100000748600 [0,1,0,1,0,0|0,0,2]=4 21926 B12R1.1 CC=CCOC1CCC(=O)CC1 34a_100000764474_100000070051 [0,1,0,1,0,0|0,0,2]=4 21927 B12R1.1 CC=CCOC1CCC(=O)CC1 7a_100000764474_100000070051 [0,1,0,1,0,0|0,0,2]=4 21928 B12R1.1 CCCCCN1CC=C(CC1)C 2230a_100000693516_100000210326 [0,1,0,1,0,0|1,0,1]=4 21929 B12R1.1 CCCCCN1CC=C(CC1)C 269982a_100000693516_100000210215 [0,1,0,1,0,0|1,0,1]=4 21930 B12R1.1 CCCCCN1CC=C(CC1)C 34a_100000693516_100000718602 [0,1,0,1,0,0|1,0,1]=4 21931 B12R1.1 CCCCCN1CCC(CC1)C 2230a_100000188429_100000210326 [0,1,0,1,0,0|1,0,1]=4 21932 B12R1.1 CCCCCN1CCC(CC1)C 269982a_100000188429_100000210215 [0,1,0,1,0,0|1,0,1]=4 21933 B12R1.1 CCCCCN1CCC(CC1)C 34a_100000188429_100000718602 [0,1,0,1,0,0|1,0,1]=4 21934 B12R1.1 CCCCCN1CCC(CC1)F 2230a_100015193889_100000210326 [0,1,0,1,0,0|1,0,1]=4 21935 B12R1.1 CCCCCN1CCC(CC1)F 269982a_100015193889_100000210215 [0,1,0,1,0,0|1,0,1]=4 21936 B12R1.1 CCCCCN1CCC(CC1)F 34a_100015193889_100000718602 [0,1,0,1,0,0|1,0,1]=4 21937 B12R1.1 CCCCCN1CCC(CC1)O 2230a_100025773856_100000210326 [0,1,0,1,0,0|0,0,2]=4 21938 B12R1.1 CCCCCN1CCC(CC1)O 269982a_100025773856_100000210215 [0,1,0,1,0,0|0,0,2]=4 21939 B12R1.1 CCCCCN1CCN(CC1)C 2230a_100000188432_100000210326 [0,1,0,1,0,0|2,0,0]=4 21940 B12R1.1 CCCCCN1CCN(CC1)C 2230a_100011207891_200000210301 [0,1,0,1,0,0|2,0,0]=4 21941 B12R1.1 CCCCCN1CCN(CC1)C 269982a_100000188432_100000210215 [0,1,0,1,0,0|2,0,0]=4 21942 B12R1.1 CCCCCN1CCN(CC1)C 269982a_100011207891_200000210301 [0,1,0,1,0,0|2,0,0]=4 21943 B12R1.1 CCCCCN1CCN(CC1)[13CH3] 2230a_100011207891_200025704644 [0,1,0,1,0,0|2,0,0]=4 21944 B12R1.1 CCCCCN1CCN(CC1)[13CH3] 269982a_100011207891_200025704644 [0,1,0,1,0,0|2,0,0]=4 21945 B12R1.1 CCCCCN1CCS(=O)CC1 2230a_100000752083_100000210326 [0,1,0,1,0,0|1,0,0]=3 21946 B12R1.1 CCCCCN1CCS(=O)CC1 269982a_100000752083_100000210215 [0,1,0,1,0,0|1,0,0]=3 21947 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [0,1,0,1,0,0|1,0,0]=3 21948 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [0,1,0,1,0,0|1,0,0]=3 21949 B12R1.1 CCCCNC1CCC(CC1)C 270004a_100000102301_100000185489 [0,1,0,1,0,0|1,0,1]=4 21950 B12R1.1 CCCCNC1CCC(CC1)O 270004a_100000102301_100000764474 [0,1,0,1,0,0|0,0,2]=4 21951 B12R1.1 CCCCNC1CCN(CC1)C 270004a_100000102301_100000210137 [0,1,0,1,0,0|2,0,0]=4 21952 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210211 [0,1,0,1,0,0|1,0,1]=4 21953 B12R1.1 CCCCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210210 [0,1,0,1,0,0|1,0,1]=4 21954 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,1,0,1,0,0|0,0,0]=2 21955 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,1,0,1,0,0|0,0,0]=2 21956 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,1,0,1,0,0|1,0,0]=3 21957 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210227_200011216234 [0,1,0,1,0,0|1,0,1]=4 21958 B12R1.1 CCCCOC1CCC(CC1)C 34a_100000210714_100000210210 [0,1,0,1,0,0|1,0,1]=4 21959 B12R1.1 CCCCOC1CCC(CC1)C 7a_100000210714_100000210211 [0,1,0,1,0,0|1,0,1]=4 21960 B12R1.1 CCCCOC1CNC(=O)NC1 34a_100000080929_100000210210 [0,1,0,1,0,0|2,0,0]=4 21961 B12R1.1 CCCCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210210 [0,1,0,1,0,0|1,0,1]=4 21962 B12R1.1 CCCCSC1CCC(CC1)C 62a_100000210211_200011216234 [0,1,0,1,0,0|1,0,1]=4 21963 B12R1.1 CCCCSC1CCN(CC1)C 62a_100000210211_100011215917 [0,1,0,1,0,0|2,0,0]=4 21964 B12R1.1 CCCNCC1CCC(CC1)C 2230a_103436935547_100000210303 [0,1,0,1,0,0|1,0,1]=4 21965 B12R1.1 CCCNCC1CCC(CC1)C 34a_103436935547_100000210303 [0,1,0,1,0,0|1,0,1]=4 21966 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [0,1,0,1,0,0|0,0,0]=2 21967 B12R1.1 CCCOCC1CCC(CC1)C 34a_100000701341_100000210303 [0,1,0,1,0,0|1,0,1]=4 21968 B12R1.1 CCCOC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210303 [0,1,0,1,0,0|1,0,1]=4 21969 B12R1.1 CCCSCC1CCN(CC1)C 62a_100000210303_100015183002 [0,1,0,1,0,0|2,0,0]=4 21970 B12R1.1 CCCSCC1CCN(CC1)C 62a_100015183002_100000210303 [0,1,0,1,0,0|2,0,0]=4 21971 B12R1.1 CCNCCC1CCC(CC1)O 34a_200011935226_100000210202 [0,1,0,1,0,0|0,0,2]=4 21972 B12R1.1 CCOCCC1CCC(CC1)N 34a_100000070672_100000210202 [0,1,0,1,0,0|1,0,1]=4 21973 B12R1.1 CCOCCN1CCS(=O)CC1 2230a_100000752083_100011215890 [0,1,0,1,0,0|2,0,0]=4 21974 B12R1.1 CCOCCN1CCS(=O)CC1 269982a_100000752083_100011215890 [0,1,0,1,0,0|2,0,0]=4 21975 B12R1.1 CCSCCN1CCS(=O)CC1 2230a_100000752083_100000757381 [0,1,0,1,0,0|2,0,0]=4 21976 B12R1.1 CCSCCN1CCS(=O)CC1 269982a_100000752083_100000757381 [0,1,0,1,0,0|2,0,0]=4 21977 B12R1.1 CN1CCC(CC1)CCCCO 2230a_100016989291_200000210301 [0,1,0,1,0,0|2,0,0]=4 21978 B12R1.1 CN1CCC(CC1)CCCCO 269982a_100016989291_200000210301 [0,1,0,1,0,0|2,0,0]=4 21979 B12R1.1 CN1CCC(CC1)CCCCO 34a_100016989291_200000210301 [0,1,0,1,0,0|2,0,0]=4 21980 B12R1.1 CN1CCC(CC1)CCCO[13CH3] 34a_100000083870_200025704644 [0,1,0,1,0,0|2,0,0]=4 21981 B12R1.1 CN1CCC(CC1)CCCO[13CH3] 7a_100000083870_200025704644 [0,1,0,1,0,0|2,0,0]=4 21982 B12R1.1 COCCCC1CCN(CC1)C 34a_100000083870_200000210301 [0,1,0,1,0,0|2,0,0]=4 21983 B12R1.1 COCCCC1CCN(CC1)C 7a_100000083870_200000210301 [0,1,0,1,0,0|2,0,0]=4 21984 B12R1.1 COCCCN1CCS(=O)CC1 2230a_100000752083_100000740836 [0,1,0,1,0,0|2,0,0]=4 21985 B12R1.1 COCCCN1CCS(=O)CC1 269982a_100000752083_100000740836 [0,1,0,1,0,0|2,0,0]=4 21986 B12R1.1 COCCNC1CCC(=O)NC1 2230a_100000748762_100011201679 [0,1,0,1,0,0|2,0,0]=4 21987 B12R1.1 COCCNC1CCC(=O)NC1 34a_100000748762_100011201679 [0,1,0,1,0,0|2,0,0]=4 21988 B12R1.1 COCCOC1CCC(=O)CC1 34a_100000764474_100011201679 [0,1,0,1,0,0|1,0,0]=3 21989 B12R1.1 COCCOC1CCC(=O)CC1 7a_100000764474_100000233755 [0,1,0,1,0,0|1,0,0]=3 21990 B12R1.1 COCCOC1CCC(=O)NC1 34a_100000079199_100011201679 [0,1,0,1,0,0|2,0,0]=4 21991 B12R1.1 CSCCNC1CCC(=O)NC1 2230a_100000748762_100000751147 [0,1,0,1,0,0|2,0,0]=4 21992 B12R1.1 CSCCNC1CCC(=O)NC1 34a_100000748762_100000212216 [0,1,0,1,0,0|2,0,0]=4 21993 B12R1.1 CSCCOC1CCC(=O)CC1 34a_100000764474_100000212216 [0,1,0,1,0,0|1,0,0]=3 21994 B12R1.1 CSCCOC1CCC(=O)CC1 7a_100000764474_100000212216 [0,1,0,1,0,0|1,0,0]=3 21995 B12R1.1 CSCCOC1CCC(=O)NC1 34a_100000079199_100000212216 [0,1,0,1,0,0|2,0,0]=4 21996 B12R1.1 CSCOCC1CCC(=O)CC1 34a_100000062911_100011218213 [0,1,0,1,0,0|1,0,0]=3 21997 B12R1.1 N#CCCOC1CCC(=O)CC1 7a_100000764474_100000184422 [0,1,0,1,0,0|1,0,1]=4 21998 B12R1.1 O=C1CCC(CC1)COCCF 34a_100000062911_100011217306 [0,1,0,1,0,0|1,0,0]=3 21999 B12R1.1 O=C1CCC(CC1)COCCO 34a_100000062911_100000211926 [0,1,0,1,0,0|1,0,0]=3 22000 B12R1.1 O=C1CCC(CC1)OCCCF 34a_100000764474_100011934791 [0,1,0,1,0,0|1,0,0]=3 22001 B12R1.1 O=C1CCC(CC1)OCCCF 7a_100000764474_100011934791 [0,1,0,1,0,0|1,0,0]=3 22002 B12R1.1 O=C1CCC(CC1)OCCCO 34a_100000764474_100000230001 [0,1,0,1,0,0|1,0,0]=3 22003 B12R1.1 O=C1CCC(CC1)OCCCO 7a_100000764474_100011215043 [0,1,0,1,0,0|1,0,0]=3 22004 B12R1.1 O=C1CCC(CN1)NCCCF 2230a_100000748762_100011934791 [0,1,0,1,0,0|2,0,0]=4 22005 B12R1.1 O=C1CCC(CN1)NCCCF 34a_100000748762_100011934791 [0,1,0,1,0,0|2,0,0]=4 22006 B12R1.1 O=C1CCC(CN1)NCCCO 2230a_100000748762_100000230001 [0,1,0,1,0,0|2,0,0]=4 22007 B12R1.1 O=C1CCC(CN1)NCCCO 34a_100000748762_100000230001 [0,1,0,1,0,0|2,0,0]=4 22008 B12R1.1 O=C1CCC(CN1)OCCCF 34a_100000079199_100011934791 [0,1,0,1,0,0|2,0,0]=4 22009 B12R1.1 O=C1CCC(CN1)OCCCO 34a_100000079199_100000230001 [0,1,0,1,0,0|2,0,0]=4 22010 B12R1.1 O=CCOCC1CCC(=O)CC1 34a_100000062911_200009817547 [0,1,0,1,0,0|1,0,1]=4 22011 B12R1.1 O=S1CCN(CC1)CCCCF 2230a_100000752083_100000729493 [0,1,0,1,0,0|2,0,0]=4 22012 B12R1.1 O=S1CCN(CC1)CCCCF 269982a_100000752083_100000729493 [0,1,0,1,0,0|2,0,0]=4 22013 B12R1.1 O=S1CCN(CC1)CCCCO 2230a_100000752083_100000210776 [0,1,0,1,0,0|2,0,0]=4 22014 B12R1.1 O=S1CCN(CC1)CCCCO 269982a_100000752083_100000210776 [0,1,0,1,0,0|2,0,0]=4 22015 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 2230a_100016989291_200025704644 [0,1,0,1,0,0|2,0,0]=4 22016 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 269982a_100016989291_200025704644 [0,1,0,1,0,0|2,0,0]=4 22017 B12R1.1 [13CH3]N1CCC(CC1)CCCCO 34a_100016989291_200025704644 [0,1,0,1,0,0|2,0,0]=4 22018 B12R1.7 C#CCCCOC1CCC(=O)C1 34a_100012614533_100000695029 [0,1,0,1,0,0|0,0,2]=4 22019 B12R1.7 C=CCCCOC1CCC(=O)C1 34a_100012614533_100000757094 [0,1,0,1,0,0|0,0,2]=4 22020 B12R1.7 CC/C=C\COC1CCC(=O)C1 34a_100012614533_100103147603 [0,1,0,1,0,0|0,0,2]=4 22021 B12R1.7 CCC#CCOC1CCC(=O)C1 34a_100012614533_100009813939 [0,1,0,1,0,0|0,0,2]=4 22022 B12R1.7 CCCCCCN1CCC(C1)O 2230a_100011215560_100000210314 [0,1,0,1,0,0|0,0,2]=4 22023 B12R1.7 CCCCCCN1CCC(C1)O 269982a_100011215560_100000210757 [0,1,0,1,0,0|0,0,2]=4 22024 B12R1.7 CCCCCCN1CC[C@@H](C1)F 2230a_100015203821_100000210314 [0,1,0,1,0,0|1,0,1]=4 22025 B12R1.7 CCCCCCN1CC[C@@H](C1)F 269982a_100015203821_100000210757 [0,1,0,1,0,0|1,0,1]=4 22026 B12R1.7 CCCCCCN1CC[C@@H](C1)F 34a_100015203821_100000210314 [0,1,0,1,0,0|1,0,1]=4 22027 B12R1.7 CCCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210314 [0,1,0,1,0,0|1,0,1]=4 22028 B12R1.7 CCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210757 [0,1,0,1,0,0|1,0,1]=4 22029 B12R1.7 CCCCCCN1CC[C@H](C1)C 34a_100016987628_100000210314 [0,1,0,1,0,0|1,0,1]=4 22030 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,1,0,1,0,0|1,0,0]=3 22031 B12R1.7 CCCCCNC1CCC(C1)C 270004a_100000209983_100011215218 [0,1,0,1,0,0|1,0,1]=4 22032 B12R1.7 CCCCCNC1CCC(C1)O 270004a_100000209983_100012614533 [0,1,0,1,0,0|0,0,2]=4 22033 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,1,0,1,0,0|1,0,0]=3 22034 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210326 [0,1,0,1,0,0|0,0,2]=4 22035 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,1,0,0|0,0,0]=2 22036 B12R1.7 CCCCCOC1CCC(C1)C 34a_100000698185_100000718602 [0,1,0,1,0,0|1,0,1]=4 22037 B12R1.7 CCCCCOC1CCN(C1)C 7a_100000210253_200012183744 [0,1,0,1,0,0|2,0,0]=4 22038 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,1,0,1,0,0|1,0,0]=3 22039 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,1,0,1,0,0|2,0,0]=4 22040 B12R1.7 CCCCCSC1CCN(C1)C 62a_100000210326_200012183744 [0,1,0,1,0,0|2,0,0]=4 22041 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,1,0,1,0,0|2,0,0]=4 22042 B12R1.7 CCCCNCC1CCN(C1)C 7a_106832991798_200000690779 [0,1,0,1,0,0|2,0,0]=4 22043 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,1,0,1,0,0|1,0,0]=3 22044 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,1,0,1,0,0|1,0,0]=3 22045 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,1,0,1,0,0|2,0,0]=4 22046 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,1,0,1,0,0|2,0,0]=4 22047 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,1,0,1,0,0|1,0,0]=3 22048 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,1,0,1,0,0|1,0,0]=3 22049 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,1,0,1,0,0|1,0,0]=3 22050 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,1,0,1,0,0|1,0,0]=3 22051 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,1,0,1,0,0|2,0,0]=4 22052 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,1,0,1,0,0|2,0,0]=4 22053 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,1,0,1,0,0|1,0,0]=3 22054 B12R1.7 CCCCOCC1CCN(C1)C 34a_100000210227_200000690779 [0,1,0,1,0,0|2,0,0]=4 22055 B12R1.7 CCCCOCC1CCN(C1)C 7a_100000210227_200000690779 [0,1,0,1,0,0|2,0,0]=4 22056 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,1,0,1,0,0|1,0,0]=3 22057 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,1,0,1,0,0|2,0,0]=4 22058 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,1,0,1,0,0|2,0,0]=4 22059 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,1,0,1,0,0|2,0,0]=4 22060 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,1,0,1,0,0|2,0,0]=4 22061 B12R1.7 CCCCOCN1CNC(=O)C1 2230a_200000708111_100011995733 [0,1,0,1,0,0|2,0,0]=4 22062 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,1,0,1,0,0|1,0,0]=3 22063 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,1,0,1,0,0|2,0,0]=4 22064 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,1,0,1,0,0|2,0,0]=4 22065 B12R1.7 CCCCSCC1CCN(C1)C 62a_100000210211_200000690779 [0,1,0,1,0,0|2,0,0]=4 22066 B12R1.7 CCCCSCC1CCN(C1)C 62a_200000690779_100000210210 [0,1,0,1,0,0|2,0,0]=4 22067 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,1,0,1,0,0|2,0,0]=4 22068 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,1,0,1,0,0|2,0,0]=4 22069 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,1,0,1,0,0|2,0,0]=4 22070 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,1,0,1,0,0|2,0,0]=4 22071 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,1,0,1,0,0|1,0,0]=3 22072 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,1,0,1,0,0|1,0,0]=3 22073 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,1,0,1,0,0|2,0,0]=4 22074 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,1,0,1,0,0|2,0,0]=4 22075 B12R1.7 CCCOCCN1CNC(=O)C1 2230a_200000708111_100011215938 [0,1,0,1,0,0|2,0,0]=4 22076 B12R1.7 CCOCCCN1CNC(=O)C1 2230a_200000708111_100012232248 [0,1,0,1,0,0|2,0,0]=4 22077 B12R1.7 CCOCCNC1CNC(=O)C1 2230a_100000697751_100011215890 [0,1,0,1,0,0|2,0,0]=4 22078 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,1,0,1,0,0|1,0,0]=3 22079 B12R1.7 CCOCCOC1CNC(=O)C1 34a_100000690082_100000210147 [0,1,0,1,0,0|2,0,0]=4 22080 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [0,1,0,1,0,0|2,0,0]=4 22081 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [0,1,0,1,0,0|2,0,0]=4 22082 B12R1.7 CCSCCNC1CNC(=O)C1 2230a_100000697751_100000757381 [0,1,0,1,0,0|2,0,0]=4 22083 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,1,0,1,0,0|1,0,0]=3 22084 B12R1.7 CCSCCOC1CNC(=O)C1 34a_100000690082_100000757381 [0,1,0,1,0,0|2,0,0]=4 22085 B12R1.7 COCCCCN1CNC(=O)C1 2230a_200000708111_100000730899 [0,1,0,1,0,0|2,0,0]=4 22086 B12R1.7 COCCCNC1CNC(=O)C1 2230a_100000697751_100000740836 [0,1,0,1,0,0|2,0,0]=4 22087 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,1,0,1,0,0|1,0,0]=3 22088 B12R1.7 COCCCOC1CNC(=O)C1 34a_100000690082_100000740836 [0,1,0,1,0,0|2,0,0]=4 22089 B12R1.7 COCCNCC1CNC(=O)C1 2230a_100016993742_100011201679 [0,1,0,1,0,0|2,0,0]=4 22090 B12R1.7 COCCNCC1CNC(=O)C1 34a_100016993742_100011201679 [0,1,0,1,0,0|2,0,0]=4 22091 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [0,1,0,1,0,0|2,0,0]=4 22092 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [0,1,0,1,0,0|2,0,0]=4 22093 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [0,1,0,1,0,0|2,0,0]=4 22094 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [0,1,0,1,0,0|2,0,0]=4 22095 B12R1.7 COCCOCC1CNC(=O)C1 34a_100016041077_100011201679 [0,1,0,1,0,0|2,0,0]=4 22096 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [0,1,0,1,0,0|2,0,0]=4 22097 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [0,1,0,1,0,0|2,0,0]=4 22098 B12R1.7 CSCCNCC1CNC(=O)C1 2230a_100016993742_100000751147 [0,1,0,1,0,0|2,0,0]=4 22099 B12R1.7 CSCCNCC1CNC(=O)C1 34a_100016993742_100000212216 [0,1,0,1,0,0|2,0,0]=4 22100 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [0,1,0,1,0,0|2,0,0]=4 22101 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [0,1,0,1,0,0|2,0,0]=4 22102 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [0,1,0,1,0,0|2,0,0]=4 22103 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [0,1,0,1,0,0|2,0,0]=4 22104 B12R1.7 CSCCOCC1CNC(=O)C1 34a_100016041077_100000212216 [0,1,0,1,0,0|2,0,0]=4 22105 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [0,1,0,1,0,0|2,0,0]=4 22106 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [0,1,0,1,0,0|2,0,0]=4 22107 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [0,1,0,1,0,0|2,0,0]=4 22108 B12R1.7 O=C1CC(CN1)CNCCCF 2230a_100016993742_100011934791 [0,1,0,1,0,0|2,0,0]=4 22109 B12R1.7 O=C1CC(CN1)CNCCCF 34a_100016993742_100011934791 [0,1,0,1,0,0|2,0,0]=4 22110 B12R1.7 O=C1CC(CN1)CNCCCO 2230a_100016993742_100000230001 [0,1,0,1,0,0|2,0,0]=4 22111 B12R1.7 O=C1CC(CN1)CNCCCO 34a_100016993742_100000230001 [0,1,0,1,0,0|2,0,0]=4 22112 B12R1.7 O=C1CC(CN1)COCCCF 34a_100016041077_100011934791 [0,1,0,1,0,0|2,0,0]=4 22113 B12R1.7 O=C1CC(CN1)COCCCO 34a_100016041077_100000230001 [0,1,0,1,0,0|2,0,0]=4 22114 B12R1.7 O=C1CC(CN1)NCCCCF 2230a_100000697751_100000729493 [0,1,0,1,0,0|2,0,0]=4 22115 B12R1.7 O=C1CC(CN1)NCCCCO 2230a_100000697751_100000210776 [0,1,0,1,0,0|2,0,0]=4 22116 B12R1.7 O=C1CC(CN1)OCCCCF 34a_100000690082_100000729493 [0,1,0,1,0,0|2,0,0]=4 22117 B12R1.7 O=C1CC(CN1)OCCCCO 34a_100000690082_100011216708 [0,1,0,1,0,0|2,0,0]=4 22118 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,1,0,1,0,0|1,0,0]=3 22119 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,1,0,1,0,0|1,0,0]=3 22120 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [0,1,0,1,0,0|2,0,0]=4 22121 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [0,1,0,1,0,0|2,0,0]=4 22122 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [0,1,0,1,0,0|2,0,0]=4 22123 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [0,1,0,1,0,0|2,0,0]=4 22124 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [0,1,0,1,0,0|2,0,0]=4 22125 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [0,1,0,1,0,0|2,0,0]=4 22126 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [0,1,0,1,0,0|2,0,0]=4 22127 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [0,1,0,1,0,0|2,0,0]=4 22128 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [0,1,0,1,0,0|2,0,0]=4 22129 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [0,1,0,1,0,0|2,0,0]=4 22130 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [0,1,0,1,0,0|2,0,0]=4 22131 B12R1.7 O=C1CN(CN1)CCCCCF 2230a_200000708111_100000729378 [0,1,0,1,0,0|2,0,0]=4 22132 B12R1.7 O=C1CN(CN1)CCCCCO 2230a_200000708111_100000746330 [0,1,0,1,0,0|2,0,0]=4 22133 B12R1.25 CC1C(=O)NCCN1CCCF 2230a_100000750721_100011934791 [0,1,0,1,0,0|2,0,0]=4 22134 B12R1.25 CC1C(=O)NCCN1CCCF 269982a_100000750721_100011934791 [0,1,0,1,0,0|2,0,0]=4 22135 B12R1.25 CC1C(=O)NCCN1CCCF 34a_100000750721_100011934791 [0,1,0,1,0,0|2,0,0]=4 22136 B12R1.25 CC1C(=O)NCCN1CCCO 2230a_100000750721_100000230001 [0,1,0,1,0,0|2,0,0]=4 22137 B12R1.25 CC1C(=O)NCCN1CCCO 269982a_100000750721_100011215043 [0,1,0,1,0,0|2,0,0]=4 22138 B12R1.25 CC1C(=O)NCCN1CCCO 34a_100000750721_100000230001 [0,1,0,1,0,0|2,0,0]=4 22139 B12R1.25 CCCCN1CCNC(=O)C1C 2230a_100000750721_100000210211 [0,1,0,1,0,0|1,0,0]=3 22140 B12R1.25 CCCCN1CCNC(=O)C1C 269982a_100000750721_100000210211 [0,1,0,1,0,0|1,0,0]=3 22141 B12R1.25 CCCCN1CCNC(=O)C1C 34a_100000750721_100000210210 [0,1,0,1,0,0|1,0,0]=3 22142 B12R1.25 CCCNC1CCCC(C1C)C 2230a_100000211273_100000210303 [0,1,0,1,0,0|1,0,1]=4 22143 B12R1.25 CCCNC1CCCC(C1C)C 34a_100000211273_100000210303 [0,1,0,1,0,0|1,0,1]=4 22144 B12R1.25 CCCOC1CCCC(C1C)C 34a_100011217532_100000210303 [0,1,0,1,0,0|1,0,1]=4 22145 B12R1.25 CCCOC1CCCC(C1C)C 7a_100011217532_100000210303 [0,1,0,1,0,0|1,0,1]=4 22146 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,1,0,1,0,0|1,0,0]=3 22147 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,1,0,1,0,0|1,0,0]=3 22148 B12R1.25 CCOCN1CCNC(=O)C1C 269982a_100000750721_100000739092 [0,1,0,1,0,0|2,0,0]=4 22149 B12R1.25 CN1C(=O)CCCC1CNCF 34a_200010383782_100015361967 [0,1,0,1,0,0|2,0,0]=4 22150 B12R1.25 COCCN1CCNC(=O)C1C 2230a_100000750721_100011201679 [0,1,0,1,0,0|2,0,0]=4 22151 B12R1.25 COCCN1CCNC(=O)C1C 269982a_100000750721_100000233755 [0,1,0,1,0,0|2,0,0]=4 22152 B12R1.25 COCCN1CCNC(=O)C1C 34a_100000750721_100011201679 [0,1,0,1,0,0|2,0,0]=4 22153 B12R1.25 CSCCN1CCNC(=O)C1C 2230a_100000750721_100000751147 [0,1,0,1,0,0|2,0,0]=4 22154 B12R1.25 CSCCN1CCNC(=O)C1C 269982a_100000750721_100000212216 [0,1,0,1,0,0|2,0,0]=4 22155 B12R1.25 CSCCN1CCNC(=O)C1C 34a_100000750721_100000212216 [0,1,0,1,0,0|2,0,0]=4 22156 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [0,1,0,1,0,0|0,0,2]=4 22157 B12R1.27 C#CC(=O)CCC1CCOCC1 1458a_100000211873_100011934994 [0,1,0,1,0,0|0,0,2]=4 22158 B12R1.27 C#CC(=O)CCN1CCCCC1 1458a_100000211873_100000739454 [0,1,0,1,0,0|0,0,2]=4 22159 B12R1.27 C#CC(=O)COC1CCCCC1 1458a_100000211873_100011935260 [0,1,0,1,0,0|0,0,2]=4 22160 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,1,0,1,0,0|0,0,2]=4 22161 B12R1.27 C=CC(=O)CCC1CCOCC1 1458a_100000185746_100011934994 [0,1,0,1,0,0|0,0,2]=4 22162 B12R1.27 C=CC(=O)CCN1CCCCC1 1458a_100000185746_100000739454 [0,1,0,1,0,0|0,0,2]=4 22163 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [0,1,0,1,0,0|0,0,2]=4 22164 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,1,0,1,0,0|0,0,2]=4 22165 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,1,0,1,0,0|0,0,2]=4 22166 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,1,0,1,0,0|0,0,1]=3 22167 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,1,0,0|0,0,0]=2 22168 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,1,0,0|0,0,0]=2 22169 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,1,0,1,0,0|0,0,0]=2 22170 B12R1.27 CCC(=O)CCC1OCCCO1 1458a_100000210414_100000764188 [0,1,0,1,0,0|1,0,0]=3 22171 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,1,0,1,0,0|0,0,0]=2 22172 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,1,0,1,0,0|0,0,0]=2 22173 B12R1.27 CCC(=O)CCN1CCCCO1 1458a_200015184090_100000210202 [0,1,0,1,0,0|1,0,0]=3 22174 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000210414_100000753993 [0,1,0,1,0,0|1,0,0]=3 22175 B12R1.27 CCC(=O)CCN1CCOCC1 1458a_100000749337_100000210202 [0,1,0,1,0,0|1,0,0]=3 22176 B12R1.27 CCC(=O)CNC1=NCCCC1 1458a_100000118790_100000210202 [0,1,0,1,0,0|1,0,1]=4 22177 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,1,0,0|0,0,0]=2 22178 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,1,0,0|0,0,0]=2 22179 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,1,0,0|0,0,0]=2 22180 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,1,0,0|0,0,0]=2 22181 B12R1.27 CCC(=O)COC1CCCOC1 34a_100000725409_100000693364 [0,1,0,1,0,0|1,0,0]=3 22182 B12R1.27 CCC(=O)COC1CCCSC1 7a_100015962668_100000747405 [0,1,0,1,0,0|1,0,0]=3 22183 B12R1.27 CCC(=O)COC1CCSCC1 34a_100000725409_100000069128 [0,1,0,1,0,0|1,0,0]=3 22184 B12R1.27 CCC(=O)COC1CCSCC1 7a_100000731022_100000747405 [0,1,0,1,0,0|1,0,0]=3 22185 B12R1.27 CCC(=O)CSC1C=CCCC1 62a_100000747405_100000751183 [0,1,0,1,0,0|0,0,2]=4 22186 B12R1.27 CCC(=O)CSC1C=CCCC1 62a_100000751183_100000747405 [0,1,0,1,0,0|0,0,2]=4 22187 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,1,0,1,0,0|0,0,0]=2 22188 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,1,0,1,0,0|0,0,0]=2 22189 B12R1.27 CCC(=O)CSC1CCCOC1 62a_100000747405_100000693364 [0,1,0,1,0,0|1,0,0]=3 22190 B12R1.27 CCC(=O)CSC1CCOCC1 62a_100000747405_100011324220 [0,1,0,1,0,0|1,0,0]=3 22191 B12R1.27 CCC(=O)CSC1CCSCC1 62a_100000747405_100000069128 [0,1,0,1,0,0|1,0,0]=3 22192 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,1,0,0|0,0,0]=2 22193 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,1,0,0|0,0,0]=2 22194 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,1,0,0|0,0,0]=2 22195 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,1,0,0|0,0,0]=2 22196 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,1,0,1,0,0|1,0,0]=3 22197 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,1,0,1,0,0|1,0,0]=3 22198 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,1,0,1,0,0|1,0,0]=3 22199 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,1,0,1,0,0|1,0,0]=3 22200 B12R1.27 CCC(=O)NCC1CCCOC1 11a_100000720124_100000210414 [0,1,0,1,0,0|1,0,0]=3 22201 B12R1.27 CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210414 [0,1,0,1,0,0|1,0,0]=3 22202 B12R1.27 CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210414 [0,1,0,1,0,0|1,0,0]=3 22203 B12R1.27 CCC(=O)NCC1CCCOC1 527a_100000720124_100000210414 [0,1,0,1,0,0|1,0,0]=3 22204 B12R1.27 CCC(=O)NCC1CCOCC1 11a_100000746373_100000210414 [0,1,0,1,0,0|1,0,0]=3 22205 B12R1.27 CCC(=O)NCC1CCOCC1 1626a_100000746373_100000210414 [0,1,0,1,0,0|1,0,0]=3 22206 B12R1.27 CCC(=O)NCC1CCOCC1 240690a_100000746373_100000210414 [0,1,0,1,0,0|1,0,0]=3 22207 B12R1.27 CCC(=O)NCC1CCOCC1 527a_100000746373_100000210414 [0,1,0,1,0,0|1,0,0]=3 22208 B12R1.27 CCC(=O)NCC1CCSCC1 11a_100015188806_100000210414 [0,1,0,1,0,0|1,0,0]=3 22209 B12R1.27 CCC(=O)NCC1CCSCC1 240690a_100015188806_100000210414 [0,1,0,1,0,0|1,0,0]=3 22210 B12R1.27 CCC(=O)NCC1CCSCC1 527a_100015188806_100000210414 [0,1,0,1,0,0|1,0,0]=3 22211 B12R1.27 CCC(=O)NC[C@H]1COCCO1 11a_100010981119_100000210414 [0,1,0,1,0,0|2,0,0]=4 22212 B12R1.27 CCC(=O)NC[C@H]1COCCO1 1626a_100010981119_100000210414 [0,1,0,1,0,0|2,0,0]=4 22213 B12R1.27 CCC(=O)NC[C@H]1COCCO1 240690a_100010981119_100000210414 [0,1,0,1,0,0|2,0,0]=4 22214 B12R1.27 CCC(=O)NC[C@H]1COCCO1 527a_100010981119_100000210414 [0,1,0,1,0,0|2,0,0]=4 22215 B12R1.27 CCC(=O)NN=C1CCCCC1 4a_100000183195_100000210434 [0,1,0,1,0,0|1,0,1]=4 22216 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,1,0,1,0,0|1,0,0]=3 22217 B12R1.27 CCC(=O)NNC1CCOCC1 22a_100000687383_100000210414 [0,1,0,1,0,0|2,0,0]=4 22218 B12R1.27 CCC(C)CNC1CCCCC1 2230a_100000182618_100000748023 [0,1,0,1,0,0|1,0,1]=4 22219 B12R1.27 CCC(C)CNC1CCCCC1 270004a_100000182618_100000243153 [0,1,0,1,0,0|1,0,1]=4 22220 B12R1.27 CCC(C)CNC1CCCCC1 270004a_100020588543_100000210434 [0,1,0,1,0,0|1,0,1]=4 22221 B12R1.27 CCC(C)CNC1CCCCC1 34a_100000182618_100000748023 [0,1,0,1,0,0|1,0,1]=4 22222 B12R1.27 CCC(C)COC1CCCCC1 34a_100000210231_100000748023 [0,1,0,1,0,0|1,0,1]=4 22223 B12R1.27 CCC(C)COC1CCCCC1 7a_100000210231_100000748023 [0,1,0,1,0,0|1,0,1]=4 22224 B12R1.27 CCC(C)CSC1CCCCC1 62a_100000210327_100000748023 [0,1,0,1,0,0|1,0,1]=4 22225 B12R1.27 CCC(C)CSC1CCCCC1 62a_100000748023_100000210327 [0,1,0,1,0,0|1,0,1]=4 22226 B12R1.27 CCC(C)NCC1CCCCC1 2230a_100000209981_100000211423 [0,1,0,1,0,0|1,0,1]=4 22227 B12R1.27 CCC(C)NCC1CCCCC1 2230a_100000210473_100000758301 [0,1,0,1,0,0|1,0,1]=4 22228 B12R1.27 CCC(C)NCC1CCCCC1 269862a_100000209981_100000211278 [0,1,0,1,0,0|1,0,1]=4 22229 B12R1.27 CCC(C)NCC1CCCCC1 34a_100000210473_100011215416 [0,1,0,1,0,0|1,0,1]=4 22230 B12R1.27 CCC(C)OCC1CCCCC1 34a_100000212181_100011215416 [0,1,0,1,0,0|1,0,1]=4 22231 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000210228_100000211423 [0,1,0,1,0,0|1,0,1]=4 22232 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000212181_100000758301 [0,1,0,1,0,0|1,0,1]=4 22233 B12R1.27 CCC(C)SCC1CCCCC1 62a_100000211423_100000758301 [0,1,0,1,0,0|1,0,1]=4 22234 B12R1.27 CCC(C)SCC1CCCCC1 62a_100000758301_100000211423 [0,1,0,1,0,0|1,0,1]=4 22235 B12R1.27 CCC(O)CNC1CCCCC1 2230a_100000182618_100011218378 [0,1,0,1,0,0|0,0,2]=4 22236 B12R1.27 CCC(O)CNC1CCCCC1 270004a_100011218483_100000210434 [0,1,0,1,0,0|0,0,2]=4 22237 B12R1.27 CCC(O)CNC1CCCCC1 34a_100000182618_100011218378 [0,1,0,1,0,0|0,0,2]=4 22238 B12R1.27 CCC(O)COC1CCCCC1 34a_100000210231_100011218378 [0,1,0,1,0,0|0,0,2]=4 22239 B12R1.27 CCC(O)COC1CCCCC1 7a_100000210231_100011218378 [0,1,0,1,0,0|0,0,2]=4 22240 B12R1.27 CCC(O)CSC1CCCCC1 62a_100000210327_100011218378 [0,1,0,1,0,0|0,0,2]=4 22241 B12R1.27 CCC(O)CSC1CCCCC1 62a_100011218378_100000210327 [0,1,0,1,0,0|0,0,2]=4 22242 B12R1.27 CCN(C)CCC1CCCCC1 2230a_100000225621_100012355289 [0,1,0,1,0,0|2,0,0]=4 22243 B12R1.27 CCN(C)CCC1CCCCC1 269982a_100000225621_100011273959 [0,1,0,1,0,0|2,0,0]=4 22244 B12R1.27 CCN(C)CCC1CCCCO1 2230a_100015183322_100000210202 [0,1,0,1,0,0|2,0,0]=4 22245 B12R1.27 CCN(C)CCC1CCCCO1 269982a_100015183322_100000204670 [0,1,0,1,0,0|2,0,0]=4 22246 B12R1.27 CCN(C)CCC1CCCCO1 34a_100015183322_100000210202 [0,1,0,1,0,0|2,0,0]=4 22247 B12R1.27 CCN(C)CCC1CCOCC1 2230a_100000225621_100011934994 [0,1,0,1,0,0|2,0,0]=4 22248 B12R1.27 CCN(C)CCC1CCOCC1 269982a_100000225621_100011934994 [0,1,0,1,0,0|2,0,0]=4 22249 B12R1.27 CCN(C)CCN1CCCCC1 2230a_100000225621_100000739454 [0,1,0,1,0,0|2,0,0]=4 22250 B12R1.27 CCN(C)CCN1CCCCC1 2230a_100000226107_200000210301 [0,1,0,1,0,0|2,0,0]=4 22251 B12R1.27 CCN(C)CCN1CCCCC1 269982a_100000225621_100000739454 [0,1,0,1,0,0|2,0,0]=4 22252 B12R1.27 CCN(C)CCN1CCCCC1 269982a_100000226107_200000210301 [0,1,0,1,0,0|2,0,0]=4 22253 B12R1.27 CCN(C)COC1CCCCC1 2230a_100000225621_100011935260 [0,1,0,1,0,0|2,0,0]=4 22254 B12R1.27 CCN(C)COC1CCCCC1 269982a_100000225621_100011935260 [0,1,0,1,0,0|2,0,0]=4 22255 B12R1.27 CCN([13CH3])CCN1CCCCC1 2230a_100000226107_200025704644 [0,1,0,1,0,0|2,0,0]=4 22256 B12R1.27 CCN([13CH3])CCN1CCCCC1 269982a_100000226107_200025704644 [0,1,0,1,0,0|2,0,0]=4 22257 B12R1.27 CC[C@H](C)CNC1CCCCC1 2230a_100000182618_100009816398 [0,1,0,1,0,0|1,0,1]=4 22258 B12R1.27 CC[C@H](C)CNC1CCCCC1 34a_100000182618_100009816398 [0,1,0,1,0,0|1,0,1]=4 22259 B12R1.27 CC[C@H](C)COC1CCCCC1 34a_100000210231_100009816398 [0,1,0,1,0,0|1,0,1]=4 22260 B12R1.27 CC[C@H](C)COC1CCCCC1 7a_100000210231_100009816398 [0,1,0,1,0,0|1,0,1]=4 22261 B12R1.27 CC[C@H](C)COC1CCCCC1 7a_100009816381_100000210327 [0,1,0,1,0,0|1,0,1]=4 22262 B12R1.27 CC[C@H](C)CSC1CCCCC1 62a_100000210327_100009816398 [0,1,0,1,0,0|1,0,1]=4 22263 B12R1.27 CC[C@H](C)CSC1CCCCC1 62a_100009816398_100000210327 [0,1,0,1,0,0|1,0,1]=4 22264 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,1,0,1,0,0|1,0,1]=4 22265 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,1,0,1,0,0|1,0,1]=4 22266 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,1,0,1,0,0|1,0,1]=4 22267 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,1,0,1,0,0|1,0,0]=3 22268 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 22269 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 22270 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 22271 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [0,1,0,1,0,0|1,0,0]=3 22272 B12R1.27 CNC(=O)CCN1CCCCO1 240690a_100102657272_200015184090 [0,1,0,1,0,0|2,0,0]=4 22273 B12R1.27 CNC(=O)CCN1CCCOC1 2230a_100000131196_100000737683 [0,1,0,1,0,0|2,0,0]=4 22274 B12R1.27 CNC(=O)CCN1CCCOC1 269982a_100000131196_100000737683 [0,1,0,1,0,0|2,0,0]=4 22275 B12R1.27 CNC(=O)CCN1CCCOC1 34a_100000131196_100012179268 [0,1,0,1,0,0|2,0,0]=4 22276 B12R1.27 CNC(=O)CCN1CCOCC1 2230a_100015191051_100000737683 [0,1,0,1,0,0|2,0,0]=4 22277 B12R1.27 CNC(=O)CCN1CCOCC1 240690a_100102657272_100000749337 [0,1,0,1,0,0|2,0,0]=4 22278 B12R1.27 CNC(=O)CCN1CCOCC1 269982a_100015191051_100000737683 [0,1,0,1,0,0|2,0,0]=4 22279 B12R1.27 CNC(=O)CCN1CCOCC1 34a_100015191051_100012179268 [0,1,0,1,0,0|2,0,0]=4 22280 B12R1.27 CNC(=O)CCN1CCOCC1 527a_100102657272_100000749337 [0,1,0,1,0,0|2,0,0]=4 22281 B12R1.27 CNC(=O)CCN1CCSCC1 2230a_100000737611_100000737683 [0,1,0,1,0,0|2,0,0]=4 22282 B12R1.27 CNC(=O)CCN1CCSCC1 269982a_100000737611_100000737683 [0,1,0,1,0,0|2,0,0]=4 22283 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,1,0,1,0,0|1,0,0]=3 22284 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,1,0,1,0,0|1,0,0]=3 22285 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,1,0,1,0,0|1,0,0]=3 22286 B12R1.27 CNC(=O)CNC1CCCOC1 2230a_100000719290_100000183359 [0,1,0,1,0,0|2,0,0]=4 22287 B12R1.27 CNC(=O)CNC1CCCOC1 270004a_100000693194_100000753404 [0,1,0,1,0,0|2,0,0]=4 22288 B12R1.27 CNC(=O)CNC1CCCOC1 34a_100000719290_100000183359 [0,1,0,1,0,0|2,0,0]=4 22289 B12R1.27 CNC(=O)CNC1CCCSC1 270004a_100000693194_100000057913 [0,1,0,1,0,0|2,0,0]=4 22290 B12R1.27 CNC(=O)CNC1CCNCC1 270004a_100000693194_100015192401 [0,1,0,1,0,0|2,0,0]=4 22291 B12R1.27 CNC(=O)CNC1CCOCC1 2230a_100000741149_100000183359 [0,1,0,1,0,0|2,0,0]=4 22292 B12R1.27 CNC(=O)CNC1CCOCC1 270004a_100000693194_100011217826 [0,1,0,1,0,0|2,0,0]=4 22293 B12R1.27 CNC(=O)CNC1CCOCC1 34a_100000741149_100000183359 [0,1,0,1,0,0|2,0,0]=4 22294 B12R1.27 CNC(=O)CNC1CCSCC1 2230a_100000748639_100000183359 [0,1,0,1,0,0|2,0,0]=4 22295 B12R1.27 CNC(=O)CNC1CCSCC1 270004a_100000693194_100000203788 [0,1,0,1,0,0|2,0,0]=4 22296 B12R1.27 CNC(=O)CNC1CCSCC1 34a_100000748639_100000183359 [0,1,0,1,0,0|2,0,0]=4 22297 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,1,0,1,0,0|1,0,0]=3 22298 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 22299 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 22300 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,1,0,1,0,0|1,0,0]=3 22301 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,1,0,1,0,0|1,0,0]=3 22302 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,1,0,1,0,0|1,0,0]=3 22303 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,1,0,1,0,0|1,0,0]=3 22304 B12R1.27 CNC(=O)COC1CCCCO1 34a_100000033831_100000183359 [0,1,0,1,0,0|2,0,0]=4 22305 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000750040_100000693364 [0,1,0,1,0,0|2,0,0]=4 22306 B12R1.27 CNC(=O)COC1CCCOC1 34a_100000754041_100000183359 [0,1,0,1,0,0|2,0,0]=4 22307 B12R1.27 CNC(=O)COC1CCCSC1 7a_100015962668_100000183359 [0,1,0,1,0,0|2,0,0]=4 22308 B12R1.27 CNC(=O)COC1CCOCC1 34a_100000744328_100000183359 [0,1,0,1,0,0|2,0,0]=4 22309 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000731022_100000183359 [0,1,0,1,0,0|2,0,0]=4 22310 B12R1.27 CNC(=O)COC1CCSCC1 34a_100000750040_100000069128 [0,1,0,1,0,0|2,0,0]=4 22311 B12R1.27 CNC(=O)COC1CCSCC1 7a_100000731022_100000183359 [0,1,0,1,0,0|2,0,0]=4 22312 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,1,0,1,0,0|1,0,0]=3 22313 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,1,0,1,0,0|1,0,0]=3 22314 B12R1.27 CNC(=O)CSC1CCCOC1 62a_100000183359_100000693364 [0,1,0,1,0,0|2,0,0]=4 22315 B12R1.27 CNC(=O)CSC1CCOCC1 62a_100000183359_100011324220 [0,1,0,1,0,0|2,0,0]=4 22316 B12R1.27 CNC(=O)CSC1CCSCC1 62a_100000183359_100000069128 [0,1,0,1,0,0|2,0,0]=4 22317 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,1,0,1,0,0|1,0,0]=3 22318 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,1,0,1,0,0|1,0,0]=3 22319 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,1,0,1,0,0|1,0,0]=3 22320 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,1,0,1,0,0|1,0,0]=3 22321 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,1,0,1,0,0|1,0,0]=3 22322 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,1,0,1,0,0|2,0,0]=4 22323 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 22324 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 22325 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 22326 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 22327 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,1,0,1,0,0|2,0,0]=4 22328 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100000720124_106832991635 [0,1,0,1,0,0|2,0,0]=4 22329 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100102657272_100000720124 [0,1,0,1,0,0|2,0,0]=4 22330 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100000720124_100102657272 [0,1,0,1,0,0|2,0,0]=4 22331 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100102657272_100000720124 [0,1,0,1,0,0|2,0,0]=4 22332 B12R1.27 CNC(=O)NCC1CCCOC1 512a_100000720124_100102657272 [0,1,0,1,0,0|2,0,0]=4 22333 B12R1.27 CNC(=O)NCC1CCCOC1 512a_106832991638_100000720124 [0,1,0,1,0,0|2,0,0]=4 22334 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100000746373_106832991635 [0,1,0,1,0,0|2,0,0]=4 22335 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100102657272_100000746373 [0,1,0,1,0,0|2,0,0]=4 22336 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100000746373_100102657272 [0,1,0,1,0,0|2,0,0]=4 22337 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100102657272_100000746373 [0,1,0,1,0,0|2,0,0]=4 22338 B12R1.27 CNC(=O)NCC1CCOCC1 512a_100000746373_100102657272 [0,1,0,1,0,0|2,0,0]=4 22339 B12R1.27 CNC(=O)NCC1CCOCC1 512a_106832991638_100000746373 [0,1,0,1,0,0|2,0,0]=4 22340 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100015188806_106832991635 [0,1,0,1,0,0|2,0,0]=4 22341 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100102657272_100015188806 [0,1,0,1,0,0|2,0,0]=4 22342 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100015188806_100102657272 [0,1,0,1,0,0|2,0,0]=4 22343 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100102657272_100015188806 [0,1,0,1,0,0|2,0,0]=4 22344 B12R1.27 CNC(=O)NCC1CCSCC1 512a_100015188806_100102657272 [0,1,0,1,0,0|2,0,0]=4 22345 B12R1.27 CNC(=O)NCC1CCSCC1 512a_106832991638_100015188806 [0,1,0,1,0,0|2,0,0]=4 22346 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,1,0,1,0,0|2,0,0]=4 22347 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [0,1,0,1,0,0|2,0,0]=4 22348 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [0,1,0,1,0,0|2,0,0]=4 22349 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [0,1,0,1,0,0|2,0,0]=4 22350 B12R1.27 COC(=O)CCN1CCOCC1 2230a_100015191051_100000204255 [0,1,0,1,0,0|2,0,0]=4 22351 B12R1.27 COC(=O)CCN1CCOCC1 269982a_100015191051_100000204255 [0,1,0,1,0,0|2,0,0]=4 22352 B12R1.27 COC(=O)CCN1CCOCC1 34a_100015191051_100000742370 [0,1,0,1,0,0|2,0,0]=4 22353 B12R1.27 COC(=O)CCN1CCSCC1 2230a_100000737611_100000204255 [0,1,0,1,0,0|2,0,0]=4 22354 B12R1.27 COC(=O)CCN1CCSCC1 269982a_100000737611_100000204255 [0,1,0,1,0,0|2,0,0]=4 22355 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,1,0,1,0,0|1,0,0]=3 22356 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,1,0,1,0,0|1,0,0]=3 22357 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,1,0,1,0,0|2,0,0]=4 22358 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,1,0,1,0,0|2,0,0]=4 22359 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [0,1,0,1,0,0|2,0,0]=4 22360 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [0,1,0,1,0,0|2,0,0]=4 22361 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [0,1,0,1,0,0|2,0,0]=4 22362 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [0,1,0,1,0,0|2,0,0]=4 22363 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,1,0,1,0,0|1,0,0]=3 22364 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,1,0,1,0,0|1,0,0]=3 22365 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,1,0,1,0,0|2,0,0]=4 22366 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,1,0,1,0,0|2,0,0]=4 22367 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [0,1,0,1,0,0|2,0,0]=4 22368 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [0,1,0,1,0,0|2,0,0]=4 22369 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [0,1,0,1,0,0|2,0,0]=4 22370 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [0,1,0,1,0,0|2,0,0]=4 22371 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,1,0,1,0,0|1,0,0]=3 22372 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,1,0,1,0,0|1,0,0]=3 22373 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,1,0,1,0,0|2,0,0]=4 22374 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [0,1,0,1,0,0|2,0,0]=4 22375 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [0,1,0,1,0,0|2,0,0]=4 22376 B12R1.27 O=C(C=CC1CCCCC1)CF 1458a_100102566626_100015361967 [0,1,0,1,0,0|1,0,1]=4 22377 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,1,0,0|1,0,0]=3 22378 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [0,1,0,1,0,0|1,0,0]=3 22379 B12R1.27 O=C(CF)CCN1CCCCO1 1458a_200015184090_100015361967 [0,1,0,1,0,0|2,0,0]=4 22380 B12R1.27 O=C(CF)CCN1CCOCC1 1458a_100000749337_100015361967 [0,1,0,1,0,0|2,0,0]=4 22381 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,1,0,1,0,0|1,0,0]=3 22382 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,1,0,0|1,0,0]=3 22383 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,1,0,1,0,0|1,0,0]=3 22384 B12R1.27 O=C(CO)CCC1OCCCO1 1458a_100000210174_100000764188 [0,1,0,1,0,0|2,0,0]=4 22385 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [0,1,0,1,0,0|1,0,0]=3 22386 B12R1.27 O=C(CO)CCN1CCOCC1 1458a_100000210174_100000753993 [0,1,0,1,0,0|2,0,0]=4 22387 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,1,0,1,0,0|1,0,0]=3 22388 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,1,0,0|1,0,0]=3 22389 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,1,0,0|1,0,0]=3 22390 B12R1.27 O=C(CO)NCC1CCCCO1 240690a_100000174945_100000210174 [0,1,0,1,0,0|2,0,0]=4 22391 B12R1.27 O=C(CO)NCC1CCCCO1 527a_100000174945_100000210174 [0,1,0,1,0,0|2,0,0]=4 22392 B12R1.27 O=C(CO)NCC1CCCOC1 240690a_100000720124_100000210174 [0,1,0,1,0,0|2,0,0]=4 22393 B12R1.27 O=C(CO)NCC1CCCOC1 527a_100000720124_100000210174 [0,1,0,1,0,0|2,0,0]=4 22394 B12R1.27 O=C(CO)NCC1CCOCC1 240690a_100000746373_100000210174 [0,1,0,1,0,0|2,0,0]=4 22395 B12R1.27 O=C(CO)NCC1CCOCC1 527a_100000746373_100000210174 [0,1,0,1,0,0|2,0,0]=4 22396 B12R1.27 O=C(CO)NCC1CCSCC1 240690a_100015188806_100000210174 [0,1,0,1,0,0|2,0,0]=4 22397 B12R1.27 O=C(CO)NCC1CCSCC1 527a_100015188806_100000210174 [0,1,0,1,0,0|2,0,0]=4 22398 B12R1.27 O=C(CO)NNC1CCCCC1 22a_100000709804_100000210174 [0,1,0,1,0,0|2,0,0]=4 22399 B12R1.77 C#CC1CCCCN1C(=O)CC 11a_200020621307_100000210414 [0,1,0,1,0,0|0,0,2]=4 22400 B12R1.77 C#CC1CCCCN1C(=O)CC 1626a_200020621307_100000210414 [0,1,0,1,0,0|0,0,2]=4 22401 B12R1.77 C#CC1CCCCN1C(=O)CC 240690a_200020621307_100000210414 [0,1,0,1,0,0|0,0,2]=4 22402 B12R1.77 C#CC1CCCCN1C(=O)CC 527a_200020621307_100000210414 [0,1,0,1,0,0|0,0,2]=4 22403 B12R1.77 C=CC(=O)N1CCCCC1CC 1626a_100000210034_100000185746 [0,1,0,1,0,0|0,0,2]=4 22404 B12R1.77 C=CC(=O)N1CCCCC1CC 240690a_100000210034_200121576911 [0,1,0,1,0,0|0,0,2]=4 22405 B12R1.77 CCC(=O)C1CCCCN1CC 1458a_100000743832_100000210202 [0,1,0,1,0,0|0,0,0]=2 22406 B12R1.77 CCC(=O)N1CCCCC1C#N 11a_100016989756_100000210414 [0,1,0,1,0,0|1,0,1]=4 22407 B12R1.77 CCC(=O)N1CCCCC1C#N 1626a_100016989756_100000210414 [0,1,0,1,0,0|1,0,1]=4 22408 B12R1.77 CCC(=O)N1CCCCC1C#N 240690a_100016989756_100000210414 [0,1,0,1,0,0|1,0,1]=4 22409 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,1,0,1,0,0|0,0,0]=2 22410 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,1,0,1,0,0|0,0,0]=2 22411 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,1,0,1,0,0|0,0,0]=2 22412 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,1,0,1,0,0|0,0,0]=2 22413 B12R1.77 CCC(=O)N1CCCCC1CO 240690a_100000210821_100000210414 [0,1,0,1,0,0|1,0,0]=3 22414 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000210414 [0,1,0,1,0,0|1,0,0]=3 22415 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000210414 [0,1,0,1,0,0|1,0,0]=3 22416 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000210414 [0,1,0,1,0,0|1,0,0]=3 22417 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000210414 [0,1,0,1,0,0|1,0,0]=3 22418 B12R1.77 CCC(=O)N1CCOC[C@H]1CO 240690a_100000717676_100000210414 [0,1,0,1,0,0|2,0,0]=4 22419 B12R1.77 CCC(C)C1CCCCC1NC 269862a_106832991636_100011216798 [0,1,0,1,0,0|1,0,1]=4 22420 B12R1.77 CCC(C)N1CCCCC1CC 2230a_100000210034_100000758301 [0,1,0,1,0,0|1,0,1]=4 22421 B12R1.77 CCC(C)N1CCCCC1CC 269982a_100000210034_100000758301 [0,1,0,1,0,0|1,0,1]=4 22422 B12R1.77 CCC(C)N1CCCCC1CC 34a_100000210034_100011215416 [0,1,0,1,0,0|1,0,1]=4 22423 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|1,0,0]=3 22424 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|1,0,0]=3 22425 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [0,1,0,1,0,0|1,0,0]=3 22426 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [0,1,0,1,0,0|1,0,0]=3 22427 B12R1.77 CCN1CCCCC1C(=O)CF 1458a_100000743832_100015361967 [0,1,0,1,0,0|1,0,0]=3 22428 B12R1.77 CCN1CCCCC1C(=O)NC 11a_106832991635_100000743832 [0,1,0,1,0,0|1,0,0]=3 22429 B12R1.77 CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210202 [0,1,0,1,0,0|1,0,0]=3 22430 B12R1.77 CCN1CCCCC1C(=O)NC 240690a_100102657272_100000743832 [0,1,0,1,0,0|1,0,0]=3 22431 B12R1.77 CCN1CCCCC1C(=O)NC 269982a_100011209383_100000204670 [0,1,0,1,0,0|1,0,0]=3 22432 B12R1.77 CCN1CCCCC1C(=O)NC 34a_100011209383_100000210202 [0,1,0,1,0,0|1,0,0]=3 22433 B12R1.77 CCN1CCCCC1C(=O)NC 527a_100102657272_100000743832 [0,1,0,1,0,0|1,0,0]=3 22434 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|1,0,0]=3 22435 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|1,0,0]=3 22436 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|1,0,0]=3 22437 B12R1.77 CCN1CCOCC1C(=O)OC 2230a_100000765174_100000210202 [0,1,0,1,0,0|2,0,0]=4 22438 B12R1.77 CCN1CCOCC1C(=O)OC 34a_100000765174_100000210202 [0,1,0,1,0,0|2,0,0]=4 22439 B12R1.77 CC[C@H]1COCCN1C(=O)CO 240690a_100016988097_100000210174 [0,1,0,1,0,0|2,0,0]=4 22440 B12R1.77 CC[C@H]1COCCN1C(=O)CO 527a_100016988097_100000210174 [0,1,0,1,0,0|2,0,0]=4 22441 B12R1.77 CC[C@H]1COCCN1C(=O)NC 2708a_100102657272_100016988097 [0,1,0,1,0,0|2,0,0]=4 22442 B12R1.77 CC[C@H]1COCCN1C(=O)NC 273464a_100102657272_100016988097 [0,1,0,1,0,0|2,0,0]=4 22443 B12R1.77 CNC(=O)C1CCCCN1CF 269982a_100011209383_100015361967 [0,1,0,1,0,0|2,0,0]=4 22444 B12R1.77 CNC(=O)C1CCCCN1CF 34a_100011209383_100015361967 [0,1,0,1,0,0|2,0,0]=4 22445 B12R1.77 CNC(=O)N1CCCCC1CO 2708a_100102657272_100000210821 [0,1,0,1,0,0|2,0,0]=4 22446 B12R1.77 CNC(=O)N1CCCCC1CO 273464a_100102657272_100000210821 [0,1,0,1,0,0|2,0,0]=4 22447 B12R1.77 COC(=O)C1CCCCN1CF 269982a_100000734855_100015361967 [0,1,0,1,0,0|2,0,0]=4 22448 B12R1.77 COC(=O)C1CCCCN1CF 34a_100000734855_100015361967 [0,1,0,1,0,0|2,0,0]=4 22449 B12R1.77 COC(=O)C1CNCCC1OC 34a_200103168510_200000210301 [0,1,0,1,0,0|2,0,0]=4 22450 B12R1.77 COC(=O)C1CNCCC1O[13CH3] 34a_200103168510_200025704644 [0,1,0,1,0,0|2,0,0]=4 22451 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,1,0,1,0,0|1,0,0]=3 22452 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,1,0,1,0,0|1,0,0]=3 22453 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,1,0,1,0,0|1,0,0]=3 22454 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,1,0,1,0,0|1,0,0]=3 22455 B12R1.77 O=C(CO)N1CCCCC1CO 240690a_100000210821_100000210174 [0,1,0,1,0,0|2,0,0]=4 22456 B12R1.82 CCC(=O)CN1CC=CC1CC 269982a_100000730860_100000747405 [0,1,0,1,0,0|0,0,2]=4 22457 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,1,0,1,0,0|0,0,0]=2 22458 B12R1.82 CCC(=O)CN1CCC[C@@H]1C#N 269982a_106645074975_100000747405 [0,1,0,1,0,0|1,0,1]=4 22459 B12R1.82 CCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747405 [0,1,0,1,0,0|1,0,0]=3 22460 B12R1.82 CCC(C)CN1CCCC1CC 2230a_100000754278_100000748023 [0,1,0,1,0,0|1,0,1]=4 22461 B12R1.82 CCC(C)CN1CCCC1CC 269982a_100000754278_100000748023 [0,1,0,1,0,0|1,0,1]=4 22462 B12R1.82 CCC(C)CN1CCCC1CC 270004a_100000754278_100000243153 [0,1,0,1,0,0|1,0,1]=4 22463 B12R1.82 CCC(C)CN1CCCC1CC 34a_100000754278_100000748023 [0,1,0,1,0,0|1,0,1]=4 22464 B12R1.82 CCC(C)NC1CCCC1CC 269862a_100000209981_100000749056 [0,1,0,1,0,0|1,0,1]=4 22465 B12R1.82 CCC(C)NC1CCCC1CC 270004a_100000209981_100000749056 [0,1,0,1,0,0|1,0,1]=4 22466 B12R1.82 CCC(O)CN1CCCC1CC 2230a_100000754278_100011218378 [0,1,0,1,0,0|0,0,2]=4 22467 B12R1.82 CCC(O)CN1CCCC1CC 269982a_100000754278_100011218378 [0,1,0,1,0,0|0,0,2]=4 22468 B12R1.82 CCC(O)CN1CCCC1CC 34a_100000754278_100011218378 [0,1,0,1,0,0|0,0,2]=4 22469 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 22470 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 22471 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [0,1,0,1,0,0|1,0,0]=3 22472 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,1,0,1,0,0|1,0,0]=3 22473 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,1,0,1,0,0|1,0,0]=3 22474 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,1,0,1,0,0|1,0,0]=3 22475 B12R1.82 CCC1CCCN1C[C@@H](C)CC 2230a_100000754278_100009816398 [0,1,0,1,0,0|1,0,1]=4 22476 B12R1.82 CCC1CCCN1C[C@@H](C)CC 269982a_100000754278_100009816398 [0,1,0,1,0,0|1,0,1]=4 22477 B12R1.82 CCC1CCCN1C[C@@H](C)CC 34a_100000754278_100009816398 [0,1,0,1,0,0|1,0,1]=4 22478 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [0,1,0,1,0,0|1,0,0]=3 22479 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [0,1,0,1,0,0|1,0,0]=3 22480 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [0,1,0,1,0,0|1,0,0]=3 22481 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 22482 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 22483 B12R1.82 CNC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 22484 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747449 [0,1,0,1,0,0|2,0,0]=4 22485 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747449 [0,1,0,1,0,0|2,0,0]=4 22486 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000747449 [0,1,0,1,0,0|2,0,0]=4 22487 B12R1.82 COC(=O)C[C@H]1CCCN1CF 269982a_100025726698_100015361967 [0,1,0,1,0,0|2,0,0]=4 22488 B12R1.82 COC(=O)C[C@H]1CCCN1CF 34a_100025726698_100015361967 [0,1,0,1,0,0|2,0,0]=4 22489 B12R1.163 CCC(=O)CN1CCC1COC 269982a_100015195929_100000747405 [0,1,0,1,0,0|1,0,0]=3 22490 B12R1.163 CNC(=O)CN1CCC1COC 2230a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 22491 B12R1.163 CNC(=O)CN1CCC1COC 269982a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 22492 B12R1.163 CNC(=O)CN1CCC1COC 34a_100015195929_100000183359 [0,1,0,1,0,0|2,0,0]=4 22493 B12R1.163 COCC1CCN1CC(=O)OC 2230a_100015195929_100000747449 [0,1,0,1,0,0|2,0,0]=4 22494 B12R1.163 COCC1CCN1CC(=O)OC 269982a_100015195929_100000747449 [0,1,0,1,0,0|2,0,0]=4 22495 B12R1.163 COCC1CCN1CC(=O)OC 34a_100015195929_100000747449 [0,1,0,1,0,0|2,0,0]=4 22496 B12R1.271 CCCCCCOCC1CC1C 34a_100000744939_100000210314 [0,1,0,1,0,0|1,0,1]=4 22497 B12R1.271 CCCCCCOCC1CC1C 7a_100000744939_100000210314 [0,1,0,1,0,0|1,0,1]=4 22498 B12R1.272 CCCCCCCCN1CCC1 269982a_100000754969_100000210759 [0,1,0,1,0,0|2,0,0]=4 22499 B12R1.272 CCCCCCCNC1CCC1 2230a_100000749019_100000210681 [0,1,0,1,0,0|1,0,1]=4 22500 B12R1.272 CCCCCCCNC1CCC1 270004a_100000229938_100000241760 [0,1,0,1,0,0|1,0,1]=4 22501 B12R1.272 CCCCCCCNC1CCC1 34a_100000749019_100000210614 [0,1,0,1,0,0|1,0,1]=4 22502 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,1,0,1,0,0|1,0,1]=4 22503 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,1,0,1,0,0|1,0,1]=4 22504 B12R1.272 CCCCCCCSC1CCC1 62a_100000210614_100000749161 [0,1,0,1,0,0|1,0,1]=4 22505 B12R1.272 CCCCCCNCC1CCC1 2230a_100000210581_100000763275 [0,1,0,1,0,0|1,0,1]=4 22506 B12R1.272 CCCCCCNCC1CCC1 2230a_100000738700_100000210314 [0,1,0,1,0,0|1,0,1]=4 22507 B12R1.272 CCCCCCNCC1CCC1 269862a_100000210581_100000753134 [0,1,0,1,0,0|1,0,1]=4 22508 B12R1.272 CCCCCCNCC1CCC1 34a_100000738700_100000210314 [0,1,0,1,0,0|1,0,1]=4 22509 B12R1.272 CCCCCCNCC1CCO1 2230a_100000210581_100000103362 [0,1,0,1,0,0|0,0,2]=4 22510 B12R1.272 CCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210314 [0,1,0,1,0,0|0,0,2]=4 22511 B12R1.272 CCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210314 [0,1,0,1,0,0|0,0,2]=4 22512 B12R1.272 CCCCCCOCC1CCC1 34a_100000210259_100000763275 [0,1,0,1,0,0|1,0,1]=4 22513 B12R1.272 CCCCCCOCC1CCC1 34a_100000760304_100000210314 [0,1,0,1,0,0|1,0,1]=4 22514 B12R1.272 CCCCCCOCC1CCC1 7a_100000210259_100000763275 [0,1,0,1,0,0|1,0,1]=4 22515 B12R1.272 CCCCCCOCC1CCO1 34a_100000039022_100000210314 [0,1,0,1,0,0|0,0,2]=4 22516 B12R1.272 CCCCCCOCC1CCO1 34a_100000210259_100000103362 [0,1,0,1,0,0|0,0,2]=4 22517 B12R1.272 CCCCCCOCC1CCO1 7a_100000210259_100000103362 [0,1,0,1,0,0|0,0,2]=4 22518 B12R1.272 CCCCCCSCC1CCC1 62a_100000210314_100000763275 [0,1,0,1,0,0|1,0,1]=4 22519 B12R1.272 CCCCCCSCC1CCC1 62a_100000763275_100000210757 [0,1,0,1,0,0|1,0,1]=4 22520 B12R1.272 CCCCCCSCC1CCO1 62a_100000103362_100000210757 [0,1,0,1,0,0|0,0,2]=4 22521 B12R1.272 CCCCCCSCC1CCO1 62a_100000210314_100000103362 [0,1,0,1,0,0|0,0,2]=4 22522 B12R1.272 COCCCCCCN1CCC1 269982a_100000754969_100011998445 [0,1,0,1,0,0|2,0,0]=4 22523 B12R1.272 OCCCCCCCN1CCC1 269982a_100000754969_100000760002 [0,1,0,1,0,0|2,0,0]=4 22524 B12R1.291 C#CCN1CCC[C@H]1C(=O)CC 1458a_100020590449_100000210202 [0,1,0,1,0,0|0,0,2]=4 22525 B12R1.291 CCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000210414 [0,1,0,1,0,0|1,0,0]=3 22526 B12R1.291 CCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000210414 [0,1,0,1,0,0|1,0,0]=3 22527 B12R1.291 CCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000210414 [0,1,0,1,0,0|1,0,0]=3 22528 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 22529 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 22530 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210303 [0,1,0,1,0,0|1,0,0]=3 22531 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,1,0,1,0,0|1,0,0]=3 22532 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,1,0,1,0,0|1,0,0]=3 22533 B12R1.291 CCCN1CCSC1C(=O)OC 2230a_100015296106_100000210303 [0,1,0,1,0,0|2,0,0]=4 22534 B12R1.291 CCCN1CCSC1C(=O)OC 269982a_100015296106_100000210303 [0,1,0,1,0,0|2,0,0]=4 22535 B12R1.291 CCCN1CSCC1C(=O)OC 269982a_200000724679_100000210303 [0,1,0,1,0,0|2,0,0]=4 22536 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,1,0,1,0,0|1,0,0]=3 22537 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,1,0,1,0,0|1,0,0]=3 22538 B12R1.291 CNC(=O)N1CCC[C@H]1COC 2708a_100102657272_100020646714 [0,1,0,1,0,0|2,0,0]=4 22539 B12R1.291 CNC(=O)N1CCC[C@H]1COC 273464a_100102657272_100020646714 [0,1,0,1,0,0|2,0,0]=4 22540 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 2230a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 22541 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 269982a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 22542 B12R1.291 CNC(=O)[C@@H]1CCCN1CCF 34a_100015185040_100011217306 [0,1,0,1,0,0|2,0,0]=4 22543 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 2230a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 22544 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 269982a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 22545 B12R1.291 CNC(=O)[C@@H]1CCCN1CCO 34a_100015185040_100000211926 [0,1,0,1,0,0|2,0,0]=4 22546 B12R1.291 CNC(=O)[C@@H]1CCCN1COC 2230a_100015185040_100000766300 [0,1,0,1,0,0|2,0,0]=4 22547 B12R1.291 CNC(=O)[C@@H]1CCCN1COC 269982a_100015185040_100000766300 [0,1,0,1,0,0|2,0,0]=4 22548 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 2230a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 22549 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 269982a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 22550 B12R1.291 CNC(=O)[C@@H]1CCCN1CSC 34a_100015185040_100011218213 [0,1,0,1,0,0|2,0,0]=4 22551 B12R1.291 COC(=O)C1CCCC1OCF 34a_200000081814_100015361967 [0,1,0,1,0,0|2,0,0]=4 22552 B12R1.291 COC(=O)C1CCCC1OCF 7a_200000081814_100015361967 [0,1,0,1,0,0|2,0,0]=4 22553 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 2230a_100000752040_100011217306 [0,1,0,1,0,0|2,0,0]=4 22554 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 269982a_100000752040_100011217306 [0,1,0,1,0,0|2,0,0]=4 22555 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 2230a_100000752040_100000211926 [0,1,0,1,0,0|2,0,0]=4 22556 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 269982a_100000752040_100000211926 [0,1,0,1,0,0|2,0,0]=4 22557 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 2230a_100000752040_100011218213 [0,1,0,1,0,0|2,0,0]=4 22558 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 269982a_100000752040_100011218213 [0,1,0,1,0,0|2,0,0]=4 22559 B12R1.291 COCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000766300 [0,1,0,1,0,0|2,0,0]=4 22560 B12R1.291 COCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000766300 [0,1,0,1,0,0|2,0,0]=4 22561 B12R1.291 COC[C@@H]1CCCN1C(=O)CO 240690a_100020646714_100000210174 [0,1,0,1,0,0|2,0,0]=4 22562 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [0,1,0,1,0,0|1,0,0]=3 22563 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [0,1,0,1,0,0|1,0,0]=3 22564 B12R1.327 CCOCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000739092 [0,1,0,1,0,0|2,0,0]=4 22565 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 2230a_102516456887_100011934791 [0,1,0,1,0,0|2,0,0]=4 22566 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 269982a_102516456887_100011934791 [0,1,0,1,0,0|2,0,0]=4 22567 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 2230a_102516456887_100000230001 [0,1,0,1,0,0|2,0,0]=4 22568 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 269982a_102516456887_100011215043 [0,1,0,1,0,0|2,0,0]=4 22569 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 2230a_102516456887_100000751147 [0,1,0,1,0,0|2,0,0]=4 22570 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 269982a_102516456887_100000212216 [0,1,0,1,0,0|2,0,0]=4 22571 B12R1.327 COCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011201679 [0,1,0,1,0,0|2,0,0]=4 22572 B12R1.327 COCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000233755 [0,1,0,1,0,0|2,0,0]=4 22573 B12R1.353 C#CC(=O)CCC1CCCN1C 1458a_100000211873_100000005710 [0,1,0,1,0,0|0,0,2]=4 22574 B12R1.353 C=CC(=O)CCC1CCCN1C 1458a_100000185746_100000005710 [0,1,0,1,0,0|0,0,2]=4 22575 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,1,0,1,0,0|0,0,0]=2 22576 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,1,0,0|1,0,1]=4 22577 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000210414_100000742232 [0,1,0,1,0,0|1,0,1]=4 22578 B12R1.353 CCC(=O)CCN1CCCC1=O 1458a_100000751031_100000210202 [0,1,0,1,0,0|1,0,1]=4 22579 B12R1.353 CCC(=O)COC1CCCC1=O 34a_100000725409_100000709159 [0,1,0,1,0,0|1,0,1]=4 22580 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,1,0,0|0,0,0]=2 22581 B12R1.353 CCC(=O)COC1COCC1O 34a_100000725409_200000725654 [0,1,0,1,0,0|2,0,0]=4 22582 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000211823_100000747405 [0,1,0,1,0,0|1,0,1]=4 22583 B12R1.353 CCC(=O)CSC1CCCC1=O 62a_100000747405_100000211823 [0,1,0,1,0,0|1,0,1]=4 22584 B12R1.353 CCC(=O)CSC1COCC1O 62a_100000747405_200000725654 [0,1,0,1,0,0|2,0,0]=4 22585 B12R1.353 CCC(=O)CSC1COCC1O 62a_200000725654_100000747405 [0,1,0,1,0,0|2,0,0]=4 22586 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747405_200016002552 [0,1,0,1,0,0|1,0,0]=3 22587 B12R1.353 CCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747405 [0,1,0,1,0,0|1,0,0]=3 22588 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210414 [0,1,0,1,0,0|1,0,0]=3 22589 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210414 [0,1,0,1,0,0|1,0,0]=3 22590 B12R1.353 CCC(=O)NN=C1CCCC1C 4a_100000183195_100000752053 [0,1,0,1,0,0|1,0,1]=4 22591 B12R1.353 CCC(C)CNC1CCCC1C 269862a_100020588543_100000752053 [0,1,0,1,0,0|1,0,1]=4 22592 B12R1.353 CCC(C)COC1CCCC1C 34a_100011216460_100000748023 [0,1,0,1,0,0|1,0,1]=4 22593 B12R1.353 CCC(C)COC1CCCC1C 7a_100011216460_100000748023 [0,1,0,1,0,0|1,0,1]=4 22594 B12R1.353 CCC(O)CNC1CCCC1C 269862a_100011218483_100000752053 [0,1,0,1,0,0|0,0,2]=4 22595 B12R1.353 CCC(O)COC1CCCC1C 34a_100011216460_100011218378 [0,1,0,1,0,0|0,0,2]=4 22596 B12R1.353 CCC(O)COC1CCCC1C 7a_100011216460_100011218378 [0,1,0,1,0,0|0,0,2]=4 22597 B12R1.353 CCN(C)CCC1CCCN1C 2230a_100000225621_100000005710 [0,1,0,1,0,0|2,0,0]=4 22598 B12R1.353 CCN(C)CCC1CCCN1C 269982a_100000225621_100000005710 [0,1,0,1,0,0|2,0,0]=4 22599 B12R1.353 CC[C@H](C)COC1CCCC1C 34a_100011216460_100009816398 [0,1,0,1,0,0|1,0,1]=4 22600 B12R1.353 CC[C@H](C)COC1CCCC1C 7a_100011216460_100009816398 [0,1,0,1,0,0|1,0,1]=4 22601 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,1,0,1,0,0|1,0,0]=3 22602 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 240690a_100009821018_100000210174 [0,1,0,1,0,0|2,0,0]=4 22603 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 527a_100009821018_100000210174 [0,1,0,1,0,0|2,0,0]=4 22604 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737683 [0,1,0,1,0,0|1,0,0]=3 22605 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737683 [0,1,0,1,0,0|1,0,0]=3 22606 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737683 [0,1,0,1,0,0|1,0,0]=3 22607 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737683 [0,1,0,1,0,0|1,0,0]=3 22608 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 34a_100015189458_100012179268 [0,1,0,1,0,0|1,0,0]=3 22609 B12R1.353 CNC(=O)CCN1CCSC1C 2230a_200011216479_100000737683 [0,1,0,1,0,0|2,0,0]=4 22610 B12R1.353 CNC(=O)CCN1CCSC1C 269982a_200011216479_100000737683 [0,1,0,1,0,0|2,0,0]=4 22611 B12R1.353 CNC(=O)CCN1CCSC1C 34a_200011216479_100012179268 [0,1,0,1,0,0|2,0,0]=4 22612 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [0,1,0,1,0,0|1,0,0]=3 22613 B12R1.353 CNC(=O)CNC1CCOC1C 270004a_100000693194_100000691750 [0,1,0,1,0,0|2,0,0]=4 22614 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [0,1,0,1,0,0|1,0,0]=3 22615 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [0,1,0,1,0,0|1,0,0]=3 22616 B12R1.353 CNC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000183359 [0,1,0,1,0,0|2,0,0]=4 22617 B12R1.353 CNC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000183359 [0,1,0,1,0,0|2,0,0]=4 22618 B12R1.353 CNC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000183359 [0,1,0,1,0,0|2,0,0]=4 22619 B12R1.353 CNC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000183359_200016002552 [0,1,0,1,0,0|2,0,0]=4 22620 B12R1.353 CNC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000183359 [0,1,0,1,0,0|2,0,0]=4 22621 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_106832991635 [0,1,0,1,0,0|2,0,0]=4 22622 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100102657272_100009821018 [0,1,0,1,0,0|2,0,0]=4 22623 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100102657272 [0,1,0,1,0,0|2,0,0]=4 22624 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100102657272_100009821018 [0,1,0,1,0,0|2,0,0]=4 22625 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100102657272 [0,1,0,1,0,0|2,0,0]=4 22626 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_106832991638_100009821018 [0,1,0,1,0,0|2,0,0]=4 22627 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [0,1,0,1,0,0|1,0,0]=3 22628 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [0,1,0,1,0,0|1,0,0]=3 22629 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [0,1,0,1,0,0|1,0,0]=3 22630 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [0,1,0,1,0,0|1,0,0]=3 22631 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [0,1,0,1,0,0|1,0,0]=3 22632 B12R1.353 COC(=O)CCN1CCSC1C 2230a_200011216479_100000204255 [0,1,0,1,0,0|2,0,0]=4 22633 B12R1.353 COC(=O)CCN1CCSC1C 269982a_200011216479_100000204255 [0,1,0,1,0,0|2,0,0]=4 22634 B12R1.353 COC(=O)CCN1CCSC1C 34a_200011216479_100000742370 [0,1,0,1,0,0|2,0,0]=4 22635 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,1,0,1,0,0|1,0,0]=3 22636 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,1,0,1,0,0|1,0,0]=3 22637 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000747449 [0,1,0,1,0,0|2,0,0]=4 22638 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000747449 [0,1,0,1,0,0|2,0,0]=4 22639 B12R1.353 COC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000747449 [0,1,0,1,0,0|2,0,0]=4 22640 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747449_200016002552 [0,1,0,1,0,0|2,0,0]=4 22641 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747449 [0,1,0,1,0,0|2,0,0]=4 22642 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000741757 [0,1,0,1,0,0|2,0,0]=4 22643 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000741757 [0,1,0,1,0,0|2,0,0]=4 22644 B12R1.355 CNC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000741757 [0,1,0,1,0,0|2,0,0]=4 22645 B12R1.355 CNC(=O)CCOCC1CC1C 34a_100000744939_100012179268 [0,1,0,1,0,0|1,0,0]=3 22646 B12R1.355 CNC(=O)CCOCC1CC1C 7a_100000744939_100000737683 [0,1,0,1,0,0|1,0,0]=3 22647 B12R1.355 COC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218270 [0,1,0,1,0,0|2,0,0]=4 22648 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011218270 [0,1,0,1,0,0|2,0,0]=4 22649 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000742333 [0,1,0,1,0,0|2,0,0]=4 22650 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,1,0,1,0,0|1,0,0]=3 22651 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,1,0,1,0,0|1,0,0]=3 22652 B12R1.356 CCC(=O)NCCNC1CCC1 270004a_100132302217_100000241760 [0,1,0,1,0,0|1,0,0]=3 22653 B12R1.356 CCC(=O)NCCNC1CCC1 34a_100132302217_100000749161 [0,1,0,1,0,0|1,0,0]=3 22654 B12R1.356 CCC(=O)NCCNC1COC1 34a_100132302217_100009818527 [0,1,0,1,0,0|2,0,0]=4 22655 B12R1.356 CCC(=O)NCCOC1CCC1 34a_200000158885_100000749161 [0,1,0,1,0,0|1,0,0]=3 22656 B12R1.356 CCC(=O)NCCOC1COC1 34a_200000158885_100009818527 [0,1,0,1,0,0|2,0,0]=4 22657 B12R1.356 CCC(=O)NCCOC1COC1 7a_200000158885_100009818527 [0,1,0,1,0,0|2,0,0]=4 22658 B12R1.356 CCC(=O)OCCOC1COC1 7a_200000031056_100009818527 [0,1,0,1,0,0|2,0,0]=4 22659 B12R1.356 CCC(C)CCNCC1CCC1 2230a_100020591266_100000763275 [0,1,0,1,0,0|1,0,1]=4 22660 B12R1.356 CCC(C)CCNCC1CCC1 269862a_100020591266_100000753134 [0,1,0,1,0,0|1,0,1]=4 22661 B12R1.356 CCC(C)CCOCC1CCC1 7a_100011215188_100000763275 [0,1,0,1,0,0|1,0,1]=4 22662 B12R1.356 CCN(C)CCCNC1CCC1 2230a_100000749019_100015186262 [0,1,0,1,0,0|2,0,0]=4 22663 B12R1.356 CNC(=O)CCCNC1CCC1 2230a_100000749019_100000741757 [0,1,0,1,0,0|1,0,0]=3 22664 B12R1.356 CNC(=O)CCCNC1CCC1 270004a_100000740002_100000241760 [0,1,0,1,0,0|1,0,0]=3 22665 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000740002_100000749161 [0,1,0,1,0,0|1,0,0]=3 22666 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000749019_100000741757 [0,1,0,1,0,0|1,0,0]=3 22667 B12R1.356 CNC(=O)CCCNC1COC1 2230a_100016991112_100000741757 [0,1,0,1,0,0|2,0,0]=4 22668 B12R1.356 CNC(=O)CCCNC1COC1 34a_100000740002_100009818527 [0,1,0,1,0,0|2,0,0]=4 22669 B12R1.356 CNC(=O)CCCOC1CCC1 34a_100000748187_100000741757 [0,1,0,1,0,0|1,0,0]=3 22670 B12R1.356 CNC(=O)CCCOC1CSC1 7a_100000072292_100000741757 [0,1,0,1,0,0|2,0,0]=4 22671 B12R1.356 CNC(=O)CCCSC1CCC1 62a_100000741757_100000749161 [0,1,0,1,0,0|1,0,0]=3 22672 B12R1.356 CNC(=O)CCCSC1COC1 62a_100000741757_100009818527 [0,1,0,1,0,0|2,0,0]=4 22673 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738227_100000763275 [0,1,0,1,0,0|1,0,0]=3 22674 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738700_100000737683 [0,1,0,1,0,0|1,0,0]=3 22675 B12R1.356 CNC(=O)CCNCC1CCC1 269862a_100000738227_100000753134 [0,1,0,1,0,0|1,0,0]=3 22676 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738227_100000763275 [0,1,0,1,0,0|1,0,0]=3 22677 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738700_100012179268 [0,1,0,1,0,0|1,0,0]=3 22678 B12R1.356 CNC(=O)CCNCC1CCO1 2230a_100000738227_100000103362 [0,1,0,1,0,0|2,0,0]=4 22679 B12R1.356 CNC(=O)CCNCC1CCO1 34a_100000738227_100000103362 [0,1,0,1,0,0|2,0,0]=4 22680 B12R1.356 CNC(=O)CCNCC1COC1 2230a_100000738227_100010264016 [0,1,0,1,0,0|2,0,0]=4 22681 B12R1.356 CNC(=O)CCNCC1COC1 2230a_100015281925_100000737683 [0,1,0,1,0,0|2,0,0]=4 22682 B12R1.356 CNC(=O)CCNCC1COC1 34a_100000738227_100010264016 [0,1,0,1,0,0|2,0,0]=4 22683 B12R1.356 CNC(=O)CCNCC1COC1 34a_100015281925_100012179268 [0,1,0,1,0,0|2,0,0]=4 22684 B12R1.356 CNC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000737683 [0,1,0,1,0,0|2,0,0]=4 22685 B12R1.356 CNC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100012179268 [0,1,0,1,0,0|2,0,0]=4 22686 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000754576_100000763275 [0,1,0,1,0,0|1,0,0]=3 22687 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000760304_100012179268 [0,1,0,1,0,0|1,0,0]=3 22688 B12R1.356 CNC(=O)CCOCC1CCO1 34a_100000039022_100012179268 [0,1,0,1,0,0|2,0,0]=4 22689 B12R1.356 CNC(=O)CCOCC1CCO1 34a_100000754576_100000103362 [0,1,0,1,0,0|2,0,0]=4 22690 B12R1.356 CNC(=O)CCOCC1CNC1 34a_100016987283_100012179268 [0,1,0,1,0,0|2,0,0]=4 22691 B12R1.356 CNC(=O)CCOCC1COC1 34a_100000060846_100012179268 [0,1,0,1,0,0|2,0,0]=4 22692 B12R1.356 CNC(=O)CCOCC1COC1 34a_100000754576_100010264016 [0,1,0,1,0,0|2,0,0]=4 22693 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000737683_100000763275 [0,1,0,1,0,0|1,0,0]=3 22694 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000763275_100000737683 [0,1,0,1,0,0|1,0,0]=3 22695 B12R1.356 CNC(=O)CCSCC1CCO1 62a_100000103362_100000737683 [0,1,0,1,0,0|2,0,0]=4 22696 B12R1.356 CNC(=O)CCSCC1CCO1 62a_100000737683_100000103362 [0,1,0,1,0,0|2,0,0]=4 22697 B12R1.356 CNC(=O)CCSCC1COC1 62a_100000737683_100010264016 [0,1,0,1,0,0|2,0,0]=4 22698 B12R1.356 CNC(=O)CCSCC1COC1 62a_100010264016_100000737683 [0,1,0,1,0,0|2,0,0]=4 22699 B12R1.356 CNC(=O)COCCC1COC1 34a_100009855314_100000183359 [0,1,0,1,0,0|2,0,0]=4 22700 B12R1.356 CNC(=O)NCCNC1CCC1 34a_100015205895_100000749161 [0,1,0,1,0,0|2,0,0]=4 22701 B12R1.356 CNC(=O)OCCNC1CCC1 34a_100000749019_200011997002 [0,1,0,1,0,0|2,0,0]=4 22702 B12R1.356 CNC(=O)OCCOC1CCC1 34a_100000748187_200011997002 [0,1,0,1,0,0|2,0,0]=4 22703 B12R1.356 CNC(=O)OCCSC1CCC1 62a_200011997002_100000749161 [0,1,0,1,0,0|2,0,0]=4 22704 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,1,0,1,0,0|1,0,0]=3 22705 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [0,1,0,1,0,0|1,0,0]=3 22706 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [0,1,0,1,0,0|1,0,0]=3 22707 B12R1.356 COC(=O)CCCNC1COC1 2230a_100016991112_100011218270 [0,1,0,1,0,0|2,0,0]=4 22708 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,1,0,1,0,0|1,0,0]=3 22709 B12R1.356 COC(=O)CCCOC1CSC1 7a_100000072292_100011218270 [0,1,0,1,0,0|2,0,0]=4 22710 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [0,1,0,1,0,0|1,0,0]=3 22711 B12R1.356 COC(=O)CCCSC1COC1 62a_100011218270_100009818527 [0,1,0,1,0,0|2,0,0]=4 22712 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [0,1,0,1,0,0|1,0,0]=3 22713 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [0,1,0,1,0,0|1,0,0]=3 22714 B12R1.356 COC(=O)CCNCC1COC1 2230a_100015281925_100000204255 [0,1,0,1,0,0|2,0,0]=4 22715 B12R1.356 COC(=O)CCNCC1COC1 34a_100015281925_100000742370 [0,1,0,1,0,0|2,0,0]=4 22716 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000204255 [0,1,0,1,0,0|2,0,0]=4 22717 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000742370 [0,1,0,1,0,0|2,0,0]=4 22718 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,1,0,1,0,0|1,0,0]=3 22719 B12R1.356 COC(=O)CCOCC1CCO1 34a_100000039022_100000742370 [0,1,0,1,0,0|2,0,0]=4 22720 B12R1.356 COC(=O)CCOCC1CNC1 34a_100016987283_100000742370 [0,1,0,1,0,0|2,0,0]=4 22721 B12R1.356 COC(=O)CCOCC1COC1 34a_100000060846_100000742370 [0,1,0,1,0,0|2,0,0]=4 22722 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [0,1,0,1,0,0|1,0,0]=3 22723 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [0,1,0,1,0,0|1,0,0]=3 22724 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000103362_100000204255 [0,1,0,1,0,0|2,0,0]=4 22725 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000204255_100000103362 [0,1,0,1,0,0|2,0,0]=4 22726 B12R1.356 COC(=O)CCSCC1COC1 62a_100000204255_100010264016 [0,1,0,1,0,0|2,0,0]=4 22727 B12R1.356 COC(=O)CCSCC1COC1 62a_100010264016_100000204255 [0,1,0,1,0,0|2,0,0]=4 22728 B12R1.356 COC(=O)COCCC1COC1 34a_100009855314_100000747449 [0,1,0,1,0,0|2,0,0]=4 22729 B12R1.356 COC(=O)NCCOC1CCC1 34a_100000757965_100000749161 [0,1,0,1,0,0|2,0,0]=4 22730 B12R1.356 COC(=O)OCCOC1CCC1 34a_100010262106_100000749161 [0,1,0,1,0,0|2,0,0]=4 22731 B12R1.356 COC(=O)OCSCC1CCC1 62a_100000763275_100000139417 [0,1,0,1,0,0|2,0,0]=4 22732 B12R1.356 NNC(=O)CCCOC1CCC1 34a_100000211488_100000749161 [0,1,0,1,0,0|2,0,0]=4 22733 B12R1.360 CCC(=O)COCC#CC1CC1 34a_100000725409_100009895102 [0,1,0,1,0,0|0,0,2]=4 22734 B12R1.360 CCC(=O)COCC#CC1CC1 7a_100000083941_100000747405 [0,1,0,1,0,0|0,0,2]=4 22735 B12R1.360 CCC(=O)COCCCC1CO1 34a_100000725409_100000733510 [0,1,0,1,0,0|1,0,0]=3 22736 B12R1.360 CCC(=O)CSCC#CC1CC1 62a_100000747405_100009895102 [0,1,0,1,0,0|0,0,2]=4 22737 B12R1.360 CCC(=O)CSCC#CC1CC1 62a_100009895102_100000747405 [0,1,0,1,0,0|0,0,2]=4 22738 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000733510_100000747405 [0,1,0,1,0,0|1,0,0]=3 22739 B12R1.360 CCC(=O)CSCCCC1CO1 62a_100000747405_100000733510 [0,1,0,1,0,0|1,0,0]=3 22740 B12R1.360 CCC(=O)NCCNCC1CC1 269862a_100132302217_100000741477 [0,1,0,1,0,0|1,0,0]=3 22741 B12R1.360 CCC(=O)NCCNCC1CC1 34a_100132302217_100000742324 [0,1,0,1,0,0|1,0,0]=3 22742 B12R1.360 CCC(=O)NCCNCC1CO1 34a_100132302217_102125554688 [0,1,0,1,0,0|2,0,0]=4 22743 B12R1.360 CCC(=O)NCCOCC1CC1 34a_200000158885_100000742324 [0,1,0,1,0,0|1,0,0]=3 22744 B12R1.360 CCC(=O)NCCOCC1CC1 7a_200000158885_100000742324 [0,1,0,1,0,0|1,0,0]=3 22745 B12R1.360 CCC(=O)NCCOCC1CO1 34a_200000158885_102125554688 [0,1,0,1,0,0|2,0,0]=4 22746 B12R1.360 CCC(=O)NCCOCC1CO1 7a_200000158885_102125554688 [0,1,0,1,0,0|2,0,0]=4 22747 B12R1.360 CCC(=O)NCCOCC1CS1 7a_200000158885_100000031435 [0,1,0,1,0,0|2,0,0]=4 22748 B12R1.360 CCC(=O)NCCOC[C@@H]1CO1 7a_200000158885_100000745022 [0,1,0,1,0,0|2,0,0]=4 22749 B12R1.360 CCC(=O)OCCOCC1CC1 7a_200000031056_100000742324 [0,1,0,1,0,0|1,0,0]=3 22750 B12R1.360 CCC(=O)OCCOCC1CO1 7a_200000031056_102125554688 [0,1,0,1,0,0|2,0,0]=4 22751 B12R1.360 CCC(=O)OCCOCC1CS1 7a_200000031056_100000031435 [0,1,0,1,0,0|2,0,0]=4 22752 B12R1.360 CCC(=O)OCCOC[C@@H]1CO1 7a_200000031056_100000745022 [0,1,0,1,0,0|2,0,0]=4 22753 B12R1.360 CCC(C)CCCOCC1CC1 7a_100011216074_100000742324 [0,1,0,1,0,0|1,0,1]=4 22754 B12R1.360 CCC(C)CCNCCC1CC1 2230a_100020591266_100000694398 [0,1,0,1,0,0|1,0,1]=4 22755 B12R1.360 CCC(C)CCOCCC1CC1 7a_100011215188_100000764125 [0,1,0,1,0,0|1,0,1]=4 22756 B12R1.360 CCN(C)CCCNCC1CC1 2230a_100000735609_100015186262 [0,1,0,1,0,0|2,0,0]=4 22757 B12R1.360 CCN(C)CCCSCC1CC1 62a_100000756562_100015186262 [0,1,0,1,0,0|2,0,0]=4 22758 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000735609_100000741757 [0,1,0,1,0,0|1,0,0]=3 22759 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000740002_100000742324 [0,1,0,1,0,0|1,0,0]=3 22760 B12R1.360 CNC(=O)CCCNCC1CC1 269862a_100000740002_100000741477 [0,1,0,1,0,0|1,0,0]=3 22761 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000735609_100000741757 [0,1,0,1,0,0|1,0,0]=3 22762 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000740002_100000742324 [0,1,0,1,0,0|1,0,0]=3 22763 B12R1.360 CNC(=O)CCCNCC1CO1 2230a_100000740002_100011216344 [0,1,0,1,0,0|2,0,0]=4 22764 B12R1.360 CNC(=O)CCCNCC1CO1 34a_100000740002_102125554688 [0,1,0,1,0,0|2,0,0]=4 22765 B12R1.360 CNC(=O)CCCOCC1CC1 34a_100000211283_100000741757 [0,1,0,1,0,0|1,0,0]=3 22766 B12R1.360 CNC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000741757 [0,1,0,1,0,0|2,0,0]=4 22767 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000741757_100000742324 [0,1,0,1,0,0|1,0,0]=3 22768 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000756562_100000741757 [0,1,0,1,0,0|1,0,0]=3 22769 B12R1.360 CNC(=O)CCCSCC1CO1 62a_100000741757_102125554688 [0,1,0,1,0,0|2,0,0]=4 22770 B12R1.360 CNC(=O)CCCSCC1CO1 62a_102125554688_100000741757 [0,1,0,1,0,0|2,0,0]=4 22771 B12R1.360 CNC(=O)CCCSCC1CS1 62a_100000031435_100000741757 [0,1,0,1,0,0|2,0,0]=4 22772 B12R1.360 CNC(=O)CCCSCC1CS1 62a_100000741757_100000031435 [0,1,0,1,0,0|2,0,0]=4 22773 B12R1.360 CNC(=O)CCCSC[C@@H]1CO1 62a_100000741757_100000745022 [0,1,0,1,0,0|2,0,0]=4 22774 B12R1.360 CNC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100000741757 [0,1,0,1,0,0|2,0,0]=4 22775 B12R1.360 CNC(=O)CCNCCC1CC1 2230a_100000738227_100000694398 [0,1,0,1,0,0|1,0,0]=3 22776 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000738227_100000694398 [0,1,0,1,0,0|1,0,0]=3 22777 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000764129_100012179268 [0,1,0,1,0,0|1,0,0]=3 22778 B12R1.360 CNC(=O)CCNCCC1CO1 2230a_100000738227_100000732470 [0,1,0,1,0,0|2,0,0]=4 22779 B12R1.360 CNC(=O)CCNCCC1CO1 34a_100000738227_100000732470 [0,1,0,1,0,0|2,0,0]=4 22780 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754188_100012179268 [0,1,0,1,0,0|1,0,0]=3 22781 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754576_100000694398 [0,1,0,1,0,0|1,0,0]=3 22782 B12R1.360 CNC(=O)CCOCCC1CC1 7a_100000754188_100000737683 [0,1,0,1,0,0|1,0,0]=3 22783 B12R1.360 CNC(=O)CCOCCC1CO1 34a_100000754576_100000732470 [0,1,0,1,0,0|2,0,0]=4 22784 B12R1.360 CNC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100012179268 [0,1,0,1,0,0|2,0,0]=4 22785 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000737683_100000764125 [0,1,0,1,0,0|1,0,0]=3 22786 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000764125_100000737683 [0,1,0,1,0,0|1,0,0]=3 22787 B12R1.360 CNC(=O)CCSCCC1CO1 62a_100000732470_100000737683 [0,1,0,1,0,0|2,0,0]=4 22788 B12R1.360 CNC(=O)CCSCCC1CO1 62a_100000737683_100000732470 [0,1,0,1,0,0|2,0,0]=4 22789 B12R1.360 CNC(=O)CNCCCC1CO1 2230a_100000693194_100000733510 [0,1,0,1,0,0|2,0,0]=4 22790 B12R1.360 CNC(=O)COCCCC1CO1 34a_100000750040_100000733510 [0,1,0,1,0,0|2,0,0]=4 22791 B12R1.360 CNC(=O)COCCNC1CC1 34a_100000738766_100000183359 [0,1,0,1,0,0|2,0,0]=4 22792 B12R1.360 CNC(=O)CSCCCC1CO1 62a_100000183359_100000733510 [0,1,0,1,0,0|2,0,0]=4 22793 B12R1.360 CNC(=O)CSCCCC1CO1 62a_100000733510_100000183359 [0,1,0,1,0,0|2,0,0]=4 22794 B12R1.360 CNC(=O)NCCNCC1CC1 269862a_100015205895_100000741477 [0,1,0,1,0,0|2,0,0]=4 22795 B12R1.360 CNC(=O)NCCNCC1CC1 34a_100015205895_100000742324 [0,1,0,1,0,0|2,0,0]=4 22796 B12R1.360 CNC(=O)OCCNCC1CC1 34a_100000735609_200011997002 [0,1,0,1,0,0|2,0,0]=4 22797 B12R1.360 CNC(=O)OCCOCC1CC1 34a_100000211283_200011997002 [0,1,0,1,0,0|2,0,0]=4 22798 B12R1.360 CNC(=O)OCCSCC1CC1 62a_100000756562_200011997002 [0,1,0,1,0,0|2,0,0]=4 22799 B12R1.360 CNC(=O)OCCSCC1CC1 62a_200011997002_100000742324 [0,1,0,1,0,0|2,0,0]=4 22800 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [0,1,0,1,0,0|1,0,0]=3 22801 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [0,1,0,1,0,0|1,0,0]=3 22802 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [0,1,0,1,0,0|1,0,0]=3 22803 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [0,1,0,1,0,0|1,0,0]=3 22804 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [0,1,0,1,0,0|1,0,0]=3 22805 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,1,0,1,0,0|1,0,0]=3 22806 B12R1.360 COC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000742333 [0,1,0,1,0,0|2,0,0]=4 22807 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [0,1,0,1,0,0|1,0,0]=3 22808 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [0,1,0,1,0,0|1,0,0]=3 22809 B12R1.360 COC(=O)CCCSCC1CO1 62a_100011218270_102125554688 [0,1,0,1,0,0|2,0,0]=4 22810 B12R1.360 COC(=O)CCCSCC1CO1 62a_102125554688_100011218270 [0,1,0,1,0,0|2,0,0]=4 22811 B12R1.360 COC(=O)CCCSCC1CS1 62a_100000031435_100011218270 [0,1,0,1,0,0|2,0,0]=4 22812 B12R1.360 COC(=O)CCCSCC1CS1 62a_100011218270_100000031435 [0,1,0,1,0,0|2,0,0]=4 22813 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011218270 [0,1,0,1,0,0|2,0,0]=4 22814 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100011218270_100000745022 [0,1,0,1,0,0|2,0,0]=4 22815 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [0,1,0,1,0,0|1,0,0]=3 22816 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,1,0,1,0,0|1,0,0]=3 22817 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,1,0,1,0,0|1,0,0]=3 22818 B12R1.360 COC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000742370 [0,1,0,1,0,0|2,0,0]=4 22819 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [0,1,0,1,0,0|1,0,0]=3 22820 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [0,1,0,1,0,0|1,0,0]=3 22821 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000204255_100000732470 [0,1,0,1,0,0|2,0,0]=4 22822 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000732470_100000204255 [0,1,0,1,0,0|2,0,0]=4 22823 B12R1.360 COC(=O)COCCNC1CC1 34a_100000212008_100000090808 [0,1,0,1,0,0|2,0,0]=4 22824 B12R1.360 COC(=O)COCCNC1CC1 34a_100000738766_100000747449 [0,1,0,1,0,0|2,0,0]=4 22825 B12R1.360 COC(=O)COCCSC1CC1 62a_100000090808_100000211595 [0,1,0,1,0,0|2,0,0]=4 22826 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000733510_100000747449 [0,1,0,1,0,0|2,0,0]=4 22827 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000747449_100000733510 [0,1,0,1,0,0|2,0,0]=4 22828 B12R1.360 COC(=O)NCCOCC1CC1 34a_100000757965_100000742324 [0,1,0,1,0,0|2,0,0]=4 22829 B12R1.360 COC(=O)OCCOCC1CC1 34a_100010262106_100000742324 [0,1,0,1,0,0|2,0,0]=4 22830 B12R1.360 COC(=O)OCSCCC1CC1 62a_100000764125_100000139417 [0,1,0,1,0,0|2,0,0]=4 22831 B12R1.360 NNC(=O)CCCOCC1CC1 34a_100000211488_100000742324 [0,1,0,1,0,0|2,0,0]=4 22832 B12R1.364 CC(CF)OCCC1CCC1=O 7a_100016041109_200016118888 [0,1,0,1,0,0|2,0,0]=4 22833 B12R1.364 CC(CO)CCNC1CCC1=O 34a_106354213184_100009892977 [0,1,0,1,0,0|2,0,0]=4 22834 B12R1.364 CC(CO)SCCC1CCC1=O 62a_100012180447_200016118888 [0,1,0,1,0,0|2,0,0]=4 22835 B12R1.364 CCC(C)CCOC1CCC1=O 7a_100011215188_100009892977 [0,1,0,1,0,0|1,0,0]=3 22836 B12R1.364 CCC(C)NCCC1CCC1=O 2230a_100000209981_200016118888 [0,1,0,1,0,0|1,0,0]=3 22837 B12R1.364 CCC(C)OCCC1CCC1=O 7a_100000210228_200016118888 [0,1,0,1,0,0|1,0,0]=3 22838 B12R1.364 CCC(C)SCCC1CCC1=O 62a_100000758301_200016118888 [0,1,0,1,0,0|1,0,0]=3 22839 B12R1.364 CCC(C)SCCC1CCC1=O 62a_200016118888_100000758301 [0,1,0,1,0,0|1,0,0]=3 22840 B12R1.364 CCN(C)CCCN1CCC1C 269982a_100000755817_100015186262 [0,1,0,1,0,0|2,0,0]=4 22841 B12R1.364 CNC(=O)CCCN1CCC1C 269982a_100000755817_100000741757 [0,1,0,1,0,0|1,0,0]=3 22842 B12R1.364 CNC(=O)CCCN1CCC1C 34a_100000755817_100000741757 [0,1,0,1,0,0|1,0,0]=3 22843 B12R1.364 CNC(=O)OCCN1CCC1C 269982a_100000755817_200011997002 [0,1,0,1,0,0|2,0,0]=4 22844 B12R1.364 CNC(=O)OCCN1CCC1C 34a_100000755817_200011997002 [0,1,0,1,0,0|2,0,0]=4 22845 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [0,1,0,1,0,0|1,0,0]=3 22846 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [0,1,0,1,0,0|1,0,0]=3 22847 B12R1.364 COC(C)CCOC1CCC1=O 7a_100000764861_100009892977 [0,1,0,1,0,0|2,0,0]=4 22848 B12R1.364 COC(C)SCCC1CCC1=O 62a_100009879195_200016118888 [0,1,0,1,0,0|2,0,0]=4 22849 B12R1.364 COC(C)SCCC1CCC1=O 62a_200016118888_100009879195 [0,1,0,1,0,0|2,0,0]=4 22850 B12R1.364 C[C@H](CO)NCCC1CCC1=O 2230a_100000737577_200016118888 [0,1,0,1,0,0|2,0,0]=4 22851 B12R1.364 C[C@H](CO)SCCC1CCC1=O 62a_100016084084_200016118888 [0,1,0,1,0,0|2,0,0]=4 22852 B12R1.364 C[C@H](CO)SCCC1CCC1=O 62a_200016118888_100016084084 [0,1,0,1,0,0|2,0,0]=4 22853 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [0,1,0,1,0,0|0,0,1]=3 22854 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,1,0,1,0,0|0,0,0]=2 22855 B12R1.365 CCC(=O)C1CCCCNC1=O 1458a_100000210414_100000735217 [0,1,0,1,0,0|1,0,1]=4 22856 B12R1.365 CN1CCCCCC1C(=O)CF 1458a_100015187800_100015361967 [0,1,0,1,0,0|1,0,0]=3 22857 B12R1.365 CNC(=O)C1CCCCCN1C 240690a_100102657272_100015187800 [0,1,0,1,0,0|1,0,0]=3 22858 B12R1.365 CNC(=O)C1CCCCCN1C 527a_100102657272_100015187800 [0,1,0,1,0,0|1,0,0]=3 22859 B12R1.365 O=C(CO)C1CCCCCC1=O 1458a_100000210174_100000243696 [0,1,0,1,0,0|1,0,1]=4 22860 B12R1.371 C#CC(=O)CC1CCCCN1C 1458a_100000211873_100015185383 [0,1,0,1,0,0|0,0,2]=4 22861 B12R1.371 C=CC(=O)CC1CCCCN1C 1458a_100000185746_100015185383 [0,1,0,1,0,0|0,0,2]=4 22862 B12R1.371 C=CC(=O)NC1CCCCC1C 1626a_100000211402_100000185746 [0,1,0,1,0,0|0,0,2]=4 22863 B12R1.371 C=CC(=O)NC1CCCCC1C 240690a_100000211402_200121576911 [0,1,0,1,0,0|0,0,2]=4 22864 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,1,0,1,0,0|1,0,0]=3 22865 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,1,0,1,0,0|1,0,0]=3 22866 B12R1.371 CCC(=O)CC1CCCCN1C 1458a_100000210414_100015185383 [0,1,0,1,0,0|0,0,0]=2 22867 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,1,0,1,0,0|0,0,0]=2 22868 B12R1.371 CCC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747405 [0,1,0,1,0,0|1,0,0]=3 22869 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,1,0,1,0,0|0,0,0]=2 22870 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,1,0,1,0,0|0,0,0]=2 22871 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,1,0,1,0,0|0,0,0]=2 22872 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,1,0,1,0,0|0,0,0]=2 22873 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210414 [0,1,0,1,0,0|1,0,0]=3 22874 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210414 [0,1,0,1,0,0|1,0,0]=3 22875 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000210414 [0,1,0,1,0,0|1,0,0]=3 22876 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000210414 [0,1,0,1,0,0|1,0,0]=3 22877 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210414 [0,1,0,1,0,0|1,0,0]=3 22878 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210414 [0,1,0,1,0,0|1,0,0]=3 22879 B12R1.371 CCC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100000210414 [0,1,0,1,0,0|2,0,0]=4 22880 B12R1.371 CCC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100000210414 [0,1,0,1,0,0|2,0,0]=4 22881 B12R1.371 CCC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100000210414 [0,1,0,1,0,0|2,0,0]=4 22882 B12R1.371 CCC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100000210414 [0,1,0,1,0,0|2,0,0]=4 22883 B12R1.371 CCC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100000210414 [0,1,0,1,0,0|2,0,0]=4 22884 B12R1.371 CCC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100000210414 [0,1,0,1,0,0|2,0,0]=4 22885 B12R1.371 CCC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100000210414 [0,1,0,1,0,0|2,0,0]=4 22886 B12R1.371 CCC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100000210414 [0,1,0,1,0,0|2,0,0]=4 22887 B12R1.371 CCC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100000210414 [0,1,0,1,0,0|2,0,0]=4 22888 B12R1.371 CCC(C)CN1CCCCC1C 2230a_100000211376_100000748023 [0,1,0,1,0,0|1,0,1]=4 22889 B12R1.371 CCC(C)CN1CCCCC1C 269982a_100000211376_100000748023 [0,1,0,1,0,0|1,0,1]=4 22890 B12R1.371 CCC(C)CN1CCCCC1C 270004a_100000211376_100000243153 [0,1,0,1,0,0|1,0,1]=4 22891 B12R1.371 CCC(C)CN1CCCCC1C 34a_100000211376_100000748023 [0,1,0,1,0,0|1,0,1]=4 22892 B12R1.371 CCC(C)NC1CCCCC1C 2230a_100000211402_100000758301 [0,1,0,1,0,0|1,0,1]=4 22893 B12R1.371 CCC(C)NC1CCCCC1C 269862a_100000209981_100000210921 [0,1,0,1,0,0|1,0,1]=4 22894 B12R1.371 CCC(C)NC1CCCCC1C 270004a_100000209981_100000210921 [0,1,0,1,0,0|1,0,1]=4 22895 B12R1.371 CCC(C)NC1CCCCC1C 34a_100000211402_100011215416 [0,1,0,1,0,0|1,0,1]=4 22896 B12R1.371 CCC(C)OC1CCCCC1C 34a_100000211207_100011215416 [0,1,0,1,0,0|1,0,1]=4 22897 B12R1.371 CCC(C)OC1CCCCC1C 7a_100000211207_100000758301 [0,1,0,1,0,0|1,0,1]=4 22898 B12R1.371 CCC(O)CN1CCCCC1C 2230a_100000211376_100011218378 [0,1,0,1,0,0|0,0,2]=4 22899 B12R1.371 CCC(O)CN1CCCCC1C 269982a_100000211376_100011218378 [0,1,0,1,0,0|0,0,2]=4 22900 B12R1.371 CCC(O)CN1CCCCC1C 34a_100000211376_100011218378 [0,1,0,1,0,0|0,0,2]=4 22901 B12R1.371 CCN(C)CC1CCCCN1C 2230a_100015185953_100000210202 [0,1,0,1,0,0|2,0,0]=4 22902 B12R1.371 CCN(C)CC1CCCCN1C 269982a_100000225621_100015185383 [0,1,0,1,0,0|2,0,0]=4 22903 B12R1.371 CCN(C)CC1CCCCN1C 269982a_100015185953_100000204670 [0,1,0,1,0,0|2,0,0]=4 22904 B12R1.371 CC[C@H](C)CN1CCCCC1C 2230a_100000211376_100009816398 [0,1,0,1,0,0|1,0,1]=4 22905 B12R1.371 CC[C@H](C)CN1CCCCC1C 269982a_100000211376_100009816398 [0,1,0,1,0,0|1,0,1]=4 22906 B12R1.371 CC[C@H](C)CN1CCCCC1C 34a_100000211376_100009816398 [0,1,0,1,0,0|1,0,1]=4 22907 B12R1.371 CN1CCCCC1CC(=O)CO 1458a_100000210174_100015185383 [0,1,0,1,0,0|1,0,0]=3 22908 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 22909 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 22910 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [0,1,0,1,0,0|1,0,0]=3 22911 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 22912 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 22913 B12R1.371 CNC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000183359 [0,1,0,1,0,0|2,0,0]=4 22914 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,1,0,1,0,0|1,0,0]=3 22915 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,1,0,1,0,0|1,0,0]=3 22916 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,1,0,1,0,0|1,0,0]=3 22917 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,1,0,1,0,0|1,0,0]=3 22918 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,1,0,1,0,0|1,0,0]=3 22919 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,1,0,1,0,0|1,0,0]=3 22920 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100102657272_100015191688 [0,1,0,1,0,0|2,0,0]=4 22921 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100102657272_100015191688 [0,1,0,1,0,0|2,0,0]=4 22922 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_106832991635 [0,1,0,1,0,0|2,0,0]=4 22923 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100102657272_100015195156 [0,1,0,1,0,0|2,0,0]=4 22924 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100102657272 [0,1,0,1,0,0|2,0,0]=4 22925 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100102657272_100015195156 [0,1,0,1,0,0|2,0,0]=4 22926 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100102657272 [0,1,0,1,0,0|2,0,0]=4 22927 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_106832991638_100015195156 [0,1,0,1,0,0|2,0,0]=4 22928 B12R1.371 COC(=O)CC1COCCN1C 2230a_100000731486_200000210301 [0,1,0,1,0,0|2,0,0]=4 22929 B12R1.371 COC(=O)CC1COCCN1C 34a_100000731486_200000210301 [0,1,0,1,0,0|2,0,0]=4 22930 B12R1.371 COC(=O)CC1COCCN1[13CH3] 2230a_100000731486_200025704644 [0,1,0,1,0,0|2,0,0]=4 22931 B12R1.371 COC(=O)CC1COCCN1[13CH3] 34a_100000731486_200025704644 [0,1,0,1,0,0|2,0,0]=4 22932 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,1,0,1,0,0|1,0,0]=3 22933 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,1,0,1,0,0|1,0,0]=3 22934 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,1,0,1,0,0|1,0,0]=3 22935 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747449 [0,1,0,1,0,0|2,0,0]=4 22936 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747449 [0,1,0,1,0,0|2,0,0]=4 22937 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000747449 [0,1,0,1,0,0|2,0,0]=4 22938 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210174 [0,1,0,1,0,0|2,0,0]=4 22939 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210174 [0,1,0,1,0,0|2,0,0]=4 22940 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210174 [0,1,0,1,0,0|2,0,0]=4 22941 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210174 [0,1,0,1,0,0|2,0,0]=4 22942 B12R1.382 CCCNC1CCCC(C1)CC 270004a_100020643023_100000756783 [0,1,0,1,0,0|1,0,1]=4 22943 B12R1.382 CCCN[C@@H]1CCCN(C1)CC 2230a_100025775482_100000210303 [0,1,0,1,0,0|2,0,0]=4 22944 B12R1.382 CCCOC1CCCC(C1)CC 7a_100011985506_100000210303 [0,1,0,1,0,0|1,0,1]=4 22945 B12R1.382 CCCOC1CCCN(C1)CC 2230a_100000743837_100000210202 [0,1,0,1,0,0|2,0,0]=4 22946 B12R1.382 CCCOC1CCCN(C1)CC 269982a_100000743837_100000204670 [0,1,0,1,0,0|2,0,0]=4 22947 B12R1.382 CCCOC1CCCN(C1)CC 34a_100000743837_100000210202 [0,1,0,1,0,0|2,0,0]=4 22948 B12R1.382 CCN1CCCC(C1)CCCO 2230a_100150707839_100000210202 [0,1,0,1,0,0|2,0,0]=4 22949 B12R1.382 CCN1CCCC(C1)CCCO 269982a_100150707839_100000204670 [0,1,0,1,0,0|2,0,0]=4 22950 B12R1.382 CCN1CCCC(C1)CCCO 34a_100150707839_100000210202 [0,1,0,1,0,0|2,0,0]=4 22951 B12R1.382 CCN1CCCC(C1)CCOC 2230a_100011653411_100000210202 [0,1,0,1,0,0|2,0,0]=4 22952 B12R1.382 CCN1CCCC(C1)CCOC 269982a_100011653411_100000204670 [0,1,0,1,0,0|2,0,0]=4 22953 B12R1.382 CCN1CCCC(C1)CCOC 34a_100011653411_100000210202 [0,1,0,1,0,0|2,0,0]=4 22954 B12R1.382 CCNCC1CCCN(C1)CC 2230a_100000747413_100000210202 [0,1,0,1,0,0|2,0,0]=4 22955 B12R1.382 CCOCC1CCCN(C1)CC 7a_200000227639_100000210202 [0,1,0,1,0,0|2,0,0]=4 22956 B12R1.383 C#CCCCCNC1CCC1=O 34a_100000706060_100009892977 [0,1,0,1,0,0|0,0,2]=4 22957 B12R1.383 C#CCCCCOC1CCC1=O 34a_100000766709_100009892977 [0,1,0,1,0,0|0,0,2]=4 22958 B12R1.383 C#CCCCCOC1CCC1=O 7a_100000766709_100009892977 [0,1,0,1,0,0|0,0,2]=4 22959 B12R1.383 C#CCCCCSC1CCC1=O 62a_100009892977_100010269958 [0,1,0,1,0,0|0,0,2]=4 22960 B12R1.383 C#CCCCCSC1CCC1=O 62a_100010269958_100009892977 [0,1,0,1,0,0|0,0,2]=4 22961 B12R1.383 C#CCCSCCC1CCC1=O 62a_100000688953_200016118888 [0,1,0,1,0,0|0,0,2]=4 22962 B12R1.383 C#CCCSCCC1CCC1=O 62a_200016118888_100000688953 [0,1,0,1,0,0|0,0,2]=4 22963 B12R1.383 C/C=C/CSCCC1CCC1=O 62a_100102629194_200016118888 [0,1,0,1,0,0|0,0,2]=4 22964 B12R1.383 C/C=C/CSCCC1CCC1=O 62a_200016118888_100102629194 [0,1,0,1,0,0|0,0,2]=4 22965 B12R1.383 C=CCCCCNC1CCC1=O 34a_100000703577_100009892977 [0,1,0,1,0,0|0,0,2]=4 22966 B12R1.383 C=CCCCCOC1CCC1=O 34a_100000766645_100009892977 [0,1,0,1,0,0|0,0,2]=4 22967 B12R1.383 C=CCCCCOC1CCC1=O 7a_100000766645_100009892977 [0,1,0,1,0,0|0,0,2]=4 22968 B12R1.383 C=CCCCCSC1CCC1=O 62a_100009892977_100011215482 [0,1,0,1,0,0|0,0,2]=4 22969 B12R1.383 C=CCCCCSC1CCC1=O 62a_100011215482_100009892977 [0,1,0,1,0,0|0,0,2]=4 22970 B12R1.383 C=CCCNCCC1CCC1=O 2230a_100015191253_200016118888 [0,1,0,1,0,0|0,0,2]=4 22971 B12R1.383 C=CCCSCCC1CCC1=O 62a_100000754431_200016118888 [0,1,0,1,0,0|0,0,2]=4 22972 B12R1.383 C=CCCSCCC1CCC1=O 62a_200016118888_100000754431 [0,1,0,1,0,0|0,0,2]=4 22973 B12R1.383 CC#CCNCCC1CCC1=O 2230a_100000685387_200016118888 [0,1,0,1,0,0|0,0,2]=4 22974 B12R1.383 CC#CCSCCC1CCC1=O 62a_100000748600_200016118888 [0,1,0,1,0,0|0,0,2]=4 22975 B12R1.383 CC#CCSCCC1CCC1=O 62a_200016118888_100000748600 [0,1,0,1,0,0|0,0,2]=4 22976 B12R1.383 CC/C=C\CCOC1CCC1=O 34a_100016288707_100009892977 [0,1,0,1,0,0|0,0,2]=4 22977 B12R1.383 CC/C=C\CCOC1CCC1=O 7a_100016288707_100009892977 [0,1,0,1,0,0|0,0,2]=4 22978 B12R1.383 CC/C=C\CCSC1CCC1=O 62a_100009892977_100015370543 [0,1,0,1,0,0|0,0,2]=4 22979 B12R1.383 CC/C=C\CCSC1CCC1=O 62a_100015370543_100009892977 [0,1,0,1,0,0|0,0,2]=4 22980 B12R1.383 CC=CCCCOC1CCC1=O 34a_100020645299_100009892977 [0,1,0,1,0,0|0,0,2]=4 22981 B12R1.383 CC=CCSCCC1CCC1=O 62a_100000070051_200016118888 [0,1,0,1,0,0|0,0,2]=4 22982 B12R1.383 CC=CCSCCC1CCC1=O 62a_200016118888_100000070051 [0,1,0,1,0,0|0,0,2]=4 22983 B12R1.383 CCC#CCCOC1CCC1=O 34a_100000036655_100009892977 [0,1,0,1,0,0|0,0,2]=4 22984 B12R1.383 CCC#CCCOC1CCC1=O 7a_100000036655_100009892977 [0,1,0,1,0,0|0,0,2]=4 22985 B12R1.383 CCC/C=C/COC1CCC1=O 34a_100016278788_100009892977 [0,1,0,1,0,0|0,0,2]=4 22986 B12R1.383 CCC/C=C/COC1CCC1=O 7a_100016278788_100009892977 [0,1,0,1,0,0|0,0,2]=4 22987 B12R1.383 CCCC#CCOC1CCC1=O 34a_100000034806_100009892977 [0,1,0,1,0,0|0,0,2]=4 22988 B12R1.383 CCCC#CCOC1CCC1=O 7a_100000034806_100009892977 [0,1,0,1,0,0|0,0,2]=4 22989 B12R1.383 CCCCCCCN1CCC1C 269982a_100000755817_100000210681 [0,1,0,1,0,0|1,0,1]=4 22990 B12R1.383 CCCCCCCN1CCC1C 34a_100000755817_100000210614 [0,1,0,1,0,0|1,0,1]=4 22991 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|0,0,0]=2 22992 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|0,0,0]=2 22993 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,1,0,0|0,0,0]=2 22994 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,1,0,0|0,0,0]=2 22995 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,1,0,1,0,0|0,0,0]=2 22996 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,1,0,1,0,0|0,0,0]=2 22997 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,1,0,1,0,0|0,0,0]=2 22998 B12R1.383 CCCCOCSC1CCC1=O 62a_100009892977_100011995733 [0,1,0,1,0,0|1,0,0]=3 22999 B12R1.383 CCCCOCSC1CCC1=O 62a_100011995733_100009892977 [0,1,0,1,0,0|1,0,0]=3 23000 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,1,0,1,0,0|0,0,0]=2 23001 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,1,0,1,0,0|0,0,0]=2 23002 B12R1.383 CCCOCCNC1CCC1=O 34a_100161115042_100009892977 [0,1,0,1,0,0|1,0,0]=3 23003 B12R1.383 CCCOCCOC1CCC1=O 34a_100000752267_100009892977 [0,1,0,1,0,0|1,0,0]=3 23004 B12R1.383 CCCOCCOC1CCC1=O 7a_100000752267_100009892977 [0,1,0,1,0,0|1,0,0]=3 23005 B12R1.383 CCCOCCSC1CCC1=O 62a_100009892977_100011215938 [0,1,0,1,0,0|1,0,0]=3 23006 B12R1.383 CCCOCCSC1CCC1=O 62a_100011215938_100009892977 [0,1,0,1,0,0|1,0,0]=3 23007 B12R1.383 CCCSCCOC1CCC1=O 34a_200000230433_100009892977 [0,1,0,1,0,0|1,0,0]=3 23008 B12R1.383 CCCSCCOC1CCC1=O 7a_200000230433_100009892977 [0,1,0,1,0,0|1,0,0]=3 23009 B12R1.383 CCOCCCNC1CCC1=O 34a_100000210961_100009892977 [0,1,0,1,0,0|1,0,0]=3 23010 B12R1.383 CCOCCCOC1CCC1=O 34a_100000757476_100009892977 [0,1,0,1,0,0|1,0,0]=3 23011 B12R1.383 CCOCCCOC1CCC1=O 7a_100000757476_100009892977 [0,1,0,1,0,0|1,0,0]=3 23012 B12R1.383 CCOCCCSC1CCC1=O 62a_100009892977_100012232248 [0,1,0,1,0,0|1,0,0]=3 23013 B12R1.383 CCOCCCSC1CCC1=O 62a_100012232248_100009892977 [0,1,0,1,0,0|1,0,0]=3 23014 B12R1.383 CCOCSCCC1CCC1=O 62a_100000739092_200016118888 [0,1,0,1,0,0|1,0,0]=3 23015 B12R1.383 CCOCSCCC1CCC1=O 62a_200016118888_100000739092 [0,1,0,1,0,0|1,0,0]=3 23016 B12R1.383 CCSCCCOC1CCC1=O 34a_100011216438_100009892977 [0,1,0,1,0,0|1,0,0]=3 23017 B12R1.383 CCSCCCOC1CCC1=O 7a_100011216438_100009892977 [0,1,0,1,0,0|1,0,0]=3 23018 B12R1.383 COCCCCOC1CCC1=O 34a_100000740925_100009892977 [0,1,0,1,0,0|1,0,0]=3 23019 B12R1.383 COCCCCSC1CCC1=O 62a_100000730899_100009892977 [0,1,0,1,0,0|1,0,0]=3 23020 B12R1.383 COCCCCSC1CCC1=O 62a_100009892977_100000730899 [0,1,0,1,0,0|1,0,0]=3 23021 B12R1.383 COCCNCCC1CCC1=O 2230a_100000209980_200016118888 [0,1,0,1,0,0|1,0,0]=3 23022 B12R1.383 COCCOCSC1CCC1=O 62a_100000231047_100009892977 [0,1,0,1,0,0|2,0,0]=4 23023 B12R1.383 COCCOCSC1CCC1=O 62a_100009892977_100000231047 [0,1,0,1,0,0|2,0,0]=4 23024 B12R1.383 COCCSCCC1CCC1=O 62a_100000233755_200016118888 [0,1,0,1,0,0|1,0,0]=3 23025 B12R1.383 COCCSCCC1CCC1=O 62a_200016118888_100000233755 [0,1,0,1,0,0|1,0,0]=3 23026 B12R1.383 CSCCCCOC1CCC1=O 34a_100011217163_100009892977 [0,1,0,1,0,0|1,0,0]=3 23027 B12R1.383 CSCCCCOC1CCC1=O 7a_100011217163_100009892977 [0,1,0,1,0,0|1,0,0]=3 23028 B12R1.383 CSCCNCCC1CCC1=O 2230a_100020590264_200016118888 [0,1,0,1,0,0|1,0,0]=3 23029 B12R1.383 CSCCOCCC1CCC1=O 7a_100000230434_200016118888 [0,1,0,1,0,0|1,0,0]=3 23030 B12R1.383 CSCCSCCC1CCC1=O 62a_100000212216_200016118888 [0,1,0,1,0,0|1,0,0]=3 23031 B12R1.383 CSCCSCCC1CCC1=O 62a_200016118888_100000751147 [0,1,0,1,0,0|1,0,0]=3 23032 B12R1.383 N#CCCCCSC1CCC1=O 62a_100009892977_100000211819 [0,1,0,1,0,0|1,0,1]=4 23033 B12R1.383 N#CCCCCSC1CCC1=O 62a_100011219923_100009892977 [0,1,0,1,0,0|1,0,1]=4 23034 B12R1.383 N#CCCSCCC1CCC1=O 62a_100011215226_200016118888 [0,1,0,1,0,0|1,0,1]=4 23035 B12R1.383 N#CCCSCCC1CCC1=O 62a_200016118888_100011215226 [0,1,0,1,0,0|1,0,1]=4 23036 B12R1.383 NCCCCCOC1CCC1=O 34a_100000762737_100009892977 [0,1,0,1,0,0|1,0,0]=3 23037 B12R1.383 NCCOCCOC1CCC1=O 34a_100000211614_100009892977 [0,1,0,1,0,0|2,0,0]=4 23038 B12R1.383 O=C1CCC1CCNCCCF 2230a_100015189416_200016118888 [0,1,0,1,0,0|1,0,0]=3 23039 B12R1.383 O=C1CCC1CCSCCCF 62a_100011934791_200016118888 [0,1,0,1,0,0|1,0,0]=3 23040 B12R1.383 O=C1CCC1CCSCCCF 62a_200016118888_100011934791 [0,1,0,1,0,0|1,0,0]=3 23041 B12R1.383 O=C1CCC1CCSCCCO 62a_100011215043_200016118888 [0,1,0,1,0,0|1,0,0]=3 23042 B12R1.383 O=C1CCC1CCSCCCO 62a_200016118888_100011215043 [0,1,0,1,0,0|1,0,0]=3 23043 B12R1.383 O=C1CCC1NCCCCCO 34a_100000762737_100009892977 [0,1,0,1,0,0|1,0,0]=3 23044 B12R1.383 O=C1CCC1NCCOCCO 34a_100000211614_100009892977 [0,1,0,1,0,0|2,0,0]=4 23045 B12R1.383 O=C1CCC1OCCCCCBr 34a_100000746331_100009892977 [0,1,0,1,0,0|1,0,0]=3 23046 B12R1.383 O=C1CCC1OCCCCCBr 7a_100000746331_100009892977 [0,1,0,1,0,0|1,0,0]=3 23047 B12R1.383 O=C1CCC1OCCCCCCl 34a_100000746330_100009892977 [0,1,0,1,0,0|1,0,0]=3 23048 B12R1.383 O=C1CCC1OCCCCCCl 7a_100000746330_100009892977 [0,1,0,1,0,0|1,0,0]=3 23049 B12R1.383 O=C1CCC1OCCCCCI 34a_200012148887_100009892977 [0,1,0,1,0,0|1,0,0]=3 23050 B12R1.383 O=C1CCC1OCCCCCI 7a_200012148887_100009892977 [0,1,0,1,0,0|1,0,0]=3 23051 B12R1.383 O=C1CCC1OCCOCCBr 34a_100000692535_100009892977 [0,1,0,1,0,0|2,0,0]=4 23052 B12R1.383 O=C1CCC1OCCOCCBr 7a_100000692535_100009892977 [0,1,0,1,0,0|2,0,0]=4 23053 B12R1.383 O=C1CCC1OCCOCCCl 34a_100011215305_100009892977 [0,1,0,1,0,0|2,0,0]=4 23054 B12R1.383 O=C1CCC1OCCOCCCl 7a_100011215305_100009892977 [0,1,0,1,0,0|2,0,0]=4 23055 B12R1.383 O=C1CCC1OCCOCCF 34a_200015357709_100009892977 [0,1,0,1,0,0|2,0,0]=4 23056 B12R1.383 O=C1CCC1OCCOCCF 7a_200015357709_100009892977 [0,1,0,1,0,0|2,0,0]=4 23057 B12R1.383 O=C1CCC1OCCOCCI 34a_100012149058_100009892977 [0,1,0,1,0,0|2,0,0]=4 23058 B12R1.383 O=C1CCC1OCCOCCI 7a_100012149058_100009892977 [0,1,0,1,0,0|2,0,0]=4 23059 B12R1.383 O=C1CCC1SCCCCCF 62a_100000729378_100009892977 [0,1,0,1,0,0|1,0,0]=3 23060 B12R1.383 O=C1CCC1SCCCCCF 62a_100009892977_100000729378 [0,1,0,1,0,0|1,0,0]=3 23061 B12R1.383 O=C1CCC1SCCCCCO 62a_100000746330_100009892977 [0,1,0,1,0,0|1,0,0]=3 23062 B12R1.383 O=C1CCC1SCCCCCO 62a_100009892977_100000746330 [0,1,0,1,0,0|1,0,0]=3 23063 B12R1.383 O=C1CCC1SCCOCCO 62a_100009892977_100011215305 [0,1,0,1,0,0|2,0,0]=4 23064 B12R1.383 O=C1CCC1SCCOCCO 62a_100011215305_100009892977 [0,1,0,1,0,0|2,0,0]=4 23065 B12R1.383 O=CCCCCSC1CCC1=O 62a_100000139335_100009892977 [0,1,0,1,0,0|1,0,1]=4 23066 B12R1.383 O=CCCCCSC1CCC1=O 62a_100009892977_100000139335 [0,1,0,1,0,0|1,0,1]=4 23067 B12R1.455 CCCCNC1CCC(C1)CC 270004a_100000102301_100011218773 [0,1,0,1,0,0|1,0,1]=4 23068 B12R1.455 CCCCNC1CCN(C1)CC 2230a_100015188829_100000210211 [0,1,0,1,0,0|2,0,0]=4 23069 B12R1.455 CCCCNC1CCN(C1)CC 7a_106832991798_200011861547 [0,1,0,1,0,0|2,0,0]=4 23070 B12R1.455 CCCCOC1CCN(C1)CC 7a_100000210227_200011861547 [0,1,0,1,0,0|2,0,0]=4 23071 B12R1.455 CCCCSC1CCN(C1)CC 62a_100000210211_200011861547 [0,1,0,1,0,0|2,0,0]=4 23072 B12R1.455 CCCNCC1CC(=NO1)CC 2230a_100015184091_100000210303 [0,1,0,1,0,0|1,0,1]=4 23073 B12R1.455 CCCNCC1CCN(C1)CC 2230a_100011224064_100000210303 [0,1,0,1,0,0|2,0,0]=4 23074 B12R1.455 CCCOCC1CC(=NO1)CC 34a_100000210258_200009817039 [0,1,0,1,0,0|1,0,1]=4 23075 B12R1.455 CCCOCC1CCN(C1)CC 2230a_200011652792_100000210202 [0,1,0,1,0,0|2,0,0]=4 23076 B12R1.455 CCCOCC1CCN(C1)CC 269982a_200011652792_100000204670 [0,1,0,1,0,0|2,0,0]=4 23077 B12R1.455 CCCOCC1CCN(C1)CC 34a_200011652792_100000210202 [0,1,0,1,0,0|2,0,0]=4 23078 B12R1.455 CCCSCC1CC(=NO1)CC 62a_100000210303_200009817039 [0,1,0,1,0,0|1,0,1]=4 23079 B12R1.455 CCCSCC1CC(=NO1)CC 62a_200009817039_100000210303 [0,1,0,1,0,0|1,0,1]=4 23080 B12R1.455 CCCSCC1CCN(C1)CC 62a_100000210303_100015184589 [0,1,0,1,0,0|2,0,0]=4 23081 B12R1.455 CCCSCC1CCN(C1)CC 62a_100015184589_100000210303 [0,1,0,1,0,0|2,0,0]=4 23082 B12R1.477 C#CC(=O)CCCC1CCCC1 1458a_100000211873_100011713738 [0,1,0,1,0,0|0,0,2]=4 23083 B12R1.477 C#CC(=O)CCCN1CCCC1 1458a_100000211873_100011445909 [0,1,0,1,0,0|0,0,2]=4 23084 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [0,1,0,1,0,0|0,0,2]=4 23085 B12R1.477 C=CC(=O)CCCN1CCCC1 1458a_100000185746_100011445909 [0,1,0,1,0,0|0,0,2]=4 23086 B12R1.477 C=CC(=O)NCCC1CCCC1 1626a_100000739158_100000185746 [0,1,0,1,0,0|0,0,2]=4 23087 B12R1.477 C=CC(=O)NCCC1CCCC1 240690a_100000739158_200121576911 [0,1,0,1,0,0|0,0,2]=4 23088 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|0,0,0]=2 23089 B12R1.477 CCC(=O)CCCC1OCCO1 1458a_100000210414_100000042513 [0,1,0,1,0,0|1,0,0]=3 23090 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,1,0,1,0,0|0,0,0]=2 23091 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,1,0,1,0,0|0,0,0]=2 23092 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,1,0,0|0,0,0]=2 23093 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,1,0,0|0,0,0]=2 23094 B12R1.477 CCC(=O)COCC1CCCO1 1458a_100011223388_100000210202 [0,1,0,1,0,0|1,0,0]=3 23095 B12R1.477 CCC(=O)COCC1CCCO1 7a_100000210270_100000747405 [0,1,0,1,0,0|1,0,0]=3 23096 B12R1.477 CCC(=O)COCC1CCOC1 34a_100000725409_100011261433 [0,1,0,1,0,0|1,0,0]=3 23097 B12R1.477 CCC(=O)COCC1OCCO1 34a_100000725409_100000755774 [0,1,0,1,0,0|2,0,0]=4 23098 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,1,0,1,0,0|0,0,0]=2 23099 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,1,0,1,0,0|0,0,0]=2 23100 B12R1.477 CCC(=O)CSCC1CCCO1 1458a_100000217298_100000210202 [0,1,0,1,0,0|1,0,0]=3 23101 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000203698_100000747405 [0,1,0,1,0,0|1,0,0]=3 23102 B12R1.477 CCC(=O)CSCC1CCCO1 62a_100000747405_100000203698 [0,1,0,1,0,0|1,0,0]=3 23103 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000702531_100000747405 [0,1,0,1,0,0|1,0,0]=3 23104 B12R1.477 CCC(=O)CSCC1CCOC1 62a_100000747405_100000702531 [0,1,0,1,0,0|1,0,0]=3 23105 B12R1.477 CCC(=O)CSCC1OCCO1 62a_100000747405_100000755774 [0,1,0,1,0,0|2,0,0]=4 23106 B12R1.477 CCC(=O)CSCC1OCCO1 62a_100000755774_100000747405 [0,1,0,1,0,0|2,0,0]=4 23107 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,1,0,0|0,0,0]=2 23108 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,1,0,0|0,0,0]=2 23109 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,1,0,0|0,0,0]=2 23110 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,1,0,0|0,0,0]=2 23111 B12R1.477 CCC(=O)NCCC1OCCO1 11a_100000034215_100000210414 [0,1,0,1,0,0|2,0,0]=4 23112 B12R1.477 CCC(=O)NCCC1OCCO1 1626a_100000034215_100000210414 [0,1,0,1,0,0|2,0,0]=4 23113 B12R1.477 CCC(=O)NCCC1OCCO1 240690a_100000034215_100000210414 [0,1,0,1,0,0|2,0,0]=4 23114 B12R1.477 CCC(=O)NCCC1OCCO1 527a_100000034215_100000210414 [0,1,0,1,0,0|2,0,0]=4 23115 B12R1.477 CCC(=O)NCCN1CCCC1 240690a_100000212299_100000210414 [0,1,0,1,0,0|1,0,0]=3 23116 B12R1.477 CCC(=O)NN=CC1CCCC1 4a_100000183195_100000746403 [0,1,0,1,0,0|1,0,1]=4 23117 B12R1.477 CCC(C)CCNC1CCCC1 2230a_100020591266_100000179811 [0,1,0,1,0,0|1,0,1]=4 23118 B12R1.477 CCC(C)CCNC1CCCC1 270004a_100020591266_100000210133 [0,1,0,1,0,0|1,0,1]=4 23119 B12R1.477 CCC(C)CCOC1CCCC1 7a_100011215188_100000179811 [0,1,0,1,0,0|1,0,1]=4 23120 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100000737975_100000748023 [0,1,0,1,0,0|1,0,1]=4 23121 B12R1.477 CCC(C)CNCC1CCCC1 2230a_100020588543_100000740388 [0,1,0,1,0,0|1,0,1]=4 23122 B12R1.477 CCC(C)CNCC1CCCC1 269862a_100020588543_100000746403 [0,1,0,1,0,0|1,0,1]=4 23123 B12R1.477 CCC(C)CNCC1CCCC1 270004a_100000737975_100000243153 [0,1,0,1,0,0|1,0,1]=4 23124 B12R1.477 CCC(C)CNCC1CCCC1 34a_100000737975_100000748023 [0,1,0,1,0,0|1,0,1]=4 23125 B12R1.477 CCC(C)COCC1CCCC1 34a_100000742336_100000748023 [0,1,0,1,0,0|1,0,1]=4 23126 B12R1.477 CCC(C)COCC1CCCC1 7a_100000742336_100000748023 [0,1,0,1,0,0|1,0,1]=4 23127 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000740388_100000748023 [0,1,0,1,0,0|1,0,1]=4 23128 B12R1.477 CCC(C)CSCC1CCCC1 62a_100000748023_100000740388 [0,1,0,1,0,0|1,0,1]=4 23129 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000209981_100000760354 [0,1,0,1,0,0|1,0,1]=4 23130 B12R1.477 CCC(C)NCCC1CCCC1 2230a_100000739158_100000758301 [0,1,0,1,0,0|1,0,1]=4 23131 B12R1.477 CCC(C)NCCC1CCCC1 34a_100000739158_100011215416 [0,1,0,1,0,0|1,0,1]=4 23132 B12R1.477 CCC(C)OCCC1CCCC1 34a_100000749090_100011215416 [0,1,0,1,0,0|1,0,1]=4 23133 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000210228_100000760354 [0,1,0,1,0,0|1,0,1]=4 23134 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000749090_100000758301 [0,1,0,1,0,0|1,0,1]=4 23135 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000758301_100000760354 [0,1,0,1,0,0|1,0,1]=4 23136 B12R1.477 CCC(C)SCCC1CCCC1 62a_100000760354_100000758301 [0,1,0,1,0,0|1,0,1]=4 23137 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100000737975_100011218378 [0,1,0,1,0,0|0,0,2]=4 23138 B12R1.477 CCC(O)CNCC1CCCC1 2230a_100011218483_100000740388 [0,1,0,1,0,0|0,0,2]=4 23139 B12R1.477 CCC(O)CNCC1CCCC1 269862a_100011218483_100000746403 [0,1,0,1,0,0|0,0,2]=4 23140 B12R1.477 CCC(O)CNCC1CCCC1 34a_100000737975_100011218378 [0,1,0,1,0,0|0,0,2]=4 23141 B12R1.477 CCC(O)COCC1CCCC1 34a_100000742336_100011218378 [0,1,0,1,0,0|0,0,2]=4 23142 B12R1.477 CCC(O)COCC1CCCC1 7a_100000742336_100011218378 [0,1,0,1,0,0|0,0,2]=4 23143 B12R1.477 CCC(O)CSCC1CCCC1 62a_100000740388_100011218378 [0,1,0,1,0,0|0,0,2]=4 23144 B12R1.477 CCC(O)CSCC1CCCC1 62a_100011218378_100000740388 [0,1,0,1,0,0|0,0,2]=4 23145 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100000225621_100011713738 [0,1,0,1,0,0|2,0,0]=4 23146 B12R1.477 CCN(C)CCCC1CCCC1 2230a_100015186261_100000210202 [0,1,0,1,0,0|2,0,0]=4 23147 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100000225621_100011713738 [0,1,0,1,0,0|2,0,0]=4 23148 B12R1.477 CCN(C)CCCC1CCCC1 269982a_100015186261_100000204670 [0,1,0,1,0,0|2,0,0]=4 23149 B12R1.477 CCN(C)CCCC1CCCC1 34a_100015186261_100000210202 [0,1,0,1,0,0|2,0,0]=4 23150 B12R1.477 CCN(C)CCCC1CCCO1 2230a_100011698863_100000210202 [0,1,0,1,0,0|2,0,0]=4 23151 B12R1.477 CCN(C)CCCC1CCCO1 269982a_100011698863_100000204670 [0,1,0,1,0,0|2,0,0]=4 23152 B12R1.477 CCN(C)CCCC1CCCO1 34a_100011698863_100000210202 [0,1,0,1,0,0|2,0,0]=4 23153 B12R1.477 CCN(C)CCCN1CCCC1 2230a_100000188435_100015186262 [0,1,0,1,0,0|2,0,0]=4 23154 B12R1.477 CCN(C)CCCN1CCCC1 2230a_100000225621_100011445909 [0,1,0,1,0,0|2,0,0]=4 23155 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000188435_100015186262 [0,1,0,1,0,0|2,0,0]=4 23156 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000225621_100011445909 [0,1,0,1,0,0|2,0,0]=4 23157 B12R1.477 CCN(C)CCCN1CCCC1 269982a_100000233079_100000204670 [0,1,0,1,0,0|2,0,0]=4 23158 B12R1.477 CC[C@H](C)CNCC1CCCC1 2230a_100000737975_100009816398 [0,1,0,1,0,0|1,0,1]=4 23159 B12R1.477 CC[C@H](C)CNCC1CCCC1 34a_100000737975_100009816398 [0,1,0,1,0,0|1,0,1]=4 23160 B12R1.477 CC[C@H](C)COCC1CCCC1 34a_100000742336_100009816398 [0,1,0,1,0,0|1,0,1]=4 23161 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100000742336_100009816398 [0,1,0,1,0,0|1,0,1]=4 23162 B12R1.477 CC[C@H](C)COCC1CCCC1 7a_100009816381_100000740388 [0,1,0,1,0,0|1,0,1]=4 23163 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100000740388_100009816398 [0,1,0,1,0,0|1,0,1]=4 23164 B12R1.477 CC[C@H](C)CSCC1CCCC1 62a_100009816398_100000740388 [0,1,0,1,0,0|1,0,1]=4 23165 B12R1.477 CNC(=O)CCCN1CCCC1 2230a_100000188435_100000741757 [0,1,0,1,0,0|1,0,0]=3 23166 B12R1.477 CNC(=O)CCCN1CCCC1 240690a_100102657272_100000743284 [0,1,0,1,0,0|1,0,0]=3 23167 B12R1.477 CNC(=O)CCCN1CCCC1 269982a_100000188435_100000741757 [0,1,0,1,0,0|1,0,0]=3 23168 B12R1.477 CNC(=O)CCCN1CCSC1 2230a_100011215254_100000741757 [0,1,0,1,0,0|2,0,0]=4 23169 B12R1.477 CNC(=O)CCCN1CCSC1 269982a_100011215254_100000741757 [0,1,0,1,0,0|2,0,0]=4 23170 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [0,1,0,1,0,0|1,0,0]=3 23171 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [0,1,0,1,0,0|1,0,0]=3 23172 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [0,1,0,1,0,0|1,0,0]=3 23173 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [0,1,0,1,0,0|1,0,0]=3 23174 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [0,1,0,1,0,0|1,0,0]=3 23175 B12R1.477 CNC(=O)CCNC1CCOC1 2230a_100000738227_100000731011 [0,1,0,1,0,0|2,0,0]=4 23176 B12R1.477 CNC(=O)CCNC1CCOC1 270004a_100000738227_100000752484 [0,1,0,1,0,0|2,0,0]=4 23177 B12R1.477 CNC(=O)CCNC1CCOC1 34a_100000738227_100000690089 [0,1,0,1,0,0|2,0,0]=4 23178 B12R1.477 CNC(=O)CCNC1CCSC1 270004a_100000738227_100000212027 [0,1,0,1,0,0|2,0,0]=4 23179 B12R1.477 CNC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000737683 [0,1,0,1,0,0|2,0,0]=4 23180 B12R1.477 CNC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000737683 [0,1,0,1,0,0|2,0,0]=4 23181 B12R1.477 CNC(=O)CCN[C@H]1CCOC1 34a_100015188467_100012179268 [0,1,0,1,0,0|2,0,0]=4 23182 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,1,0,1,0,0|1,0,0]=3 23183 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,1,0,1,0,0|1,0,0]=3 23184 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,1,0,1,0,0|1,0,0]=3 23185 B12R1.477 CNC(=O)CCOC1CCCO1 34a_100000085407_100012179268 [0,1,0,1,0,0|2,0,0]=4 23186 B12R1.477 CNC(=O)CCOC1CCOC1 34a_100000754576_100000690089 [0,1,0,1,0,0|2,0,0]=4 23187 B12R1.477 CNC(=O)CCOC1CCSC1 7a_100011232664_100000737683 [0,1,0,1,0,0|2,0,0]=4 23188 B12R1.477 CNC(=O)CCO[C@H]1CCOC1 34a_100000717292_100012179268 [0,1,0,1,0,0|2,0,0]=4 23189 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [0,1,0,1,0,0|1,0,0]=3 23190 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [0,1,0,1,0,0|1,0,0]=3 23191 B12R1.477 CNC(=O)CCSC1CCOC1 62a_100000737683_100000690089 [0,1,0,1,0,0|2,0,0]=4 23192 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,1,0,1,0,0|1,0,0]=3 23193 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,1,0,1,0,0|1,0,0]=3 23194 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,1,0,1,0,0|1,0,0]=3 23195 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,1,0,1,0,0|1,0,0]=3 23196 B12R1.477 CNC(=O)CNCC1CCCO1 2230a_100000693194_100000203698 [0,1,0,1,0,0|2,0,0]=4 23197 B12R1.477 CNC(=O)CNCC1CCOC1 2230a_100000693194_100000702531 [0,1,0,1,0,0|2,0,0]=4 23198 B12R1.477 CNC(=O)CNCC1CCOC1 2230a_100000737293_100000183359 [0,1,0,1,0,0|2,0,0]=4 23199 B12R1.477 CNC(=O)CNCC1CCOC1 34a_100000737293_100000183359 [0,1,0,1,0,0|2,0,0]=4 23200 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183359 [0,1,0,1,0,0|2,0,0]=4 23201 B12R1.477 CNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183359 [0,1,0,1,0,0|2,0,0]=4 23202 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,1,0,1,0,0|1,0,0]=3 23203 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,1,0,1,0,0|1,0,0]=3 23204 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,1,0,1,0,0|1,0,0]=3 23205 B12R1.477 CNC(=O)COCC1CCCO1 11a_106832991635_100011223388 [0,1,0,1,0,0|2,0,0]=4 23206 B12R1.477 CNC(=O)COCC1CCCO1 1626a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 23207 B12R1.477 CNC(=O)COCC1CCCO1 240690a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 23208 B12R1.477 CNC(=O)COCC1CCCO1 34a_100000210270_100000183359 [0,1,0,1,0,0|2,0,0]=4 23209 B12R1.477 CNC(=O)COCC1CCCO1 527a_100102657272_100011223388 [0,1,0,1,0,0|2,0,0]=4 23210 B12R1.477 CNC(=O)COCC1CCCO1 7a_100000210270_100000183359 [0,1,0,1,0,0|2,0,0]=4 23211 B12R1.477 CNC(=O)COCC1CCNC1 34a_100000748654_100000183359 [0,1,0,1,0,0|2,0,0]=4 23212 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000740260_100000183359 [0,1,0,1,0,0|2,0,0]=4 23213 B12R1.477 CNC(=O)COCC1CCOC1 34a_100000750040_100011261433 [0,1,0,1,0,0|2,0,0]=4 23214 B12R1.477 CNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183359 [0,1,0,1,0,0|2,0,0]=4 23215 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,1,0,1,0,0|1,0,0]=3 23216 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,1,0,1,0,0|1,0,0]=3 23217 B12R1.477 CNC(=O)CSCC1CCCO1 11a_106832991635_100000217298 [0,1,0,1,0,0|2,0,0]=4 23218 B12R1.477 CNC(=O)CSCC1CCCO1 1626a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 23219 B12R1.477 CNC(=O)CSCC1CCCO1 240690a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 23220 B12R1.477 CNC(=O)CSCC1CCCO1 527a_100102657272_100000217298 [0,1,0,1,0,0|2,0,0]=4 23221 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000183359_100000203698 [0,1,0,1,0,0|2,0,0]=4 23222 B12R1.477 CNC(=O)CSCC1CCCO1 62a_100000203698_100000183359 [0,1,0,1,0,0|2,0,0]=4 23223 B12R1.477 CNC(=O)CSCC1CCOC1 62a_100000183359_100000702531 [0,1,0,1,0,0|2,0,0]=4 23224 B12R1.477 CNC(=O)CSCC1CCOC1 62a_100000702531_100000183359 [0,1,0,1,0,0|2,0,0]=4 23225 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,1,0,1,0,0|1,0,0]=3 23226 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,1,0,1,0,0|1,0,0]=3 23227 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,1,0,1,0,0|1,0,0]=3 23228 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,1,0,1,0,0|1,0,0]=3 23229 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,1,0,1,0,0|1,0,0]=3 23230 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,1,0,1,0,0|1,0,0]=3 23231 B12R1.477 CNC(=O)NCCN1CCCC1 2708a_100102657272_100000212299 [0,1,0,1,0,0|2,0,0]=4 23232 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100000212299_100102657272 [0,1,0,1,0,0|2,0,0]=4 23233 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100102657272_100000212299 [0,1,0,1,0,0|2,0,0]=4 23234 B12R1.477 CNC(=O)OCCN1CCCC1 269982a_100000188435_200011997002 [0,1,0,1,0,0|2,0,0]=4 23235 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,1,0,1,0,0|1,0,0]=3 23236 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,1,0,1,0,0|1,0,0]=3 23237 B12R1.477 COC(=O)CCCN1CCSC1 2230a_100011215254_100011218270 [0,1,0,1,0,0|2,0,0]=4 23238 B12R1.477 COC(=O)CCCN1CCSC1 269982a_100011215254_100011218270 [0,1,0,1,0,0|2,0,0]=4 23239 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,1,0,1,0,0|1,0,0]=3 23240 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,1,0,1,0,0|1,0,0]=3 23241 B12R1.477 COC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000204255 [0,1,0,1,0,0|2,0,0]=4 23242 B12R1.477 COC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000204255 [0,1,0,1,0,0|2,0,0]=4 23243 B12R1.477 COC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000742370 [0,1,0,1,0,0|2,0,0]=4 23244 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,1,0,1,0,0|1,0,0]=3 23245 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,1,0,1,0,0|1,0,0]=3 23246 B12R1.477 COC(=O)CCOC1CCCO1 34a_100000085407_100000742370 [0,1,0,1,0,0|2,0,0]=4 23247 B12R1.477 COC(=O)CCOC1CCSC1 7a_100011232664_100000204255 [0,1,0,1,0,0|2,0,0]=4 23248 B12R1.477 COC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000742370 [0,1,0,1,0,0|2,0,0]=4 23249 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,1,0,1,0,0|1,0,0]=3 23250 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,1,0,1,0,0|1,0,0]=3 23251 B12R1.477 COC(=O)CCSC1CCOC1 62a_100000204255_100000690089 [0,1,0,1,0,0|2,0,0]=4 23252 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,1,0,1,0,0|1,0,0]=3 23253 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,1,0,1,0,0|1,0,0]=3 23254 B12R1.477 COC(=O)CNCC1CCOC1 2230a_100000737293_100000747449 [0,1,0,1,0,0|2,0,0]=4 23255 B12R1.477 COC(=O)CNCC1CCOC1 34a_100000737293_100000747449 [0,1,0,1,0,0|2,0,0]=4 23256 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [0,1,0,1,0,0|2,0,0]=4 23257 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [0,1,0,1,0,0|2,0,0]=4 23258 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,1,0,1,0,0|1,0,0]=3 23259 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,1,0,1,0,0|1,0,0]=3 23260 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [0,1,0,1,0,0|2,0,0]=4 23261 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [0,1,0,1,0,0|2,0,0]=4 23262 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [0,1,0,1,0,0|2,0,0]=4 23263 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [0,1,0,1,0,0|2,0,0]=4 23264 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [0,1,0,1,0,0|2,0,0]=4 23265 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,1,0,1,0,0|1,0,0]=3 23266 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,1,0,1,0,0|1,0,0]=3 23267 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [0,1,0,1,0,0|2,0,0]=4 23268 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [0,1,0,1,0,0|2,0,0]=4 23269 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000702531_100000747449 [0,1,0,1,0,0|2,0,0]=4 23270 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000747449_100000702531 [0,1,0,1,0,0|2,0,0]=4 23271 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,1,0,1,0,0|2,0,0]=4 23272 B12R1.477 O=C(CF)CCCN1CCCC1 1458a_100000743284_100015361967 [0,1,0,1,0,0|1,0,0]=3 23273 B12R1.477 O=C(CF)COCC1CCCO1 1458a_100011223388_100015361967 [0,1,0,1,0,0|2,0,0]=4 23274 B12R1.477 O=C(CF)CSCC1CCCO1 1458a_100000217298_100015361967 [0,1,0,1,0,0|2,0,0]=4 23275 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|1,0,0]=3 23276 B12R1.477 O=C(CO)CCCC1OCCO1 1458a_100000210174_100000042513 [0,1,0,1,0,0|2,0,0]=4 23277 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [0,1,0,1,0,0|1,0,0]=3 23278 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,1,0,0|1,0,0]=3 23279 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,1,0,0|1,0,0]=3 23280 B12R1.477 O=C(CO)NCCN1CCCC1 240690a_100000212299_100000210174 [0,1,0,1,0,0|2,0,0]=4 23281 B12R1.821 CCCCCCCNC1(CC1)C 2230a_100000757604_100000210681 [0,1,0,1,0,0|1,0,1]=4 23282 B12R1.821 CCCCCCCOC1(CC1)C 7a_100011725673_100000210614 [0,1,0,1,0,0|1,0,1]=4 23283 B12R1.821 CCCCCCNCC1(CC1)C 2230a_100000766693_100000210314 [0,1,0,1,0,0|1,0,1]=4 23284 B12R1.821 CCCCCCNCC1(CC1)O 2230a_100011936951_100000210314 [0,1,0,1,0,0|0,0,2]=4 23285 B12R1.821 CCCCCCOCC1(CC1)C 7a_100000698024_100000210314 [0,1,0,1,0,0|1,0,1]=4 23286 B12R1.821 CCCCCCOCC1(CC1)F 34a_200000703853_100000210314 [0,1,0,1,0,0|1,0,1]=4 23287 B12R1.821 CCCCCCOCC1(CC1)F 7a_200000703853_100000210314 [0,1,0,1,0,0|1,0,1]=4 23288 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [0,1,0,1,0,0|1,0,0]=3 23289 B12R1.1412 CCOCCN1CC1C(=O)OC 2230a_200009830135_100011215890 [0,1,0,1,0,0|2,0,0]=4 23290 B12R1.1412 CCSCCN1CC1C(=O)OC 2230a_200009830135_100000757381 [0,1,0,1,0,0|2,0,0]=4 23291 B12R1.1412 COC(=O)C1CN1CCCCF 2230a_200009830135_100000729493 [0,1,0,1,0,0|2,0,0]=4 23292 B12R1.1412 COC(=O)C1CN1CCCCO 2230a_200009830135_100000210776 [0,1,0,1,0,0|2,0,0]=4 23293 B12R1.1412 COCCCN1CC1C(=O)OC 2230a_200009830135_100000740836 [0,1,0,1,0,0|2,0,0]=4 23294 B12R1.1659 C=CC(=O)N1CCCCCCC1 1626a_100000211400_100000185746 [0,1,0,1,0,0|0,0,2]=4 23295 B12R1.1659 C=CC(=O)N1CCCCCCC1 240690a_100000211400_200121576911 [0,1,0,1,0,0|0,0,2]=4 23296 B12R1.1659 CCC(=O)C1CC/C=C\CCC1 1458a_100000210414_100021000466 [0,1,0,1,0,0|0,0,1]=3 23297 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,1,0,1,0,0|0,0,0]=2 23298 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,1,0,1,0,0|0,0,0]=2 23299 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,1,0,1,0,0|0,0,0]=2 23300 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,1,0,1,0,0|0,0,0]=2 23301 B12R1.1659 CCC(C)N1CCCCCCC1 2230a_100000211400_100000758301 [0,1,0,1,0,0|1,0,1]=4 23302 B12R1.1659 CCC(C)N1CCCCCCC1 269982a_100000211400_100000758301 [0,1,0,1,0,0|1,0,1]=4 23303 B12R1.1659 CCC(C)N1CCCCCCC1 34a_100000211400_100011215416 [0,1,0,1,0,0|1,0,1]=4 23304 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [0,1,0,1,0,0|1,0,0]=3 23305 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [0,1,0,1,0,0|1,0,0]=3 23306 B12R1.1659 O=C(CO)C1CC/C=C\CCC1 1458a_100000210174_100021000466 [0,1,0,1,0,0|1,0,1]=4 23307 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,1,0,1,0,0|1,0,0]=3 23308 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,1,0,1,0,0|1,0,0]=3 23309 B12R1.1748 C#CC(=O)CC1CCCCCC1 1458a_100000211873_200000696569 [0,1,0,1,0,0|0,0,2]=4 23310 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,1,0,1,0,0|0,0,2]=4 23311 B12R1.1748 C=CC(=O)NC1CCCCCC1 1626a_100000210984_100000185746 [0,1,0,1,0,0|0,0,2]=4 23312 B12R1.1748 C=CC(=O)NC1CCCCCC1 240690a_100000210984_200121576911 [0,1,0,1,0,0|0,0,2]=4 23313 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,1,0,1,0,0|0,0,1]=3 23314 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,1,0,1,0,0|0,0,0]=2 23315 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,1,0,1,0,0|0,0,0]=2 23316 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,1,0,1,0,0|0,0,0]=2 23317 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,1,0,1,0,0|0,0,0]=2 23318 B12R1.1748 CCC(=O)CN1CCCOCC1 269982a_100000685342_100000747405 [0,1,0,1,0,0|1,0,0]=3 23319 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,1,0,1,0,0|0,0,0]=2 23320 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,1,0,1,0,0|0,0,0]=2 23321 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,1,0,1,0,0|0,0,0]=2 23322 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,1,0,1,0,0|0,0,0]=2 23323 B12R1.1748 CCC(C)CN1CCCCCC1 2230a_100000185865_100000748023 [0,1,0,1,0,0|1,0,1]=4 23324 B12R1.1748 CCC(C)CN1CCCCCC1 269982a_100000185865_100000748023 [0,1,0,1,0,0|1,0,1]=4 23325 B12R1.1748 CCC(C)CN1CCCCCC1 270004a_100000185865_100000243153 [0,1,0,1,0,0|1,0,1]=4 23326 B12R1.1748 CCC(C)CN1CCCCCC1 34a_100000185865_100000748023 [0,1,0,1,0,0|1,0,1]=4 23327 B12R1.1748 CCC(C)NC1CCCCCC1 2230a_100000210984_100000758301 [0,1,0,1,0,0|1,0,1]=4 23328 B12R1.1748 CCC(C)NC1CCCCCC1 270004a_100000209981_100000210131 [0,1,0,1,0,0|1,0,1]=4 23329 B12R1.1748 CCC(C)NC1CCCCCC1 34a_100000210984_100011215416 [0,1,0,1,0,0|1,0,1]=4 23330 B12R1.1748 CCC(C)OC1CCCCCC1 34a_100000210887_100011215416 [0,1,0,1,0,0|1,0,1]=4 23331 B12R1.1748 CCC(C)OC1CCCCCC1 7a_100000210887_100000758301 [0,1,0,1,0,0|1,0,1]=4 23332 B12R1.1748 CCC(C)SC1CCCCCC1 62a_100000758301_100011217769 [0,1,0,1,0,0|1,0,1]=4 23333 B12R1.1748 CCC(C)SC1CCCCCC1 62a_100011217769_100000758301 [0,1,0,1,0,0|1,0,1]=4 23334 B12R1.1748 CCC(O)CN1CCCCCC1 2230a_100000185865_100011218378 [0,1,0,1,0,0|0,0,2]=4 23335 B12R1.1748 CCC(O)CN1CCCCCC1 269982a_100000185865_100011218378 [0,1,0,1,0,0|0,0,2]=4 23336 B12R1.1748 CCC(O)CN1CCCCCC1 34a_100000185865_100011218378 [0,1,0,1,0,0|0,0,2]=4 23337 B12R1.1748 CCN(C)CC1CCCCCC1 2230a_100000225621_200000696569 [0,1,0,1,0,0|2,0,0]=4 23338 B12R1.1748 CCN(C)CC1CCCCCC1 269982a_100000225621_200000696569 [0,1,0,1,0,0|2,0,0]=4 23339 B12R1.1748 CC[C@H](C)CN1CCCCCC1 2230a_100000185865_100009816398 [0,1,0,1,0,0|1,0,1]=4 23340 B12R1.1748 CC[C@H](C)CN1CCCCCC1 269982a_100000185865_100009816398 [0,1,0,1,0,0|1,0,1]=4 23341 B12R1.1748 CC[C@H](C)CN1CCCCCC1 34a_100000185865_100009816398 [0,1,0,1,0,0|1,0,1]=4 23342 B12R1.1748 CNC(=O)C=C1CCCCCC1 11a_106832991635_100011240665 [0,1,0,1,0,0|1,0,1]=4 23343 B12R1.1748 CNC(=O)C=C1CCCCCC1 1626a_100102657272_100011240665 [0,1,0,1,0,0|1,0,1]=4 23344 B12R1.1748 CNC(=O)C=C1CCCCCC1 240690a_100102657272_100011240665 [0,1,0,1,0,0|1,0,1]=4 23345 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,1,0,1,0,0|1,0,0]=3 23346 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 23347 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 23348 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 23349 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [0,1,0,1,0,0|1,0,0]=3 23350 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 23351 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [0,1,0,1,0,0|1,0,0]=3 23352 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 23353 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [0,1,0,1,0,0|1,0,0]=3 23354 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [0,1,0,1,0,0|1,0,0]=3 23355 B12R1.1748 CNC(=O)CN1CCCOCC1 2230a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 23356 B12R1.1748 CNC(=O)CN1CCCOCC1 269982a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 23357 B12R1.1748 CNC(=O)CN1CCCOCC1 34a_100000685342_100000183359 [0,1,0,1,0,0|2,0,0]=4 23358 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,1,0,1,0,0|1,0,0]=3 23359 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,1,0,1,0,0|1,0,0]=3 23360 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,1,0,1,0,0|1,0,0]=3 23361 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,1,0,1,0,0|1,0,0]=3 23362 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,1,0,1,0,0|1,0,0]=3 23363 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,1,0,1,0,0|1,0,0]=3 23364 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,1,0,1,0,0|1,0,0]=3 23365 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,1,0,1,0,0|1,0,0]=3 23366 B12R1.1748 COC(=O)CN1CCCOCC1 2230a_100000685342_100000747449 [0,1,0,1,0,0|2,0,0]=4 23367 B12R1.1748 COC(=O)CN1CCCOCC1 269982a_100000685342_100000747449 [0,1,0,1,0,0|2,0,0]=4 23368 B12R1.1748 COC(=O)CN1CCCOCC1 34a_100000685342_100000747449 [0,1,0,1,0,0|2,0,0]=4 23369 B12R1.1748 O=C(C=C1CCCCCC1)CF 1458a_100011240665_100015361967 [0,1,0,1,0,0|1,0,1]=4 23370 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,1,0,1,0,0|1,0,0]=3 23371 B12R1.1748 O=C(CF)CN1CCCCCC1 1458a_100000740298_100015361967 [0,1,0,1,0,0|1,0,0]=3 23372 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,1,0,1,0,0|1,0,0]=3 23373 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,1,0,1,0,0|1,0,0]=3 23374 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,1,0,1,0,0|1,0,0]=3 23375 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210314 [0,1,0,1,0,0|0,0,2]=4 23376 B12R1.1759 CCCCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210757 [0,1,0,1,0,0|0,0,2]=4 23377 B12R1.1761 CCCCCCN1CC(C1)CC 2230a_100015205115_100000210314 [0,1,0,1,0,0|1,0,1]=4 23378 B12R1.1761 CCCCCCN1CC(C1)CC 269982a_100015205115_100000210757 [0,1,0,1,0,0|1,0,1]=4 23379 B12R1.1761 CCCCCNC1CN(C1)CC 2230a_200015199589_100000210326 [0,1,0,1,0,0|2,0,0]=4 23380 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,1,0,1,0,0|0,0,1]=3 23381 B12R1.43 C=C(C)C(=O)CC1CCCCO1 1458a_100000185857_100000211543 [0,1,0,1,0,0|1,0,1]=4 23382 B12R1.43 C=C(C)C(=O)CC1CCCOC1 1458a_100000185857_100000741521 [0,1,0,1,0,0|1,0,1]=4 23383 B12R1.43 C=C(C)C(=O)CC1CCOCC1 1458a_100000185857_100000754603 [0,1,0,1,0,0|1,0,1]=4 23384 B12R1.43 C=C(C)C(=O)NC1CCCCC1 11a_100000182618_100000185857 [0,1,0,1,0,0|1,0,1]=4 23385 B12R1.43 C=C(C)C(=O)NC1CCCCC1 1626a_100000182618_100000185857 [0,1,0,1,0,0|1,0,1]=4 23386 B12R1.43 CC(=O)C(=O)NC1CCCCC1 1458a_200011297149_200000210301 [0,1,0,1,0,0|1,0,1]=4 23387 B12R1.43 CC(C)C(=O)C=C1CCCCC1 1458a_100000743792_100000210206 [0,1,0,1,0,0|0,0,2]=4 23388 B12R1.43 CC(C)C(=O)CC1=CCCCC1 1458a_100000039269_100000210206 [0,1,0,1,0,0|0,0,2]=4 23389 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000210198_100000211423 [0,1,0,1,0,0|0,0,0]=2 23390 B12R1.43 CC(C)C(=O)CC1CCCCC1 1458a_100000211666_100000210206 [0,1,0,1,0,0|0,0,0]=2 23391 B12R1.43 CC(C)C(=O)CC1CCCCO1 1458a_100000210198_100000211543 [0,1,0,1,0,0|1,0,0]=3 23392 B12R1.43 CC(C)C(=O)CC1CCCCO1 1458a_100000238585_100000210206 [0,1,0,1,0,0|1,0,0]=3 23393 B12R1.43 CC(C)C(=O)CC1CCCOC1 1458a_100000210198_100000741521 [0,1,0,1,0,0|1,0,0]=3 23394 B12R1.43 CC(C)C(=O)CC1CCCOC1 1458a_100000741523_100000210206 [0,1,0,1,0,0|1,0,0]=3 23395 B12R1.43 CC(C)C(=O)CC1CCOCC1 1458a_100000210198_100000754603 [0,1,0,1,0,0|1,0,0]=3 23396 B12R1.43 CC(C)C(=O)CC1CCOCC1 1458a_100000757261_100000210206 [0,1,0,1,0,0|1,0,0]=3 23397 B12R1.43 CC(C)C(=O)CN1CCCCC1 1458a_100000740322_100000210206 [0,1,0,1,0,0|1,0,0]=3 23398 B12R1.43 CC(C)C(=O)CN1CCCOC1 2230a_100000131196_100000753385 [0,1,0,1,0,0|2,0,0]=4 23399 B12R1.43 CC(C)C(=O)CN1CCCOC1 269982a_100000131196_100000753385 [0,1,0,1,0,0|2,0,0]=4 23400 B12R1.43 CC(C)C(=O)CN1CCCOC1 34a_100000131196_100000753385 [0,1,0,1,0,0|2,0,0]=4 23401 B12R1.43 CC(C)C(=O)CN1CCOCC1 1458a_100000740321_100000210206 [0,1,0,1,0,0|2,0,0]=4 23402 B12R1.43 CC(C)C(=O)CN1CCOCC1 2230a_100015191051_100000753385 [0,1,0,1,0,0|2,0,0]=4 23403 B12R1.43 CC(C)C(=O)CN1CCOCC1 269982a_100015191051_100000753385 [0,1,0,1,0,0|2,0,0]=4 23404 B12R1.43 CC(C)C(=O)CN1CCOCC1 34a_100015191051_100000753385 [0,1,0,1,0,0|2,0,0]=4 23405 B12R1.43 CC(C)C(=O)CN1CCSCC1 2230a_100000737611_100000753385 [0,1,0,1,0,0|2,0,0]=4 23406 B12R1.43 CC(C)C(=O)CN1CCSCC1 269982a_100000737611_100000753385 [0,1,0,1,0,0|2,0,0]=4 23407 B12R1.43 CC(C)C(=O)NC1CCCCC1 11a_100000182618_100000210198 [0,1,0,1,0,0|1,0,0]=3 23408 B12R1.43 CC(C)C(=O)NC1CCCCC1 1626a_100000182618_100000210198 [0,1,0,1,0,0|1,0,0]=3 23409 B12R1.43 CC(C)C(=O)NC1CCCCC1 240690a_100000182618_100000210198 [0,1,0,1,0,0|1,0,0]=3 23410 B12R1.43 CC(C)C(=O)NC1CCCCC1 527a_100000182618_100000210198 [0,1,0,1,0,0|1,0,0]=3 23411 B12R1.43 CC(C)C(=O)NC1CCCOC1 11a_100000719290_100000210198 [0,1,0,1,0,0|2,0,0]=4 23412 B12R1.43 CC(C)C(=O)NC1CCCOC1 1626a_100000719290_100000210198 [0,1,0,1,0,0|2,0,0]=4 23413 B12R1.43 CC(C)C(=O)NC1CCCOC1 240690a_100000719290_100000210198 [0,1,0,1,0,0|2,0,0]=4 23414 B12R1.43 CC(C)C(=O)NC1CCCOC1 527a_100000719290_100000210198 [0,1,0,1,0,0|2,0,0]=4 23415 B12R1.43 CC(C)C(=O)NC1CCOCC1 11a_100000741149_100000210198 [0,1,0,1,0,0|2,0,0]=4 23416 B12R1.43 CC(C)C(=O)NC1CCOCC1 1626a_100000741149_100000210198 [0,1,0,1,0,0|2,0,0]=4 23417 B12R1.43 CC(C)C(=O)NC1CCOCC1 240690a_100000741149_100000210198 [0,1,0,1,0,0|2,0,0]=4 23418 B12R1.43 CC(C)C(=O)NC1CCOCC1 527a_100000741149_100000210198 [0,1,0,1,0,0|2,0,0]=4 23419 B12R1.43 CC(C)C(=O)NC1CCSCC1 11a_100000748639_100000210198 [0,1,0,1,0,0|2,0,0]=4 23420 B12R1.43 CC(C)C(=O)NC1CCSCC1 1626a_100000748639_100000210198 [0,1,0,1,0,0|2,0,0]=4 23421 B12R1.43 CC(C)C(=O)NC1CCSCC1 240690a_100000748639_100000210198 [0,1,0,1,0,0|2,0,0]=4 23422 B12R1.43 CC(C)C(=O)NC1CCSCC1 527a_100000748639_100000210198 [0,1,0,1,0,0|2,0,0]=4 23423 B12R1.43 CC(C)N(C)CC1CCCCC1 2230a_100000736448_100000210206 [0,1,0,1,0,0|2,0,0]=4 23424 B12R1.43 CC(C)N(C)CC1CCCCC1 269982a_100000736448_100000210206 [0,1,0,1,0,0|2,0,0]=4 23425 B12R1.43 CC(C)N(C)CC1CCCCC1 269982a_200000211004_100000211423 [0,1,0,1,0,0|2,0,0]=4 23426 B12R1.43 CC(C)N(C)CC1CCCCC1 34a_100000736448_100000210206 [0,1,0,1,0,0|2,0,0]=4 23427 B12R1.43 CC(F)C(=O)CC1CCCCC1 1458a_100000062450_100000211423 [0,1,0,1,0,0|0,0,0]=2 23428 B12R1.43 CC(F)C(=O)CC1CCCCO1 1458a_100000062450_100000211543 [0,1,0,1,0,0|1,0,0]=3 23429 B12R1.43 CC(F)C(=O)CC1CCCOC1 1458a_100000062450_100000741521 [0,1,0,1,0,0|1,0,0]=3 23430 B12R1.43 CC(F)C(=O)CC1CCOCC1 1458a_100000062450_100000754603 [0,1,0,1,0,0|1,0,0]=3 23431 B12R1.43 CC(F)C(=O)NC1CCCCC1 11a_100000182618_100000062450 [0,1,0,1,0,0|1,0,0]=3 23432 B12R1.43 CC(F)C(=O)NC1CCCCC1 1626a_100000182618_100000062450 [0,1,0,1,0,0|1,0,0]=3 23433 B12R1.43 CC(F)C(=O)NC1CCCCC1 240690a_100000182618_100000062450 [0,1,0,1,0,0|1,0,0]=3 23434 B12R1.43 CC(F)C(=O)NC1CCCCC1 527a_100000182618_100000062450 [0,1,0,1,0,0|1,0,0]=3 23435 B12R1.43 CC(F)C(=O)NC1CCCOC1 11a_100000719290_100000062450 [0,1,0,1,0,0|2,0,0]=4 23436 B12R1.43 CC(F)C(=O)NC1CCCOC1 1626a_100000719290_100000062450 [0,1,0,1,0,0|2,0,0]=4 23437 B12R1.43 CC(F)C(=O)NC1CCCOC1 240690a_100000719290_100000062450 [0,1,0,1,0,0|2,0,0]=4 23438 B12R1.43 CC(F)C(=O)NC1CCCOC1 527a_100000719290_100000062450 [0,1,0,1,0,0|2,0,0]=4 23439 B12R1.43 CC(F)C(=O)NC1CCOCC1 11a_100000741149_100000062450 [0,1,0,1,0,0|2,0,0]=4 23440 B12R1.43 CC(F)C(=O)NC1CCOCC1 1626a_100000741149_100000062450 [0,1,0,1,0,0|2,0,0]=4 23441 B12R1.43 CC(F)C(=O)NC1CCOCC1 240690a_100000741149_100000062450 [0,1,0,1,0,0|2,0,0]=4 23442 B12R1.43 CC(F)C(=O)NC1CCOCC1 527a_100000741149_100000062450 [0,1,0,1,0,0|2,0,0]=4 23443 B12R1.43 CC(F)C(=O)NC1CCSCC1 11a_100000748639_100000062450 [0,1,0,1,0,0|2,0,0]=4 23444 B12R1.43 CC(F)C(=O)NC1CCSCC1 1626a_100000748639_100000062450 [0,1,0,1,0,0|2,0,0]=4 23445 B12R1.43 CC(F)C(=O)NC1CCSCC1 240690a_100000748639_100000062450 [0,1,0,1,0,0|2,0,0]=4 23446 B12R1.43 CC(F)C(=O)NC1CCSCC1 527a_100000748639_100000062450 [0,1,0,1,0,0|2,0,0]=4 23447 B12R1.43 CN(C)C(=O)CC1CCCCC1 11a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 23448 B12R1.43 CN(C)C(=O)CC1CCCCC1 1626a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 23449 B12R1.43 CN(C)C(=O)CC1CCCCC1 240690a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 23450 B12R1.43 CN(C)C(=O)CC1CCCCC1 527a_100102631434_100000211666 [0,1,0,1,0,0|1,0,0]=3 23451 B12R1.43 CN(C)C(=O)CC1CCCCO1 11a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 23452 B12R1.43 CN(C)C(=O)CC1CCCCO1 1626a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 23453 B12R1.43 CN(C)C(=O)CC1CCCCO1 240690a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 23454 B12R1.43 CN(C)C(=O)CC1CCCCO1 527a_100102631434_100000238585 [0,1,0,1,0,0|2,0,0]=4 23455 B12R1.43 CN(C)C(=O)CC1CCCOC1 11a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 23456 B12R1.43 CN(C)C(=O)CC1CCCOC1 1626a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 23457 B12R1.43 CN(C)C(=O)CC1CCCOC1 240690a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 23458 B12R1.43 CN(C)C(=O)CC1CCCOC1 527a_100102631434_100000741523 [0,1,0,1,0,0|2,0,0]=4 23459 B12R1.43 CN(C)C(=O)CC1CCOCC1 11a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 23460 B12R1.43 CN(C)C(=O)CC1CCOCC1 1626a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 23461 B12R1.43 CN(C)C(=O)CC1CCOCC1 240690a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 23462 B12R1.43 CN(C)C(=O)CC1CCOCC1 527a_100102631434_100000757261 [0,1,0,1,0,0|2,0,0]=4 23463 B12R1.43 CN(C)C(=O)CN1CCCCC1 11a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 23464 B12R1.43 CN(C)C(=O)CN1CCCCC1 240690a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 23465 B12R1.43 CN(C)C(=O)CN1CCCCC1 527a_100102631434_100000740322 [0,1,0,1,0,0|2,0,0]=4 23466 B12R1.43 CN(C)C(=O)NC1CCCCC1 2708a_100000182618_100102631434 [0,1,0,1,0,0|2,0,0]=4 23467 B12R1.43 C[C@@H](O)C(=O)CC1CCCCC1 1458a_100000717761_100000211423 [0,1,0,1,0,0|0,0,0]=2 23468 B12R1.43 C[C@@H](O)C(=O)CC1CCCCO1 1458a_100000717761_100000211543 [0,1,0,1,0,0|1,0,0]=3 23469 B12R1.43 C[C@@H](O)C(=O)CC1CCCOC1 1458a_100000717761_100000741521 [0,1,0,1,0,0|1,0,0]=3 23470 B12R1.43 C[C@@H](O)C(=O)CC1CCOCC1 1458a_100000717761_100000754603 [0,1,0,1,0,0|1,0,0]=3 23471 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 240690a_100000182618_100000717761 [0,1,0,1,0,0|1,0,0]=3 23472 B12R1.43 C[C@@H](O)C(=O)NC1CCCOC1 240690a_100000719290_100000717761 [0,1,0,1,0,0|2,0,0]=4 23473 B12R1.43 C[C@@H](O)C(=O)NC1CCOCC1 240690a_100000741149_100000717761 [0,1,0,1,0,0|2,0,0]=4 23474 B12R1.43 C[C@@H](O)C(=O)NC1CCSCC1 240690a_100000748639_100000717761 [0,1,0,1,0,0|2,0,0]=4 23475 B12R1.43 C[C@H](O)C(=O)CC1CCCCC1 1458a_217856618621_100000211423 [0,1,0,1,0,0|0,0,0]=2 23476 B12R1.43 C[C@H](O)C(=O)CC1CCCCO1 1458a_217856618621_100000211543 [0,1,0,1,0,0|1,0,0]=3 23477 B12R1.43 C[C@H](O)C(=O)CC1CCCOC1 1458a_217856618621_100000741521 [0,1,0,1,0,0|1,0,0]=3 23478 B12R1.43 C[C@H](O)C(=O)CC1CCOCC1 1458a_217856618621_100000754603 [0,1,0,1,0,0|1,0,0]=3 23479 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 1626a_100000182618_217856618621 [0,1,0,1,0,0|1,0,0]=3 23480 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 240690a_100000182618_217856618621 [0,1,0,1,0,0|1,0,0]=3 23481 B12R1.43 C[C@H](O)C(=O)NC1CCCOC1 1626a_100000719290_217856618621 [0,1,0,1,0,0|2,0,0]=4 23482 B12R1.43 C[C@H](O)C(=O)NC1CCCOC1 240690a_100000719290_217856618621 [0,1,0,1,0,0|2,0,0]=4 23483 B12R1.43 C[C@H](O)C(=O)NC1CCOCC1 1626a_100000741149_217856618621 [0,1,0,1,0,0|2,0,0]=4 23484 B12R1.43 C[C@H](O)C(=O)NC1CCOCC1 240690a_100000741149_217856618621 [0,1,0,1,0,0|2,0,0]=4 23485 B12R1.43 C[C@H](O)C(=O)NC1CCSCC1 1626a_100000748639_217856618621 [0,1,0,1,0,0|2,0,0]=4 23486 B12R1.43 C[C@H](O)C(=O)NC1CCSCC1 240690a_100000748639_217856618621 [0,1,0,1,0,0|2,0,0]=4 23487 B12R1.43 O=C(CC1CCCCC1)C(O)O 1458a_100000233687_100000211423 [0,1,0,1,0,0|1,0,0]=3 23488 B12R1.43 O=C(CC1CCCCO1)C(O)O 1458a_100000233687_100000211543 [0,1,0,1,0,0|2,0,0]=4 23489 B12R1.43 O=C(CC1CCCOC1)C(O)O 1458a_100000233687_100000741521 [0,1,0,1,0,0|2,0,0]=4 23490 B12R1.43 O=C(CC1CCOCC1)C(O)O 1458a_100000233687_100000754603 [0,1,0,1,0,0|2,0,0]=4 23491 B12R1.43 O=C(NC1CCCCC1)C(F)F 11a_100000182618_100000210393 [0,1,0,1,0,0|2,0,0]=4 23492 B12R1.43 O=C(NC1CCCCC1)C(F)F 1626a_100000182618_100000210393 [0,1,0,1,0,0|2,0,0]=4 23493 B12R1.43 O=C(NC1CCCCC1)C(F)F 240690a_100000182618_100000210393 [0,1,0,1,0,0|2,0,0]=4 23494 B12R1.43 O=C(NC1CCCCC1)C(F)F 527a_100000182618_100000210393 [0,1,0,1,0,0|2,0,0]=4 23495 B12R1.43 O=C(NC1CCCCC1)C(O)O 240690a_100000182618_100000233687 [0,1,0,1,0,0|2,0,0]=4 23496 B12R1.43 [13CH3]C(=O)C(=O)NC1CCCCC1 1458a_200011297149_200025704644 [0,1,0,1,0,0|1,0,1]=4 23497 B12R1.80 C=C(C)C(=O)N1CCCC1CC 11a_100000754278_100000185857 [0,1,0,1,0,0|1,0,1]=4 23498 B12R1.80 C=C(C)C(=O)N1CCCC1CC 1626a_100000754278_100000185857 [0,1,0,1,0,0|1,0,1]=4 23499 B12R1.80 CC(C)C(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210198 [0,1,0,1,0,0|2,0,0]=4 23500 B12R1.80 CC(C)C(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210198 [0,1,0,1,0,0|2,0,0]=4 23501 B12R1.80 CC(F)C(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000062450 [0,1,0,1,0,0|2,0,0]=4 23502 B12R1.80 CC(F)C(=O)N1CCC[C@@H]1CO 527a_100000745186_100000062450 [0,1,0,1,0,0|2,0,0]=4 23503 B12R1.80 CCC1CCCC1N(C)C(C)C 270004a_200000211004_100000749056 [0,1,0,1,0,0|2,0,0]=4 23504 B12R1.80 CCC1CCCN1C(=O)C(C)C 11a_100000754278_100000210198 [0,1,0,1,0,0|1,0,0]=3 23505 B12R1.80 CCC1CCCN1C(=O)C(C)C 1626a_100000754278_100000210198 [0,1,0,1,0,0|1,0,0]=3 23506 B12R1.80 CCC1CCCN1C(=O)C(C)C 240690a_100000754278_100000210198 [0,1,0,1,0,0|1,0,0]=3 23507 B12R1.80 CCC1CCCN1C(=O)C(C)C 527a_100000754278_100000210198 [0,1,0,1,0,0|1,0,0]=3 23508 B12R1.80 CCC1CCCN1C(=O)C(C)F 11a_100000754278_100000062450 [0,1,0,1,0,0|1,0,0]=3 23509 B12R1.80 CCC1CCCN1C(=O)C(C)F 1626a_100000754278_100000062450 [0,1,0,1,0,0|1,0,0]=3 23510 B12R1.80 CCC1CCCN1C(=O)C(C)F 240690a_100000754278_100000062450 [0,1,0,1,0,0|1,0,0]=3 23511 B12R1.80 CCC1CCCN1C(=O)C(C)F 527a_100000754278_100000062450 [0,1,0,1,0,0|1,0,0]=3 23512 B12R1.80 CCC1CCCN1C(=O)C(F)F 11a_100000754278_100000210393 [0,1,0,1,0,0|2,0,0]=4 23513 B12R1.80 CCC1CCCN1C(=O)C(F)F 1626a_100000754278_100000210393 [0,1,0,1,0,0|2,0,0]=4 23514 B12R1.80 CCC1CCCN1C(=O)C(F)F 240690a_100000754278_100000210393 [0,1,0,1,0,0|2,0,0]=4 23515 B12R1.80 CCC1CCCN1C(=O)C(F)F 527a_100000754278_100000210393 [0,1,0,1,0,0|2,0,0]=4 23516 B12R1.80 CCC1CCCN1C(=O)C(O)O 240690a_100000754278_100000233687 [0,1,0,1,0,0|2,0,0]=4 23517 B12R1.80 CCC1CCCN1C(=O)[C@@H](C)O 240690a_100000754278_100000717761 [0,1,0,1,0,0|1,0,0]=3 23518 B12R1.80 CCC1CCCN1C(=O)[C@H](C)O 1626a_100000754278_217856618621 [0,1,0,1,0,0|1,0,0]=3 23519 B12R1.80 CCC1CCCN1C(=O)[C@H](C)O 240690a_100000754278_217856618621 [0,1,0,1,0,0|1,0,0]=3 23520 B12R1.80 CCN1CCCC1C(=O)C(C)C 1458a_106256033941_100000210206 [0,1,0,1,0,0|1,0,0]=3 23521 B12R1.80 CCN1CCCC1C(=O)N(C)C 240690a_100102631434_106256033941 [0,1,0,1,0,0|2,0,0]=4 23522 B12R1.80 CCN1CCCC1C(=O)N(C)C 527a_100102631434_106256033941 [0,1,0,1,0,0|2,0,0]=4 23523 B12R1.80 CCN1CCC[C@H]1C(=O)N(C)C 2230a_100020603401_100000210202 [0,1,0,1,0,0|2,0,0]=4 23524 B12R1.80 CCN1CCC[C@H]1C(=O)N(C)C 34a_100020603401_100000210202 [0,1,0,1,0,0|2,0,0]=4 23525 B12R1.80 C[C@@H](O)C(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000717761 [0,1,0,1,0,0|2,0,0]=4 23526 B12R1.80 C[C@H](O)C(=O)N1CCC[C@@H]1CO 240690a_100000745186_217856618621 [0,1,0,1,0,0|2,0,0]=4 23527 B12R1.124 C=C(C)C(=O)N1CCCCC1C 11a_100000211376_100000185857 [0,1,0,1,0,0|1,0,1]=4 23528 B12R1.124 C=C(C)C(=O)N1CCCCC1C 1626a_100000211376_100000185857 [0,1,0,1,0,0|1,0,1]=4 23529 B12R1.124 CC(C)C(=O)C1CCCCC1=O 1458a_100000210198_100000204591 [0,1,0,1,0,0|1,0,1]=4 23530 B12R1.124 CC(C)C(=O)C1CCCCC1C 1458a_100011215568_100000210206 [0,1,0,1,0,0|0,0,0]=2 23531 B12R1.124 CC(C)C(=O)C1CCCCC1O 1458a_100011803323_100000210206 [0,1,0,1,0,0|1,0,0]=3 23532 B12R1.124 CC(C)C(=O)N1CCCCC1C 11a_100000211376_100000210198 [0,1,0,1,0,0|1,0,0]=3 23533 B12R1.124 CC(C)C(=O)N1CCCCC1C 1626a_100000211376_100000210198 [0,1,0,1,0,0|1,0,0]=3 23534 B12R1.124 CC(C)C(=O)N1CCCCC1C 240690a_100000211376_100000210198 [0,1,0,1,0,0|1,0,0]=3 23535 B12R1.124 CC(C)C(=O)N1CCCCC1C 527a_100000211376_100000210198 [0,1,0,1,0,0|1,0,0]=3 23536 B12R1.124 CC(C)C(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210198 [0,1,0,1,0,0|2,0,0]=4 23537 B12R1.124 CC(C)C(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210198 [0,1,0,1,0,0|2,0,0]=4 23538 B12R1.124 CC(C)C(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210198 [0,1,0,1,0,0|2,0,0]=4 23539 B12R1.124 CC(C)C(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210206 [0,1,0,1,0,0|1,0,0]=3 23540 B12R1.124 CC(F)C(=O)C1CCCCC1=O 1458a_100000062450_100000204591 [0,1,0,1,0,0|1,0,1]=4 23541 B12R1.124 CC(F)C(=O)N1CCCCC1C 11a_100000211376_100000062450 [0,1,0,1,0,0|1,0,0]=3 23542 B12R1.124 CC(F)C(=O)N1CCCCC1C 1626a_100000211376_100000062450 [0,1,0,1,0,0|1,0,0]=3 23543 B12R1.124 CC(F)C(=O)N1CCCCC1C 240690a_100000211376_100000062450 [0,1,0,1,0,0|1,0,0]=3 23544 B12R1.124 CC(F)C(=O)N1CCCCC1C 527a_100000211376_100000062450 [0,1,0,1,0,0|1,0,0]=3 23545 B12R1.124 CC(F)C(=O)N1CCOC[C@@H]1C 11a_100009815349_100000062450 [0,1,0,1,0,0|2,0,0]=4 23546 B12R1.124 CC(F)C(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000062450 [0,1,0,1,0,0|2,0,0]=4 23547 B12R1.124 CC(F)C(=O)N1CCOC[C@@H]1C 527a_100009815349_100000062450 [0,1,0,1,0,0|2,0,0]=4 23548 B12R1.124 CC1CCCCC1C(=O)N(C)C 11a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 23549 B12R1.124 CC1CCCCC1C(=O)N(C)C 1626a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 23550 B12R1.124 CC1CCCCC1C(=O)N(C)C 240690a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 23551 B12R1.124 CC1CCCCC1C(=O)N(C)C 527a_100102631434_100011215568 [0,1,0,1,0,0|1,0,0]=3 23552 B12R1.124 CC1CCCCC1N(C)C(C)C 270004a_200000211004_100000210921 [0,1,0,1,0,0|2,0,0]=4 23553 B12R1.124 CC1CCCCN1C(=O)C(F)F 11a_100000211376_100000210393 [0,1,0,1,0,0|2,0,0]=4 23554 B12R1.124 CC1CCCCN1C(=O)C(F)F 1626a_100000211376_100000210393 [0,1,0,1,0,0|2,0,0]=4 23555 B12R1.124 CC1CCCCN1C(=O)C(F)F 240690a_100000211376_100000210393 [0,1,0,1,0,0|2,0,0]=4 23556 B12R1.124 CC1CCCCN1C(=O)C(F)F 527a_100000211376_100000210393 [0,1,0,1,0,0|2,0,0]=4 23557 B12R1.124 CC1CCCCN1C(=O)C(O)O 240690a_100000211376_100000233687 [0,1,0,1,0,0|2,0,0]=4 23558 B12R1.124 CC1CCCCN1C(=O)[C@@H](C)O 240690a_100000211376_100000717761 [0,1,0,1,0,0|1,0,0]=3 23559 B12R1.124 CC1CCCCN1C(=O)[C@H](C)O 1626a_100000211376_217856618621 [0,1,0,1,0,0|1,0,0]=3 23560 B12R1.124 CC1CCCCN1C(=O)[C@H](C)O 240690a_100000211376_217856618621 [0,1,0,1,0,0|1,0,0]=3 23561 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 11a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 23562 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 1626a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 23563 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 240690a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 23564 B12R1.124 CN(C)C(=O)[C@H]1CCCCN1C 527a_100102631434_100000767060 [0,1,0,1,0,0|2,0,0]=4 23565 B12R1.124 C[C@@H](O)C(=O)C1CCCCC1=O 1458a_100000717761_100000204591 [0,1,0,1,0,0|1,0,1]=4 23566 B12R1.124 C[C@@H](O)C(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000717761 [0,1,0,1,0,0|2,0,0]=4 23567 B12R1.124 C[C@H](O)C(=O)C1CCCCC1=O 1458a_217856618621_100000204591 [0,1,0,1,0,0|1,0,1]=4 23568 B12R1.124 C[C@H](O)C(=O)N1CCOC[C@@H]1C 240690a_100009815349_217856618621 [0,1,0,1,0,0|2,0,0]=4 23569 B12R1.145 CC(=O)C(=O)CN1CCC[C@@H]1C 269982a_100020605311_100011261029 [0,1,0,1,0,0|1,0,1]=4 23570 B12R1.145 CC(=O)C(=O)CN1CCC[C@H]1C 269982a_100015189458_100011261029 [0,1,0,1,0,0|1,0,1]=4 23571 B12R1.145 CC(=O)C(=O)CN1CCC[C@H]1C 34a_100015189458_100011261029 [0,1,0,1,0,0|1,0,1]=4 23572 B12R1.145 CC(C)C(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000753385 [0,1,0,1,0,0|1,0,0]=3 23573 B12R1.145 CC(C)C(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000753385 [0,1,0,1,0,0|1,0,0]=3 23574 B12R1.145 CC(C)C(=O)CN1CCC[C@H]1C 2230a_100015189458_100000753385 [0,1,0,1,0,0|1,0,0]=3 23575 B12R1.145 CC(C)C(=O)CN1CCC[C@H]1C 269982a_100015189458_100000753385 [0,1,0,1,0,0|1,0,0]=3 23576 B12R1.145 CC(C)C(=O)CN1CCC[C@H]1C 34a_100015189458_100000753385 [0,1,0,1,0,0|1,0,0]=3 23577 B12R1.145 CC(C)C(=O)CN1CCSC1C 2230a_200011216479_100000753385 [0,1,0,1,0,0|2,0,0]=4 23578 B12R1.145 CC(C)C(=O)CN1CCSC1C 269982a_200011216479_100000753385 [0,1,0,1,0,0|2,0,0]=4 23579 B12R1.145 CC(C)C(=O)CN1CCSC1C 34a_200011216479_100000753385 [0,1,0,1,0,0|2,0,0]=4 23580 B12R1.145 CC(C)C(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210198 [0,1,0,1,0,0|2,0,0]=4 23581 B12R1.145 CC(C)C(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210198 [0,1,0,1,0,0|2,0,0]=4 23582 B12R1.145 CC(F)C(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000062450 [0,1,0,1,0,0|2,0,0]=4 23583 B12R1.145 CC(F)C(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000062450 [0,1,0,1,0,0|2,0,0]=4 23584 B12R1.145 C[C@@H](O)C(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000717761 [0,1,0,1,0,0|2,0,0]=4 23585 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 2230a_100015189458_100000185267 [0,1,0,1,0,0|2,0,0]=4 23586 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 269982a_100015189458_100000185267 [0,1,0,1,0,0|2,0,0]=4 23587 B12R1.145 C[C@@H]1CCCN1CC(=O)N(C)C 34a_100015189458_100000692301 [0,1,0,1,0,0|2,0,0]=4 23588 B12R1.145 C[C@H](O)C(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_217856618621 [0,1,0,1,0,0|2,0,0]=4 23589 B12R1.145 C[C@H]1CCCN1CC(=O)N(C)C 2230a_100020605311_100000185267 [0,1,0,1,0,0|2,0,0]=4 23590 B12R1.145 C[C@H]1CCCN1CC(=O)N(C)C 269982a_100020605311_100000185267 [0,1,0,1,0,0|2,0,0]=4 23591 B12R1.161 COCC1CCN1C(=O)C(C)C 11a_100015195929_100000210198 [0,1,0,1,0,0|2,0,0]=4 23592 B12R1.161 COCC1CCN1C(=O)C(C)C 1626a_100015195929_100000210198 [0,1,0,1,0,0|2,0,0]=4 23593 B12R1.161 COCC1CCN1C(=O)C(C)C 240690a_100015195929_100000210198 [0,1,0,1,0,0|2,0,0]=4 23594 B12R1.161 COCC1CCN1C(=O)C(C)C 527a_100015195929_100000210198 [0,1,0,1,0,0|2,0,0]=4 23595 B12R1.161 COCC1CCN1C(=O)C(C)F 11a_100015195929_100000062450 [0,1,0,1,0,0|2,0,0]=4 23596 B12R1.161 COCC1CCN1C(=O)C(C)F 1626a_100015195929_100000062450 [0,1,0,1,0,0|2,0,0]=4 23597 B12R1.161 COCC1CCN1C(=O)C(C)F 240690a_100015195929_100000062450 [0,1,0,1,0,0|2,0,0]=4 23598 B12R1.161 COCC1CCN1C(=O)C(C)F 527a_100015195929_100000062450 [0,1,0,1,0,0|2,0,0]=4 23599 B12R1.161 COCC1CCN1C(=O)[C@@H](C)O 240690a_100015195929_100000717761 [0,1,0,1,0,0|2,0,0]=4 23600 B12R1.161 COCC1CCN1C(=O)[C@H](C)O 1626a_100015195929_217856618621 [0,1,0,1,0,0|2,0,0]=4 23601 B12R1.161 COCC1CCN1C(=O)[C@H](C)O 240690a_100015195929_217856618621 [0,1,0,1,0,0|2,0,0]=4 23602 B12R1.214 CC(=O)C(=O)COCC1CC1C 34a_100000744939_100011261029 [0,1,0,1,0,0|1,0,1]=4 23603 B12R1.214 CC(C)C(=O)COCC1CC1C 34a_100000744939_100000753385 [0,1,0,1,0,0|1,0,0]=3 23604 B12R1.214 CC(C)C(=O)COCC1CC1C 7a_100000744939_100000753385 [0,1,0,1,0,0|1,0,0]=3 23605 B12R1.214 CC1CC1COCC(=O)N(C)C 34a_100000744939_100000692301 [0,1,0,1,0,0|2,0,0]=4 23606 B12R1.214 CC1CC1COCC(=O)N(C)C 7a_100000744939_100000692301 [0,1,0,1,0,0|2,0,0]=4 23607 B12R1.231 CC(C)C(=O)CCC1CCC1=O 1458a_100000210198_200016118888 [0,1,0,1,0,0|1,0,1]=4 23608 B12R1.231 CC(F)C(=O)CCC1CCC1=O 1458a_100000062450_200016118888 [0,1,0,1,0,0|1,0,1]=4 23609 B12R1.231 CC1CCN1CCC(=O)N(C)C 269982a_100000755817_100000737620 [0,1,0,1,0,0|2,0,0]=4 23610 B12R1.231 C[C@@H](O)C(=O)CCC1CCC1=O 1458a_100000717761_200016118888 [0,1,0,1,0,0|1,0,1]=4 23611 B12R1.231 C[C@H](O)C(=O)CCC1CCC1=O 1458a_217856618621_200016118888 [0,1,0,1,0,0|1,0,1]=4 23612 B12R1.264 C=C(C)C(=O)CCC1CCCC1 1458a_100000185857_100000760354 [0,1,0,1,0,0|0,0,1]=3 23613 B12R1.264 C=C(C)C(=O)CCN1CCCC1 1458a_100000185857_100000004467 [0,1,0,1,0,0|1,0,1]=4 23614 B12R1.264 C=C(C)C(=O)NCC1CCCC1 11a_100000737975_100000185857 [0,1,0,1,0,0|1,0,1]=4 23615 B12R1.264 C=C(C)C(=O)NCC1CCCC1 1626a_100000737975_100000185857 [0,1,0,1,0,0|1,0,1]=4 23616 B12R1.264 CC(=O)C(=O)CNC1CCCC1 34a_100000211070_100011261029 [0,1,0,1,0,0|1,0,1]=4 23617 B12R1.264 CC(=O)C(=O)COC1CCCC1 34a_100000210269_100011261029 [0,1,0,1,0,0|1,0,1]=4 23618 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011217020_100011261029 [0,1,0,1,0,0|1,0,1]=4 23619 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011261029_100000179811 [0,1,0,1,0,0|1,0,1]=4 23620 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000210198_100000760354 [0,1,0,1,0,0|0,0,0]=2 23621 B12R1.264 CC(C)C(=O)CCC1CCCC1 1458a_100000211120_100000210206 [0,1,0,1,0,0|0,0,0]=2 23622 B12R1.264 CC(C)C(=O)CCC1CCCO1 1458a_100011247709_100000210206 [0,1,0,1,0,0|1,0,0]=3 23623 B12R1.264 CC(C)C(=O)CCC1OCCO1 1458a_100000082924_100000210206 [0,1,0,1,0,0|2,0,0]=4 23624 B12R1.264 CC(C)C(=O)CCC1OCCO1 1458a_100000210198_100000740749 [0,1,0,1,0,0|2,0,0]=4 23625 B12R1.264 CC(C)C(=O)CCN1CCCC1 1458a_100000210198_100000004467 [0,1,0,1,0,0|1,0,0]=3 23626 B12R1.264 CC(C)C(=O)CCN1CCCC1 1458a_100000738983_100000210206 [0,1,0,1,0,0|1,0,0]=3 23627 B12R1.264 CC(C)C(=O)CCN1CCCO1 1458a_200015187630_100000210206 [0,1,0,1,0,0|2,0,0]=4 23628 B12R1.264 CC(C)C(=O)CNC1CCCC1 2230a_100000211070_100000753385 [0,1,0,1,0,0|1,0,0]=3 23629 B12R1.264 CC(C)C(=O)CNC1CCCC1 34a_100000211070_100000753385 [0,1,0,1,0,0|1,0,0]=3 23630 B12R1.264 CC(C)C(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000753385 [0,1,0,1,0,0|2,0,0]=4 23631 B12R1.264 CC(C)C(=O)CN[C@H]1CCOC1 2230a_100015188467_100000753385 [0,1,0,1,0,0|2,0,0]=4 23632 B12R1.264 CC(C)C(=O)CN[C@H]1CCOC1 34a_100015188467_100000753385 [0,1,0,1,0,0|2,0,0]=4 23633 B12R1.264 CC(C)C(=O)COC1CCCC1 1458a_100000741352_100000210206 [0,1,0,1,0,0|1,0,0]=3 23634 B12R1.264 CC(C)C(=O)COC1CCCC1 34a_100000210269_100000753385 [0,1,0,1,0,0|1,0,0]=3 23635 B12R1.264 CC(C)C(=O)COC1CCCC1 7a_100000210269_100000753385 [0,1,0,1,0,0|1,0,0]=3 23636 B12R1.264 CC(C)C(=O)COC1CCCO1 34a_100000085407_100000753385 [0,1,0,1,0,0|2,0,0]=4 23637 B12R1.264 CC(C)C(=O)COC1CCSC1 7a_100011232664_100000753385 [0,1,0,1,0,0|2,0,0]=4 23638 B12R1.264 CC(C)C(=O)CO[C@H]1CCOC1 34a_100000717292_100000753385 [0,1,0,1,0,0|2,0,0]=4 23639 B12R1.264 CC(C)C(=O)CSC1CCCC1 62a_100000753385_100000179811 [0,1,0,1,0,0|1,0,0]=3 23640 B12R1.264 CC(C)C(=O)CSC1CCCC1 62a_100011217020_100000753385 [0,1,0,1,0,0|1,0,0]=3 23641 B12R1.264 CC(C)C(=O)CSC1CCOC1 62a_100000753385_100000690089 [0,1,0,1,0,0|2,0,0]=4 23642 B12R1.264 CC(C)C(=O)NCC1CCCC1 11a_100000737975_100000210198 [0,1,0,1,0,0|1,0,0]=3 23643 B12R1.264 CC(C)C(=O)NCC1CCCC1 1626a_100000737975_100000210198 [0,1,0,1,0,0|1,0,0]=3 23644 B12R1.264 CC(C)C(=O)NCC1CCCC1 240690a_100000737975_100000210198 [0,1,0,1,0,0|1,0,0]=3 23645 B12R1.264 CC(C)C(=O)NCC1CCCC1 527a_100000737975_100000210198 [0,1,0,1,0,0|1,0,0]=3 23646 B12R1.264 CC(C)C(=O)NCC1CCOC1 11a_100000737293_100000210198 [0,1,0,1,0,0|2,0,0]=4 23647 B12R1.264 CC(C)C(=O)NCC1CCOC1 1626a_100000737293_100000210198 [0,1,0,1,0,0|2,0,0]=4 23648 B12R1.264 CC(C)C(=O)NCC1CCOC1 240690a_100000737293_100000210198 [0,1,0,1,0,0|2,0,0]=4 23649 B12R1.264 CC(C)C(=O)NCC1CCOC1 527a_100000737293_100000210198 [0,1,0,1,0,0|2,0,0]=4 23650 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210198 [0,1,0,1,0,0|2,0,0]=4 23651 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210198 [0,1,0,1,0,0|2,0,0]=4 23652 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210198 [0,1,0,1,0,0|2,0,0]=4 23653 B12R1.264 CC(C)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210198 [0,1,0,1,0,0|2,0,0]=4 23654 B12R1.264 CC(C)C(=O)NNC1CCCC1 22a_100000737850_100000210198 [0,1,0,1,0,0|2,0,0]=4 23655 B12R1.264 CC(C)N(C)CCC1CCCC1 269982a_200000211004_100000760354 [0,1,0,1,0,0|2,0,0]=4 23656 B12R1.264 CC(F)C(=O)CCC1CCCC1 1458a_100000062450_100000760354 [0,1,0,1,0,0|0,0,0]=2 23657 B12R1.264 CC(F)C(=O)CCC1OCCO1 1458a_100000062450_100000740749 [0,1,0,1,0,0|2,0,0]=4 23658 B12R1.264 CC(F)C(=O)CCN1CCCC1 1458a_100000062450_100000004467 [0,1,0,1,0,0|1,0,0]=3 23659 B12R1.264 CC(F)C(=O)NCC1CCCC1 11a_100000737975_100000062450 [0,1,0,1,0,0|1,0,0]=3 23660 B12R1.264 CC(F)C(=O)NCC1CCCC1 1626a_100000737975_100000062450 [0,1,0,1,0,0|1,0,0]=3 23661 B12R1.264 CC(F)C(=O)NCC1CCCC1 240690a_100000737975_100000062450 [0,1,0,1,0,0|1,0,0]=3 23662 B12R1.264 CC(F)C(=O)NCC1CCCC1 527a_100000737975_100000062450 [0,1,0,1,0,0|1,0,0]=3 23663 B12R1.264 CC(F)C(=O)NCC1CCOC1 11a_100000737293_100000062450 [0,1,0,1,0,0|2,0,0]=4 23664 B12R1.264 CC(F)C(=O)NCC1CCOC1 1626a_100000737293_100000062450 [0,1,0,1,0,0|2,0,0]=4 23665 B12R1.264 CC(F)C(=O)NCC1CCOC1 240690a_100000737293_100000062450 [0,1,0,1,0,0|2,0,0]=4 23666 B12R1.264 CC(F)C(=O)NCC1CCOC1 527a_100000737293_100000062450 [0,1,0,1,0,0|2,0,0]=4 23667 B12R1.264 CC(F)C(=O)NC[C@@H]1CCCO1 11a_100020590478_100000062450 [0,1,0,1,0,0|2,0,0]=4 23668 B12R1.264 CC(F)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000062450 [0,1,0,1,0,0|2,0,0]=4 23669 B12R1.264 CC(F)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000062450 [0,1,0,1,0,0|2,0,0]=4 23670 B12R1.264 CC(F)C(=O)NC[C@@H]1CCCO1 527a_100020590478_100000062450 [0,1,0,1,0,0|2,0,0]=4 23671 B12R1.264 CC(F)C(=O)NNC1CCCC1 22a_100000737850_100000062450 [0,1,0,1,0,0|2,0,0]=4 23672 B12R1.264 CN(C)C(=O)CCC1CCCC1 11a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 23673 B12R1.264 CN(C)C(=O)CCC1CCCC1 1626a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 23674 B12R1.264 CN(C)C(=O)CCC1CCCC1 240690a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 23675 B12R1.264 CN(C)C(=O)CCC1CCCC1 527a_100102631434_100000211120 [0,1,0,1,0,0|1,0,0]=3 23676 B12R1.264 CN(C)C(=O)CCC1CCCO1 11a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 23677 B12R1.264 CN(C)C(=O)CCC1CCCO1 1626a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 23678 B12R1.264 CN(C)C(=O)CCC1CCCO1 240690a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 23679 B12R1.264 CN(C)C(=O)CCC1CCCO1 527a_100102631434_100011247709 [0,1,0,1,0,0|2,0,0]=4 23680 B12R1.264 CN(C)C(=O)CCN1CCCC1 2230a_100000188435_100000737620 [0,1,0,1,0,0|2,0,0]=4 23681 B12R1.264 CN(C)C(=O)CCN1CCCC1 240690a_100102631434_100000738983 [0,1,0,1,0,0|2,0,0]=4 23682 B12R1.264 CN(C)C(=O)CCN1CCCC1 269982a_100000188435_100000737620 [0,1,0,1,0,0|2,0,0]=4 23683 B12R1.264 CN(C)C(=O)CNC1CCCC1 2230a_100000211070_100000185267 [0,1,0,1,0,0|2,0,0]=4 23684 B12R1.264 CN(C)C(=O)CNC1CCCC1 2230a_100015183351_100000179811 [0,1,0,1,0,0|2,0,0]=4 23685 B12R1.264 CN(C)C(=O)CNC1CCCC1 270004a_100015183351_100000210133 [0,1,0,1,0,0|2,0,0]=4 23686 B12R1.264 CN(C)C(=O)CNC1CCCC1 34a_100000211070_100000692301 [0,1,0,1,0,0|2,0,0]=4 23687 B12R1.264 CN(C)C(=O)COC1CCCC1 11a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 23688 B12R1.264 CN(C)C(=O)COC1CCCC1 1626a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 23689 B12R1.264 CN(C)C(=O)COC1CCCC1 240690a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 23690 B12R1.264 CN(C)C(=O)COC1CCCC1 34a_100000210269_100000692301 [0,1,0,1,0,0|2,0,0]=4 23691 B12R1.264 CN(C)C(=O)COC1CCCC1 527a_100102631434_100000741352 [0,1,0,1,0,0|2,0,0]=4 23692 B12R1.264 CN(C)C(=O)COC1CCCC1 7a_100000210269_100000692301 [0,1,0,1,0,0|2,0,0]=4 23693 B12R1.264 CN(C)C(=O)CSC1CCCC1 62a_100000692301_100000179811 [0,1,0,1,0,0|2,0,0]=4 23694 B12R1.264 CN(C)C(=O)CSC1CCCC1 62a_100011217020_100000692301 [0,1,0,1,0,0|2,0,0]=4 23695 B12R1.264 CN(C)C(=O)NCC1CCCC1 2708a_100000737975_100102631434 [0,1,0,1,0,0|2,0,0]=4 23696 B12R1.264 C[C@@H](O)C(=O)CCC1CCCC1 1458a_100000717761_100000760354 [0,1,0,1,0,0|0,0,0]=2 23697 B12R1.264 C[C@@H](O)C(=O)CCC1OCCO1 1458a_100000717761_100000740749 [0,1,0,1,0,0|2,0,0]=4 23698 B12R1.264 C[C@@H](O)C(=O)CCN1CCCC1 1458a_100000717761_100000004467 [0,1,0,1,0,0|1,0,0]=3 23699 B12R1.264 C[C@@H](O)C(=O)NCC1CCCC1 240690a_100000737975_100000717761 [0,1,0,1,0,0|1,0,0]=3 23700 B12R1.264 C[C@@H](O)C(=O)NCC1CCOC1 240690a_100000737293_100000717761 [0,1,0,1,0,0|2,0,0]=4 23701 B12R1.264 C[C@@H](O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000717761 [0,1,0,1,0,0|2,0,0]=4 23702 B12R1.264 C[C@@H](O)C(=O)NNC1CCCC1 22a_100000737850_100000717761 [0,1,0,1,0,0|2,0,0]=4 23703 B12R1.264 C[C@H](O)C(=O)CCC1CCCC1 1458a_217856618621_100000760354 [0,1,0,1,0,0|0,0,0]=2 23704 B12R1.264 C[C@H](O)C(=O)CCC1OCCO1 1458a_217856618621_100000740749 [0,1,0,1,0,0|2,0,0]=4 23705 B12R1.264 C[C@H](O)C(=O)CCN1CCCC1 1458a_217856618621_100000004467 [0,1,0,1,0,0|1,0,0]=3 23706 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 1626a_100000737975_217856618621 [0,1,0,1,0,0|1,0,0]=3 23707 B12R1.264 C[C@H](O)C(=O)NCC1CCCC1 240690a_100000737975_217856618621 [0,1,0,1,0,0|1,0,0]=3 23708 B12R1.264 C[C@H](O)C(=O)NCC1CCOC1 1626a_100000737293_217856618621 [0,1,0,1,0,0|2,0,0]=4 23709 B12R1.264 C[C@H](O)C(=O)NCC1CCOC1 240690a_100000737293_217856618621 [0,1,0,1,0,0|2,0,0]=4 23710 B12R1.264 C[C@H](O)C(=O)NC[C@@H]1CCCO1 1626a_100020590478_217856618621 [0,1,0,1,0,0|2,0,0]=4 23711 B12R1.264 C[C@H](O)C(=O)NC[C@@H]1CCCO1 240690a_100020590478_217856618621 [0,1,0,1,0,0|2,0,0]=4 23712 B12R1.264 C[C@H](O)C(=O)NNC1CCCC1 22a_100000737850_217856618621 [0,1,0,1,0,0|2,0,0]=4 23713 B12R1.264 O=C(CCC1CCCC1)C(O)O 1458a_100000233687_100000760354 [0,1,0,1,0,0|1,0,0]=3 23714 B12R1.264 O=C(CCN1CCCC1)C(O)O 1458a_100000233687_100000004467 [0,1,0,1,0,0|2,0,0]=4 23715 B12R1.264 O=C(NCC1CCCC1)C(F)F 11a_100000737975_100000210393 [0,1,0,1,0,0|2,0,0]=4 23716 B12R1.264 O=C(NCC1CCCC1)C(F)F 1626a_100000737975_100000210393 [0,1,0,1,0,0|2,0,0]=4 23717 B12R1.264 O=C(NCC1CCCC1)C(F)F 240690a_100000737975_100000210393 [0,1,0,1,0,0|2,0,0]=4 23718 B12R1.264 O=C(NCC1CCCC1)C(F)F 527a_100000737975_100000210393 [0,1,0,1,0,0|2,0,0]=4 23719 B12R1.264 O=C(NCC1CCCC1)C(O)O 240690a_100000737975_100000233687 [0,1,0,1,0,0|2,0,0]=4 23720 B12R1.385 CCCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210303 [0,1,0,1,0,0|2,0,0]=4 23721 B12R1.385 CCCNC1CCC(=O)N(C1)C 34a_100011935005_100000210303 [0,1,0,1,0,0|2,0,0]=4 23722 B12R1.457 CCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210211 [0,1,0,1,0,0|2,0,0]=4 23723 B12R1.457 CCCCNC1CC(=O)N(C1)C 34a_100000748898_100000210210 [0,1,0,1,0,0|2,0,0]=4 23724 B12R1.457 CCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210303 [0,1,0,1,0,0|2,0,0]=4 23725 B12R1.543 CCCN1CCNC(=O)C1(C)C 2230a_100000751695_100000210303 [0,1,0,1,0,0|2,0,0]=4 23726 B12R1.543 CCCN1CCNC(=O)C1(C)C 269982a_100000751695_100000210303 [0,1,0,1,0,0|2,0,0]=4 23727 B12R1.543 CCCN1CCNC(=O)C1(C)C 34a_100000751695_100000210303 [0,1,0,1,0,0|2,0,0]=4 23728 B12R1.1335 CC(C)N1CCCCCCCC1 2230a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 23729 B12R1.1335 CC(C)N1CCCCCCCC1 269982a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 23730 B12R1.1335 CC(C)N1CCCCCCCC1 34a_100000039187_100000210206 [0,1,0,1,0,0|2,0,0]=4 23731 B12R1.1396 CC(=O)C(=O)CNCC1CCC1 34a_100000738700_100011261029 [0,1,0,1,0,0|1,0,1]=4 23732 B12R1.1396 CC(=O)C(=O)COCC1CCC1 34a_100000760304_100011261029 [0,1,0,1,0,0|1,0,1]=4 23733 B12R1.1396 CC(=O)C(=O)CSCC1CCC1 62a_100000763275_100011261029 [0,1,0,1,0,0|1,0,1]=4 23734 B12R1.1396 CC(=O)C(=O)CSCC1CCC1 62a_100011261029_100000763275 [0,1,0,1,0,0|1,0,1]=4 23735 B12R1.1396 CC(C)C(=O)CNCC1CCC1 2230a_100000738700_100000753385 [0,1,0,1,0,0|1,0,0]=3 23736 B12R1.1396 CC(C)C(=O)CNCC1CCC1 34a_100000738700_100000753385 [0,1,0,1,0,0|1,0,0]=3 23737 B12R1.1396 CC(C)C(=O)CNCC1COC1 2230a_100015281925_100000753385 [0,1,0,1,0,0|2,0,0]=4 23738 B12R1.1396 CC(C)C(=O)CNCC1COC1 34a_100015281925_100000753385 [0,1,0,1,0,0|2,0,0]=4 23739 B12R1.1396 CC(C)C(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000753385 [0,1,0,1,0,0|2,0,0]=4 23740 B12R1.1396 CC(C)C(=O)CNC[C@@H]1CCO1 34a_100020831831_100000753385 [0,1,0,1,0,0|2,0,0]=4 23741 B12R1.1396 CC(C)C(=O)COCC1CCC1 34a_100000760304_100000753385 [0,1,0,1,0,0|1,0,0]=3 23742 B12R1.1396 CC(C)C(=O)COCC1CCO1 34a_100000039022_100000753385 [0,1,0,1,0,0|2,0,0]=4 23743 B12R1.1396 CC(C)C(=O)COCC1CNC1 34a_100016987283_100000753385 [0,1,0,1,0,0|2,0,0]=4 23744 B12R1.1396 CC(C)C(=O)COCC1COC1 34a_100000060846_100000753385 [0,1,0,1,0,0|2,0,0]=4 23745 B12R1.1396 CC(C)C(=O)CSCC1CCC1 62a_100000753385_100000763275 [0,1,0,1,0,0|1,0,0]=3 23746 B12R1.1396 CC(C)C(=O)CSCC1CCC1 62a_100000763275_100000753385 [0,1,0,1,0,0|1,0,0]=3 23747 B12R1.1396 CC(C)C(=O)CSCC1CCO1 62a_100000103362_100000753385 [0,1,0,1,0,0|2,0,0]=4 23748 B12R1.1396 CC(C)C(=O)CSCC1CCO1 62a_100000753385_100000103362 [0,1,0,1,0,0|2,0,0]=4 23749 B12R1.1396 CC(C)C(=O)CSCC1COC1 62a_100000753385_100010264016 [0,1,0,1,0,0|2,0,0]=4 23750 B12R1.1396 CC(C)C(=O)CSCC1COC1 62a_100010264016_100000753385 [0,1,0,1,0,0|2,0,0]=4 23751 B12R1.1396 CC(C)C(=O)NCCN1CCC1 240690a_100000691440_100000210198 [0,1,0,1,0,0|2,0,0]=4 23752 B12R1.1396 CC(C)C(=O)NNCC1CCC1 22a_200020586977_100000210198 [0,1,0,1,0,0|2,0,0]=4 23753 B12R1.1396 CC(C)C(=O)OCSC1CCC1 62a_100000139345_100000749161 [0,1,0,1,0,0|2,0,0]=4 23754 B12R1.1396 CC(F)C(=O)NCCN1CCC1 240690a_100000691440_100000062450 [0,1,0,1,0,0|2,0,0]=4 23755 B12R1.1396 CC(F)C(=O)NNCC1CCC1 22a_200020586977_100000062450 [0,1,0,1,0,0|2,0,0]=4 23756 B12R1.1396 CN(C)C(=O)CCCN1CCC1 269982a_100000754969_100000737642 [0,1,0,1,0,0|2,0,0]=4 23757 B12R1.1396 CN(C)C(=O)CCNC1CCC1 2230a_100000749019_100000737620 [0,1,0,1,0,0|2,0,0]=4 23758 B12R1.1396 CN(C)C(=O)CCNC1CCC1 270004a_100000738053_100000241760 [0,1,0,1,0,0|2,0,0]=4 23759 B12R1.1396 CN(C)C(=O)CCOC1CCC1 34a_200000747469_100000749161 [0,1,0,1,0,0|2,0,0]=4 23760 B12R1.1396 CN(C)C(=O)CCSC1CCC1 62a_100000737620_100000749161 [0,1,0,1,0,0|2,0,0]=4 23761 B12R1.1396 CN(C)C(=O)CNCC1CCC1 2230a_100000738700_100000185267 [0,1,0,1,0,0|2,0,0]=4 23762 B12R1.1396 CN(C)C(=O)CNCC1CCC1 2230a_100015183351_100000763275 [0,1,0,1,0,0|2,0,0]=4 23763 B12R1.1396 CN(C)C(=O)CNCC1CCC1 34a_100000738700_100000692301 [0,1,0,1,0,0|2,0,0]=4 23764 B12R1.1396 CN(C)C(=O)COCC1CCC1 34a_100000760304_100000692301 [0,1,0,1,0,0|2,0,0]=4 23765 B12R1.1396 CN(C)C(=O)CSCC1CCC1 62a_100000692301_100000763275 [0,1,0,1,0,0|2,0,0]=4 23766 B12R1.1396 CN(C)C(=O)CSCC1CCC1 62a_100000763275_100000692301 [0,1,0,1,0,0|2,0,0]=4 23767 B12R1.1396 C[C@@H](O)C(=O)NCCN1CCC1 240690a_100000691440_100000717761 [0,1,0,1,0,0|2,0,0]=4 23768 B12R1.1396 C[C@@H](O)C(=O)NNCC1CCC1 22a_200020586977_100000717761 [0,1,0,1,0,0|2,0,0]=4 23769 B12R1.1396 C[C@H](O)C(=O)NCCN1CCC1 240690a_100000691440_217856618621 [0,1,0,1,0,0|2,0,0]=4 23770 B12R1.1396 C[C@H](O)C(=O)NNCC1CCC1 22a_200020586977_217856618621 [0,1,0,1,0,0|2,0,0]=4 23771 B12R1.1397 CC(=O)C(=O)CNCCC1CC1 34a_100000764129_100011261029 [0,1,0,1,0,0|1,0,1]=4 23772 B12R1.1397 CC(=O)C(=O)COCCC1CC1 34a_100000754188_100011261029 [0,1,0,1,0,0|1,0,1]=4 23773 B12R1.1397 CC(=O)C(=O)CSCCC1CC1 62a_100000764125_100011261029 [0,1,0,1,0,0|1,0,1]=4 23774 B12R1.1397 CC(=O)C(=O)CSCCC1CC1 62a_100011261029_100000764125 [0,1,0,1,0,0|1,0,1]=4 23775 B12R1.1397 CC(C)C(=O)CNCCC1CC1 34a_100000764129_100000753385 [0,1,0,1,0,0|1,0,0]=3 23776 B12R1.1397 CC(C)C(=O)COCCC1CC1 34a_100000754188_100000753385 [0,1,0,1,0,0|1,0,0]=3 23777 B12R1.1397 CC(C)C(=O)COCCC1CC1 7a_100000754188_100000753385 [0,1,0,1,0,0|1,0,0]=3 23778 B12R1.1397 CC(C)C(=O)COCC[C@@H]1CO1 34a_100009820653_100000753385 [0,1,0,1,0,0|2,0,0]=4 23779 B12R1.1397 CC(C)C(=O)CSCCC1CC1 62a_100000753385_100000764125 [0,1,0,1,0,0|1,0,0]=3 23780 B12R1.1397 CC(C)C(=O)CSCCC1CC1 62a_100000764125_100000753385 [0,1,0,1,0,0|1,0,0]=3 23781 B12R1.1397 CC(C)C(=O)CSCCC1CO1 62a_100000732470_100000753385 [0,1,0,1,0,0|2,0,0]=4 23782 B12R1.1397 CC(C)C(=O)CSCCC1CO1 62a_100000753385_100000732470 [0,1,0,1,0,0|2,0,0]=4 23783 B12R1.1397 CC(C)C(=O)NCCNC1CC1 34a_100000752568_100000211595 [0,1,0,1,0,0|2,0,0]=4 23784 B12R1.1397 CC(C)C(=O)OCSCC1CC1 62a_100000139345_100000742324 [0,1,0,1,0,0|2,0,0]=4 23785 B12R1.1397 CC(C)C(=O)OCSCC1CC1 62a_100000756562_100000139345 [0,1,0,1,0,0|2,0,0]=4 23786 B12R1.1397 CN(C)C(=O)CCCSC1CC1 62a_100000737642_100000211595 [0,1,0,1,0,0|2,0,0]=4 23787 B12R1.1397 CN(C)C(=O)CCNCC1CC1 2230a_100000735609_100000737620 [0,1,0,1,0,0|2,0,0]=4 23788 B12R1.1397 CN(C)C(=O)CCNCC1CC1 2230a_100000738053_100000742324 [0,1,0,1,0,0|2,0,0]=4 23789 B12R1.1397 CN(C)C(=O)CCNCC1CC1 269862a_100000738053_100000741477 [0,1,0,1,0,0|2,0,0]=4 23790 B12R1.1397 CN(C)C(=O)CCOCC1CC1 34a_200000747469_100000742324 [0,1,0,1,0,0|2,0,0]=4 23791 B12R1.1397 CN(C)C(=O)CCSCC1CC1 62a_100000737620_100000742324 [0,1,0,1,0,0|2,0,0]=4 23792 B12R1.1397 CN(C)C(=O)CCSCC1CC1 62a_100000756562_100000737620 [0,1,0,1,0,0|2,0,0]=4 23793 B12R1.1397 CN(C)C(=O)CNCCC1CC1 2230a_100015183351_100000694398 [0,1,0,1,0,0|2,0,0]=4 23794 B12R1.1397 CN(C)C(=O)CNCCC1CC1 34a_100000764129_100000692301 [0,1,0,1,0,0|2,0,0]=4 23795 B12R1.1397 CN(C)C(=O)COCCC1CC1 34a_100000754188_100000692301 [0,1,0,1,0,0|2,0,0]=4 23796 B12R1.1397 CN(C)C(=O)COCCC1CC1 7a_100000754188_100000692301 [0,1,0,1,0,0|2,0,0]=4 23797 B12R1.1397 CN(C)C(=O)CSCCC1CC1 62a_100000692301_100000764125 [0,1,0,1,0,0|2,0,0]=4 23798 B12R1.1397 CN(C)C(=O)CSCCC1CC1 62a_100000764125_100000692301 [0,1,0,1,0,0|2,0,0]=4 23799 B12R1.2197 C=C(C)C(=O)C1CCCCCC1 1458a_100000185857_100011217769 [0,1,0,1,0,0|0,0,1]=3 23800 B12R1.2197 C=C(C)C(=O)N1CCCCCC1 11a_100000185865_100000185857 [0,1,0,1,0,0|1,0,1]=4 23801 B12R1.2197 C=C(C)C(=O)N1CCCCCC1 1626a_100000185865_100000185857 [0,1,0,1,0,0|1,0,1]=4 23802 B12R1.2197 CC(C)C(=O)C1CCC=CCC1 1458a_100000048548_100000210206 [0,1,0,1,0,0|0,0,2]=4 23803 B12R1.2197 CC(C)C(=O)C1CCCCCC1 1458a_100000210198_100011217769 [0,1,0,1,0,0|0,0,0]=2 23804 B12R1.2197 CC(C)C(=O)C1CCCCCC1 1458a_100000749507_100000210206 [0,1,0,1,0,0|0,0,0]=2 23805 B12R1.2197 CC(C)C(=O)N1CCCCCC1 11a_100000185865_100000210198 [0,1,0,1,0,0|1,0,0]=3 23806 B12R1.2197 CC(C)C(=O)N1CCCCCC1 1626a_100000185865_100000210198 [0,1,0,1,0,0|1,0,0]=3 23807 B12R1.2197 CC(C)C(=O)N1CCCCCC1 240690a_100000185865_100000210198 [0,1,0,1,0,0|1,0,0]=3 23808 B12R1.2197 CC(C)C(=O)N1CCCCCC1 527a_100000185865_100000210198 [0,1,0,1,0,0|1,0,0]=3 23809 B12R1.2197 CC(C)C(=O)N1CCCOCC1 11a_100000685342_100000210198 [0,1,0,1,0,0|2,0,0]=4 23810 B12R1.2197 CC(C)C(=O)N1CCCOCC1 1626a_100000685342_100000210198 [0,1,0,1,0,0|2,0,0]=4 23811 B12R1.2197 CC(C)C(=O)N1CCCOCC1 240690a_100000685342_100000210198 [0,1,0,1,0,0|2,0,0]=4 23812 B12R1.2197 CC(C)C(=O)N1CCCOCC1 527a_100000685342_100000210198 [0,1,0,1,0,0|2,0,0]=4 23813 B12R1.2197 CC(C)N(C)C1CCCCCC1 2230a_100015185097_100000210206 [0,1,0,1,0,0|2,0,0]=4 23814 B12R1.2197 CC(C)N(C)C1CCCCCC1 269982a_100000200198_200000210301 [0,1,0,1,0,0|2,0,0]=4 23815 B12R1.2197 CC(C)N(C)C1CCCCCC1 269982a_100015185097_100000210206 [0,1,0,1,0,0|2,0,0]=4 23816 B12R1.2197 CC(C)N(C)C1CCCCCC1 269982a_200000211004_100011217769 [0,1,0,1,0,0|2,0,0]=4 23817 B12R1.2197 CC(C)N(C)C1CCCCCC1 270004a_200000211004_100000210131 [0,1,0,1,0,0|2,0,0]=4 23818 B12R1.2197 CC(C)N(C)C1CCCCCC1 34a_100000200198_200000210301 [0,1,0,1,0,0|2,0,0]=4 23819 B12R1.2197 CC(C)N(C)C1CCCCCC1 34a_100015185097_100000210206 [0,1,0,1,0,0|2,0,0]=4 23820 B12R1.2197 CC(C)N([13CH3])C1CCCCCC1 269982a_100000200198_200025704644 [0,1,0,1,0,0|2,0,0]=4 23821 B12R1.2197 CC(C)N([13CH3])C1CCCCCC1 34a_100000200198_200025704644 [0,1,0,1,0,0|2,0,0]=4 23822 B12R1.2197 CC(F)C(=O)C1CCCCCC1 1458a_100000062450_100011217769 [0,1,0,1,0,0|0,0,0]=2 23823 B12R1.2197 CC(F)C(=O)N1CCCCCC1 11a_100000185865_100000062450 [0,1,0,1,0,0|1,0,0]=3 23824 B12R1.2197 CC(F)C(=O)N1CCCCCC1 1626a_100000185865_100000062450 [0,1,0,1,0,0|1,0,0]=3 23825 B12R1.2197 CC(F)C(=O)N1CCCCCC1 240690a_100000185865_100000062450 [0,1,0,1,0,0|1,0,0]=3 23826 B12R1.2197 CC(F)C(=O)N1CCCCCC1 527a_100000185865_100000062450 [0,1,0,1,0,0|1,0,0]=3 23827 B12R1.2197 CC(F)C(=O)N1CCCOCC1 11a_100000685342_100000062450 [0,1,0,1,0,0|2,0,0]=4 23828 B12R1.2197 CC(F)C(=O)N1CCCOCC1 1626a_100000685342_100000062450 [0,1,0,1,0,0|2,0,0]=4 23829 B12R1.2197 CC(F)C(=O)N1CCCOCC1 240690a_100000685342_100000062450 [0,1,0,1,0,0|2,0,0]=4 23830 B12R1.2197 CC(F)C(=O)N1CCCOCC1 527a_100000685342_100000062450 [0,1,0,1,0,0|2,0,0]=4 23831 B12R1.2197 CN(C)C(=O)C1CCCCCC1 11a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 23832 B12R1.2197 CN(C)C(=O)C1CCCCCC1 1626a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 23833 B12R1.2197 CN(C)C(=O)C1CCCCCC1 240690a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 23834 B12R1.2197 CN(C)C(=O)C1CCCCCC1 527a_100102631434_100000749507 [0,1,0,1,0,0|1,0,0]=3 23835 B12R1.2197 C[C@@H](O)C(=O)C1CCCCCC1 1458a_100000717761_100011217769 [0,1,0,1,0,0|0,0,0]=2 23836 B12R1.2197 C[C@@H](O)C(=O)N1CCCCCC1 240690a_100000185865_100000717761 [0,1,0,1,0,0|1,0,0]=3 23837 B12R1.2197 C[C@@H](O)C(=O)N1CCCOCC1 240690a_100000685342_100000717761 [0,1,0,1,0,0|2,0,0]=4 23838 B12R1.2197 C[C@H](O)C(=O)C1CCCCCC1 1458a_217856618621_100011217769 [0,1,0,1,0,0|0,0,0]=2 23839 B12R1.2197 C[C@H](O)C(=O)N1CCCCCC1 1626a_100000185865_217856618621 [0,1,0,1,0,0|1,0,0]=3 23840 B12R1.2197 C[C@H](O)C(=O)N1CCCCCC1 240690a_100000185865_217856618621 [0,1,0,1,0,0|1,0,0]=3 23841 B12R1.2197 C[C@H](O)C(=O)N1CCCOCC1 1626a_100000685342_217856618621 [0,1,0,1,0,0|2,0,0]=4 23842 B12R1.2197 C[C@H](O)C(=O)N1CCCOCC1 240690a_100000685342_217856618621 [0,1,0,1,0,0|2,0,0]=4 23843 B12R1.2197 O=C(C(F)F)N1CCCCCC1 11a_100000185865_100000210393 [0,1,0,1,0,0|2,0,0]=4 23844 B12R1.2197 O=C(C(F)F)N1CCCCCC1 1626a_100000185865_100000210393 [0,1,0,1,0,0|2,0,0]=4 23845 B12R1.2197 O=C(C(F)F)N1CCCCCC1 240690a_100000185865_100000210393 [0,1,0,1,0,0|2,0,0]=4 23846 B12R1.2197 O=C(C(F)F)N1CCCCCC1 527a_100000185865_100000210393 [0,1,0,1,0,0|2,0,0]=4 23847 B12R1.2197 O=C(C(O)O)C1CCCCCC1 1458a_100000233687_100011217769 [0,1,0,1,0,0|1,0,0]=3 23848 B12R1.2197 O=C(C(O)O)N1CCCCCC1 240690a_100000185865_100000233687 [0,1,0,1,0,0|2,0,0]=4 23849 B12R1.70 CCCCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210211 [0,1,0,1,0,0|2,0,0]=4 23850 B12R1.70 CCCCN1CCS(=O)(=O)CC1 269982a_100000750940_100000210211 [0,1,0,1,0,0|2,0,0]=4 23851 B12R1.70 CCCCN1CCS(=O)(=O)CC1 34a_100000750940_100000210210 [0,1,0,1,0,0|2,0,0]=4 23852 B12R1.70 CCCNC1CCS(=O)(=O)CC1 2230a_100000739226_100000210303 [0,1,0,1,0,0|2,0,0]=4 23853 B12R1.70 CCCNC1CCS(=O)(=O)CC1 270004a_100020643023_100000015219 [0,1,0,1,0,0|2,0,0]=4 23854 B12R1.70 CCCNC1CCS(=O)(=O)CC1 34a_100000739226_100000210303 [0,1,0,1,0,0|2,0,0]=4 23855 B12R1.70 CCCOC1CCS(=O)(=O)CC1 34a_100011349575_100000210303 [0,1,0,1,0,0|2,0,0]=4 23856 B12R1.70 CCCOC1CCS(=O)(=O)CC1 7a_100011349575_100000210303 [0,1,0,1,0,0|2,0,0]=4 23857 B12R1.70 CCNCC1CCS(=O)(=O)CC1 2230a_100000693208_100000210202 [0,1,0,1,0,0|2,0,0]=4 23858 B12R1.70 CCNCC1CCS(=O)(=O)CC1 270004a_100015525214_200011794348 [0,1,0,1,0,0|2,0,0]=4 23859 B12R1.70 CCNCC1CCS(=O)(=O)CC1 34a_100000693208_100000210202 [0,1,0,1,0,0|2,0,0]=4 23860 B12R1.194 CCS(=O)(=O)NC1CCCCC1 270084a_100000182618_100000211323 [0,1,0,1,0,0|2,0,0]=4 23861 B12R1.194 CCS(=O)(=O)NC1CCCCC1 274078a_100000182618_100000211323 [0,1,0,1,0,0|2,0,0]=4 23862 B12R1.194 CCS(=O)(=O)NC1CCCCC1 40a_100000182618_100000053943 [0,1,0,1,0,0|2,0,0]=4 23863 B12R1.195 CCS(=O)(=O)N1CCCCC1C 270084a_100000211376_100000211323 [0,1,0,1,0,0|2,0,0]=4 23864 B12R1.195 CCS(=O)(=O)N1CCCCC1C 274078a_100000211376_100000211323 [0,1,0,1,0,0|2,0,0]=4 23865 B12R1.195 CCS(=O)(=O)N1CCCCC1C 40a_100000211376_100000053943 [0,1,0,1,0,0|2,0,0]=4 23866 B12R1.196 CCS(=O)(=O)CCN1CCCC1 2230a_100000188435_100000756660 [0,1,0,1,0,0|2,0,0]=4 23867 B12R1.196 CCS(=O)(=O)CCN1CCCC1 269982a_100000188435_100000756660 [0,1,0,1,0,0|2,0,0]=4 23868 B12R1.196 CCS(=O)(=O)NCC1CCCC1 270084a_100000737975_100000211323 [0,1,0,1,0,0|2,0,0]=4 23869 B12R1.196 CCS(=O)(=O)NCC1CCCC1 274078a_100000737975_100000211323 [0,1,0,1,0,0|2,0,0]=4 23870 B12R1.196 CCS(=O)(=O)NCC1CCCC1 40a_100000737975_100000053943 [0,1,0,1,0,0|2,0,0]=4 23871 B12R1.197 CCS(=O)(=O)CCNCC1CC1 2230a_100000735609_100000756660 [0,1,0,1,0,0|2,0,0]=4 23872 B12R1.197 CCS(=O)(=O)CCNCC1CC1 2230a_100000751051_100000742324 [0,1,0,1,0,0|2,0,0]=4 23873 B12R1.197 CCS(=O)(=O)CCNCC1CC1 269862a_100000751051_100000741477 [0,1,0,1,0,0|2,0,0]=4 23874 B12R1.197 CCS(=O)(=O)CCNCC1CC1 34a_100000735609_100000756660 [0,1,0,1,0,0|2,0,0]=4 23875 B12R1.197 CCS(=O)(=O)CCNCC1CC1 34a_100000751051_100000742324 [0,1,0,1,0,0|2,0,0]=4 23876 B12R1.197 CCS(=O)(=O)CCOCC1CC1 34a_100000211283_100000756660 [0,1,0,1,0,0|2,0,0]=4 23877 B12R1.197 CCS(=O)(=O)CCOCC1CC1 34a_200011216379_100000742324 [0,1,0,1,0,0|2,0,0]=4 23878 B12R1.197 CCS(=O)(=O)CCOCC1CC1 7a_200011216379_100000742324 [0,1,0,1,0,0|2,0,0]=4 23879 B12R1.197 CCS(=O)(=O)CCSCC1CC1 62a_100000756562_100000756660 [0,1,0,1,0,0|2,0,0]=4 23880 B12R1.197 CCS(=O)(=O)CCSCC1CC1 62a_100000756660_100000742324 [0,1,0,1,0,0|2,0,0]=4 23881 B12R1.198 CCS(=O)(=O)CCN1CCC1C 269982a_100000755817_100000756660 [0,1,0,1,0,0|2,0,0]=4 23882 B12R1.198 CCS(=O)(=O)CCN1CCC1C 34a_100000755817_100000756660 [0,1,0,1,0,0|2,0,0]=4 23883 B12R1.203 CCS(=O)(=O)CCNC1CCC1 2230a_100000749019_100000756660 [0,1,0,1,0,0|2,0,0]=4 23884 B12R1.203 CCS(=O)(=O)CCNC1CCC1 270004a_100000751051_100000241760 [0,1,0,1,0,0|2,0,0]=4 23885 B12R1.203 CCS(=O)(=O)CCNC1CCC1 34a_100000749019_100000756660 [0,1,0,1,0,0|2,0,0]=4 23886 B12R1.203 CCS(=O)(=O)CCNC1CCC1 34a_100000751051_100000749161 [0,1,0,1,0,0|2,0,0]=4 23887 B12R1.203 CCS(=O)(=O)CCOC1CCC1 34a_100000748187_100000756660 [0,1,0,1,0,0|2,0,0]=4 23888 B12R1.203 CCS(=O)(=O)CCOC1CCC1 34a_200011216379_100000749161 [0,1,0,1,0,0|2,0,0]=4 23889 B12R1.203 CCS(=O)(=O)CCSC1CCC1 62a_100000756660_100000749161 [0,1,0,1,0,0|2,0,0]=4 23890 B12R1.528 CCCCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210211 [0,1,0,1,0,0|2,0,0]=4 23891 B12R1.528 CCCCNC1CCS(=O)(=O)C1 34a_100000683523_100000210210 [0,1,0,1,0,0|2,0,0]=4 23892 B12R1.528 CCCCOC1CCS(=O)(=O)C1 34a_100000186101_100000210210 [0,1,0,1,0,0|2,0,0]=4 23893 B12R1.528 CCCCOC1CCS(=O)(=O)C1 7a_100000186101_100000210211 [0,1,0,1,0,0|2,0,0]=4 23894 B12R1.528 CCCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210303 [0,1,0,1,0,0|2,0,0]=4 23895 B12R1.528 CCCNCC1CCS(=O)(=O)C1 34a_100000737051_100000210303 [0,1,0,1,0,0|2,0,0]=4 23896 B12R1.696 CCC1CCCN1S(=O)(=O)CC 270084a_100000754278_100000211323 [0,1,0,1,0,0|2,0,0]=4 23897 B12R1.696 CCC1CCCN1S(=O)(=O)CC 274078a_100000754278_100000211323 [0,1,0,1,0,0|2,0,0]=4 23898 B12R1.696 CCC1CCCN1S(=O)(=O)CC 40a_100000754278_100000053943 [0,1,0,1,0,0|2,0,0]=4 23899 B12R1.1161 CCS(=O)(=O)N1CCCCCC1 270084a_100000185865_100000211323 [0,1,0,1,0,0|2,0,0]=4 23900 B12R1.1161 CCS(=O)(=O)N1CCCCCC1 274078a_100000185865_100000211323 [0,1,0,1,0,0|2,0,0]=4 23901 B12R1.1161 CCS(=O)(=O)N1CCCCCC1 40a_100000185865_100000053943 [0,1,0,1,0,0|2,0,0]=4 23902 B12R1.26 CCC(=O)CSC1CCN(C1)C 62a_100000747405_200012183744 [0,1,0,1,0,0|2,0,0]=4 23903 B12R1.26 CCC(=O)NCC1CCN(C1)C 240690a_100000742581_100000210414 [0,1,0,1,0,0|2,0,0]=4 23904 B12R1.26 CCC(=O)NCC1CCN(C1)C 527a_100000742581_100000210414 [0,1,0,1,0,0|2,0,0]=4 23905 B12R1.26 CCC(C)CNC1CNC(=O)C1 2230a_100000697751_100000748023 [0,1,0,1,0,0|2,0,0]=4 23906 B12R1.26 CCC(C)COC1CCC(=O)C1 34a_100012614533_100000748023 [0,1,0,1,0,0|1,0,0]=3 23907 B12R1.26 CCC(C)COC1CNC(=O)C1 34a_100000690082_100000748023 [0,1,0,1,0,0|2,0,0]=4 23908 B12R1.26 CCC(C)NCC1CNC(=O)C1 2230a_100016993742_100000758301 [0,1,0,1,0,0|2,0,0]=4 23909 B12R1.26 CCC(C)NCC1CNC(=O)C1 34a_100016993742_100011215416 [0,1,0,1,0,0|2,0,0]=4 23910 B12R1.26 CCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000209981_100015189358 [0,1,0,1,0,0|2,0,0]=4 23911 B12R1.26 CCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000758301 [0,1,0,1,0,0|2,0,0]=4 23912 B12R1.26 CCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100011215416 [0,1,0,1,0,0|2,0,0]=4 23913 B12R1.26 CCC(C)OCC1CCC(=O)N1 34a_100000737831_100011215416 [0,1,0,1,0,0|2,0,0]=4 23914 B12R1.26 CCC(C)OCC1CNC(=O)C1 34a_100016041077_100011215416 [0,1,0,1,0,0|2,0,0]=4 23915 B12R1.26 CCC(C)OC[C@@H]1CCC(=O)N1 7a_100000210228_100015189358 [0,1,0,1,0,0|2,0,0]=4 23916 B12R1.26 CCC(C)SC[C@@H]1CCC(=O)N1 62a_100000758301_100015189358 [0,1,0,1,0,0|2,0,0]=4 23917 B12R1.26 CCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000758301 [0,1,0,1,0,0|2,0,0]=4 23918 B12R1.26 CCC(O)CNC1CNC(=O)C1 2230a_100000697751_100011218378 [0,1,0,1,0,0|2,0,0]=4 23919 B12R1.26 CCC(O)COC1CCC(=O)C1 34a_100012614533_100011218378 [0,1,0,1,0,0|1,0,0]=3 23920 B12R1.26 CCC(O)COC1CNC(=O)C1 34a_100000690082_100011218378 [0,1,0,1,0,0|2,0,0]=4 23921 B12R1.26 CC[C@H](C)CNC1CNC(=O)C1 2230a_100000697751_100009816398 [0,1,0,1,0,0|2,0,0]=4 23922 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 34a_100012614533_100009816398 [0,1,0,1,0,0|1,0,0]=3 23923 B12R1.26 CC[C@H](C)COC1CNC(=O)C1 34a_100000690082_100009816398 [0,1,0,1,0,0|2,0,0]=4 23924 B12R1.26 CNC(=O)CCN1CCC(C1)O 2230a_100011215560_100000737683 [0,1,0,1,0,0|2,0,0]=4 23925 B12R1.26 CNC(=O)CCN1CCC(C1)O 269982a_100011215560_100000737683 [0,1,0,1,0,0|2,0,0]=4 23926 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100000737683 [0,1,0,1,0,0|2,0,0]=4 23927 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000737683 [0,1,0,1,0,0|2,0,0]=4 23928 B12R1.26 CNC(=O)CCN1CC[C@@H](C1)F 34a_100015203821_100012179268 [0,1,0,1,0,0|2,0,0]=4 23929 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 2230a_100016987628_100000737683 [0,1,0,1,0,0|2,0,0]=4 23930 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000737683 [0,1,0,1,0,0|2,0,0]=4 23931 B12R1.26 CNC(=O)CCN1CC[C@H](C1)C 34a_100016987628_100012179268 [0,1,0,1,0,0|2,0,0]=4 23932 B12R1.26 CNC(=O)CNC1CCC(C1)C 270004a_100000693194_100011215218 [0,1,0,1,0,0|2,0,0]=4 23933 B12R1.26 CNC(=O)CNC1CCC(C1)O 270004a_100000693194_100012614533 [0,1,0,1,0,0|2,0,0]=4 23934 B12R1.26 CNC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000183359 [0,1,0,1,0,0|2,0,0]=4 23935 B12R1.26 CNC(=O)COC1CCC(C1)C 34a_100000698185_100000183359 [0,1,0,1,0,0|2,0,0]=4 23936 B12R1.26 COC(=O)CCN1CCC(C1)O 2230a_100011215560_100000204255 [0,1,0,1,0,0|2,0,0]=4 23937 B12R1.26 COC(=O)CCN1CCC(C1)O 269982a_100011215560_100000204255 [0,1,0,1,0,0|2,0,0]=4 23938 B12R1.26 COC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100000204255 [0,1,0,1,0,0|2,0,0]=4 23939 B12R1.26 COC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000204255 [0,1,0,1,0,0|2,0,0]=4 23940 B12R1.26 COC(=O)CCN1CC[C@@H](C1)F 34a_100015203821_100000742370 [0,1,0,1,0,0|2,0,0]=4 23941 B12R1.26 COC(=O)CCN1CC[C@H](C1)C 2230a_100016987628_100000204255 [0,1,0,1,0,0|2,0,0]=4 23942 B12R1.26 COC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000204255 [0,1,0,1,0,0|2,0,0]=4 23943 B12R1.26 COC(=O)CCN1CC[C@H](C1)C 34a_100016987628_100000742370 [0,1,0,1,0,0|2,0,0]=4 23944 B12R1.26 COC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000747449 [0,1,0,1,0,0|2,0,0]=4 23945 B12R1.26 COC(=O)COC1CCC(C1)C 34a_100000698185_100000747449 [0,1,0,1,0,0|2,0,0]=4 23946 B12R1.26 C[C@@H](CO)COC1CCC(=O)C1 34a_100012614533_100000059175 [0,1,0,1,0,0|2,0,0]=4 23947 B12R1.26 O=C1CCC(C1)OCC(O)CO 34a_100012614533_100011219619 [0,1,0,1,0,0|2,0,0]=4 23948 B12R1.26 O=C1CCC(C1)OC[C@@H](O)CF 34a_100012614533_100015614560 [0,1,0,1,0,0|2,0,0]=4 23949 B12R1.26 O=C1CCC(C1)OC[C@@H](O)CO 34a_100012614533_100009815848 [0,1,0,1,0,0|2,0,0]=4 23950 B12R1.29 CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210211 [0,1,0,1,0,0|1,0,1]=4 23951 B12R1.29 CCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210211 [0,1,0,1,0,0|1,0,1]=4 23952 B12R1.29 CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210211 [0,1,0,1,0,0|1,0,1]=4 23953 B12R1.29 CCCCC(C)N1CNC(=O)C1 2230a_200000708111_200011215066 [0,1,0,1,0,0|2,0,0]=4 23954 B12R1.71 CCCCC1CCC(CC1)NC 2230a_100000745173_200000210301 [0,1,0,1,0,0|1,0,1]=4 23955 B12R1.71 CCCCC1CCC(CC1)NC 34a_100000745173_200000210301 [0,1,0,1,0,0|1,0,1]=4 23956 B12R1.71 CCCCC1CCC(CC1)N[13CH3] 2230a_100000745173_200025704644 [0,1,0,1,0,0|1,0,1]=4 23957 B12R1.71 CCCCC1CCC(CC1)N[13CH3] 34a_100000745173_200025704644 [0,1,0,1,0,0|1,0,1]=4 23958 B12R1.71 CCCCC1CCC(CC1)OC 34a_200000035503_200000210301 [0,1,0,1,0,0|0,0,2]=4 23959 B12R1.71 CCCCC1CCC(CC1)OC 7a_200000035503_200000210301 [0,1,0,1,0,0|0,0,2]=4 23960 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 34a_200000035503_200025704644 [0,1,0,1,0,0|0,0,2]=4 23961 B12R1.71 CCCCC1CCC(CC1)O[13CH3] 7a_200000035503_200025704644 [0,1,0,1,0,0|0,0,2]=4 23962 B12R1.71 CCCCC1CCN(CC1)CC 2230a_200016987432_100000210202 [0,1,0,1,0,0|2,0,0]=4 23963 B12R1.71 CCCCC1CCN(CC1)CC 269982a_200016987432_100000204670 [0,1,0,1,0,0|2,0,0]=4 23964 B12R1.71 CCCCC1CCN(CC1)CC 34a_200016987432_100000210202 [0,1,0,1,0,0|2,0,0]=4 23965 B12R1.71 CCCCC1CCN(CC1)CF 269982a_200016987432_100015361967 [0,1,0,1,0,0|2,0,0]=4 23966 B12R1.71 CCCCC1CCN(CC1)CF 34a_200016987432_100015361967 [0,1,0,1,0,0|2,0,0]=4 23967 B12R1.334 CCCCN1CC(C1)C(=O)NC 34a_100000703363_100000210210 [0,1,0,1,0,0|2,0,0]=4 23968 B12R1.334 CCCCN1CC(C1)C(=O)OC 269982a_100015188540_100000210211 [0,1,0,1,0,0|2,0,0]=4 23969 B12R1.334 CCCOC1CC(C1)C(=O)OC 34a_100000210258_100009897219 [0,1,0,1,0,0|2,0,0]=4 23970 B12R1.334 CCCOC1CC(C1)C(=O)OC 7a_100000076263_100000210303 [0,1,0,1,0,0|2,0,0]=4 23971 B12R1.334 CCCOC1CN(C1)C(=O)CC 11a_200020626125_100000210414 [0,1,0,1,0,0|2,0,0]=4 23972 B12R1.334 CCCOC1CN(C1)C(=O)CC 1626a_200020626125_100000210414 [0,1,0,1,0,0|2,0,0]=4 23973 B12R1.334 CCCOC1CN(C1)C(=O)CC 240690a_200020626125_100000210414 [0,1,0,1,0,0|2,0,0]=4 23974 B12R1.334 CCCOC1CN(C1)C(=O)CC 527a_200020626125_100000210414 [0,1,0,1,0,0|2,0,0]=4 23975 B12R1.334 CCCSC1CC(C1)C(=O)OC 62a_100000210303_100009897219 [0,1,0,1,0,0|2,0,0]=4 23976 B12R1.334 CCCSC1CC(C1)C(=O)OC 62a_100009897219_100000210303 [0,1,0,1,0,0|2,0,0]=4 23977 B12R1.334 CCOCC1CC(C1)C(=O)OC 34a_100009884387_100000210202 [0,1,0,1,0,0|2,0,0]=4 23978 B12R1.334 CCOCC1CC(C1)C(=O)OC 7a_100009884387_100000210202 [0,1,0,1,0,0|2,0,0]=4 23979 B12R1.354 CCC(=O)C1CN(CCN1C)C 1458a_100012179483_100000210202 [0,1,0,1,0,0|2,0,0]=4 23980 B12R1.354 CCC(=O)N1C[C@H](OC[C@H]1C)C 11a_100016991869_100000210414 [0,1,0,1,0,0|2,0,0]=4 23981 B12R1.354 CCC(=O)N1C[C@H](OC[C@H]1C)C 1626a_100016991869_100000210414 [0,1,0,1,0,0|2,0,0]=4 23982 B12R1.354 CCC(=O)N1C[C@H](OC[C@H]1C)C 240690a_100016991869_100000210414 [0,1,0,1,0,0|2,0,0]=4 23983 B12R1.354 CCC(=O)N1C[C@H](OC[C@H]1C)C 527a_100016991869_100000210414 [0,1,0,1,0,0|2,0,0]=4 23984 B12R1.354 COC(=O)C1CC(CCN1C)O 2230a_100020629045_200000210301 [0,1,0,1,0,0|2,0,0]=4 23985 B12R1.354 COC(=O)C1CC(CCN1C)O 269982a_100020629045_200000210301 [0,1,0,1,0,0|2,0,0]=4 23986 B12R1.354 COC(=O)C1CC(CCN1[13CH3])O 2230a_100020629045_200025704644 [0,1,0,1,0,0|2,0,0]=4 23987 B12R1.354 COC(=O)C1CC(CCN1[13CH3])O 269982a_100020629045_200025704644 [0,1,0,1,0,0|2,0,0]=4 23988 B12R1.431 CCC(=O)CSC1CC(C1)CO 62a_100000747405_100009874164 [0,1,0,1,0,0|2,0,0]=4 23989 B12R1.431 CCC(=O)CSC1CC(C1)CO 62a_100009874164_100000747405 [0,1,0,1,0,0|2,0,0]=4 23990 B12R1.431 CCC1CN(C1)CCC(=O)NC 2230a_100015205115_100000737683 [0,1,0,1,0,0|2,0,0]=4 23991 B12R1.431 CCC1CN(C1)CCC(=O)NC 269982a_100015205115_100000737683 [0,1,0,1,0,0|2,0,0]=4 23992 B12R1.431 CCC1CN(C1)CCC(=O)OC 2230a_100015205115_100000204255 [0,1,0,1,0,0|2,0,0]=4 23993 B12R1.431 CCC1CN(C1)CCC(=O)OC 269982a_100015205115_100000204255 [0,1,0,1,0,0|2,0,0]=4 23994 B12R1.908 CCC(=O)COC(C)C1CCC1 7a_100000766398_100000747405 [0,1,0,1,0,0|1,0,0]=3 23995 B12R1.908 CCC(=O)NCC(=O)C1CCC1 1458a_100000194589_100000749161 [0,1,0,1,0,0|1,0,1]=4 23996 B12R1.908 CCS(=O)CCC(=O)C1CCC1 1458a_100011387550_100000749161 [0,1,0,1,0,0|1,0,1]=4 23997 B12R1.908 CNC(=O)CCC(=O)C1CCC1 1458a_100011309844_100000749161 [0,1,0,1,0,0|1,0,1]=4 23998 B12R1.908 CNC(=O)CCN(C)C1CCC1 2230a_100000758072_100000737683 [0,1,0,1,0,0|2,0,0]=4 23999 B12R1.908 CNC(=O)CCN(C)C1CCC1 269982a_100000750875_100000749161 [0,1,0,1,0,0|2,0,0]=4 24000 B12R1.908 CNC(=O)CCN(C)C1CCC1 269982a_100000758072_100000737683 [0,1,0,1,0,0|2,0,0]=4 24001 B12R1.908 CNC(=O)CCN(C)C1CCC1 270004a_100000750875_100000241760 [0,1,0,1,0,0|2,0,0]=4 24002 B12R1.908 CNC(=O)CCN(C)C1CCC1 34a_100000758072_100012179268 [0,1,0,1,0,0|2,0,0]=4 24003 B12R1.908 CNC(=O)CNC(C)C1CCC1 2230a_100016994624_100000183359 [0,1,0,1,0,0|2,0,0]=4 24004 B12R1.908 CNC(=O)CNC(C)C1CCC1 269862a_100000693194_100000760154 [0,1,0,1,0,0|2,0,0]=4 24005 B12R1.908 CNC(=O)CNC(C)C1CCC1 34a_100016994624_100000183359 [0,1,0,1,0,0|2,0,0]=4 24006 B12R1.908 CNC(=O)COC(C)C1CCC1 34a_100000766398_100000183359 [0,1,0,1,0,0|2,0,0]=4 24007 B12R1.908 CNC(=O)COC(C)C1CCC1 7a_100000766398_100000183359 [0,1,0,1,0,0|2,0,0]=4 24008 B12R1.908 COC(=O)CCC(=O)C1CCC1 1458a_100000187943_100000749161 [0,1,0,1,0,0|1,0,1]=4 24009 B12R1.908 COC(=O)CCN(C)C1CCC1 2230a_100000758072_100000204255 [0,1,0,1,0,0|2,0,0]=4 24010 B12R1.908 COC(=O)CCN(C)C1CCC1 269982a_100000758072_100000204255 [0,1,0,1,0,0|2,0,0]=4 24011 B12R1.908 COC(=O)CCN(C)C1CCC1 269982a_100025711912_100000749161 [0,1,0,1,0,0|2,0,0]=4 24012 B12R1.908 COC(=O)CCN(C)C1CCC1 34a_100000758072_100000742370 [0,1,0,1,0,0|2,0,0]=4 24013 B12R1.908 COC(=O)CNC(C)C1CCC1 2230a_100016994624_100000747449 [0,1,0,1,0,0|2,0,0]=4 24014 B12R1.908 COC(=O)CNC(C)C1CCC1 34a_100016994624_100000747449 [0,1,0,1,0,0|2,0,0]=4 24015 B12R1.908 COC(=O)COC(C)C1CCC1 34a_100000766398_100000747449 [0,1,0,1,0,0|2,0,0]=4 24016 B12R1.908 COC(=O)COC(C)C1CCC1 7a_100000766398_100000747449 [0,1,0,1,0,0|2,0,0]=4 24017 B12R1.910 CCC(=O)NCC(=O)CC1CC1 1458a_100000194589_100000742324 [0,1,0,1,0,0|1,0,1]=4 24018 B12R1.910 CCS(=O)CCC(=O)CC1CC1 1458a_100011387550_100000742324 [0,1,0,1,0,0|1,0,1]=4 24019 B12R1.910 CNC(=O)CCC(=O)CC1CC1 1458a_100011309844_100000742324 [0,1,0,1,0,0|1,0,1]=4 24020 B12R1.910 CNC(=O)CCN(C)CC1CC1 2230a_100000741881_100000737683 [0,1,0,1,0,0|2,0,0]=4 24021 B12R1.910 CNC(=O)CCN(C)CC1CC1 2230a_100000750875_100000742324 [0,1,0,1,0,0|2,0,0]=4 24022 B12R1.910 CNC(=O)CCN(C)CC1CC1 269982a_100000741881_100000737683 [0,1,0,1,0,0|2,0,0]=4 24023 B12R1.910 CNC(=O)CCN(C)CC1CC1 269982a_100000750875_100000756562 [0,1,0,1,0,0|2,0,0]=4 24024 B12R1.910 CNC(=O)CNC(C)CC1CC1 270004a_100000693194_200000686933 [0,1,0,1,0,0|2,0,0]=4 24025 B12R1.910 COC(=O)CCC(=O)CC1CC1 1458a_100000187943_100000742324 [0,1,0,1,0,0|1,0,1]=4 24026 B12R1.910 COC(=O)CCN(C)CC1CC1 2230a_100000741881_100000204255 [0,1,0,1,0,0|2,0,0]=4 24027 B12R1.910 COC(=O)CCN(C)CC1CC1 269982a_100000741881_100000204255 [0,1,0,1,0,0|2,0,0]=4 24028 B12R1.910 COC(=O)CCN(C)CC1CC1 269982a_100025711912_100000756562 [0,1,0,1,0,0|2,0,0]=4 24029 B12R1.925 CC(CCCCl)OC1CCC1=O 34a_200000718107_100009892977 [0,1,0,1,0,0|2,0,0]=4 24030 B12R1.925 CC(CCCCl)OC1CCC1=O 7a_200000718107_100009892977 [0,1,0,1,0,0|2,0,0]=4 24031 B12R1.925 CCCCC(C)OC1CCC1=O 34a_100000687866_100009892977 [0,1,0,1,0,0|1,0,0]=3 24032 B12R1.925 CCCCC(C)OC1CCC1=O 7a_100000687866_100009892977 [0,1,0,1,0,0|1,0,0]=3 24033 B12R1.925 CCCCC(C)SC1CCC1=O 62a_100009892977_200011215066 [0,1,0,1,0,0|1,0,0]=3 24034 B12R1.925 CCCCC(C)SC1CCC1=O 62a_200011215066_100009892977 [0,1,0,1,0,0|1,0,0]=3 24035 B12R1.925 CCOCC(C)OC1CCC1=O 34a_100000718985_100009892977 [0,1,0,1,0,0|2,0,0]=4 24036 B12R1.925 CCOCC(C)OC1CCC1=O 7a_100000718985_100009892977 [0,1,0,1,0,0|2,0,0]=4 24037 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 24038 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 24039 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 24040 B12R1.1657 CCC(=O)N1CCCCC(C1)O 240690a_100025706797_100000210414 [0,1,0,1,0,0|1,0,0]=3 24041 B12R1.1657 CCC(=O)N1CCOC[C@@H](C1)O 11a_100016073750_100000210414 [0,1,0,1,0,0|2,0,0]=4 24042 B12R1.1657 CCC(=O)N1CCOC[C@@H](C1)O 240690a_100016073750_100000210414 [0,1,0,1,0,0|2,0,0]=4 24043 B12R1.1657 CNC(=O)N1CCCCC(C1)O 2708a_100102657272_100025706797 [0,1,0,1,0,0|2,0,0]=4 24044 B12R1.1657 CNC(=O)N1CCCCC(C1)O 273464a_100102657272_100025706797 [0,1,0,1,0,0|2,0,0]=4 24045 B12R1.1657 O=C(CO)N1CCCCC(C1)O 240690a_100025706797_100000210174 [0,1,0,1,0,0|2,0,0]=4 24046 B12R1.1677 CCC(=O)CCC1(OCCO1)C 1458a_100000210414_100000758764 [0,1,0,1,0,0|2,0,0]=4 24047 B12R1.1677 CCC(=O)COC1(CCCC1)C 7a_100000751722_100000747405 [0,1,0,1,0,0|1,0,0]=3 24048 B12R1.1677 CCC(=O)NCC1(CCCC1)O 11a_100000737848_100000210414 [0,1,0,1,0,0|1,0,0]=3 24049 B12R1.1677 CCC(=O)NCC1(CCCC1)O 1626a_100000737848_100000210414 [0,1,0,1,0,0|1,0,0]=3 24050 B12R1.1677 CCC(=O)NCC1(CCCC1)O 240690a_100000737848_100000210414 [0,1,0,1,0,0|1,0,0]=3 24051 B12R1.1677 CCC(=O)NCC1(CCCC1)O 527a_100000737848_100000210414 [0,1,0,1,0,0|1,0,0]=3 24052 B12R1.1677 CNC(=O)COC1(CCCC1)C 34a_100000751722_100000183359 [0,1,0,1,0,0|2,0,0]=4 24053 B12R1.1677 CNC(=O)COC1(CCCC1)C 7a_100000751722_100000183359 [0,1,0,1,0,0|2,0,0]=4 24054 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100000737848_106832991635 [0,1,0,1,0,0|2,0,0]=4 24055 B12R1.1677 CNC(=O)NCC1(CCCC1)O 2708a_100102657272_100000737848 [0,1,0,1,0,0|2,0,0]=4 24056 B12R1.1677 CNC(=O)NCC1(CCCC1)O 273464a_100102657272_100000737848 [0,1,0,1,0,0|2,0,0]=4 24057 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_100000737848_100102657272 [0,1,0,1,0,0|2,0,0]=4 24058 B12R1.1677 CNC(=O)NCC1(CCCC1)O 512a_106832991638_100000737848 [0,1,0,1,0,0|2,0,0]=4 24059 B12R1.1677 COC(=O)COC1(CCCC1)C 34a_100000751722_100000747449 [0,1,0,1,0,0|2,0,0]=4 24060 B12R1.1677 COC(=O)COC1(CCCC1)C 7a_100000751722_100000747449 [0,1,0,1,0,0|2,0,0]=4 24061 B12R1.1677 O=C(CO)NCC1(CCCC1)O 240690a_100000737848_100000210174 [0,1,0,1,0,0|2,0,0]=4 24062 B12R1.1677 O=C(CO)NCC1(CCCC1)O 527a_100000737848_100000210174 [0,1,0,1,0,0|2,0,0]=4 24063 B12R1.1926 CCC(=O)N1C[C@@H](C[C@H]1CO)O 240690a_100000707816_100000210414 [0,1,0,1,0,0|2,0,0]=4 24064 B12R1.1926 CCC(=O)N1C[C@@H](C[C@H]1CO)O 527a_100000707816_100000210414 [0,1,0,1,0,0|2,0,0]=4 24065 B12R1.1926 CCC(=O)N1C[C@H](C[C@H]1CO)F 240690a_100015204000_100000210414 [0,1,0,1,0,0|2,0,0]=4 24066 B12R1.1926 CCC(=O)N1C[C@H](C[C@H]1CO)F 527a_100015204000_100000210414 [0,1,0,1,0,0|2,0,0]=4 24067 B12R1.1926 CCN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000210202 [0,1,0,1,0,0|2,0,0]=4 24068 B12R1.1926 CCN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000204670 [0,1,0,1,0,0|2,0,0]=4 24069 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100000210202 [0,1,0,1,0,0|2,0,0]=4 24070 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000204670 [0,1,0,1,0,0|2,0,0]=4 24071 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 34a_100000724535_100000210202 [0,1,0,1,0,0|2,0,0]=4 24072 B12R1.2217 CCC(=O)CN1C(CCC1C)C 269982a_100000687148_100000747405 [0,1,0,1,0,0|1,0,0]=3 24073 B12R1.2217 CNC(=O)CN1C(CCC1C)C 2230a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 24074 B12R1.2217 CNC(=O)CN1C(CCC1C)C 269982a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 24075 B12R1.2217 CNC(=O)CN1C(CCC1C)C 34a_100000687148_100000183359 [0,1,0,1,0,0|2,0,0]=4 24076 B12R1.2217 COC(=O)CN1C(CCC1C)C 2230a_100000687148_100000747449 [0,1,0,1,0,0|2,0,0]=4 24077 B12R1.2217 COC(=O)CN1C(CCC1C)C 269982a_100000687148_100000747449 [0,1,0,1,0,0|2,0,0]=4 24078 B12R1.2217 COC(=O)CN1C(CCC1C)C 34a_100000687148_100000747449 [0,1,0,1,0,0|2,0,0]=4 24079 B12R1.2259 CC1(CCC(=O)CC1)OCCF 34a_100012184276_100011217306 [0,1,0,1,0,0|2,0,0]=4 24080 B12R1.2259 CC1(CCC(=O)CC1)OCCF 7a_100012184276_100011217306 [0,1,0,1,0,0|2,0,0]=4 24081 B12R1.2259 CC1(CCC(=O)CC1)OCCO 34a_100012184276_100000211926 [0,1,0,1,0,0|2,0,0]=4 24082 B12R1.2259 CC1(CCC(=O)CC1)OCCO 7a_100012184276_100000211926 [0,1,0,1,0,0|2,0,0]=4 24083 B12R1.2259 CCCOC1(CCC(=O)CC1)C 34a_100012184276_100000210303 [0,1,0,1,0,0|1,0,0]=3 24084 B12R1.2259 CCCOC1(CCC(=O)CC1)C 7a_100012184276_100000210303 [0,1,0,1,0,0|1,0,0]=3 24085 B12R1.2259 CSCOC1(CCC(=O)CC1)C 34a_100012184276_100011218213 [0,1,0,1,0,0|2,0,0]=4 24086 B12R1.24 CCC(C)N1CCNC(=O)C1C 2230a_100000750721_100000758301 [0,1,0,1,0,0|2,0,0]=4 24087 B12R1.24 CCC(C)N1CCNC(=O)C1C 269982a_100000750721_100000758301 [0,1,0,1,0,0|2,0,0]=4 24088 B12R1.24 CCC(C)N1CCNC(=O)C1C 34a_100000750721_100011215416 [0,1,0,1,0,0|2,0,0]=4 24089 B12R1.24 CCN(C)C1CCCC(C1C)C 2230a_200000227778_200000210301 [0,1,0,1,0,0|2,0,0]=4 24090 B12R1.24 CCN(C)C1CCCC(C1C)C 269982a_200000227778_200000210301 [0,1,0,1,0,0|2,0,0]=4 24091 B12R1.24 CCN(C)C1CCCC(C1C)C 34a_200000227778_200000210301 [0,1,0,1,0,0|2,0,0]=4 24092 B12R1.24 CCN([13CH3])C1CCCC(C1C)C 2230a_200000227778_200025704644 [0,1,0,1,0,0|2,0,0]=4 24093 B12R1.24 CCN([13CH3])C1CCCC(C1C)C 269982a_200000227778_200025704644 [0,1,0,1,0,0|2,0,0]=4 24094 B12R1.24 CCN([13CH3])C1CCCC(C1C)C 34a_200000227778_200025704644 [0,1,0,1,0,0|2,0,0]=4 24095 B12R1.49 C=C1CCC(CC1)NC(C)CC 270004a_100000209981_100010272673 [0,1,0,1,0,0|2,0,0]=4 24096 B12R1.49 C=C1CCN(CC1)CC(=O)CC 269982a_100000752442_100000747405 [0,1,0,1,0,0|1,0,1]=4 24097 B12R1.49 C=C1CCN(CC1)CC(C)CC 2230a_100000752442_100000748023 [0,1,0,1,0,0|2,0,0]=4 24098 B12R1.49 C=C1CCN(CC1)CC(C)CC 269982a_100000752442_100000748023 [0,1,0,1,0,0|2,0,0]=4 24099 B12R1.49 C=C1CCN(CC1)CC(C)CC 270004a_100000752442_100000243153 [0,1,0,1,0,0|2,0,0]=4 24100 B12R1.49 C=C1CCN(CC1)CC(C)CC 34a_100000752442_100000748023 [0,1,0,1,0,0|2,0,0]=4 24101 B12R1.49 C=C1CCN(CC1)CC(O)CC 2230a_100000752442_100011218378 [0,1,0,1,0,0|2,0,0]=4 24102 B12R1.49 C=C1CCN(CC1)CC(O)CC 269982a_100000752442_100011218378 [0,1,0,1,0,0|2,0,0]=4 24103 B12R1.49 C=C1CCN(CC1)CC(O)CC 34a_100000752442_100011218378 [0,1,0,1,0,0|2,0,0]=4 24104 B12R1.49 C=C1CCN(CC1)C[C@@H](C)CC 2230a_100000752442_100009816398 [0,1,0,1,0,0|2,0,0]=4 24105 B12R1.49 C=C1CCN(CC1)C[C@@H](C)CC 269982a_100000752442_100009816398 [0,1,0,1,0,0|2,0,0]=4 24106 B12R1.49 C=C1CCN(CC1)C[C@@H](C)CC 34a_100000752442_100009816398 [0,1,0,1,0,0|2,0,0]=4 24107 B12R1.49 CC(CO)OC1CCC(=O)CC1 34a_100000764474_100012180447 [0,1,0,1,0,0|2,0,0]=4 24108 B12R1.49 CC(CO)OC1CCC(=O)CC1 7a_100000764474_100012180447 [0,1,0,1,0,0|2,0,0]=4 24109 B12R1.49 CC1CCC(CC1)CC(=O)CF 1458a_100011215564_100015361967 [0,1,0,1,0,0|1,0,0]=3 24110 B12R1.49 CC1CCN(CC1)CC(=O)CF 1458a_100000238061_100015361967 [0,1,0,1,0,0|2,0,0]=4 24111 B12R1.49 CCC(=O)C=C1CCC(CC1)C 1458a_100000756110_100000210202 [0,1,0,1,0,0|0,0,2]=4 24112 B12R1.49 CCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210202 [0,1,0,1,0,0|0,0,0]=2 24113 B12R1.49 CCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210202 [0,1,0,1,0,0|0,0,0]=2 24114 B12R1.49 CCC(=O)CC1CCN(CC1)C 1458a_100000700355_100000210202 [0,1,0,1,0,0|1,0,0]=3 24115 B12R1.49 CCC(=O)CN1CCC(CC1)C 1458a_100000238061_100000210202 [0,1,0,1,0,0|1,0,0]=3 24116 B12R1.49 CCC(=O)CN1CCC(CC1)C 269982a_100000188429_100000747405 [0,1,0,1,0,0|1,0,0]=3 24117 B12R1.49 CCC(=O)CN1CCC(CC1)F 269982a_100015193889_100000747405 [0,1,0,1,0,0|1,0,0]=3 24118 B12R1.49 CCC(=O)CN1CCC(CC1)O 269982a_100025773856_100000747405 [0,1,0,1,0,0|1,0,0]=3 24119 B12R1.49 CCC(=O)CN1CCN(CC1)C 1458a_100000753313_100000210202 [0,1,0,1,0,0|2,0,0]=4 24120 B12R1.49 CCC(=O)CN1CCN(CC1)C 269982a_100000188432_100000747405 [0,1,0,1,0,0|2,0,0]=4 24121 B12R1.49 CCC(=O)CN1CCS(=O)CC1 269982a_100000752083_100000747405 [0,1,0,1,0,0|2,0,0]=4 24122 B12R1.49 CCC(=O)NC1CCN(CC1)C 11a_100000198570_100000210414 [0,1,0,1,0,0|2,0,0]=4 24123 B12R1.49 CCC(=O)NC1CCN(CC1)C 240690a_100000198570_100000210414 [0,1,0,1,0,0|2,0,0]=4 24124 B12R1.49 CCC(=O)NC1CCN(CC1)C 527a_100000198570_100000210414 [0,1,0,1,0,0|2,0,0]=4 24125 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000210414 [0,1,0,1,0,0|1,0,0]=3 24126 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000210414 [0,1,0,1,0,0|1,0,0]=3 24127 B12R1.49 CCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000210414 [0,1,0,1,0,0|1,0,0]=3 24128 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000210414 [0,1,0,1,0,0|1,0,0]=3 24129 B12R1.49 CCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210414 [0,1,0,1,0,0|1,0,0]=3 24130 B12R1.49 CCC(C)CN1CCS(=O)CC1 2230a_100000752083_100000748023 [0,1,0,1,0,0|2,0,0]=4 24131 B12R1.49 CCC(C)CN1CCS(=O)CC1 269982a_100000752083_100000748023 [0,1,0,1,0,0|2,0,0]=4 24132 B12R1.49 CCC(C)CN1CCS(=O)CC1 270004a_100000752083_100000243153 [0,1,0,1,0,0|2,0,0]=4 24133 B12R1.49 CCC(C)NC1CCC(=O)NC1 2230a_100000748762_100000758301 [0,1,0,1,0,0|2,0,0]=4 24134 B12R1.49 CCC(C)NC1CCC(=O)NC1 34a_100000748762_100011215416 [0,1,0,1,0,0|2,0,0]=4 24135 B12R1.49 CCC(C)OC1CCC(=O)CC1 34a_100000764474_100011215416 [0,1,0,1,0,0|1,0,0]=3 24136 B12R1.49 CCC(C)OC1CCC(=O)CC1 7a_100000764474_100000758301 [0,1,0,1,0,0|1,0,0]=3 24137 B12R1.49 CCC(C)OC1CCC(=O)NC1 34a_100000079199_100011215416 [0,1,0,1,0,0|2,0,0]=4 24138 B12R1.49 CCC(O)CN1CCS(=O)CC1 2230a_100000752083_100011218378 [0,1,0,1,0,0|2,0,0]=4 24139 B12R1.49 CCC(O)CN1CCS(=O)CC1 269982a_100000752083_100011218378 [0,1,0,1,0,0|2,0,0]=4 24140 B12R1.49 CC[C@H](C)CN1CCS(=O)CC1 2230a_100000752083_100009816398 [0,1,0,1,0,0|2,0,0]=4 24141 B12R1.49 CC[C@H](C)CN1CCS(=O)CC1 269982a_100000752083_100009816398 [0,1,0,1,0,0|2,0,0]=4 24142 B12R1.49 CN1CCC(CC1)CC(=O)CF 1458a_100000700355_100015361967 [0,1,0,1,0,0|2,0,0]=4 24143 B12R1.49 CNC(=O)CC1CCC(CC1)C 11a_106832991635_100011215564 [0,1,0,1,0,0|1,0,0]=3 24144 B12R1.49 CNC(=O)CC1CCC(CC1)C 1626a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 24145 B12R1.49 CNC(=O)CC1CCC(CC1)C 240690a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 24146 B12R1.49 CNC(=O)CC1CCC(CC1)C 527a_100102657272_100011215564 [0,1,0,1,0,0|1,0,0]=3 24147 B12R1.49 CNC(=O)CC1CCC(CC1)O 1626a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 24148 B12R1.49 CNC(=O)CC1CCC(CC1)O 240690a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 24149 B12R1.49 CNC(=O)CC1CCC(CC1)O 527a_100102657272_100012184027 [0,1,0,1,0,0|1,0,0]=3 24150 B12R1.49 CNC(=O)CC1CCN(CC1)C 11a_106832991635_100000700355 [0,1,0,1,0,0|2,0,0]=4 24151 B12R1.49 CNC(=O)CC1CCN(CC1)C 1626a_100102657272_100000700355 [0,1,0,1,0,0|2,0,0]=4 24152 B12R1.49 CNC(=O)CC1CCN(CC1)C 2230a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 24153 B12R1.49 CNC(=O)CC1CCN(CC1)C 240690a_100102657272_100000700355 [0,1,0,1,0,0|2,0,0]=4 24154 B12R1.49 CNC(=O)CC1CCN(CC1)C 269982a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 24155 B12R1.49 CNC(=O)CC1CCN(CC1)C 34a_100000765844_200000210301 [0,1,0,1,0,0|2,0,0]=4 24156 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 2230a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 24157 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 269982a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 24158 B12R1.49 CNC(=O)CC1CCN(CC1)[13CH3] 34a_100000765844_200025704644 [0,1,0,1,0,0|2,0,0]=4 24159 B12R1.49 CNC(=O)CN1CCC(CC1)C 11a_106832991635_100000238061 [0,1,0,1,0,0|2,0,0]=4 24160 B12R1.49 CNC(=O)CN1CCC(CC1)C 1626a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 24161 B12R1.49 CNC(=O)CN1CCC(CC1)C 2230a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 24162 B12R1.49 CNC(=O)CN1CCC(CC1)C 240690a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 24163 B12R1.49 CNC(=O)CN1CCC(CC1)C 269982a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 24164 B12R1.49 CNC(=O)CN1CCC(CC1)C 34a_100000188429_100000183359 [0,1,0,1,0,0|2,0,0]=4 24165 B12R1.49 CNC(=O)CN1CCC(CC1)C 527a_100102657272_100000238061 [0,1,0,1,0,0|2,0,0]=4 24166 B12R1.49 CNC(=O)CN1CCC(CC1)F 2230a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 24167 B12R1.49 CNC(=O)CN1CCC(CC1)F 269982a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 24168 B12R1.49 CNC(=O)CN1CCC(CC1)F 34a_100015193889_100000183359 [0,1,0,1,0,0|2,0,0]=4 24169 B12R1.49 CNC(=O)CN1CCC(CC1)O 2230a_100025773856_100000183359 [0,1,0,1,0,0|2,0,0]=4 24170 B12R1.49 CNC(=O)CN1CCC(CC1)O 269982a_100025773856_100000183359 [0,1,0,1,0,0|2,0,0]=4 24171 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100020625639_106832991635 [0,1,0,1,0,0|2,0,0]=4 24172 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100102657272_100020625639 [0,1,0,1,0,0|2,0,0]=4 24173 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100102657272 [0,1,0,1,0,0|2,0,0]=4 24174 B12R1.49 CNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100102657272_100020625639 [0,1,0,1,0,0|2,0,0]=4 24175 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100020628982_106832991635 [0,1,0,1,0,0|2,0,0]=4 24176 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100102657272_100020628982 [0,1,0,1,0,0|2,0,0]=4 24177 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100020628982_100102657272 [0,1,0,1,0,0|2,0,0]=4 24178 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100102657272_100020628982 [0,1,0,1,0,0|2,0,0]=4 24179 B12R1.49 CNC(=O)N[C@H]1CC[C@H](CC1)O 512a_106832991638_100020628982 [0,1,0,1,0,0|2,0,0]=4 24180 B12R1.49 COC(=O)CC1CCN(CC1)C 2230a_100015189564_200000210301 [0,1,0,1,0,0|2,0,0]=4 24181 B12R1.49 COC(=O)CC1CCN(CC1)C 269982a_100015189564_200000210301 [0,1,0,1,0,0|2,0,0]=4 24182 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 2230a_100015189564_200025704644 [0,1,0,1,0,0|2,0,0]=4 24183 B12R1.49 COC(=O)CC1CCN(CC1)[13CH3] 269982a_100015189564_200025704644 [0,1,0,1,0,0|2,0,0]=4 24184 B12R1.49 COC(=O)CN1CCC(CC1)C 2230a_100000188429_100000747449 [0,1,0,1,0,0|2,0,0]=4 24185 B12R1.49 COC(=O)CN1CCC(CC1)C 269982a_100000188429_100000747449 [0,1,0,1,0,0|2,0,0]=4 24186 B12R1.49 COC(=O)CN1CCC(CC1)C 34a_100000188429_100000747449 [0,1,0,1,0,0|2,0,0]=4 24187 B12R1.49 COC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747449 [0,1,0,1,0,0|2,0,0]=4 24188 B12R1.49 COC(=O)CN1CCC(CC1)F 269982a_100015193889_100000747449 [0,1,0,1,0,0|2,0,0]=4 24189 B12R1.49 COC(=O)CN1CCC(CC1)F 34a_100015193889_100000747449 [0,1,0,1,0,0|2,0,0]=4 24190 B12R1.49 COC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747449 [0,1,0,1,0,0|2,0,0]=4 24191 B12R1.49 COC(=O)CN1CCC(CC1)O 269982a_100025773856_100000747449 [0,1,0,1,0,0|2,0,0]=4 24192 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 240690a_100020625639_100000210174 [0,1,0,1,0,0|2,0,0]=4 24193 B12R1.49 C[C@H]1CC[C@@H](CC1)NC(=O)CO 527a_100020625639_100000210174 [0,1,0,1,0,0|2,0,0]=4 24194 B12R1.49 O=C(CF)CC1CCC(CC1)O 1458a_100012184027_100015361967 [0,1,0,1,0,0|1,0,0]=3 24195 B12R1.49 O=C(CO)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000210174 [0,1,0,1,0,0|2,0,0]=4 24196 B12R1.61 CCC(=O)CC1CCN(C1)CC 1458a_100000210414_100015184589 [0,1,0,1,0,0|1,0,0]=3 24197 B12R1.61 CCC(=O)CN1CCC(C1)CO 269982a_100000748654_100000747405 [0,1,0,1,0,0|2,0,0]=4 24198 B12R1.61 CCC(=O)CN1CC[C@H](C1)OC 269982a_100000766984_100000747405 [0,1,0,1,0,0|2,0,0]=4 24199 B12R1.61 CCC(=O)NC1CCN(C1)CC 11a_100015188829_100000210414 [0,1,0,1,0,0|2,0,0]=4 24200 B12R1.61 CCC(=O)NC1CCN(C1)CC 1626a_100015188829_100000210414 [0,1,0,1,0,0|2,0,0]=4 24201 B12R1.61 CCC(=O)NC1CCN(C1)CC 240690a_100015188829_100000210414 [0,1,0,1,0,0|2,0,0]=4 24202 B12R1.61 CCC(=O)NC1CCN(C1)CC 527a_100015188829_100000210414 [0,1,0,1,0,0|2,0,0]=4 24203 B12R1.61 CCN1CCC(C1)CC(=O)CO 1458a_100000210174_100015184589 [0,1,0,1,0,0|2,0,0]=4 24204 B12R1.61 CCN1CC[C@@H](C1)CC(=O)OC 2230a_100020634416_100000210202 [0,1,0,1,0,0|2,0,0]=4 24205 B12R1.61 CCN1CC[C@@H](C1)CC(=O)OC 269982a_100020634416_100000204670 [0,1,0,1,0,0|2,0,0]=4 24206 B12R1.369 CCC(=O)N1CCC[C@@]1(C)CO 240690a_100016195882_100000210414 [0,1,0,1,0,0|2,0,0]=4 24207 B12R1.435 CCC(=O)C1CCCC(C1)OC 1458a_100011215561_100000210202 [0,1,0,1,0,0|1,0,0]=3 24208 B12R1.435 CCC(=O)C1CCCN(C1)CC 1458a_100000743261_100000210202 [0,1,0,1,0,0|1,0,0]=3 24209 B12R1.435 CCC(=O)N1CCCC(C1)CF 11a_100016992999_100000210414 [0,1,0,1,0,0|2,0,0]=4 24210 B12R1.435 CCC(=O)N1CCCC(C1)CF 1626a_100016992999_100000210414 [0,1,0,1,0,0|2,0,0]=4 24211 B12R1.435 CCC(=O)N1CCCC(C1)CF 240690a_100016992999_100000210414 [0,1,0,1,0,0|2,0,0]=4 24212 B12R1.435 CCC(=O)N1CCCC(C1)CF 527a_100016992999_100000210414 [0,1,0,1,0,0|2,0,0]=4 24213 B12R1.435 CCC(=O)N1CCCC(C1)CO 240690a_100000211344_100000210414 [0,1,0,1,0,0|2,0,0]=4 24214 B12R1.435 CCC(=O)N1CCCC(C1)CO 527a_100000211344_100000210414 [0,1,0,1,0,0|2,0,0]=4 24215 B12R1.435 CCC(=O)N1CCCC(C1)OC 11a_100000695604_100000210414 [0,1,0,1,0,0|2,0,0]=4 24216 B12R1.435 CCC(=O)N1CCCC(C1)OC 1626a_100000695604_100000210414 [0,1,0,1,0,0|2,0,0]=4 24217 B12R1.435 CCC(=O)N1CCCC(C1)OC 240690a_100000695604_100000210414 [0,1,0,1,0,0|2,0,0]=4 24218 B12R1.435 CCC(=O)N1CCCC(C1)OC 527a_100000695604_100000210414 [0,1,0,1,0,0|2,0,0]=4 24219 B12R1.435 CCC(=O)N1CCOC(C1)CC 11a_100000736320_100000210414 [0,1,0,1,0,0|2,0,0]=4 24220 B12R1.435 CCC(=O)N1CCOC(C1)CC 1626a_100000736320_100000210414 [0,1,0,1,0,0|2,0,0]=4 24221 B12R1.435 CCC(=O)N1CCOC(C1)CC 240690a_100000736320_100000210414 [0,1,0,1,0,0|2,0,0]=4 24222 B12R1.435 CCC(=O)N1CCOC(C1)CC 527a_100000736320_100000210414 [0,1,0,1,0,0|2,0,0]=4 24223 B12R1.435 CCN1CCCC(C1)C(=O)CF 1458a_100000743261_100015361967 [0,1,0,1,0,0|2,0,0]=4 24224 B12R1.435 CCN1CCCC(C1)C(=O)NC 11a_106832991635_100000743261 [0,1,0,1,0,0|2,0,0]=4 24225 B12R1.435 CCN1CCCC(C1)C(=O)NC 2230a_100000754358_100000210202 [0,1,0,1,0,0|2,0,0]=4 24226 B12R1.435 CCN1CCCC(C1)C(=O)NC 240690a_100102657272_100000743261 [0,1,0,1,0,0|2,0,0]=4 24227 B12R1.435 CCN1CCCC(C1)C(=O)NC 269982a_100000754358_100000204670 [0,1,0,1,0,0|2,0,0]=4 24228 B12R1.435 CCN1CCCC(C1)C(=O)NC 34a_100000754358_100000210202 [0,1,0,1,0,0|2,0,0]=4 24229 B12R1.435 CCN1CCCC(C1)C(=O)NC 527a_100102657272_100000743261 [0,1,0,1,0,0|2,0,0]=4 24230 B12R1.435 CCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000210202 [0,1,0,1,0,0|2,0,0]=4 24231 B12R1.435 CCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000204670 [0,1,0,1,0,0|2,0,0]=4 24232 B12R1.435 CNC(=O)C1CCCC(C1)OC 11a_106832991635_100011215561 [0,1,0,1,0,0|2,0,0]=4 24233 B12R1.435 CNC(=O)C1CCCC(C1)OC 1626a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 24234 B12R1.435 CNC(=O)C1CCCC(C1)OC 240690a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 24235 B12R1.435 CNC(=O)C1CCCC(C1)OC 527a_100102657272_100011215561 [0,1,0,1,0,0|2,0,0]=4 24236 B12R1.435 COC(=O)C1CCCC(C1)OC 34a_100012184231_200000210301 [0,1,0,1,0,0|2,0,0]=4 24237 B12R1.435 COC(=O)C1CCCC(C1)OC 7a_100012184231_200000210301 [0,1,0,1,0,0|2,0,0]=4 24238 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 34a_100012184231_200025704644 [0,1,0,1,0,0|2,0,0]=4 24239 B12R1.435 COC(=O)C1CCCC(C1)O[13CH3] 7a_100012184231_200025704644 [0,1,0,1,0,0|2,0,0]=4 24240 B12R1.435 COC1CCCC(C1)C(=O)CF 1458a_100011215561_100015361967 [0,1,0,1,0,0|2,0,0]=4 24241 B12R1.1658 CC1CCCN(CC1)C(=O)CO 240690a_100025706717_100000210174 [0,1,0,1,0,0|2,0,0]=4 24242 B12R1.1658 CC1CCCN(CC1)C(=O)CO 527a_100025706717_100000210174 [0,1,0,1,0,0|2,0,0]=4 24243 B12R1.1658 CCC(=O)N1CCCC(CC1)C 11a_100025706717_100000210414 [0,1,0,1,0,0|1,0,0]=3 24244 B12R1.1658 CCC(=O)N1CCCC(CC1)C 1626a_100025706717_100000210414 [0,1,0,1,0,0|1,0,0]=3 24245 B12R1.1658 CCC(=O)N1CCCC(CC1)C 240690a_100025706717_100000210414 [0,1,0,1,0,0|1,0,0]=3 24246 B12R1.1658 CCC(=O)N1CCCC(CC1)C 527a_100025706717_100000210414 [0,1,0,1,0,0|1,0,0]=3 24247 B12R1.1658 CCC(=O)N1CCCC(CC1)O 240690a_100015186869_100000210414 [0,1,0,1,0,0|1,0,0]=3 24248 B12R1.1658 CCC(=O)N1CCCC(CC1)O 527a_100015186869_100000210414 [0,1,0,1,0,0|1,0,0]=3 24249 B12R1.1658 CCC(=O)N1CCCN(CC1)C 2230a_200000743012_200000210301 [0,1,0,1,0,0|2,0,0]=4 24250 B12R1.1658 CCC(=O)N1CCCN(CC1)C 240690a_100000211313_100000210414 [0,1,0,1,0,0|2,0,0]=4 24251 B12R1.1658 CCC(=O)N1CCCN(CC1)C 269982a_200000743012_200000210301 [0,1,0,1,0,0|2,0,0]=4 24252 B12R1.1658 CCC(=O)N1CCCN(CC1)[13CH3] 2230a_200000743012_200025704644 [0,1,0,1,0,0|2,0,0]=4 24253 B12R1.1658 CCC(=O)N1CCCN(CC1)[13CH3] 269982a_200000743012_200025704644 [0,1,0,1,0,0|2,0,0]=4 24254 B12R1.1658 CCC(C)N1CCNC(=O)CC1 2230a_100000698595_100000758301 [0,1,0,1,0,0|2,0,0]=4 24255 B12R1.1658 CCC(C)N1CCNC(=O)CC1 269982a_100000698595_100000758301 [0,1,0,1,0,0|2,0,0]=4 24256 B12R1.1658 CNC(=O)N1CCCC(CC1)C 2708a_100102657272_100025706717 [0,1,0,1,0,0|2,0,0]=4 24257 B12R1.1658 CNC(=O)N1CCCC(CC1)C 273464a_100102657272_100025706717 [0,1,0,1,0,0|2,0,0]=4 24258 B12R1.1658 CNC(=O)N1CCCC(CC1)O 2708a_100102657272_100015186869 [0,1,0,1,0,0|2,0,0]=4 24259 B12R1.1658 CNC(=O)N1CCCC(CC1)O 273464a_100102657272_100015186869 [0,1,0,1,0,0|2,0,0]=4 24260 B12R1.1658 O=C(CO)N1CCCC(CC1)O 240690a_100015186869_100000210174 [0,1,0,1,0,0|2,0,0]=4 24261 B12R1.1658 O=C(CO)N1CCCC(CC1)O 527a_100015186869_100000210174 [0,1,0,1,0,0|2,0,0]=4 24262 B12R1.1678 CNC(=O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000737683 [0,1,0,1,0,0|2,0,0]=4 24263 B12R1.1678 CNC(=O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000737683 [0,1,0,1,0,0|2,0,0]=4 24264 B12R1.1678 COC(=O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000204255 [0,1,0,1,0,0|2,0,0]=4 24265 B12R1.1678 COC(=O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204255 [0,1,0,1,0,0|2,0,0]=4 24266 B12R1.1686 CNC(=O)CCCNC1(CC1)C 2230a_100000757604_100000741757 [0,1,0,1,0,0|2,0,0]=4 24267 B12R1.1686 CNC(=O)CCCOC1(CC1)C 7a_100011725673_100000741757 [0,1,0,1,0,0|2,0,0]=4 24268 B12R1.1686 CNC(=O)CCNCC1(CC1)C 2230a_100000766693_100000737683 [0,1,0,1,0,0|2,0,0]=4 24269 B12R1.1686 CNC(=O)CCNCC1(CC1)O 2230a_100011936951_100000737683 [0,1,0,1,0,0|2,0,0]=4 24270 B12R1.1686 CNC(=O)CCOCC1(CC1)C 7a_100000698024_100000737683 [0,1,0,1,0,0|2,0,0]=4 24271 B12R1.1686 CNC(=O)CCOCC1(CC1)F 34a_200000703853_100012179268 [0,1,0,1,0,0|2,0,0]=4 24272 B12R1.1686 CNC(=O)CCOCC1(CC1)F 7a_200000703853_100000737683 [0,1,0,1,0,0|2,0,0]=4 24273 B12R1.1686 COC(=O)CCCNC1(CC1)C 2230a_100000757604_100011218270 [0,1,0,1,0,0|2,0,0]=4 24274 B12R1.1686 COC(=O)CCCOC1(CC1)C 7a_100011725673_100011218270 [0,1,0,1,0,0|2,0,0]=4 24275 B12R1.1686 COC(=O)CCNCC1(CC1)C 2230a_100000766693_100000204255 [0,1,0,1,0,0|2,0,0]=4 24276 B12R1.1686 COC(=O)CCNCC1(CC1)O 2230a_100011936951_100000204255 [0,1,0,1,0,0|2,0,0]=4 24277 B12R1.1686 COC(=O)CCOCC1(CC1)C 7a_100000698024_100000204255 [0,1,0,1,0,0|2,0,0]=4 24278 B12R1.1686 COC(=O)CCOCC1(CC1)F 34a_200000703853_100000742370 [0,1,0,1,0,0|2,0,0]=4 24279 B12R1.1686 COC(=O)CCOCC1(CC1)F 7a_200000703853_100000204255 [0,1,0,1,0,0|2,0,0]=4 24280 B12R1.1710 CCC(=O)[C@H]1CC[C@H]1C(=O)OC 1458a_100009908320_100000210202 [0,1,0,1,0,0|1,0,1]=4 24281 B12R1.1710 CCC(C)N1CC[C@H]1C(=O)OC 2230a_102516456887_100000758301 [0,1,0,1,0,0|2,0,0]=4 24282 B12R1.1710 CCC(C)N1CC[C@H]1C(=O)OC 269982a_102516456887_100000758301 [0,1,0,1,0,0|2,0,0]=4 24283 B12R1.1747 CCC(C)CN1CC1C(=O)OC 2230a_200009830135_100000748023 [0,1,0,1,0,0|2,0,0]=4 24284 B12R1.1747 CCC(C)CN1CC1C(=O)OC 270004a_200009830135_100000243153 [0,1,0,1,0,0|2,0,0]=4 24285 B12R1.1747 CCC(O)CN1CC1C(=O)OC 2230a_200009830135_100011218378 [0,1,0,1,0,0|2,0,0]=4 24286 B12R1.1747 CC[C@H](C)CN1CC1C(=O)OC 2230a_200009830135_100009816398 [0,1,0,1,0,0|2,0,0]=4 24287 B12R1.21 C=C(C)COC1CCC(=O)CC1 34a_100000764474_100000748629 [0,1,0,1,0,0|1,0,1]=4 24288 B12R1.21 C=C(C)COC1CCC(=O)CC1 7a_100000764474_100000748629 [0,1,0,1,0,0|1,0,1]=4 24289 B12R1.21 C=C1CCC(CC1)COC(C)C 34a_100000074039_100000210206 [0,1,0,1,0,0|2,0,0]=4 24290 B12R1.21 C=C1CCC(CC1)NCC(C)C 270004a_100000210953_100010272673 [0,1,0,1,0,0|2,0,0]=4 24291 B12R1.21 C=C1CCC(CC1)NCC(C)O 270004a_100000210904_100010272673 [0,1,0,1,0,0|2,0,0]=4 24292 B12R1.21 C=C1CCN(CC1)CCC(C)C 2230a_100000752442_100000210312 [0,1,0,1,0,0|2,0,0]=4 24293 B12R1.21 C=C1CCN(CC1)CCC(C)C 269982a_100000752442_100000210312 [0,1,0,1,0,0|2,0,0]=4 24294 B12R1.21 C=C1CCN(CC1)CCC(C)C 34a_100000752442_100000210312 [0,1,0,1,0,0|2,0,0]=4 24295 B12R1.21 C=C1CCN(CC1)CCC(C)O 2230a_100000752442_100012276601 [0,1,0,1,0,0|2,0,0]=4 24296 B12R1.21 C=C1CCN(CC1)CCC(C)O 269982a_100000752442_100012276601 [0,1,0,1,0,0|2,0,0]=4 24297 B12R1.21 C=C1CCN(CC1)CCC(C)O 34a_100000752442_100012276601 [0,1,0,1,0,0|2,0,0]=4 24298 B12R1.21 CC(C)CCN1CCS(=O)CC1 2230a_100000752083_100000210312 [0,1,0,1,0,0|2,0,0]=4 24299 B12R1.21 CC(C)CCN1CCS(=O)CC1 269982a_100000752083_100000210312 [0,1,0,1,0,0|2,0,0]=4 24300 B12R1.21 CC(C)CNC1CCC(=O)NC1 2230a_100000748762_100000210760 [0,1,0,1,0,0|2,0,0]=4 24301 B12R1.21 CC(C)CNC1CCC(=O)NC1 270004a_100000748762_100000210432 [0,1,0,1,0,0|2,0,0]=4 24302 B12R1.21 CC(C)CNC1CCC(=O)NC1 34a_100000748762_100000210624 [0,1,0,1,0,0|2,0,0]=4 24303 B12R1.21 CC(C)COC1CCC(=O)CC1 34a_100000764474_100000210624 [0,1,0,1,0,0|1,0,0]=3 24304 B12R1.21 CC(C)COC1CCC(=O)CC1 7a_100000764474_100000210760 [0,1,0,1,0,0|1,0,0]=3 24305 B12R1.21 CC(C)COC1CCC(=O)NC1 34a_100000079199_100000210624 [0,1,0,1,0,0|2,0,0]=4 24306 B12R1.21 CC(C)OCC1CCC(=O)CC1 34a_100000062911_100000210206 [0,1,0,1,0,0|1,0,0]=3 24307 B12R1.21 CC(O)CCN1CCS(=O)CC1 2230a_100000752083_100012276601 [0,1,0,1,0,0|2,0,0]=4 24308 B12R1.21 CC(O)CCN1CCS(=O)CC1 269982a_100000752083_100012276601 [0,1,0,1,0,0|2,0,0]=4 24309 B12R1.21 CC(O)CNC1CCC(=O)NC1 2230a_100000748762_100011218427 [0,1,0,1,0,0|2,0,0]=4 24310 B12R1.21 CC(O)CNC1CCC(=O)NC1 34a_100000748762_100011218427 [0,1,0,1,0,0|2,0,0]=4 24311 B12R1.21 CC(O)COC1CCC(=O)CC1 34a_100000764474_100011218427 [0,1,0,1,0,0|1,0,0]=3 24312 B12R1.21 CC(O)COC1CCC(=O)CC1 7a_100000764474_100011218427 [0,1,0,1,0,0|1,0,0]=3 24313 B12R1.21 CC(O)COC1CCC(=O)NC1 34a_100000079199_100011218427 [0,1,0,1,0,0|2,0,0]=4 24314 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 2230a_100000748762_100009817552 [0,1,0,1,0,0|2,0,0]=4 24315 B12R1.21 C[C@@H](O)CNC1CCC(=O)NC1 34a_100000748762_100009817552 [0,1,0,1,0,0|2,0,0]=4 24316 B12R1.21 C[C@@H](O)COC1CCC(=O)CC1 34a_100000764474_100009817552 [0,1,0,1,0,0|1,0,0]=3 24317 B12R1.21 C[C@@H](O)COC1CCC(=O)CC1 7a_100000764474_100009817552 [0,1,0,1,0,0|1,0,0]=3 24318 B12R1.21 C[C@@H](O)COC1CCC(=O)NC1 34a_100000079199_100009817552 [0,1,0,1,0,0|2,0,0]=4 24319 B12R1.21 O=C1CCC(CC1)OCC(F)F 34a_100000764474_100011934356 [0,1,0,1,0,0|2,0,0]=4 24320 B12R1.21 O=C1CCC(CC1)OCC(F)F 7a_100000764474_100011934356 [0,1,0,1,0,0|2,0,0]=4 24321 B12R1.50 CC1CCCC(C1)CC(=O)CF 1458a_100000748788_100015361967 [0,1,0,1,0,0|1,0,0]=3 24322 B12R1.50 CC1CCCC(C1)NC(=O)CO 240690a_100011194320_100000210174 [0,1,0,1,0,0|2,0,0]=4 24323 B12R1.50 CC1CCCC(C1)NC(=O)CO 527a_100011194320_100000210174 [0,1,0,1,0,0|2,0,0]=4 24324 B12R1.50 CCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210202 [0,1,0,1,0,0|0,0,0]=2 24325 B12R1.50 CCC(=O)CC1CCCN(C1)C 1458a_100000210414_100015183302 [0,1,0,1,0,0|1,0,0]=3 24326 B12R1.50 CCC(=O)CN1CCCC(C1)F 269982a_100000697950_100000747405 [0,1,0,1,0,0|1,0,0]=3 24327 B12R1.50 CCC(=O)CN1CCCC(C1)O 269982a_100000211013_100000747405 [0,1,0,1,0,0|1,0,0]=3 24328 B12R1.50 CCC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747405 [0,1,0,1,0,0|1,0,0]=3 24329 B12R1.50 CCC(=O)CN1CCOC(C1)C 269982a_100000729577_100000747405 [0,1,0,1,0,0|2,0,0]=4 24330 B12R1.50 CCC(=O)CN1CCOC(C1)O 269982a_100000688207_100000747405 [0,1,0,1,0,0|2,0,0]=4 24331 B12R1.50 CCC(=O)NC1CCCC(C1)C 11a_100011194320_100000210414 [0,1,0,1,0,0|1,0,0]=3 24332 B12R1.50 CCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000210414 [0,1,0,1,0,0|1,0,0]=3 24333 B12R1.50 CCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000210414 [0,1,0,1,0,0|1,0,0]=3 24334 B12R1.50 CCC(=O)NC1CCCC(C1)C 527a_100011194320_100000210414 [0,1,0,1,0,0|1,0,0]=3 24335 B12R1.50 CCC(=O)NC1CCCC(C1)O 1626a_100015190357_100000210414 [0,1,0,1,0,0|1,0,0]=3 24336 B12R1.50 CCC(=O)NC1CCCC(C1)O 240690a_100015190357_100000210414 [0,1,0,1,0,0|1,0,0]=3 24337 B12R1.50 CCC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100000210414 [0,1,0,1,0,0|2,0,0]=4 24338 B12R1.50 CCC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100000210414 [0,1,0,1,0,0|2,0,0]=4 24339 B12R1.50 CN1CCCC(C1)CC(=O)CO 1458a_100000210174_100015183302 [0,1,0,1,0,0|2,0,0]=4 24340 B12R1.50 CNC(=O)CC1CCCC(C1)C 11a_106832991635_100000748788 [0,1,0,1,0,0|1,0,0]=3 24341 B12R1.50 CNC(=O)CC1CCCC(C1)C 1626a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 24342 B12R1.50 CNC(=O)CC1CCCC(C1)C 240690a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 24343 B12R1.50 CNC(=O)CC1CCCC(C1)C 527a_100102657272_100000748788 [0,1,0,1,0,0|1,0,0]=3 24344 B12R1.50 CNC(=O)CN1CCCC(C1)F 2230a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 24345 B12R1.50 CNC(=O)CN1CCCC(C1)F 269982a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 24346 B12R1.50 CNC(=O)CN1CCCC(C1)F 34a_100000697950_100000183359 [0,1,0,1,0,0|2,0,0]=4 24347 B12R1.50 CNC(=O)CN1CCCC(C1)O 2230a_100000211013_100000183359 [0,1,0,1,0,0|2,0,0]=4 24348 B12R1.50 CNC(=O)CN1CCCC(C1)O 269982a_100000211013_100000183359 [0,1,0,1,0,0|2,0,0]=4 24349 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 24350 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 24351 B12R1.50 CNC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000183359 [0,1,0,1,0,0|2,0,0]=4 24352 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100011194320_106832991635 [0,1,0,1,0,0|2,0,0]=4 24353 B12R1.50 CNC(=O)NC1CCCC(C1)C 2708a_100102657272_100011194320 [0,1,0,1,0,0|2,0,0]=4 24354 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100011194320_100102657272 [0,1,0,1,0,0|2,0,0]=4 24355 B12R1.50 CNC(=O)NC1CCCC(C1)C 273464a_100102657272_100011194320 [0,1,0,1,0,0|2,0,0]=4 24356 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_100011194320_100102657272 [0,1,0,1,0,0|2,0,0]=4 24357 B12R1.50 CNC(=O)NC1CCCC(C1)C 512a_106832991638_100011194320 [0,1,0,1,0,0|2,0,0]=4 24358 B12R1.50 CNC(=O)NC1CCCC(C1)O 2708a_100102657272_100015190357 [0,1,0,1,0,0|2,0,0]=4 24359 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100015190357_100102657272 [0,1,0,1,0,0|2,0,0]=4 24360 B12R1.50 CNC(=O)NC1CCCC(C1)O 273464a_100102657272_100015190357 [0,1,0,1,0,0|2,0,0]=4 24361 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_100015190357_100102657272 [0,1,0,1,0,0|2,0,0]=4 24362 B12R1.50 CNC(=O)NC1CCCC(C1)O 512a_106832991638_100015190357 [0,1,0,1,0,0|2,0,0]=4 24363 B12R1.50 COC(=O)CC1CCCN(C1)C 2230a_100016989293_200000210301 [0,1,0,1,0,0|2,0,0]=4 24364 B12R1.50 COC(=O)CC1CCCN(C1)C 269982a_100016989293_200000210301 [0,1,0,1,0,0|2,0,0]=4 24365 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 2230a_100016989293_200025704644 [0,1,0,1,0,0|2,0,0]=4 24366 B12R1.50 COC(=O)CC1CCCN(C1)[13CH3] 269982a_100016989293_200025704644 [0,1,0,1,0,0|2,0,0]=4 24367 B12R1.50 COC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747449 [0,1,0,1,0,0|2,0,0]=4 24368 B12R1.50 COC(=O)CN1CCCC(C1)F 269982a_100000697950_100000747449 [0,1,0,1,0,0|2,0,0]=4 24369 B12R1.50 COC(=O)CN1CCCC(C1)F 34a_100000697950_100000747449 [0,1,0,1,0,0|2,0,0]=4 24370 B12R1.50 COC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747449 [0,1,0,1,0,0|2,0,0]=4 24371 B12R1.50 COC(=O)CN1CCCC(C1)O 269982a_100000211013_100000747449 [0,1,0,1,0,0|2,0,0]=4 24372 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 24373 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 24374 B12R1.50 COC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000747449 [0,1,0,1,0,0|2,0,0]=4 24375 B12R1.50 O=C(CO)NC1CCCC(C1)O 240690a_100015190357_100000210174 [0,1,0,1,0,0|2,0,0]=4 24376 B12R1.105 C=C(C)CCOC1CCC(=O)C1 34a_100012614533_100000730704 [0,1,0,1,0,0|1,0,1]=4 24377 B12R1.105 CC(C)CCCN1CNC(=O)C1 2230a_200000708111_100011214892 [0,1,0,1,0,0|2,0,0]=4 24378 B12R1.105 CC(C)CCNC1CNC(=O)C1 2230a_100000697751_100000210312 [0,1,0,1,0,0|2,0,0]=4 24379 B12R1.105 CC(C)CCNC1CNC(=O)C1 269862a_100000697751_100000185833 [0,1,0,1,0,0|2,0,0]=4 24380 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,1,0,1,0,0|1,0,0]=3 24381 B12R1.105 CC(C)CCOC1CNC(=O)C1 34a_100000690082_100000210312 [0,1,0,1,0,0|2,0,0]=4 24382 B12R1.105 CC(C)CNCC1CNC(=O)C1 2230a_100016993742_100000210760 [0,1,0,1,0,0|2,0,0]=4 24383 B12R1.105 CC(C)CNCC1CNC(=O)C1 34a_100016993742_100000210624 [0,1,0,1,0,0|2,0,0]=4 24384 B12R1.105 CC(C)CNC[C@@H]1CCC(=O)N1 2230a_100000210953_100015189358 [0,1,0,1,0,0|2,0,0]=4 24385 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210760 [0,1,0,1,0,0|2,0,0]=4 24386 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000210432 [0,1,0,1,0,0|2,0,0]=4 24387 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000210624 [0,1,0,1,0,0|2,0,0]=4 24388 B12R1.105 CC(C)COCC1CCC(=O)N1 34a_100000737831_100000210624 [0,1,0,1,0,0|2,0,0]=4 24389 B12R1.105 CC(C)COCC1CNC(=O)C1 34a_100016041077_100000210624 [0,1,0,1,0,0|2,0,0]=4 24390 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100000210624_100015189358 [0,1,0,1,0,0|2,0,0]=4 24391 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210760 [0,1,0,1,0,0|2,0,0]=4 24392 B12R1.105 CC(C)OCOC1CCC(=O)C1 34a_100012614533_100000709892 [0,1,0,1,0,0|2,0,0]=4 24393 B12R1.105 CC(O)CCCN1CNC(=O)C1 2230a_200000708111_200000718107 [0,1,0,1,0,0|2,0,0]=4 24394 B12R1.105 CC(O)CCNC1CNC(=O)C1 2230a_100000697751_100012276601 [0,1,0,1,0,0|2,0,0]=4 24395 B12R1.105 CC(O)CCOC1CCC(=O)C1 34a_100012614533_100012276601 [0,1,0,1,0,0|1,0,0]=3 24396 B12R1.105 CC(O)CCOC1CNC(=O)C1 34a_100000690082_100012276601 [0,1,0,1,0,0|2,0,0]=4 24397 B12R1.105 CC(O)CNCC1CNC(=O)C1 2230a_100016993742_100011218427 [0,1,0,1,0,0|2,0,0]=4 24398 B12R1.105 CC(O)CNCC1CNC(=O)C1 34a_100016993742_100011218427 [0,1,0,1,0,0|2,0,0]=4 24399 B12R1.105 CC(O)CNC[C@@H]1CCC(=O)N1 2230a_100000210904_100015189358 [0,1,0,1,0,0|2,0,0]=4 24400 B12R1.105 CC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218427 [0,1,0,1,0,0|2,0,0]=4 24401 B12R1.105 CC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011218427 [0,1,0,1,0,0|2,0,0]=4 24402 B12R1.105 CC(O)COCC1CCC(=O)N1 34a_100000737831_100011218427 [0,1,0,1,0,0|2,0,0]=4 24403 B12R1.105 CC(O)COCC1CNC(=O)C1 34a_100016041077_100011218427 [0,1,0,1,0,0|2,0,0]=4 24404 B12R1.105 CC(O)CSC[C@@H]1CCC(=O)N1 62a_100011218427_100015189358 [0,1,0,1,0,0|2,0,0]=4 24405 B12R1.105 CC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218427 [0,1,0,1,0,0|2,0,0]=4 24406 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 2230a_100016993742_100009817552 [0,1,0,1,0,0|2,0,0]=4 24407 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 34a_100016993742_100009817552 [0,1,0,1,0,0|2,0,0]=4 24408 B12R1.105 C[C@@H](O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100009817552 [0,1,0,1,0,0|2,0,0]=4 24409 B12R1.105 C[C@@H](O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100009817552 [0,1,0,1,0,0|2,0,0]=4 24410 B12R1.105 C[C@@H](O)COCC1CCC(=O)N1 34a_100000737831_100009817552 [0,1,0,1,0,0|2,0,0]=4 24411 B12R1.105 C[C@@H](O)COCC1CNC(=O)C1 34a_100016041077_100009817552 [0,1,0,1,0,0|2,0,0]=4 24412 B12R1.105 C[C@@H](O)CSC[C@@H]1CCC(=O)N1 62a_100009817552_100015189358 [0,1,0,1,0,0|2,0,0]=4 24413 B12R1.105 C[C@@H](O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100009817552 [0,1,0,1,0,0|2,0,0]=4 24414 B12R1.224 CC(C)CN1CCNC(=O)C1C 2230a_100000750721_100000210760 [0,1,0,1,0,0|2,0,0]=4 24415 B12R1.224 CC(C)CN1CCNC(=O)C1C 269982a_100000750721_100000210624 [0,1,0,1,0,0|2,0,0]=4 24416 B12R1.224 CC(C)CN1CCNC(=O)C1C 270004a_100000750721_100000210432 [0,1,0,1,0,0|2,0,0]=4 24417 B12R1.224 CC(C)CN1CCNC(=O)C1C 34a_100000750721_100000210624 [0,1,0,1,0,0|2,0,0]=4 24418 B12R1.224 CC(O)CN1CCNC(=O)C1C 2230a_100000750721_100011218427 [0,1,0,1,0,0|2,0,0]=4 24419 B12R1.224 CC(O)CN1CCNC(=O)C1C 269982a_100000750721_100011218427 [0,1,0,1,0,0|2,0,0]=4 24420 B12R1.224 CC(O)CN1CCNC(=O)C1C 34a_100000750721_100011218427 [0,1,0,1,0,0|2,0,0]=4 24421 B12R1.224 CC1C(=O)NCCN1C[C@@H](C)O 2230a_100000750721_100009817552 [0,1,0,1,0,0|2,0,0]=4 24422 B12R1.224 CC1C(=O)NCCN1C[C@@H](C)O 269982a_100000750721_100009817552 [0,1,0,1,0,0|2,0,0]=4 24423 B12R1.224 CC1C(=O)NCCN1C[C@@H](C)O 34a_100000750721_100009817552 [0,1,0,1,0,0|2,0,0]=4 24424 B12R1.229 C=C(C)CSCCC1CCC1=O 62a_100000748629_200016118888 [0,1,0,1,0,0|1,0,1]=4 24425 B12R1.229 C=C(C)CSCCC1CCC1=O 62a_200016118888_100000211660 [0,1,0,1,0,0|1,0,1]=4 24426 B12R1.229 CC(=O)CCCOC1CCC1=O 34a_100000759063_100009892977 [0,1,0,1,0,0|1,0,1]=4 24427 B12R1.229 CC(=O)CCCOC1CCC1=O 7a_100000759063_100009892977 [0,1,0,1,0,0|1,0,1]=4 24428 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100009892977_100011215641 [0,1,0,1,0,0|1,0,1]=4 24429 B12R1.229 CC(=O)CCCSC1CCC1=O 62a_100011215641_100009892977 [0,1,0,1,0,0|1,0,1]=4 24430 B12R1.229 CC(C)CCCNC1CCC1=O 34a_200000737386_100009892977 [0,1,0,1,0,0|1,0,0]=3 24431 B12R1.229 CC(C)CCCOC1CCC1=O 34a_100000210774_100009892977 [0,1,0,1,0,0|1,0,0]=3 24432 B12R1.229 CC(C)CCCOC1CCC1=O 7a_100000210774_100009892977 [0,1,0,1,0,0|1,0,0]=3 24433 B12R1.229 CC(C)CCCSC1CCC1=O 62a_100009892977_100011214892 [0,1,0,1,0,0|1,0,0]=3 24434 B12R1.229 CC(C)CCCSC1CCC1=O 62a_100011214892_100009892977 [0,1,0,1,0,0|1,0,0]=3 24435 B12R1.229 CC(C)CNCCC1CCC1=O 2230a_100000210953_200016118888 [0,1,0,1,0,0|1,0,0]=3 24436 B12R1.229 CC(C)CSCCC1CCC1=O 62a_100000210624_200016118888 [0,1,0,1,0,0|1,0,0]=3 24437 B12R1.229 CC(C)CSCCC1CCC1=O 62a_200016118888_100000210760 [0,1,0,1,0,0|1,0,0]=3 24438 B12R1.229 CC(C)NCCOC1CCC1=O 34a_100000224655_100009892977 [0,1,0,1,0,0|2,0,0]=4 24439 B12R1.229 CC(C)OCCNC1CCC1=O 34a_100000701111_100009892977 [0,1,0,1,0,0|2,0,0]=4 24440 B12R1.229 CC(C)OCCOC1CCC1=O 34a_100000211219_100009892977 [0,1,0,1,0,0|2,0,0]=4 24441 B12R1.229 CC(C)OCCOC1CCC1=O 7a_100000211219_100009892977 [0,1,0,1,0,0|2,0,0]=4 24442 B12R1.229 CC(C)OCCSC1CCC1=O 62a_100000211751_100009892977 [0,1,0,1,0,0|2,0,0]=4 24443 B12R1.229 CC(C)OCCSC1CCC1=O 62a_100009892977_100000211751 [0,1,0,1,0,0|2,0,0]=4 24444 B12R1.229 CC(C)SCCNC1CCC1=O 34a_100000731138_100009892977 [0,1,0,1,0,0|2,0,0]=4 24445 B12R1.229 CC(C)SCCOC1CCC1=O 34a_200011212901_100009892977 [0,1,0,1,0,0|2,0,0]=4 24446 B12R1.229 CC(C)SCCOC1CCC1=O 7a_200011212901_100009892977 [0,1,0,1,0,0|2,0,0]=4 24447 B12R1.229 CC(C)SCCSC1CCC1=O 62a_100000730970_100009892977 [0,1,0,1,0,0|2,0,0]=4 24448 B12R1.229 CC(C)SCCSC1CCC1=O 62a_100009892977_100000730970 [0,1,0,1,0,0|2,0,0]=4 24449 B12R1.229 CC(O)CCCSC1CCC1=O 62a_100009892977_200000718107 [0,1,0,1,0,0|1,0,0]=3 24450 B12R1.229 CC(O)CCCSC1CCC1=O 62a_200000718107_100009892977 [0,1,0,1,0,0|1,0,0]=3 24451 B12R1.229 CC(O)CNCCC1CCC1=O 2230a_100000210904_200016118888 [0,1,0,1,0,0|1,0,0]=3 24452 B12R1.229 CC(O)CSCCC1CCC1=O 62a_100011218427_200016118888 [0,1,0,1,0,0|1,0,0]=3 24453 B12R1.229 CC(O)CSCCC1CCC1=O 62a_200016118888_100011218427 [0,1,0,1,0,0|1,0,0]=3 24454 B12R1.229 CN(C)CCCSC1CCC1=O 62a_100009892977_100000757444 [0,1,0,1,0,0|2,0,0]=4 24455 B12R1.229 C[C@@H](O)CSCCC1CCC1=O 62a_100009817552_200016118888 [0,1,0,1,0,0|1,0,0]=3 24456 B12R1.229 C[C@@H](O)CSCCC1CCC1=O 62a_200016118888_100009817552 [0,1,0,1,0,0|1,0,0]=3 24457 B12R1.229 O=C1CCC1CCSCC(F)F 62a_100011934356_200016118888 [0,1,0,1,0,0|2,0,0]=4 24458 B12R1.229 O=C1CCC1CCSCC(F)F 62a_200016118888_100011934356 [0,1,0,1,0,0|2,0,0]=4 24459 B12R1.257 CC(C)CCCCCN1CCC1 269982a_100000754969_100000210682 [0,1,0,1,0,0|2,0,0]=4 24460 B12R1.366 CCC(=O)N1CCOCC1(C)C 11a_100000724681_100000210414 [0,1,0,1,0,0|2,0,0]=4 24461 B12R1.366 CCC(=O)N1CCOCC1(C)C 1626a_100000724681_100000210414 [0,1,0,1,0,0|2,0,0]=4 24462 B12R1.366 CCC(=O)N1CCOCC1(C)C 240690a_100000724681_100000210414 [0,1,0,1,0,0|2,0,0]=4 24463 B12R1.368 CC(C)C1CCCN1C(=O)CO 240690a_100000762757_100000210174 [0,1,0,1,0,0|2,0,0]=4 24464 B12R1.368 CC(C)C1CCCN1C(=O)CO 527a_100000762757_100000210174 [0,1,0,1,0,0|2,0,0]=4 24465 B12R1.368 CC(C)N1CCC[C@@H]1C(=O)CF 1458a_100009927065_100015361967 [0,1,0,1,0,0|2,0,0]=4 24466 B12R1.368 CCC(=O)N1CCCC1C(=O)C 1458a_200000194913_200000210301 [0,1,0,1,0,0|1,0,1]=4 24467 B12R1.368 CCC(=O)N1CCCC1C(=O)[13CH3] 1458a_200000194913_200025704644 [0,1,0,1,0,0|1,0,1]=4 24468 B12R1.368 CCC(=O)N1CCCC1C(C)C 11a_100000762757_100000210414 [0,1,0,1,0,0|1,0,0]=3 24469 B12R1.368 CCC(=O)N1CCCC1C(C)C 1626a_100000762757_100000210414 [0,1,0,1,0,0|1,0,0]=3 24470 B12R1.368 CCC(=O)N1CCCC1C(C)C 240690a_100000762757_100000210414 [0,1,0,1,0,0|1,0,0]=3 24471 B12R1.368 CCC(=O)N1CCCC1C(C)C 527a_100000762757_100000210414 [0,1,0,1,0,0|1,0,0]=3 24472 B12R1.368 CCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210202 [0,1,0,1,0,0|1,0,1]=4 24473 B12R1.368 CCC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_100000210202 [0,1,0,1,0,0|1,0,0]=3 24474 B12R1.368 CNC(=O)N1CCCC1C(C)C 2708a_100102657272_100000762757 [0,1,0,1,0,0|2,0,0]=4 24475 B12R1.368 CNC(=O)N1CCCC1C(C)C 273464a_100102657272_100000762757 [0,1,0,1,0,0|2,0,0]=4 24476 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 2230a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 24477 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 269982a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 24478 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 34a_100015185040_100000210206 [0,1,0,1,0,0|2,0,0]=4 24479 B12R1.368 CNC(=O)[C@H]1CCCN1C(C)C 240690a_100102657272_100009927065 [0,1,0,1,0,0|2,0,0]=4 24480 B12R1.368 CNC(=O)[C@H]1CCCN1C(C)C 527a_100102657272_100009927065 [0,1,0,1,0,0|2,0,0]=4 24481 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 2230a_100000752040_100000210206 [0,1,0,1,0,0|2,0,0]=4 24482 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 269982a_100000752040_100000210206 [0,1,0,1,0,0|2,0,0]=4 24483 B12R1.394 CCC(=O)CSCC1CC(=O)C1 62a_100000747405_100009874392 [0,1,0,1,0,0|1,0,1]=4 24484 B12R1.394 CCC(=O)CSCC1CC(=O)C1 62a_100009874392_100000747405 [0,1,0,1,0,0|1,0,1]=4 24485 B12R1.394 CNC(=O)CCCN1CC(C1)C 2230a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 24486 B12R1.394 CNC(=O)CCCN1CC(C1)C 269982a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 24487 B12R1.394 CNC(=O)CCCN1CC(C1)C 34a_100000702820_100000741757 [0,1,0,1,0,0|2,0,0]=4 24488 B12R1.394 CNC(=O)CCCN1CC(C1)F 2230a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 24489 B12R1.394 CNC(=O)CCCN1CC(C1)F 269982a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 24490 B12R1.394 CNC(=O)CCCN1CC(C1)F 34a_100000690557_100000741757 [0,1,0,1,0,0|2,0,0]=4 24491 B12R1.394 CNC(=O)CCCN1CC(C1)O 269982a_100000749847_100000741757 [0,1,0,1,0,0|2,0,0]=4 24492 B12R1.394 CNC(=O)CCNC1CC(C1)F 2230a_100016993743_100000737683 [0,1,0,1,0,0|2,0,0]=4 24493 B12R1.394 CNC(=O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000737683 [0,1,0,1,0,0|2,0,0]=4 24494 B12R1.394 CNC(=O)CNCC1CC(C1)O 2230a_100016992100_100000183359 [0,1,0,1,0,0|2,0,0]=4 24495 B12R1.394 CNC(=O)COCC1CC(C1)Cl 34a_100009874164_100000183359 [0,1,0,1,0,0|2,0,0]=4 24496 B12R1.394 COC(=O)CCCN1CC(C1)C 2230a_100000702820_100011218270 [0,1,0,1,0,0|2,0,0]=4 24497 B12R1.394 COC(=O)CCCN1CC(C1)C 269982a_100000702820_100011218270 [0,1,0,1,0,0|2,0,0]=4 24498 B12R1.394 COC(=O)CCCN1CC(C1)C 34a_100000702820_100000742333 [0,1,0,1,0,0|2,0,0]=4 24499 B12R1.394 COC(=O)CCCN1CC(C1)F 2230a_100000690557_100011218270 [0,1,0,1,0,0|2,0,0]=4 24500 B12R1.394 COC(=O)CCCN1CC(C1)F 269982a_100000690557_100011218270 [0,1,0,1,0,0|2,0,0]=4 24501 B12R1.394 COC(=O)CCCN1CC(C1)F 34a_100000690557_100000742333 [0,1,0,1,0,0|2,0,0]=4 24502 B12R1.394 COC(=O)CCCN1CC(C1)O 269982a_100000749847_100011218270 [0,1,0,1,0,0|2,0,0]=4 24503 B12R1.394 COC(=O)CCNC1CC(C1)F 2230a_100016993743_100000204255 [0,1,0,1,0,0|2,0,0]=4 24504 B12R1.394 COC(=O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000204255 [0,1,0,1,0,0|2,0,0]=4 24505 B12R1.394 COC(=O)CNCC1CC(C1)O 2230a_100016992100_100000747449 [0,1,0,1,0,0|2,0,0]=4 24506 B12R1.394 COC(=O)COCC1CC(C1)Cl 34a_100009874164_100000747449 [0,1,0,1,0,0|2,0,0]=4 24507 B12R1.534 CCC(=O)CN1CCCC1(C)C 269982a_100000761399_100000747405 [0,1,0,1,0,0|1,0,0]=3 24508 B12R1.534 CCC(=O)CN1CCSC1(C)C 269982a_100011217261_100000747405 [0,1,0,1,0,0|2,0,0]=4 24509 B12R1.534 CCC(=O)CN1COCC1(C)C 269982a_100000043020_100000747405 [0,1,0,1,0,0|2,0,0]=4 24510 B12R1.534 CCC(=O)NC1CCCC1(F)F 11a_100000767123_100000210414 [0,1,0,1,0,0|2,0,0]=4 24511 B12R1.534 CCC(=O)NC1CCCC1(F)F 1626a_100000767123_100000210414 [0,1,0,1,0,0|2,0,0]=4 24512 B12R1.534 CCC(=O)NC1CCCC1(F)F 240690a_100000767123_100000210414 [0,1,0,1,0,0|2,0,0]=4 24513 B12R1.534 CCC(=O)NC1CCCC1(F)F 527a_100000767123_100000210414 [0,1,0,1,0,0|2,0,0]=4 24514 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100000210414 [0,1,0,1,0,0|1,0,0]=3 24515 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100000210414 [0,1,0,1,0,0|1,0,0]=3 24516 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100000210414 [0,1,0,1,0,0|1,0,0]=3 24517 B12R1.534 CCC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100000210414 [0,1,0,1,0,0|1,0,0]=3 24518 B12R1.534 CNC(=O)CN1CCCC1(C)C 2230a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 24519 B12R1.534 CNC(=O)CN1CCCC1(C)C 269982a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 24520 B12R1.534 CNC(=O)CN1CCCC1(C)C 34a_100000761399_100000183359 [0,1,0,1,0,0|2,0,0]=4 24521 B12R1.534 CNC(=O)N[C@@H]1CCC[C@@]1(C)O 2708a_100102657272_100015977457 [0,1,0,1,0,0|2,0,0]=4 24522 B12R1.534 CNC(=O)N[C@@H]1CCC[C@@]1(C)O 273464a_100102657272_100015977457 [0,1,0,1,0,0|2,0,0]=4 24523 B12R1.534 CNC(=O)N[C@@H]1CCC[C@@]1(C)O 512a_100015977457_100102657272 [0,1,0,1,0,0|2,0,0]=4 24524 B12R1.534 CNC(=O)N[C@@H]1CCC[C@@]1(C)O 512a_106832991638_100015977457 [0,1,0,1,0,0|2,0,0]=4 24525 B12R1.534 COC(=O)CN1CCCC1(C)C 2230a_100000761399_100000747449 [0,1,0,1,0,0|2,0,0]=4 24526 B12R1.534 COC(=O)CN1CCCC1(C)C 269982a_100000761399_100000747449 [0,1,0,1,0,0|2,0,0]=4 24527 B12R1.534 COC(=O)CN1CCCC1(C)C 34a_100000761399_100000747449 [0,1,0,1,0,0|2,0,0]=4 24528 B12R1.534 C[C@]1(CCC[C@H]1NC(=O)CO)O 240690a_100015977457_100000210174 [0,1,0,1,0,0|2,0,0]=4 24529 B12R1.534 C[C@]1(CCC[C@H]1NC(=O)CO)O 527a_100015977457_100000210174 [0,1,0,1,0,0|2,0,0]=4 24530 B12R1.1020 CC(C)CN1CCNC(=O)CC1 2230a_100000698595_100000210760 [0,1,0,1,0,0|2,0,0]=4 24531 B12R1.1020 CC(C)CN1CCNC(=O)CC1 269982a_100000698595_100000210624 [0,1,0,1,0,0|2,0,0]=4 24532 B12R1.1020 CC(C)CN1CCNC(=O)CC1 270004a_100000698595_100000210432 [0,1,0,1,0,0|2,0,0]=4 24533 B12R1.1020 CC(O)CN1CCNC(=O)CC1 2230a_100000698595_100011218427 [0,1,0,1,0,0|2,0,0]=4 24534 B12R1.1020 CC(O)CN1CCNC(=O)CC1 269982a_100000698595_100011218427 [0,1,0,1,0,0|2,0,0]=4 24535 B12R1.1020 C[C@@H](O)CN1CCNC(=O)CC1 2230a_100000698595_100009817552 [0,1,0,1,0,0|2,0,0]=4 24536 B12R1.1020 C[C@@H](O)CN1CCNC(=O)CC1 269982a_100000698595_100009817552 [0,1,0,1,0,0|2,0,0]=4 24537 B12R1.1651 COC(=O)C1CN1CCC(C)C 2230a_200009830135_100000210312 [0,1,0,1,0,0|2,0,0]=4 24538 B12R1.1651 COC(=O)C1CN1CCC(C)O 2230a_200009830135_100012276601 [0,1,0,1,0,0|2,0,0]=4 24539 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 2230a_102516456887_100000210760 [0,1,0,1,0,0|2,0,0]=4 24540 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 269982a_102516456887_100000210624 [0,1,0,1,0,0|2,0,0]=4 24541 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)C 270004a_102516456887_100000210432 [0,1,0,1,0,0|2,0,0]=4 24542 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)O 2230a_102516456887_100011218427 [0,1,0,1,0,0|2,0,0]=4 24543 B12R1.1708 COC(=O)[C@@H]1CCN1CC(C)O 269982a_102516456887_100011218427 [0,1,0,1,0,0|2,0,0]=4 24544 B12R1.1708 COC(=O)[C@@H]1CCN1C[C@@H](C)O 2230a_102516456887_100009817552 [0,1,0,1,0,0|2,0,0]=4 24545 B12R1.1708 COC(=O)[C@@H]1CCN1C[C@@H](C)O 269982a_102516456887_100009817552 [0,1,0,1,0,0|2,0,0]=4 24546 B12R1.1848 CCC(=O)COCC1CC1(C)C 7a_100000728257_100000747405 [0,1,0,1,0,0|1,0,0]=3 24547 B12R1.1848 CCC(=O)COCC1CC1(F)F 34a_100000725409_100009817841 [0,1,0,1,0,0|2,0,0]=4 24548 B12R1.1848 CCC(=O)COCC1CC1(F)F 7a_100000056500_100000747405 [0,1,0,1,0,0|2,0,0]=4 24549 B12R1.1848 CCC(=O)COCC1OC1(C)C 7a_200010283642_100000747405 [0,1,0,1,0,0|2,0,0]=4 24550 B12R1.1848 CCC(=O)CSCC1CC1(F)F 62a_100000747405_100009817841 [0,1,0,1,0,0|2,0,0]=4 24551 B12R1.1848 CCC(=O)CSCC1CC1(F)F 62a_100009817841_100000747405 [0,1,0,1,0,0|2,0,0]=4 24552 B12R1.1848 CNC(=O)COCC1CC1(C)C 34a_100000728257_100000183359 [0,1,0,1,0,0|2,0,0]=4 24553 B12R1.1848 CNC(=O)COCC1CC1(C)C 7a_100000728257_100000183359 [0,1,0,1,0,0|2,0,0]=4 24554 B12R1.1848 COC(=O)COCC1CC1(C)C 34a_100000728257_100000747449 [0,1,0,1,0,0|2,0,0]=4 24555 B12R1.1848 COC(=O)COCC1CC1(C)C 7a_100000728257_100000747449 [0,1,0,1,0,0|2,0,0]=4 24556 B12R1.83 CCC1CCCC1N(CC)CC 270004a_100000724800_100000749056 [0,1,0,1,0,0|2,0,0]=4 24557 B12R1.118 CCN(CC)CC1CCCCC1 2230a_100000724800_100000211423 [0,1,0,1,0,0|2,0,0]=4 24558 B12R1.118 CCN(CC)CC1CCCCC1 269956a_100000042499_100000211423 [0,1,0,1,0,0|2,0,0]=4 24559 B12R1.118 CCN(CC)CC1CCCCC1 269982a_100000724800_100000211423 [0,1,0,1,0,0|2,0,0]=4 24560 B12R1.243 CCN(CC)C1CCCCC1C 270004a_100000724800_100000210921 [0,1,0,1,0,0|2,0,0]=4 24561 B12R1.297 CCN(CC)CCC1CCCC1 2230a_100000724800_100000760354 [0,1,0,1,0,0|2,0,0]=4 24562 B12R1.297 CCN(CC)CCC1CCCC1 269956a_100000042499_100000760354 [0,1,0,1,0,0|2,0,0]=4 24563 B12R1.297 CCN(CC)CCC1CCCC1 269982a_100000724800_100000760354 [0,1,0,1,0,0|2,0,0]=4 24564 B12R1.1287 CCN(CC)C1CCCCCC1 2230a_114901603759_100000210202 [0,1,0,1,0,0|2,0,0]=4 24565 B12R1.1287 CCN(CC)C1CCCCCC1 269956a_100000042499_100011217769 [0,1,0,1,0,0|2,0,0]=4 24566 B12R1.1287 CCN(CC)C1CCCCCC1 269982a_100000724800_100011217769 [0,1,0,1,0,0|2,0,0]=4 24567 B12R1.1287 CCN(CC)C1CCCCCC1 269982a_114901603759_100000204670 [0,1,0,1,0,0|2,0,0]=4 24568 B12R1.1287 CCN(CC)C1CCCCCC1 270004a_100000724800_100000210131 [0,1,0,1,0,0|2,0,0]=4 24569 B12R1.1287 CCN(CC)C1CCCCCC1 34a_114901603759_100000210202 [0,1,0,1,0,0|2,0,0]=4 24570 B12R1.1287 CCN(CF)C1CCCCCC1 269982a_114901603759_100015361967 [0,1,0,1,0,0|2,0,0]=4 24571 B12R1.1287 CCN(CF)C1CCCCCC1 34a_114901603759_100015361967 [0,1,0,1,0,0|2,0,0]=4 24572 B12R1.34 CC(C(=O)CF)C1CCCCC1 1458a_100011435303_100015361967 [0,1,0,1,0,0|1,0,0]=3 24573 B12R1.34 CCC(=O)C(=O)N1CCCCC1 1458a_200011297168_100000210202 [0,1,0,1,0,0|1,0,1]=4 24574 B12R1.34 CCC(=O)C(C)C1CCCCC1 1458a_100011435303_100000210202 [0,1,0,1,0,0|0,0,0]=2 24575 B12R1.34 CCC(=O)C(C)N1CCCOC1 2230a_100000131196_100000742827 [0,1,0,1,0,0|2,0,0]=4 24576 B12R1.34 CCC(=O)C(C)N1CCCOC1 269982a_100000131196_100000742827 [0,1,0,1,0,0|2,0,0]=4 24577 B12R1.34 CCC(=O)C(C)N1CCOCC1 2230a_100015191051_100000742827 [0,1,0,1,0,0|2,0,0]=4 24578 B12R1.34 CCC(=O)C(C)N1CCOCC1 269982a_100015191051_100000742827 [0,1,0,1,0,0|2,0,0]=4 24579 B12R1.34 CCC(=O)C(C)N1CCSCC1 2230a_100000737611_100000742827 [0,1,0,1,0,0|2,0,0]=4 24580 B12R1.34 CCC(=O)C(C)N1CCSCC1 269982a_100000737611_100000742827 [0,1,0,1,0,0|2,0,0]=4 24581 B12R1.34 CCC(=O)C(O)C1CCCCC1 1458a_100000242593_100000210202 [0,1,0,1,0,0|0,0,0]=2 24582 B12R1.34 CCC(=O)N(C)C1CCCCC1 11a_100000207522_100000210414 [0,1,0,1,0,0|1,0,0]=3 24583 B12R1.34 CCC(=O)N(C)C1CCCCC1 1626a_100000207522_100000210414 [0,1,0,1,0,0|1,0,0]=3 24584 B12R1.34 CCC(=O)N(C)C1CCCCC1 240690a_100000207522_100000210414 [0,1,0,1,0,0|1,0,0]=3 24585 B12R1.34 CCC(=O)N(C)C1CCCCC1 527a_100000207522_100000210414 [0,1,0,1,0,0|1,0,0]=3 24586 B12R1.34 CCC(=O)N(C)C1CCOCC1 11a_100020587155_100000210414 [0,1,0,1,0,0|2,0,0]=4 24587 B12R1.34 CCC(=O)N(C)C1CCOCC1 1626a_100020587155_100000210414 [0,1,0,1,0,0|2,0,0]=4 24588 B12R1.34 CCC(=O)N(C)C1CCOCC1 240690a_100020587155_100000210414 [0,1,0,1,0,0|2,0,0]=4 24589 B12R1.34 CCC(=O)N(C)C1CCOCC1 527a_100020587155_100000210414 [0,1,0,1,0,0|2,0,0]=4 24590 B12R1.34 CCC(=O)N(C)C1CCSCC1 11a_100015184757_100000210414 [0,1,0,1,0,0|2,0,0]=4 24591 B12R1.34 CCC(=O)N(C)C1CCSCC1 240690a_100015184757_100000210414 [0,1,0,1,0,0|2,0,0]=4 24592 B12R1.34 CCC(=O)N(C)C1CCSCC1 527a_100015184757_100000210414 [0,1,0,1,0,0|2,0,0]=4 24593 B12R1.34 CCC(=O)[C@H](C)N1CCOCC1 1458a_100000729938_100000210202 [0,1,0,1,0,0|2,0,0]=4 24594 B12R1.34 CN(C(=O)CO)C1CCCCC1 240690a_100000207522_100000210174 [0,1,0,1,0,0|2,0,0]=4 24595 B12R1.34 CN(C(=O)CO)C1CCCCC1 527a_100000207522_100000210174 [0,1,0,1,0,0|2,0,0]=4 24596 B12R1.34 CNC(=O)C(=O)C1CCCCC1 1458a_100011218921_100000210327 [0,1,0,1,0,0|1,0,1]=4 24597 B12R1.34 CNC(=O)C(C)C1CCCCC1 11a_106832991635_100011435303 [0,1,0,1,0,0|1,0,0]=3 24598 B12R1.34 CNC(=O)C(C)C1CCCCC1 1626a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 24599 B12R1.34 CNC(=O)C(C)C1CCCCC1 240690a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 24600 B12R1.34 CNC(=O)C(C)C1CCCCC1 527a_100102657272_100011435303 [0,1,0,1,0,0|1,0,0]=3 24601 B12R1.34 CNC(=O)C(O)C1CCCCC1 240690a_100102657272_100000242593 [0,1,0,1,0,0|1,0,0]=3 24602 B12R1.34 CNC(=O)N(C)C1CCCCC1 2708a_100102657272_100000207522 [0,1,0,1,0,0|2,0,0]=4 24603 B12R1.34 CNC(=O)N(C)C1CCCCC1 273464a_100102657272_100000207522 [0,1,0,1,0,0|2,0,0]=4 24604 B12R1.34 O=C(CF)C(O)C1CCCCC1 1458a_100000242593_100015361967 [0,1,0,1,0,0|1,0,0]=3 24605 B12R1.84 CCN1CCC[C@@]1(C)C(=O)OC 2230a_100000719487_100000210202 [0,1,0,1,0,0|2,0,0]=4 24606 B12R1.84 CCN1CCC[C@@]1(C)C(=O)OC 269982a_100000719487_100000204670 [0,1,0,1,0,0|2,0,0]=4 24607 B12R1.84 CCN1CCC[C@@]1(C)C(=O)OC 34a_100000719487_100000210202 [0,1,0,1,0,0|2,0,0]=4 24608 B12R1.108 CCC(=O)C(C)NC1CCCC1 2230a_100000211070_100000742827 [0,1,0,1,0,0|1,0,0]=3 24609 B12R1.108 CCC(=O)C(C)N[C@@H]1CCOC1 2230a_200015188469_100000742827 [0,1,0,1,0,0|2,0,0]=4 24610 B12R1.108 CCC(=O)C(C)N[C@H]1CCOC1 2230a_100015188467_100000742827 [0,1,0,1,0,0|2,0,0]=4 24611 B12R1.108 CCC(=O)C(C)OC1CCCC1 7a_100000210269_100000742827 [0,1,0,1,0,0|1,0,0]=3 24612 B12R1.108 CCC(=O)C(C)OC1CCSC1 7a_100011232664_100000742827 [0,1,0,1,0,0|2,0,0]=4 24613 B12R1.108 CCC(=O)C(C)SC1CCCC1 62a_100000742827_100000179811 [0,1,0,1,0,0|1,0,0]=3 24614 B12R1.108 CCC(=O)C(C)SC1CCCC1 62a_100011217020_100000742827 [0,1,0,1,0,0|1,0,0]=3 24615 B12R1.108 CCC(=O)C(C)SC1CCOC1 62a_100000742827_100000690089 [0,1,0,1,0,0|2,0,0]=4 24616 B12R1.108 CCC(=O)N(C)CC1CCCO1 11a_100102946541_100000210414 [0,1,0,1,0,0|2,0,0]=4 24617 B12R1.108 CCC(=O)N(C)CC1CCCO1 1626a_100102946541_100000210414 [0,1,0,1,0,0|2,0,0]=4 24618 B12R1.108 CCC(=O)N(C)CC1CCCO1 240690a_100102946541_100000210414 [0,1,0,1,0,0|2,0,0]=4 24619 B12R1.108 CCC(=O)N(C)CC1CCCO1 527a_100102946541_100000210414 [0,1,0,1,0,0|2,0,0]=4 24620 B12R1.108 CCC(=O)N(C)CC1CCOC1 11a_100000684583_100000210414 [0,1,0,1,0,0|2,0,0]=4 24621 B12R1.108 CCC(=O)N(C)CC1CCOC1 1626a_100000684583_100000210414 [0,1,0,1,0,0|2,0,0]=4 24622 B12R1.108 CCC(=O)N(C)CC1CCOC1 240690a_100000684583_100000210414 [0,1,0,1,0,0|2,0,0]=4 24623 B12R1.108 CCC(=O)N(C)CC1CCOC1 527a_100000684583_100000210414 [0,1,0,1,0,0|2,0,0]=4 24624 B12R1.108 CNC(=O)C(=O)CC1CCCC1 1458a_100011218921_100000740388 [0,1,0,1,0,0|1,0,1]=4 24625 B12R1.108 CNC(=O)C(C)NC1CCCC1 2230a_100000211070_100000731044 [0,1,0,1,0,0|2,0,0]=4 24626 B12R1.108 CNC(=O)C(C)NC1CCCC1 34a_100000211070_100000731044 [0,1,0,1,0,0|2,0,0]=4 24627 B12R1.108 CNC(=O)C(C)OC1CCCC1 34a_100000210269_100000731044 [0,1,0,1,0,0|2,0,0]=4 24628 B12R1.108 CNC(=O)C(C)OC1CCCC1 7a_100000210269_100000209862 [0,1,0,1,0,0|2,0,0]=4 24629 B12R1.108 CNC(=O)C(C)SC1CCCC1 62a_100000209862_100000179811 [0,1,0,1,0,0|2,0,0]=4 24630 B12R1.108 CNC(=O)C(C)SC1CCCC1 62a_100011217020_100000731044 [0,1,0,1,0,0|2,0,0]=4 24631 B12R1.108 CNC(=O)C(F)NC1CCCC1 2230a_100000211070_100009813575 [0,1,0,1,0,0|2,0,0]=4 24632 B12R1.108 CNC(=O)C(F)NC1CCCC1 34a_100000211070_100009813575 [0,1,0,1,0,0|2,0,0]=4 24633 B12R1.108 CNC(=O)C(F)OC1CCCC1 34a_100000210269_100009813575 [0,1,0,1,0,0|2,0,0]=4 24634 B12R1.108 CNC(=O)C(F)OC1CCCC1 7a_100000210269_100009813575 [0,1,0,1,0,0|2,0,0]=4 24635 B12R1.108 CNC(=O)C(F)SC1CCCC1 62a_100009813575_100000179811 [0,1,0,1,0,0|2,0,0]=4 24636 B12R1.108 CNC(=O)C(F)SC1CCCC1 62a_100011217020_100009813575 [0,1,0,1,0,0|2,0,0]=4 24637 B12R1.108 CNC(=O)[C@@H](C)NC1CCCC1 2230a_100000684985_100000179811 [0,1,0,1,0,0|2,0,0]=4 24638 B12R1.108 CNC(=O)[C@@H](C)NC1CCCC1 34a_100000684985_100000179811 [0,1,0,1,0,0|2,0,0]=4 24639 B12R1.108 COC(=O)C(C)CN1CCCC1 269982a_100000188435_100000698445 [0,1,0,1,0,0|2,0,0]=4 24640 B12R1.108 COC(=O)C(C)NC1CCCC1 2230a_100000211070_100000211248 [0,1,0,1,0,0|2,0,0]=4 24641 B12R1.108 COC(=O)C(C)NC1CCCC1 34a_100000211070_100000211248 [0,1,0,1,0,0|2,0,0]=4 24642 B12R1.108 COC(=O)C(C)OC1CCCC1 34a_100000210269_100000211248 [0,1,0,1,0,0|2,0,0]=4 24643 B12R1.108 COC(=O)C(C)OC1CCCC1 34a_100011215400_100000179811 [0,1,0,1,0,0|2,0,0]=4 24644 B12R1.108 COC(=O)C(C)OC1CCCC1 7a_100000210269_100000211248 [0,1,0,1,0,0|2,0,0]=4 24645 B12R1.108 COC(=O)C(C)SC1CCCC1 62a_100000211248_100000179811 [0,1,0,1,0,0|2,0,0]=4 24646 B12R1.108 COC(=O)C(C)SC1CCCC1 62a_100011217020_100000211248 [0,1,0,1,0,0|2,0,0]=4 24647 B12R1.179 CCC(=O)N1CCC(C1)CCO 240690a_100016987287_100000210414 [0,1,0,1,0,0|2,0,0]=4 24648 B12R1.179 CCC(=O)N1CCC(C1)CCO 527a_100016987287_100000210414 [0,1,0,1,0,0|2,0,0]=4 24649 B12R1.179 CCC(=O)N1CCC(C1)COC 11a_100025706693_100000210414 [0,1,0,1,0,0|2,0,0]=4 24650 B12R1.179 CCC(=O)N1CCC(C1)COC 1626a_100025706693_100000210414 [0,1,0,1,0,0|2,0,0]=4 24651 B12R1.179 CCC(=O)N1CCC(C1)COC 240690a_100025706693_100000210414 [0,1,0,1,0,0|2,0,0]=4 24652 B12R1.179 CCC(=O)N1CCC(C1)COC 527a_100025706693_100000210414 [0,1,0,1,0,0|2,0,0]=4 24653 B12R1.179 CCCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 24654 B12R1.179 CCCN1CCC(C1)C(=O)NC 269982a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 24655 B12R1.179 CCCN1CCC(C1)C(=O)NC 34a_100020588580_100000210303 [0,1,0,1,0,0|2,0,0]=4 24656 B12R1.179 CCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210303 [0,1,0,1,0,0|2,0,0]=4 24657 B12R1.179 CCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000210303 [0,1,0,1,0,0|2,0,0]=4 24658 B12R1.179 CCOC1CCC(C1)C(=O)OC 34a_100010257243_100000210202 [0,1,0,1,0,0|2,0,0]=4 24659 B12R1.179 CCOC1CCC(C1)C(=O)OC 7a_100010257243_100000210202 [0,1,0,1,0,0|2,0,0]=4 24660 B12R1.179 CCO[C@H]1CCN(C1)C(=O)CC 11a_100011787710_100000210414 [0,1,0,1,0,0|2,0,0]=4 24661 B12R1.179 CCO[C@H]1CCN(C1)C(=O)CC 1626a_100011787710_100000210414 [0,1,0,1,0,0|2,0,0]=4 24662 B12R1.179 CCO[C@H]1CCN(C1)C(=O)CC 240690a_100011787710_100000210414 [0,1,0,1,0,0|2,0,0]=4 24663 B12R1.179 CCO[C@H]1CCN(C1)C(=O)CC 527a_100011787710_100000210414 [0,1,0,1,0,0|2,0,0]=4 24664 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 2230a_106832991635_200159312670 [0,1,0,1,0,0|2,0,0]=4 24665 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 34a_100102657272_200159312670 [0,1,0,1,0,0|2,0,0]=4 24666 B12R1.179 CNC[C@H]1CC[C@H](C1)C(=O)OC 7a_106832991635_200159312670 [0,1,0,1,0,0|2,0,0]=4 24667 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CO[13CH3] 34a_100015302752_200025704644 [0,1,0,1,0,0|2,0,0]=4 24668 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CO[13CH3] 7a_100015302752_200025704644 [0,1,0,1,0,0|2,0,0]=4 24669 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CSC 62a_200000210301_200159312670 [0,1,0,1,0,0|2,0,0]=4 24670 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CSC 62a_200159312670_200000210301 [0,1,0,1,0,0|2,0,0]=4 24671 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CS[13CH3] 62a_200025704644_200159312670 [0,1,0,1,0,0|2,0,0]=4 24672 B12R1.179 COC(=O)[C@@H]1CC[C@@H](C1)CS[13CH3] 62a_200159312670_200025704644 [0,1,0,1,0,0|2,0,0]=4 24673 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 34a_100015302752_200000210301 [0,1,0,1,0,0|2,0,0]=4 24674 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 34a_100138415774_200159312670 [0,1,0,1,0,0|2,0,0]=4 24675 B12R1.179 COC[C@H]1CC[C@H](C1)C(=O)OC 7a_100015302752_200000210301 [0,1,0,1,0,0|2,0,0]=4 24676 B12R1.468 CCC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000742827 [0,1,0,1,0,0|1,0,0]=3 24677 B12R1.468 CCC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000742827 [0,1,0,1,0,0|1,0,0]=3 24678 B12R1.468 CCC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000742827 [0,1,0,1,0,0|1,0,0]=3 24679 B12R1.468 CCC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000742827 [0,1,0,1,0,0|1,0,0]=3 24680 B12R1.468 CCC(=O)C(C)N1CCSC1C 2230a_200011216479_100000742827 [0,1,0,1,0,0|2,0,0]=4 24681 B12R1.468 CCC(=O)C(C)N1CCSC1C 269982a_200011216479_100000742827 [0,1,0,1,0,0|2,0,0]=4 24682 B12R1.468 CNC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000731044 [0,1,0,1,0,0|2,0,0]=4 24683 B12R1.468 CNC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000209862 [0,1,0,1,0,0|2,0,0]=4 24684 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000731044 [0,1,0,1,0,0|2,0,0]=4 24685 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000209862 [0,1,0,1,0,0|2,0,0]=4 24686 B12R1.468 CNC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100000731044 [0,1,0,1,0,0|2,0,0]=4 24687 B12R1.468 CNC(=O)C(F)N1CCC[C@@H]1C 2230a_100020605311_100009813575 [0,1,0,1,0,0|2,0,0]=4 24688 B12R1.468 CNC(=O)C(F)N1CCC[C@@H]1C 269982a_100020605311_100009813575 [0,1,0,1,0,0|2,0,0]=4 24689 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 2230a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 24690 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 269982a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 24691 B12R1.468 CNC(=O)C(F)N1CCC[C@H]1C 34a_100015189458_100009813575 [0,1,0,1,0,0|2,0,0]=4 24692 B12R1.468 COC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000211248 [0,1,0,1,0,0|2,0,0]=4 24693 B12R1.468 COC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000211248 [0,1,0,1,0,0|2,0,0]=4 24694 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000211248 [0,1,0,1,0,0|2,0,0]=4 24695 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000211248 [0,1,0,1,0,0|2,0,0]=4 24696 B12R1.468 COC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100000211248 [0,1,0,1,0,0|2,0,0]=4 24697 B12R1.470 CCC(=O)C(C)NCC1CCC1 2230a_100000738700_100000742827 [0,1,0,1,0,0|1,0,0]=3 24698 B12R1.470 CCC(=O)C(C)NCC1COC1 2230a_100015281925_100000742827 [0,1,0,1,0,0|2,0,0]=4 24699 B12R1.470 CCC(=O)C(C)NC[C@@H]1CCO1 2230a_100020831831_100000742827 [0,1,0,1,0,0|2,0,0]=4 24700 B12R1.470 CCC(=O)C(C)SCC1CCC1 62a_100000742827_100000763275 [0,1,0,1,0,0|1,0,0]=3 24701 B12R1.470 CCC(=O)C(C)SCC1CCC1 62a_100000763275_100000742827 [0,1,0,1,0,0|1,0,0]=3 24702 B12R1.470 CCC(=O)C(C)SCC1CCO1 62a_100000103362_100000742827 [0,1,0,1,0,0|2,0,0]=4 24703 B12R1.470 CCC(=O)C(C)SCC1CCO1 62a_100000742827_100000103362 [0,1,0,1,0,0|2,0,0]=4 24704 B12R1.470 CCC(=O)C(C)SCC1COC1 62a_100000742827_100010264016 [0,1,0,1,0,0|2,0,0]=4 24705 B12R1.470 CCC(=O)C(C)SCC1COC1 62a_100010264016_100000742827 [0,1,0,1,0,0|2,0,0]=4 24706 B12R1.470 CNC(=O)C(C)CNC1CCC1 270004a_100015187722_100000241760 [0,1,0,1,0,0|2,0,0]=4 24707 B12R1.470 CNC(=O)C(C)CNC1CCC1 34a_100015187722_100000749161 [0,1,0,1,0,0|2,0,0]=4 24708 B12R1.470 CNC(=O)C(C)NCC1CCC1 2230a_100000738700_100000731044 [0,1,0,1,0,0|2,0,0]=4 24709 B12R1.470 CNC(=O)C(C)NCC1CCC1 34a_100000738700_100000731044 [0,1,0,1,0,0|2,0,0]=4 24710 B12R1.470 CNC(=O)C(C)OCC1CCC1 34a_100000760304_100000731044 [0,1,0,1,0,0|2,0,0]=4 24711 B12R1.470 CNC(=O)C(C)SCC1CCC1 62a_100000209862_100000763275 [0,1,0,1,0,0|2,0,0]=4 24712 B12R1.470 CNC(=O)C(C)SCC1CCC1 62a_100000763275_100000731044 [0,1,0,1,0,0|2,0,0]=4 24713 B12R1.470 CNC(=O)C(F)NCC1CCC1 2230a_100000738700_100009813575 [0,1,0,1,0,0|2,0,0]=4 24714 B12R1.470 CNC(=O)C(F)NCC1CCC1 34a_100000738700_100009813575 [0,1,0,1,0,0|2,0,0]=4 24715 B12R1.470 CNC(=O)C(F)OCC1CCC1 34a_100000760304_100009813575 [0,1,0,1,0,0|2,0,0]=4 24716 B12R1.470 CNC(=O)C(F)SCC1CCC1 62a_100000763275_100009813575 [0,1,0,1,0,0|2,0,0]=4 24717 B12R1.470 CNC(=O)C(F)SCC1CCC1 62a_100009813575_100000763275 [0,1,0,1,0,0|2,0,0]=4 24718 B12R1.470 CNC(=O)[C@@H](C)NCC1CCC1 2230a_100000684985_100000763275 [0,1,0,1,0,0|2,0,0]=4 24719 B12R1.470 CNC(=O)[C@@H](C)NCC1CCC1 34a_100000684985_100000763275 [0,1,0,1,0,0|2,0,0]=4 24720 B12R1.470 COC(=O)C(C)CCN1CCC1 269982a_100000754969_100000034942 [0,1,0,1,0,0|2,0,0]=4 24721 B12R1.470 COC(=O)C(C)CNC1CCC1 34a_100000749019_100000698445 [0,1,0,1,0,0|2,0,0]=4 24722 B12R1.470 COC(=O)C(C)COC1CCC1 34a_100000748187_100000698445 [0,1,0,1,0,0|2,0,0]=4 24723 B12R1.470 COC(=O)C(C)COC1CCC1 34a_100000749362_100000749161 [0,1,0,1,0,0|2,0,0]=4 24724 B12R1.470 COC(=O)C(C)CSC1CCC1 62a_100000698445_100000749161 [0,1,0,1,0,0|2,0,0]=4 24725 B12R1.470 COC(=O)C(C)NCC1CCC1 2230a_100000738700_100000211248 [0,1,0,1,0,0|2,0,0]=4 24726 B12R1.470 COC(=O)C(C)NCC1CCC1 34a_100000738700_100000211248 [0,1,0,1,0,0|2,0,0]=4 24727 B12R1.470 COC(=O)C(C)OCC1CCC1 34a_100000760304_100000211248 [0,1,0,1,0,0|2,0,0]=4 24728 B12R1.470 COC(=O)C(C)OCC1CCC1 34a_100011215400_100000763275 [0,1,0,1,0,0|2,0,0]=4 24729 B12R1.470 COC(=O)C(C)SCC1CCC1 62a_100000211248_100000763275 [0,1,0,1,0,0|2,0,0]=4 24730 B12R1.470 COC(=O)C(C)SCC1CCC1 62a_100000763275_100000211248 [0,1,0,1,0,0|2,0,0]=4 24731 B12R1.470 COC(=O)C(F)COC1CCC1 34a_200009849844_100000749161 [0,1,0,1,0,0|2,0,0]=4 24732 B12R1.470 COC(=O)[C@H](N)COC1CCC1 34a_100000003586_100000749161 [0,1,0,1,0,0|2,0,0]=4 24733 B12R1.471 CCC(=O)C(C)OCCC1CC1 7a_100000754188_100000742827 [0,1,0,1,0,0|1,0,0]=3 24734 B12R1.471 CCC(=O)C(C)SCCC1CC1 62a_100000742827_100000764125 [0,1,0,1,0,0|1,0,0]=3 24735 B12R1.471 CCC(=O)C(C)SCCC1CC1 62a_100000764125_100000742827 [0,1,0,1,0,0|1,0,0]=3 24736 B12R1.471 CCC(=O)C(C)SCCC1CO1 62a_100000732470_100000742827 [0,1,0,1,0,0|2,0,0]=4 24737 B12R1.471 CCC(=O)C(C)SCCC1CO1 62a_100000742827_100000732470 [0,1,0,1,0,0|2,0,0]=4 24738 B12R1.471 CNC(=O)C(C)CNCC1CC1 2230a_100015187722_100000742324 [0,1,0,1,0,0|2,0,0]=4 24739 B12R1.471 CNC(=O)C(C)CNCC1CC1 269862a_100015187722_100000741477 [0,1,0,1,0,0|2,0,0]=4 24740 B12R1.471 CNC(=O)C(C)CNCC1CC1 34a_100015187722_100000742324 [0,1,0,1,0,0|2,0,0]=4 24741 B12R1.471 CNC(=O)C(C)NCCC1CC1 34a_100000764129_100000731044 [0,1,0,1,0,0|2,0,0]=4 24742 B12R1.471 CNC(=O)C(C)OCCC1CC1 34a_100000754188_100000731044 [0,1,0,1,0,0|2,0,0]=4 24743 B12R1.471 CNC(=O)C(C)OCCC1CC1 7a_100000754188_100000209862 [0,1,0,1,0,0|2,0,0]=4 24744 B12R1.471 CNC(=O)C(C)SCCC1CC1 62a_100000209862_100000764125 [0,1,0,1,0,0|2,0,0]=4 24745 B12R1.471 CNC(=O)C(C)SCCC1CC1 62a_100000764125_100000731044 [0,1,0,1,0,0|2,0,0]=4 24746 B12R1.471 CNC(=O)C(F)NCCC1CC1 34a_100000764129_100009813575 [0,1,0,1,0,0|2,0,0]=4 24747 B12R1.471 CNC(=O)C(F)OCCC1CC1 34a_100000754188_100009813575 [0,1,0,1,0,0|2,0,0]=4 24748 B12R1.471 CNC(=O)C(F)OCCC1CC1 7a_100000754188_100009813575 [0,1,0,1,0,0|2,0,0]=4 24749 B12R1.471 CNC(=O)C(F)SCCC1CC1 62a_100000764125_100009813575 [0,1,0,1,0,0|2,0,0]=4 24750 B12R1.471 CNC(=O)C(F)SCCC1CC1 62a_100009813575_100000764125 [0,1,0,1,0,0|2,0,0]=4 24751 B12R1.471 CNC(=O)[C@@H](C)NCCC1CC1 2230a_100000684985_100000694398 [0,1,0,1,0,0|2,0,0]=4 24752 B12R1.471 CNC(=O)[C@@H](C)NCCC1CC1 34a_100000684985_100000694398 [0,1,0,1,0,0|2,0,0]=4 24753 B12R1.471 COC(=O)C(C)CCNC1CC1 34a_100000212008_100000034942 [0,1,0,1,0,0|2,0,0]=4 24754 B12R1.471 COC(=O)C(C)CCSC1CC1 62a_100000034942_100000211595 [0,1,0,1,0,0|2,0,0]=4 24755 B12R1.471 COC(=O)C(C)CNCC1CC1 34a_100000735609_100000698445 [0,1,0,1,0,0|2,0,0]=4 24756 B12R1.471 COC(=O)C(C)COCC1CC1 34a_100000211283_100000698445 [0,1,0,1,0,0|2,0,0]=4 24757 B12R1.471 COC(=O)C(C)COCC1CC1 34a_100000749362_100000742324 [0,1,0,1,0,0|2,0,0]=4 24758 B12R1.471 COC(=O)C(C)COCC1CC1 7a_100000749362_100000742324 [0,1,0,1,0,0|2,0,0]=4 24759 B12R1.471 COC(=O)C(C)CSCC1CC1 62a_100000698445_100000742324 [0,1,0,1,0,0|2,0,0]=4 24760 B12R1.471 COC(=O)C(C)CSCC1CC1 62a_100000756562_100000698445 [0,1,0,1,0,0|2,0,0]=4 24761 B12R1.471 COC(=O)C(C)NCCC1CC1 34a_100000764129_100000211248 [0,1,0,1,0,0|2,0,0]=4 24762 B12R1.471 COC(=O)C(C)OCCC1CC1 34a_100000754188_100000211248 [0,1,0,1,0,0|2,0,0]=4 24763 B12R1.471 COC(=O)C(C)OCCC1CC1 34a_100011215400_100000694398 [0,1,0,1,0,0|2,0,0]=4 24764 B12R1.471 COC(=O)C(C)OCCC1CC1 7a_100000754188_100000211248 [0,1,0,1,0,0|2,0,0]=4 24765 B12R1.471 COC(=O)C(C)SCCC1CC1 62a_100000211248_100000764125 [0,1,0,1,0,0|2,0,0]=4 24766 B12R1.471 COC(=O)C(C)SCCC1CC1 62a_100000764125_100000211248 [0,1,0,1,0,0|2,0,0]=4 24767 B12R1.471 COC(=O)C(F)COCC1CC1 34a_200009849844_100000742324 [0,1,0,1,0,0|2,0,0]=4 24768 B12R1.471 COC(=O)[C@H](N)COCC1CC1 34a_100000003586_100000742324 [0,1,0,1,0,0|2,0,0]=4 24769 B12R1.544 CCCN1CCN(C(=O)C1C)C 2230a_100000708691_100000210303 [0,1,0,1,0,0|2,0,0]=4 24770 B12R1.544 CCCN1CCN(C(=O)C1C)C 269982a_100000708691_100000210303 [0,1,0,1,0,0|2,0,0]=4 24771 B12R1.544 CCCN1CCN(C(=O)C1C)C 34a_100000708691_100000210303 [0,1,0,1,0,0|2,0,0]=4 24772 B12R1.561 CCCCCCC(C)N1CCC1 269982a_100000754969_100011215978 [0,1,0,1,0,0|2,0,0]=4 24773 B12R1.839 CCC(=O)C(C)OCC1CC1C 7a_100000744939_100000742827 [0,1,0,1,0,0|1,0,0]=3 24774 B12R1.839 CNC(=O)C(C)OCC1CC1C 34a_100000744939_100000731044 [0,1,0,1,0,0|2,0,0]=4 24775 B12R1.839 CNC(=O)C(C)OCC1CC1C 7a_100000744939_100000209862 [0,1,0,1,0,0|2,0,0]=4 24776 B12R1.839 CNC(=O)C(F)OCC1CC1C 34a_100000744939_100009813575 [0,1,0,1,0,0|2,0,0]=4 24777 B12R1.839 CNC(=O)C(F)OCC1CC1C 7a_100000744939_100009813575 [0,1,0,1,0,0|2,0,0]=4 24778 B12R1.839 COC(=O)C(C)OCC1CC1C 34a_100000744939_100000211248 [0,1,0,1,0,0|2,0,0]=4 24779 B12R1.839 COC(=O)C(C)OCC1CC1C 7a_100000744939_100000211248 [0,1,0,1,0,0|2,0,0]=4 24780 B12R1.840 COC(=O)C(C)CN1CCC1C 269982a_100000755817_100000698445 [0,1,0,1,0,0|2,0,0]=4 24781 B12R1.840 COC(=O)C(C)CN1CCC1C 34a_100000755817_100000698445 [0,1,0,1,0,0|2,0,0]=4 24782 B12R1.1096 CCCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210303 [0,1,0,1,0,0|2,0,0]=4 24783 B12R1.1096 CCCN1CCC(=O)N(CC1)C 269982a_100020591582_100000210303 [0,1,0,1,0,0|2,0,0]=4 24784 B12R1.1096 CCCN1CCC(=O)N(CC1)C 34a_100020591582_100000210303 [0,1,0,1,0,0|2,0,0]=4 24785 B12R1.1729 COC(=O)C1(CCCCN1C)C 2230a_100015186357_200000210301 [0,1,0,1,0,0|2,0,0]=4 24786 B12R1.1729 COC(=O)C1(CCCCN1C)C 269982a_100015186357_200000210301 [0,1,0,1,0,0|2,0,0]=4 24787 B12R1.1729 COC(=O)C1(CCCCN1C)C 34a_100015186357_200000210301 [0,1,0,1,0,0|2,0,0]=4 24788 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 2230a_100015186357_200025704644 [0,1,0,1,0,0|2,0,0]=4 24789 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 269982a_100015186357_200025704644 [0,1,0,1,0,0|2,0,0]=4 24790 B12R1.1729 COC(=O)C1(CCCCN1[13CH3])C 34a_100015186357_200025704644 [0,1,0,1,0,0|2,0,0]=4 24791 B12R1.15 CC(CC(=O)CO)N1CCCC1 1458a_100000210174_200015187269 [0,1,0,1,0,0|2,0,0]=4 24792 B12R1.15 CC(NC(=O)CO)C1CCCC1 240690a_100015185923_100000210174 [0,1,0,1,0,0|2,0,0]=4 24793 B12R1.15 CC(NC(=O)CO)C1CCCC1 527a_100015185923_100000210174 [0,1,0,1,0,0|2,0,0]=4 24794 B12R1.15 CCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747405 [0,1,0,1,0,0|0,0,1]=3 24795 B12R1.15 CCC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000747405 [0,1,0,1,0,0|1,0,1]=4 24796 B12R1.15 CCC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000747405 [0,1,0,1,0,0|1,0,1]=4 24797 B12R1.15 CCC(=O)CC(=O)N1CCCC1 1458a_100000210414_100000183516 [0,1,0,1,0,0|1,0,1]=4 24798 B12R1.15 CCC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000747405 [0,1,0,1,0,0|1,0,1]=4 24799 B12R1.15 CCC(=O)CC(C)N1CCCC1 1458a_100000210414_200015187269 [0,1,0,1,0,0|1,0,0]=3 24800 B12R1.15 CCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000210202 [0,1,0,1,0,0|1,0,0]=3 24801 B12R1.15 CCC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747405 [0,1,0,1,0,0|1,0,0]=3 24802 B12R1.15 CCC(=O)CN(C)C1CCOC1 269982a_100016988252_100000747405 [0,1,0,1,0,0|2,0,0]=4 24803 B12R1.15 CCC(=O)NC(C)C1CCCC1 11a_100015185923_100000210414 [0,1,0,1,0,0|1,0,0]=3 24804 B12R1.15 CCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000210414 [0,1,0,1,0,0|1,0,0]=3 24805 B12R1.15 CCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000210414 [0,1,0,1,0,0|1,0,0]=3 24806 B12R1.15 CCC(=O)NC(C)C1CCCC1 527a_100015185923_100000210414 [0,1,0,1,0,0|1,0,0]=3 24807 B12R1.15 CCC(=O)NC(C)C1CCCO1 11a_100025754208_100000210414 [0,1,0,1,0,0|2,0,0]=4 24808 B12R1.15 CCC(=O)NC(C)C1CCCO1 1626a_100025754208_100000210414 [0,1,0,1,0,0|2,0,0]=4 24809 B12R1.15 CCC(=O)NC(C)C1CCCO1 240690a_100025754208_100000210414 [0,1,0,1,0,0|2,0,0]=4 24810 B12R1.15 CCC(=O)NC(C)C1CCCO1 527a_100025754208_100000210414 [0,1,0,1,0,0|2,0,0]=4 24811 B12R1.15 CN(CC(=O)CF)C1CCCC1 1458a_100073796569_100015361967 [0,1,0,1,0,0|2,0,0]=4 24812 B12R1.15 CNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183359 [0,1,0,1,0,0|1,0,1]=4 24813 B12R1.15 CNC(=O)CN(C)C1CCCC1 2230a_100000189611_100000179811 [0,1,0,1,0,0|2,0,0]=4 24814 B12R1.15 CNC(=O)CN(C)C1CCCC1 2230a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 24815 B12R1.15 CNC(=O)CN(C)C1CCCC1 240690a_100102657272_100073796569 [0,1,0,1,0,0|2,0,0]=4 24816 B12R1.15 CNC(=O)CN(C)C1CCCC1 269982a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 24817 B12R1.15 CNC(=O)CN(C)C1CCCC1 270004a_100000189611_100000210133 [0,1,0,1,0,0|2,0,0]=4 24818 B12R1.15 CNC(=O)CN(C)C1CCCC1 34a_100000207505_100000183359 [0,1,0,1,0,0|2,0,0]=4 24819 B12R1.15 CNC(=O)CN(C)C1CCCC1 527a_100102657272_100073796569 [0,1,0,1,0,0|2,0,0]=4 24820 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100015185923_106832991635 [0,1,0,1,0,0|2,0,0]=4 24821 B12R1.15 CNC(=O)NC(C)C1CCCC1 2708a_100102657272_100015185923 [0,1,0,1,0,0|2,0,0]=4 24822 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100015185923_100102657272 [0,1,0,1,0,0|2,0,0]=4 24823 B12R1.15 CNC(=O)NC(C)C1CCCC1 273464a_100102657272_100015185923 [0,1,0,1,0,0|2,0,0]=4 24824 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_100015185923_100102657272 [0,1,0,1,0,0|2,0,0]=4 24825 B12R1.15 CNC(=O)NC(C)C1CCCC1 512a_106832991638_100015185923 [0,1,0,1,0,0|2,0,0]=4 24826 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747449 [0,1,0,1,0,0|1,0,1]=4 24827 B12R1.15 COC(=O)CC(=O)C1CCCC1 1458a_100000211351_100000179811 [0,1,0,1,0,0|1,0,1]=4 24828 B12R1.15 COC(=O)CC(C)N1CCCC1 2230a_100000188435_100009817358 [0,1,0,1,0,0|2,0,0]=4 24829 B12R1.15 COC(=O)CC(C)N1CCCC1 269982a_100000188435_100009817358 [0,1,0,1,0,0|2,0,0]=4 24830 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000198492_100000179811 [0,1,0,1,0,0|2,0,0]=4 24831 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000207505_100000747449 [0,1,0,1,0,0|2,0,0]=4 24832 B12R1.15 COC(=O)CN(C)C1CCCC1 2230a_100000220824_200000210301 [0,1,0,1,0,0|2,0,0]=4 24833 B12R1.15 COC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747449 [0,1,0,1,0,0|2,0,0]=4 24834 B12R1.15 COC(=O)CN(C)C1CCCC1 270004a_100000198492_100000210133 [0,1,0,1,0,0|2,0,0]=4 24835 B12R1.15 COC(=O)CN(C)C1CCCC1 34a_100000207505_100000747449 [0,1,0,1,0,0|2,0,0]=4 24836 B12R1.15 COC(=O)CN(C)C1CCCC1 34a_100000220824_200000210301 [0,1,0,1,0,0|2,0,0]=4 24837 B12R1.15 COC(=O)CN([13CH3])C1CCCC1 2230a_100000220824_200025704644 [0,1,0,1,0,0|2,0,0]=4 24838 B12R1.15 COC(=O)CN([13CH3])C1CCCC1 34a_100000220824_200025704644 [0,1,0,1,0,0|2,0,0]=4 24839 B12R1.177 CCC(=O)CN1CC(C1)COC 269982a_100016993750_100000747405 [0,1,0,1,0,0|2,0,0]=4 24840 B12R1.177 CCC(=O)NC1CC(C1)COC 11a_100012180050_100000210414 [0,1,0,1,0,0|2,0,0]=4 24841 B12R1.177 CCC(=O)NC1CC(C1)COC 1626a_100012180050_100000210414 [0,1,0,1,0,0|2,0,0]=4 24842 B12R1.177 CCC(=O)NC1CC(C1)COC 240690a_100012180050_100000210414 [0,1,0,1,0,0|2,0,0]=4 24843 B12R1.177 CCC(=O)NC1CC(C1)COC 527a_100012180050_100000210414 [0,1,0,1,0,0|2,0,0]=4 24844 B12R1.177 CCCN1CC(C1)CC(=O)OC 269982a_100016993681_100000210303 [0,1,0,1,0,0|2,0,0]=4 24845 B12R1.177 CCOC1CN(C1)CC(=O)CC 269982a_100000732654_100000747405 [0,1,0,1,0,0|2,0,0]=4 24846 B12R1.304 CCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747405 [0,1,0,1,0,0|0,0,1]=3 24847 B12R1.304 CCC(=O)CC(=O)CC1COC1 1458a_100000687760_100000747405 [0,1,0,1,0,0|1,0,1]=4 24848 B12R1.304 CCC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747405 [0,1,0,1,0,0|1,0,0]=3 24849 B12R1.304 CNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183359 [0,1,0,1,0,0|1,0,1]=4 24850 B12R1.304 CNC(=O)CN(C)CC1CCC1 2230a_100000189611_100000763275 [0,1,0,1,0,0|2,0,0]=4 24851 B12R1.304 CNC(=O)CN(C)CC1CCC1 2230a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 24852 B12R1.304 CNC(=O)CN(C)CC1CCC1 269982a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 24853 B12R1.304 CNC(=O)CN(C)CC1CCC1 34a_200000750244_100000183359 [0,1,0,1,0,0|2,0,0]=4 24854 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000211351_100000763275 [0,1,0,1,0,0|1,0,1]=4 24855 B12R1.304 COC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747449 [0,1,0,1,0,0|1,0,1]=4 24856 B12R1.304 COC(=O)CC(C)NC1CCC1 2230a_100000749019_100009817358 [0,1,0,1,0,0|2,0,0]=4 24857 B12R1.304 COC(=O)CC(C)NC1CCC1 34a_100000749019_100009817358 [0,1,0,1,0,0|2,0,0]=4 24858 B12R1.304 COC(=O)CC(C)OC1CCC1 34a_100000748187_100009817358 [0,1,0,1,0,0|2,0,0]=4 24859 B12R1.304 COC(=O)CC(C)SC1CCC1 62a_100009817358_100000749161 [0,1,0,1,0,0|2,0,0]=4 24860 B12R1.304 COC(=O)CN(C)CC1CCC1 2230a_100000198492_100000763275 [0,1,0,1,0,0|2,0,0]=4 24861 B12R1.304 COC(=O)CN(C)CC1CCC1 2230a_200000750244_100000747449 [0,1,0,1,0,0|2,0,0]=4 24862 B12R1.304 COC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747449 [0,1,0,1,0,0|2,0,0]=4 24863 B12R1.304 COC(=O)CN(C)CC1CCC1 34a_200000750244_100000747449 [0,1,0,1,0,0|2,0,0]=4 24864 B12R1.305 CCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747405 [0,1,0,1,0,0|0,0,1]=3 24865 B12R1.305 CNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183359 [0,1,0,1,0,0|1,0,1]=4 24866 B12R1.305 CNC(=O)CN(C)CCC1CC1 2230a_100000189611_100000694398 [0,1,0,1,0,0|2,0,0]=4 24867 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000211351_100000694398 [0,1,0,1,0,0|1,0,1]=4 24868 B12R1.305 COC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747449 [0,1,0,1,0,0|1,0,1]=4 24869 B12R1.305 COC(=O)CC(C)NCC1CC1 2230a_100000735609_100009817358 [0,1,0,1,0,0|2,0,0]=4 24870 B12R1.305 COC(=O)CC(C)NCC1CC1 34a_100000735609_100009817358 [0,1,0,1,0,0|2,0,0]=4 24871 B12R1.305 COC(=O)CC(C)OCC1CC1 34a_100000211283_100009817358 [0,1,0,1,0,0|2,0,0]=4 24872 B12R1.305 COC(=O)CC(C)SCC1CC1 62a_100000756562_100009817358 [0,1,0,1,0,0|2,0,0]=4 24873 B12R1.305 COC(=O)CC(C)SCC1CC1 62a_100009817358_100000742324 [0,1,0,1,0,0|2,0,0]=4 24874 B12R1.305 COC(=O)CN(C)CCC1CC1 2230a_100000198492_100000694398 [0,1,0,1,0,0|2,0,0]=4 24875 B12R1.305 COC(=O)C[C@@H](O)CNC1CC1 34a_100000212008_100000754131 [0,1,0,1,0,0|2,0,0]=4 24876 B12R1.305 COC(=O)C[C@@H](O)CSC1CC1 62a_100000754131_100000211595 [0,1,0,1,0,0|2,0,0]=4 24877 B12R1.306 COC(=O)CC(C)N1CCC1C 269982a_100000755817_100009817358 [0,1,0,1,0,0|2,0,0]=4 24878 B12R1.306 COC(=O)CC(C)N1CCC1C 34a_100000755817_100009817358 [0,1,0,1,0,0|2,0,0]=4 24879 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [0,1,0,1,0,0|0,0,1]=3 24880 B12R1.485 CCCCCN(C)C1CCC1=O 269982a_100000223495_100009892977 [0,1,0,1,0,0|1,0,0]=3 24881 B12R1.485 CCCOCC(=O)C1CCC1=O 1458a_100000745993_100009892977 [0,1,0,1,0,0|1,0,1]=4 24882 B12R1.485 CCCSCC(=O)C1CCC1=O 1458a_100000217233_100009892977 [0,1,0,1,0,0|1,0,1]=4 24883 B12R1.485 CCOCCC(=O)C1CCC1=O 1458a_100000749530_100009892977 [0,1,0,1,0,0|1,0,1]=4 24884 B12R1.485 CCSCCC(=O)C1CCC1=O 1458a_100000230768_100009892977 [0,1,0,1,0,0|1,0,1]=4 24885 B12R1.485 CN(CCCCO)C1CCC1=O 269982a_100000717598_100009892977 [0,1,0,1,0,0|2,0,0]=4 24886 B12R1.485 COCCCC(=O)C1CCC1=O 1458a_100000741012_100009892977 [0,1,0,1,0,0|1,0,1]=4 24887 B12R1.485 COCCCN(C)C1CCC1=O 269982a_100000224831_100009892977 [0,1,0,1,0,0|2,0,0]=4 24888 B12R1.485 CSCCCC(=O)C1CCC1=O 1458a_100000173376_100009892977 [0,1,0,1,0,0|1,0,1]=4 24889 B12R1.485 O=C(CCCCO)C1CCC1=O 1458a_100000695505_100009892977 [0,1,0,1,0,0|1,0,1]=4 24890 B12R1.1940 CCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747405 [0,1,0,1,0,0|0,0,1]=3 24891 B12R1.1940 CCC1CC1C(=O)CC(=O)NC 1458a_200011661523_100000183359 [0,1,0,1,0,0|1,0,1]=4 24892 B12R1.1940 CCC1CC1C(=O)CC(=O)OC 1458a_200011661523_100000747449 [0,1,0,1,0,0|1,0,1]=4 24893 B12R1.3441 CC1CCCC(N1C(=O)CO)C 240690a_100000210447_100000210174 [0,1,0,1,0,0|2,0,0]=4 24894 B12R1.3441 CCC(=O)N1C(CCCC1C)C 11a_100000210447_100000210414 [0,1,0,1,0,0|1,0,0]=3 24895 B12R1.3441 CCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000210414 [0,1,0,1,0,0|1,0,0]=3 24896 B12R1.3441 CCC(=O)N1[C@@H](COC[C@@H]1C)C 11a_100103153222_100000210414 [0,1,0,1,0,0|2,0,0]=4 24897 B12R1.3441 CCC(=O)N1[C@@H](COC[C@@H]1C)C 240690a_100103153222_100000210414 [0,1,0,1,0,0|2,0,0]=4 24898 B12R1.3441 CCN(C)C1C(CCCC1C)C 2230a_200000753723_100000210202 [0,1,0,1,0,0|2,0,0]=4 24899 B12R1.3441 CCN(C)C1C(CCCC1C)C 269982a_200000753723_100000204670 [0,1,0,1,0,0|2,0,0]=4 24900 B12R1.3441 CCN(C)C1C(CCCC1C)C 34a_200000753723_100000210202 [0,1,0,1,0,0|2,0,0]=4 24901 B12R1.3441 CNC(=O)N1C(CCCC1C)C 2708a_100102657272_100000210447 [0,1,0,1,0,0|2,0,0]=4 24902 B12R1.3441 CNC(=O)N1C(CCCC1C)C 273464a_100102657272_100000210447 [0,1,0,1,0,0|2,0,0]=4 24903 B12R1.3524 CC1(CCCCC1)NC(=O)CO 240690a_100000741114_100000210174 [0,1,0,1,0,0|2,0,0]=4 24904 B12R1.3524 CC1(CCCCC1)NC(=O)CO 527a_100000741114_100000210174 [0,1,0,1,0,0|2,0,0]=4 24905 B12R1.3524 CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210202 [0,1,0,1,0,0|0,0,0]=2 24906 B12R1.3524 CCC(=O)NC1(CCCCC1)C 11a_100000741114_100000210414 [0,1,0,1,0,0|1,0,0]=3 24907 B12R1.3524 CCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000210414 [0,1,0,1,0,0|1,0,0]=3 24908 B12R1.3524 CCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000210414 [0,1,0,1,0,0|1,0,0]=3 24909 B12R1.3524 CCC(=O)NC1(CCCCC1)C 527a_100000741114_100000210414 [0,1,0,1,0,0|1,0,0]=3 24910 B12R1.3524 CCC(=O)NC1(CCOCC1)C 11a_100000692449_100000210414 [0,1,0,1,0,0|2,0,0]=4 24911 B12R1.3524 CCC(=O)NC1(CCOCC1)C 1626a_100000692449_100000210414 [0,1,0,1,0,0|2,0,0]=4 24912 B12R1.3524 CCC(=O)NC1(CCOCC1)C 240690a_100000692449_100000210414 [0,1,0,1,0,0|2,0,0]=4 24913 B12R1.3524 CCC(=O)NC1(CCOCC1)C 527a_100000692449_100000210414 [0,1,0,1,0,0|2,0,0]=4 24914 B12R1.3524 CNC(=O)CC1(CCCCC1)O 240690a_100102657272_100000755886 [0,1,0,1,0,0|1,0,0]=3 24915 B12R1.3524 CNC(=O)CC1(CCCCC1)O 527a_100102657272_100000755886 [0,1,0,1,0,0|1,0,0]=3 24916 B12R1.3524 CNC(=O)NC1(CCCCC1)C 2708a_100102657272_100000741114 [0,1,0,1,0,0|2,0,0]=4 24917 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100000741114_100102657272 [0,1,0,1,0,0|2,0,0]=4 24918 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100102657272_100000741114 [0,1,0,1,0,0|2,0,0]=4 24919 B12R1.3524 CNC(=O)NC1(CCCCC1)C 512a_100000741114_100102657272 [0,1,0,1,0,0|2,0,0]=4 24920 B12R1.3524 O=C(CF)CC1(CCCCC1)O 1458a_100000755886_100015361967 [0,1,0,1,0,0|1,0,0]=3 24921 B12R1.16 C=C1CCC(CC1)C(=O)CCC 1458a_200000138047_100000210303 [0,1,0,1,0,0|1,0,1]=4 24922 B12R1.16 C=C1CCC(CC1)N(C)CCC 270004a_100000747261_100010272673 [0,1,0,1,0,0|2,0,0]=4 24923 B12R1.16 C=C1CCN(CC1)C(C)CCC 2230a_100000752442_100000766640 [0,1,0,1,0,0|2,0,0]=4 24924 B12R1.16 C=C1CCN(CC1)C(C)CCC 269982a_100000752442_100000766640 [0,1,0,1,0,0|2,0,0]=4 24925 B12R1.16 C=C1CCN(CC1)C(C)CCC 270004a_100000752442_100000211909 [0,1,0,1,0,0|2,0,0]=4 24926 B12R1.16 C=C1CCN(CC1)C(C)CCC 34a_100000752442_100000766640 [0,1,0,1,0,0|2,0,0]=4 24927 B12R1.16 CCCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210303 [0,1,0,1,0,0|1,0,1]=4 24928 B12R1.16 CCCC(C)N1CCS(=O)CC1 2230a_100000752083_100000766640 [0,1,0,1,0,0|2,0,0]=4 24929 B12R1.16 CCCC(C)N1CCS(=O)CC1 269982a_100000752083_100000766640 [0,1,0,1,0,0|2,0,0]=4 24930 B12R1.16 CCCC(C)N1CCS(=O)CC1 270004a_100000752083_100000211909 [0,1,0,1,0,0|2,0,0]=4 24931 B12R1.31 CC(CCO)OC1CCC(=O)C1 34a_100012614533_100009893172 [0,1,0,1,0,0|2,0,0]=4 24932 B12R1.31 CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210303 [0,1,0,1,0,0|1,0,1]=4 24933 B12R1.31 CCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211992_100015189358 [0,1,0,1,0,0|1,0,1]=4 24934 B12R1.31 CCCC(C)CN1CNC(=O)C1 2230a_200000708111_100011216630 [0,1,0,1,0,0|2,0,0]=4 24935 B12R1.31 CCCC(C)NC1CNC(=O)C1 2230a_100000697751_100000766640 [0,1,0,1,0,0|2,0,0]=4 24936 B12R1.31 CCCC(C)OC1CCC(=O)C1 34a_100012614533_100000766640 [0,1,0,1,0,0|1,0,0]=3 24937 B12R1.31 CCCC(C)OC1CNC(=O)C1 34a_100000690082_100000766640 [0,1,0,1,0,0|2,0,0]=4 24938 B12R1.31 CCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000747261_100015189358 [0,1,0,1,0,0|2,0,0]=4 24939 B12R1.31 CCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000747261_100015189358 [0,1,0,1,0,0|2,0,0]=4 24940 B12R1.31 COCC(C)OC1CCC(=O)C1 34a_100012614533_100000765312 [0,1,0,1,0,0|2,0,0]=4 24941 B12R1.1562 CCCC(=O)C1CC1C(=O)OC 1458a_100000750770_100000210303 [0,1,0,1,0,0|1,0,1]=4 24942 B12R1.1562 CCCC(C)N1CC1C(=O)OC 2230a_200009830135_100000766640 [0,1,0,1,0,0|2,0,0]=4 24943 B12R1.1562 CCCC(C)N1CC1C(=O)OC 270004a_200009830135_100000211909 [0,1,0,1,0,0|2,0,0]=4 24944 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CC 1458a_100009818562_100000210202 [0,1,0,1,0,0|1,0,1]=4 24945 B12R1.1579 CCCC(=O)[C@H]1CCC(=O)N1C 1458a_100010979499_100000210303 [0,1,0,1,0,0|1,0,1]=4 24946 B12R1.1689 CCC(=O)COCC(=O)C1CC1 34a_100000725409_100000746382 [0,1,0,1,0,0|1,0,1]=4 24947 B12R1.1689 CCC(=O)CSCC(=O)C1CC1 62a_100000746382_100000747405 [0,1,0,1,0,0|1,0,1]=4 24948 B12R1.1689 CCC(=O)CSCC(=O)C1CC1 62a_100000747405_100000746382 [0,1,0,1,0,0|1,0,1]=4 24949 B12R1.1689 CNC(=O)CCCC(=O)C1CC1 1458a_100000210395_100000741757 [0,1,0,1,0,0|1,0,1]=4 24950 B12R1.1689 CNC(=O)CCCN(C)C1CC1 2230a_100000226674_100000741757 [0,1,0,1,0,0|2,0,0]=4 24951 B12R1.1689 CNC(=O)CCCN(C)C1CC1 269982a_100000226674_100000741757 [0,1,0,1,0,0|2,0,0]=4 24952 B12R1.1689 CNC(=O)CCNC(C)C1CC1 2230a_100000700016_100000737683 [0,1,0,1,0,0|2,0,0]=4 24953 B12R1.1689 CNC(=O)CCNC(C)C1CC1 269862a_100000738227_100000210639 [0,1,0,1,0,0|2,0,0]=4 24954 B12R1.1689 CNC(=O)CCNC(C)C1CC1 34a_100000700016_100012179268 [0,1,0,1,0,0|2,0,0]=4 24955 B12R1.1689 CNC(=O)CCOC(C)C1CC1 34a_100000744524_100012179268 [0,1,0,1,0,0|2,0,0]=4 24956 B12R1.1689 CNC(=O)CCOC(C)C1CC1 7a_100000744524_100000737683 [0,1,0,1,0,0|2,0,0]=4 24957 B12R1.1689 CNC(=O)CNCC(O)C1CC1 2230a_100000751198_100000183359 [0,1,0,1,0,0|2,0,0]=4 24958 B12R1.1689 CNC(=O)CNCC(O)C1CC1 34a_100000751198_100000183359 [0,1,0,1,0,0|2,0,0]=4 24959 B12R1.1689 CNC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000183359 [0,1,0,1,0,0|2,0,0]=4 24960 B12R1.1689 COC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011218270 [0,1,0,1,0,0|1,0,1]=4 24961 B12R1.1689 COC(=O)CCCN(C)C1CC1 2230a_100000226674_100011218270 [0,1,0,1,0,0|2,0,0]=4 24962 B12R1.1689 COC(=O)CCCN(C)C1CC1 269982a_100000226674_100011218270 [0,1,0,1,0,0|2,0,0]=4 24963 B12R1.1689 COC(=O)CCCN(C)C1CC1 269982a_100000739225_100000211595 [0,1,0,1,0,0|2,0,0]=4 24964 B12R1.1689 COC(=O)CCNC(C)C1CC1 2230a_100000700016_100000204255 [0,1,0,1,0,0|2,0,0]=4 24965 B12R1.1689 COC(=O)CCNC(C)C1CC1 34a_100000700016_100000742370 [0,1,0,1,0,0|2,0,0]=4 24966 B12R1.1689 COC(=O)CCOC(C)C1CC1 34a_100000744524_100000742370 [0,1,0,1,0,0|2,0,0]=4 24967 B12R1.1689 COC(=O)CCOC(C)C1CC1 7a_100000744524_100000204255 [0,1,0,1,0,0|2,0,0]=4 24968 B12R1.1689 COC(=O)CNCC(O)C1CC1 2230a_100000751198_100000747449 [0,1,0,1,0,0|2,0,0]=4 24969 B12R1.1689 COC(=O)CNCC(O)C1CC1 34a_100000751198_100000747449 [0,1,0,1,0,0|2,0,0]=4 24970 B12R1.1689 COC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000747449 [0,1,0,1,0,0|2,0,0]=4 24971 B12R1.1703 CCC(=O)N1CCN(C[C@@H]1C)C 11a_100012002466_100000210414 [0,1,0,1,0,0|2,0,0]=4 24972 B12R1.1703 CCC(=O)N1CCN(C[C@@H]1C)C 240690a_100012002466_100000210414 [0,1,0,1,0,0|2,0,0]=4 24973 B12R1.1703 CCC(=O)N1CCN(C[C@@H]1C)C 527a_100012002466_100000210414 [0,1,0,1,0,0|2,0,0]=4 24974 B12R1.1849 CCC(=O)COCC1(CCC1)C 34a_100000725409_100000726658 [0,1,0,1,0,0|1,0,0]=3 24975 B12R1.1849 CCC(=O)COCC1(COC1)C 34a_100000725409_100009817586 [0,1,0,1,0,0|2,0,0]=4 24976 B12R1.1849 CCC(=O)COCC1(CSC1)C 7a_100000732658_100000747405 [0,1,0,1,0,0|2,0,0]=4 24977 B12R1.1849 CCC(=O)CSCC1(CCC1)C 62a_100000726658_100000747405 [0,1,0,1,0,0|1,0,0]=3 24978 B12R1.1849 CCC(=O)CSCC1(CCC1)C 62a_100000747405_100000726658 [0,1,0,1,0,0|1,0,0]=3 24979 B12R1.1849 CCC(=O)CSCC1(COC1)C 62a_100000747405_100009817586 [0,1,0,1,0,0|2,0,0]=4 24980 B12R1.1849 CCC(=O)CSCC1(COC1)C 62a_100009817586_100000747405 [0,1,0,1,0,0|2,0,0]=4 24981 B12R1.1849 CNC(=O)CCNC1(CCC1)C 2230a_100000692455_100000737683 [0,1,0,1,0,0|2,0,0]=4 24982 B12R1.1849 CNC(=O)CCNC1(CCC1)C 34a_100000692455_100012179268 [0,1,0,1,0,0|2,0,0]=4 24983 B12R1.1849 CNC(=O)CCOC1(CCC1)C 34a_100000759064_100012179268 [0,1,0,1,0,0|2,0,0]=4 24984 B12R1.1849 CNC(=O)CCOC1(CCC1)C 7a_100000759064_100000737683 [0,1,0,1,0,0|2,0,0]=4 24985 B12R1.1849 CNC(=O)CNCC1(CCC1)C 2230a_100000693194_100000726658 [0,1,0,1,0,0|2,0,0]=4 24986 B12R1.1849 CNC(=O)CNCC1(CCC1)C 2230a_100000706607_100000183359 [0,1,0,1,0,0|2,0,0]=4 24987 B12R1.1849 CNC(=O)CNCC1(CCC1)O 2230a_100000752638_100000183359 [0,1,0,1,0,0|2,0,0]=4 24988 B12R1.1849 CNC(=O)COCC1(CCC1)C 34a_100000750040_100000726658 [0,1,0,1,0,0|2,0,0]=4 24989 B12R1.1849 CNC(=O)CSCC1(CCC1)C 62a_100000183359_100000726658 [0,1,0,1,0,0|2,0,0]=4 24990 B12R1.1849 CNC(=O)CSCC1(CCC1)C 62a_100000726658_100000183359 [0,1,0,1,0,0|2,0,0]=4 24991 B12R1.1849 COC(=O)CCNC1(CCC1)C 2230a_100000692455_100000204255 [0,1,0,1,0,0|2,0,0]=4 24992 B12R1.1849 COC(=O)CCNC1(CCC1)C 34a_100000692455_100000742370 [0,1,0,1,0,0|2,0,0]=4 24993 B12R1.1849 COC(=O)CCOC1(CCC1)C 34a_100000759064_100000742370 [0,1,0,1,0,0|2,0,0]=4 24994 B12R1.1849 COC(=O)CCOC1(CCC1)C 7a_100000759064_100000204255 [0,1,0,1,0,0|2,0,0]=4 24995 B12R1.1849 COC(=O)CNCC1(CCC1)C 2230a_100000706607_100000747449 [0,1,0,1,0,0|2,0,0]=4 24996 B12R1.1849 COC(=O)CNCC1(CCC1)O 2230a_100000752638_100000747449 [0,1,0,1,0,0|2,0,0]=4 24997 B12R1.1849 COC(=O)CSCC1(CCC1)C 62a_100000726658_100000747449 [0,1,0,1,0,0|2,0,0]=4 24998 B12R1.1849 COC(=O)CSCC1(CCC1)C 62a_100000747449_100000726658 [0,1,0,1,0,0|2,0,0]=4 24999 B12R2.24 CN1CCC2CCCCC2C1 2230a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 25000 B12R2.24 CN1CCC2CCCCC2C1 269982a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 25001 B12R2.24 CN1CCC2CCCCC2C1 34a_100000211783_200000210301 [0,0,0,2,0,0|2,0,0]=4 25002 B12R2.24 [13CH3]N1CCC2CCCCC2C1 2230a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 25003 B12R2.24 [13CH3]N1CCC2CCCCC2C1 269982a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 25004 B12R2.24 [13CH3]N1CCC2CCCCC2C1 34a_100000211783_200025704644 [0,0,0,2,0,0|2,0,0]=4 25005 B12R2.294 C=C1CCN(CC1)CC2CC2 2230a_100000752442_100000742324 [0,0,0,2,0,0|2,0,0]=4 25006 B12R2.294 C=C1CCN(CC1)CC2CC2 269982a_100000752442_100000756562 [0,0,0,2,0,0|2,0,0]=4 25007 B12R2.294 C=C1CCN(CC1)CC2CC2 34a_100000752442_100000742324 [0,0,0,2,0,0|2,0,0]=4 25008 B12R2.294 O=C1CCC(CC1)OC2CC2 34a_100000764474_100000211595 [0,0,0,2,0,0|1,0,0]=3 25009 B12R2.294 O=C1CCC(CN1)NC2CC2 34a_100000748762_100000211595 [0,0,0,2,0,0|2,0,0]=4 25010 B12R2.294 O=C1CCC(CN1)OC2CC2 34a_100000079199_100000211595 [0,0,0,2,0,0|2,0,0]=4 25011 B12R2.294 O=S1CCN(CC1)CC2CC2 2230a_100000752083_100000742324 [0,0,0,2,0,0|2,0,0]=4 25012 B12R2.294 O=S1CCN(CC1)CC2CC2 269982a_100000752083_100000756562 [0,0,0,2,0,0|2,0,0]=4 25013 B12R2.1175 CN1CCC2(CCCC2)CC1 2230a_100015203818_200000210301 [0,0,0,2,0,0|2,0,0]=4 25014 B12R2.1175 CN1CCC2(CCCC2)CC1 269982a_100015203818_200000210301 [0,0,0,2,0,0|2,0,0]=4 25015 B12R2.1175 CN1CCC2(CCCC2)CC1 34a_100015203818_200000210301 [0,0,0,2,0,0|2,0,0]=4 25016 B12R2.1175 [13CH3]N1CCC2(CCCC2)CC1 2230a_100015203818_200025704644 [0,0,0,2,0,0|2,0,0]=4 25017 B12R2.1175 [13CH3]N1CCC2(CCCC2)CC1 269982a_100015203818_200025704644 [0,0,0,2,0,0|2,0,0]=4 25018 B12R2.1175 [13CH3]N1CCC2(CCCC2)CC1 34a_100015203818_200025704644 [0,0,0,2,0,0|2,0,0]=4 25019 B12R2.2302 C=C1CCN(CC1)C2CCC2 269982a_100000752442_100000749161 [0,0,0,2,0,0|2,0,0]=4 25020 B12R2.2302 C=C1CCN(CC1)C2CCC2 270004a_100000752442_100000241760 [0,0,0,2,0,0|2,0,0]=4 25021 B12R2.2302 C=C1CCN(CC1)C2CCC2 34a_100000752442_100000749161 [0,0,0,2,0,0|2,0,0]=4 25022 B12R2.2302 O=S1CCN(CC1)C2CCC2 269982a_100000752083_100000749161 [0,0,0,2,0,0|2,0,0]=4 25023 B12R2.2302 O=S1CCN(CC1)C2CCC2 270004a_100000752083_100000241760 [0,0,0,2,0,0|2,0,0]=4 25024 B12R2.81 CC1C(=O)NCCN1C2CC2 269982a_100000750721_100000211595 [0,0,0,2,0,0|2,0,0]=4 25025 B12R2.81 CC1C(=O)NCCN1C2CC2 34a_100000750721_100000211595 [0,0,0,2,0,0|2,0,0]=4 25026 B12R2.1081 CN1CCCC2C1CCCC2 2230a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 25027 B12R2.1081 CN1CCCC2C1CCCC2 269982a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 25028 B12R2.1081 CN1CCCC2C1CCCC2 34a_100000211887_200000210301 [0,0,0,2,0,0|2,0,0]=4 25029 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 2230a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 25030 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 269982a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 25031 B12R2.1081 [13CH3]N1CCCC2C1CCCC2 34a_100000211887_200025704644 [0,0,0,2,0,0|2,0,0]=4 25032 B12R2.6 O=C1CN(CN1)C2CCCC2 2230a_200000708111_100000179811 [0,0,0,2,0,0|2,0,0]=4 25033 B12R2.12 O=C1CCC1NC2CCCC2 34a_100000211070_100009892977 [0,0,0,2,0,0|1,0,0]=3 25034 B12R2.12 O=C1CCC1N[C@H]2CCOC2 34a_100015188467_100009892977 [0,0,0,2,0,0|2,0,0]=4 25035 B12R2.12 O=C1CCC1OC2CCCC2 34a_100000210269_100009892977 [0,0,0,2,0,0|1,0,0]=3 25036 B12R2.12 O=C1CCC1OC2CCCC2 7a_100000210269_100009892977 [0,0,0,2,0,0|1,0,0]=3 25037 B12R2.12 O=C1CCC1OC2CCCO2 34a_100000085407_100009892977 [0,0,0,2,0,0|2,0,0]=4 25038 B12R2.12 O=C1CCC1OC2CCSC2 7a_100011232664_100009892977 [0,0,0,2,0,0|2,0,0]=4 25039 B12R2.12 O=C1CCC1O[C@H]2CCOC2 34a_100000717292_100009892977 [0,0,0,2,0,0|2,0,0]=4 25040 B12R2.12 O=C1CCC1SC2CCCC2 62a_100009892977_100000179811 [0,0,0,2,0,0|1,0,0]=3 25041 B12R2.12 O=C1CCC1SC2CCCC2 62a_100011217020_100009892977 [0,0,0,2,0,0|1,0,0]=3 25042 B12R2.12 O=C1CCC1SC2CCOC2 62a_100009892977_100000690089 [0,0,0,2,0,0|2,0,0]=4 25043 B12R2.1596 C#CC(=O)C1CC2CCC1C2 1458a_100000211873_100000727232 [0,0,0,2,0,0|0,0,2]=4 25044 B12R2.1596 C=CC(=O)C1CC2CCC1C2 1458a_100000185746_100000727232 [0,0,0,2,0,0|0,0,2]=4 25045 B12R2.1596 CCC(=O)C1CC2C=CC1C2 1458a_100000211946_100000210202 [0,0,0,2,0,0|0,0,2]=4 25046 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210202 [0,0,0,2,0,0|0,0,0]=2 25047 B12R2.1596 CCC(=O)C1CC2CCC1C2 1458a_100000210414_100000727232 [0,0,0,2,0,0|0,0,0]=2 25048 B12R2.1596 CCC(=O)N1CC2CCC1C2 11a_100000743476_100000210414 [0,0,0,2,0,0|1,0,0]=3 25049 B12R2.1596 CCC(=O)N1CC2CCC1C2 1626a_100000743476_100000210414 [0,0,0,2,0,0|1,0,0]=3 25050 B12R2.1596 CCC(=O)N1CC2CCC1C2 240690a_100000743476_100000210414 [0,0,0,2,0,0|1,0,0]=3 25051 B12R2.1596 CCC(=O)N1CC2CCC1C2 527a_100000743476_100000210414 [0,0,0,2,0,0|1,0,0]=3 25052 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100000210414 [0,0,0,2,0,0|2,0,0]=4 25053 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100000210414 [0,0,0,2,0,0|2,0,0]=4 25054 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100000210414 [0,0,0,2,0,0|2,0,0]=4 25055 B12R2.1596 CCC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100000210414 [0,0,0,2,0,0|2,0,0]=4 25056 B12R2.1596 CCN(C)C1CC2CCC1C2 2230a_200000720876_100000210202 [0,0,0,2,0,0|2,0,0]=4 25057 B12R2.1596 CCN(C)C1CC2CCC1C2 269982a_100000225621_100000727232 [0,0,0,2,0,0|2,0,0]=4 25058 B12R2.1596 CCN(C)C1CC2CCC1C2 269982a_200000720876_100000204670 [0,0,0,2,0,0|2,0,0]=4 25059 B12R2.1596 CCN(C)C1CC2CCC1C2 34a_200000720876_100000210202 [0,0,0,2,0,0|2,0,0]=4 25060 B12R2.1596 CNC(=O)C1CC2CCC1C2 11a_106832991635_100000181847 [0,0,0,2,0,0|1,0,0]=3 25061 B12R2.1596 CNC(=O)C1CC2CCC1C2 1626a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 25062 B12R2.1596 CNC(=O)C1CC2CCC1C2 240690a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 25063 B12R2.1596 CNC(=O)C1CC2CCC1C2 527a_100102657272_100000181847 [0,0,0,2,0,0|1,0,0]=3 25064 B12R2.1596 CNC(=O)N1CC2CCC1C2 2708a_100102657272_100000743476 [0,0,0,2,0,0|2,0,0]=4 25065 B12R2.1596 CNC(=O)N1CC2CCC1C2 273464a_100102657272_100000743476 [0,0,0,2,0,0|2,0,0]=4 25066 B12R2.1596 O=C(CF)C1CC2CCC1C2 1458a_100000181847_100015361967 [0,0,0,2,0,0|1,0,0]=3 25067 B12R2.1596 O=C(CO)C1CC2CCC1C2 1458a_100000210174_100000727232 [0,0,0,2,0,0|1,0,0]=3 25068 B12R2.1596 O=C(CO)N1CC2CCC1C2 240690a_100000743476_100000210174 [0,0,0,2,0,0|2,0,0]=4 25069 B12R2.1596 O=C(CO)N1CC2CCC1C2 527a_100000743476_100000210174 [0,0,0,2,0,0|2,0,0]=4 25070 B12R2.1626 CCC(=O)NC1C2C1COC2 11a_100000702821_100000210414 [0,0,0,2,0,0|2,0,0]=4 25071 B12R2.1626 CCC(=O)NC1C2C1COC2 240690a_100000702821_100000210414 [0,0,0,2,0,0|2,0,0]=4 25072 B12R2.1626 CCC(=O)NC1C2C1COC2 527a_100000702821_100000210414 [0,0,0,2,0,0|2,0,0]=4 25073 B12R2.1858 CCN1CCC2(C1)CCCC2 2230a_100000764703_100000210202 [0,0,0,2,0,0|2,0,0]=4 25074 B12R2.1858 CCN1CCC2(C1)CCCC2 269982a_100000764703_100000204670 [0,0,0,2,0,0|2,0,0]=4 25075 B12R2.1858 CCN1CCC2(C1)CCCC2 34a_100000764703_100000210202 [0,0,0,2,0,0|2,0,0]=4 25076 B12R2.2056 C1CCC(C1)CCN2CCC2 269982a_100000754969_100000760354 [0,0,0,2,0,0|2,0,0]=4 25077 B12R2.2298 O=C1CC(CN1)CNC2CC2 34a_100016993742_100000211595 [0,0,0,2,0,0|2,0,0]=4 25078 B12R2.2298 O=C1CC(CN1)COC2CC2 34a_100016041077_100000211595 [0,0,0,2,0,0|2,0,0]=4 25079 B12R2.2298 O=C1CC(CN1)NCC2CC2 2230a_100000697751_100000742324 [0,0,0,2,0,0|2,0,0]=4 25080 B12R2.2298 O=C1CC(CN1)NCC2CC2 269862a_100000697751_100000741477 [0,0,0,2,0,0|2,0,0]=4 25081 B12R2.2298 O=C1CC(CN1)OCC2CC2 34a_100000690082_100000742324 [0,0,0,2,0,0|2,0,0]=4 25082 B12R2.2298 O=C1CCC(C1)OCC2CC2 34a_100012614533_100000742324 [0,0,0,2,0,0|1,0,0]=3 25083 B12R2.2298 O=C1CCC(C1)OCC2CO2 34a_100012614533_102125554688 [0,0,0,2,0,0|2,0,0]=4 25084 B12R2.2298 O=C1CCC(N1)COC2CC2 34a_100000737831_100000211595 [0,0,0,2,0,0|2,0,0]=4 25085 B12R2.2298 O=C1CC[C@@H](N1)CNC2CC2 34a_100015423886_100000211595 [0,0,0,2,0,0|2,0,0]=4 25086 B12R2.2298 O=C1CC[C@H](N1)CSC2CC2 62a_100015189358_100000211595 [0,0,0,2,0,0|2,0,0]=4 25087 B12R2.2298 O=C1CN(CN1)CCC2CC2 2230a_200000708111_100000694398 [0,0,0,2,0,0|2,0,0]=4 25088 B12R2.2301 O=C1CC(CN1)OC2CCC2 34a_100000690082_100000749161 [0,0,0,2,0,0|2,0,0]=4 25089 B12R2.2301 O=C1CCC(C1)OC2CCC2 34a_100012614533_100000749161 [0,0,0,2,0,0|1,0,0]=3 25090 B12R2.2301 O=C1CCC(C1)OC2COC2 34a_100012614533_100009818527 [0,0,0,2,0,0|2,0,0]=4 25091 B12R2.2301 O=C1CC[C@H](N1)CN2CCC2 269982a_100000754969_100015189358 [0,0,0,2,0,0|2,0,0]=4 25092 B12R2.2301 O=C1CN(CN1)CC2CCC2 2230a_200000708111_100000763275 [0,0,0,2,0,0|2,0,0]=4 25093 B12R2.23 O=C1CCC1N2CCCOC2 269982a_100000131196_100009892977 [0,0,0,2,0,0|2,0,0]=4 25094 B12R2.23 O=C1CCC1N2CCCOC2 34a_100000131196_100009892977 [0,0,0,2,0,0|2,0,0]=4 25095 B12R2.23 O=C1CCC1N2CCOCC2 269982a_100015191051_100009892977 [0,0,0,2,0,0|2,0,0]=4 25096 B12R2.23 O=C1CCC1N2CCOCC2 34a_100015191051_100009892977 [0,0,0,2,0,0|2,0,0]=4 25097 B12R2.23 O=C1CCC1N2CCSCC2 269982a_100000737611_100009892977 [0,0,0,2,0,0|2,0,0]=4 25098 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 2230a_100015204113_100000210202 [0,0,0,2,0,0|2,0,0]=4 25099 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 269982a_100015204113_100000204670 [0,0,0,2,0,0|2,0,0]=4 25100 B12R2.32 CCN1C[C@H]2CCCC[C@H]2C1 34a_100015204113_100000210202 [0,0,0,2,0,0|2,0,0]=4 25101 B12R2.1561 CCC(=O)N1C2CCC1CC2 11a_100000735658_100000210414 [0,0,0,2,0,0|1,0,0]=3 25102 B12R2.1561 CCC(=O)N1C2CCC1CC2 1626a_100000735658_100000210414 [0,0,0,2,0,0|1,0,0]=3 25103 B12R2.1561 CCC(=O)N1C2CCC1CC2 240690a_100000735658_100000210414 [0,0,0,2,0,0|1,0,0]=3 25104 B12R2.1561 CCC(=O)N1C2CCC1CC2 527a_100000735658_100000210414 [0,0,0,2,0,0|1,0,0]=3 25105 B12R2.1561 CCN(C)C1C2CCC1CC2 269982a_100000225621_100009813300 [0,0,0,2,0,0|2,0,0]=4 25106 B12R2.1561 CNC(=O)N1C2CCC1CC2 2708a_100102657272_100000735658 [0,0,0,2,0,0|2,0,0]=4 25107 B12R2.1561 CNC(=O)N1C2CCC1CC2 273464a_100102657272_100000735658 [0,0,0,2,0,0|2,0,0]=4 25108 B12R2.1561 O=C(CO)N1C2CCC1CC2 240690a_100000735658_100000210174 [0,0,0,2,0,0|2,0,0]=4 25109 B12R2.1561 O=C(CO)N1C2CCC1CC2 527a_100000735658_100000210174 [0,0,0,2,0,0|2,0,0]=4 25110 B12R2.1619 CCC(=O)CN1CC2CC2C1 269982a_100000741873_100000747405 [0,0,0,2,0,0|1,0,0]=3 25111 B12R2.1619 CNC(=O)CN1CC2CC2C1 2230a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 25112 B12R2.1619 CNC(=O)CN1CC2CC2C1 269982a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 25113 B12R2.1619 CNC(=O)CN1CC2CC2C1 34a_100000741873_100000183359 [0,0,0,2,0,0|2,0,0]=4 25114 B12R2.1619 COC(=O)CN1CC2CC2C1 2230a_100000741873_100000747449 [0,0,0,2,0,0|2,0,0]=4 25115 B12R2.1619 COC(=O)CN1CC2CC2C1 269982a_100000741873_100000747449 [0,0,0,2,0,0|2,0,0]=4 25116 B12R2.1619 COC(=O)CN1CC2CC2C1 34a_100000741873_100000747449 [0,0,0,2,0,0|2,0,0]=4 25117 B12R2.2058 C1CCC(CC1)CN2CCC2 269982a_100000754969_100000211423 [0,0,0,2,0,0|2,0,0]=4 25118 B12R2.3511 CCC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100000210202 [0,0,0,2,0,0|0,0,0]=2 25119 B12R2.3511 CNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 11a_106832991635_100153394716 [0,0,0,2,0,0|1,0,0]=3 25120 B12R2.3511 CNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1626a_100102657272_100153394716 [0,0,0,2,0,0|1,0,0]=3 25121 B12R2.3511 CNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 240690a_100102657272_100153394716 [0,0,0,2,0,0|1,0,0]=3 25122 B12R2.3511 CNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 527a_100102657272_100153394716 [0,0,0,2,0,0|1,0,0]=3 25123 B12R2.3511 O=C(CF)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100015361967 [0,0,0,2,0,0|1,0,0]=3 25124 B12R2.244 CC1CC1COC2CCC2=O 34a_100000744939_100009892977 [0,0,0,2,0,0|1,0,0]=3 25125 B12R2.244 CC1CC1COC2CCC2=O 7a_100000744939_100009892977 [0,0,0,2,0,0|1,0,0]=3 25126 B12R2.1310 O=C1CCC1CCN2CCC2 269982a_100000754969_200016118888 [0,0,0,2,0,0|1,0,0]=3 25127 B12R2.1310 O=C1CCC1NCC2CCC2 34a_100000738700_100009892977 [0,0,0,2,0,0|1,0,0]=3 25128 B12R2.1310 O=C1CCC1NCC2COC2 34a_100015281925_100009892977 [0,0,0,2,0,0|2,0,0]=4 25129 B12R2.1310 O=C1CCC1NC[C@@H]2CCO2 34a_100020831831_100009892977 [0,0,0,2,0,0|2,0,0]=4 25130 B12R2.1310 O=C1CCC1OCC2CCC2 34a_100000760304_100009892977 [0,0,0,2,0,0|1,0,0]=3 25131 B12R2.1310 O=C1CCC1OCC2CCO2 34a_100000039022_100009892977 [0,0,0,2,0,0|2,0,0]=4 25132 B12R2.1310 O=C1CCC1OCC2CNC2 34a_100016987283_100009892977 [0,0,0,2,0,0|2,0,0]=4 25133 B12R2.1310 O=C1CCC1OCC2COC2 34a_100000060846_100009892977 [0,0,0,2,0,0|2,0,0]=4 25134 B12R2.1310 O=C1CCC1SCC2CCC2 62a_100000763275_100009892977 [0,0,0,2,0,0|1,0,0]=3 25135 B12R2.1310 O=C1CCC1SCC2CCC2 62a_100009892977_100000763275 [0,0,0,2,0,0|1,0,0]=3 25136 B12R2.1310 O=C1CCC1SCC2CCO2 62a_100000103362_100009892977 [0,0,0,2,0,0|2,0,0]=4 25137 B12R2.1310 O=C1CCC1SCC2CCO2 62a_100009892977_100000103362 [0,0,0,2,0,0|2,0,0]=4 25138 B12R2.1310 O=C1CCC1SCC2COC2 62a_100009892977_100010264016 [0,0,0,2,0,0|2,0,0]=4 25139 B12R2.1310 O=C1CCC1SCC2COC2 62a_100010264016_100009892977 [0,0,0,2,0,0|2,0,0]=4 25140 B12R2.3807 C1CCCC(CC1)N2CCC2 269982a_100000754969_100011217769 [0,0,0,2,0,0|2,0,0]=4 25141 B12R2.296 CCC(=O)N1CCCC12CC2 11a_100020620911_100000210414 [0,0,0,2,0,0|1,0,0]=3 25142 B12R2.296 CCC(=O)N1CCCC12CC2 1626a_100020620911_100000210414 [0,0,0,2,0,0|1,0,0]=3 25143 B12R2.296 CCC(=O)N1CCCC12CC2 240690a_100020620911_100000210414 [0,0,0,2,0,0|1,0,0]=3 25144 B12R2.296 CCC(=O)N1CCCC12CC2 527a_100020620911_100000210414 [0,0,0,2,0,0|1,0,0]=3 25145 B12R2.296 CNC(=O)N1CCCC12CC2 2708a_100102657272_100020620911 [0,0,0,2,0,0|2,0,0]=4 25146 B12R2.296 O=C(CO)N1CCCC12CC2 240690a_100020620911_100000210174 [0,0,0,2,0,0|2,0,0]=4 25147 B12R2.296 O=C(CO)N1CCCC12CC2 527a_100020620911_100000210174 [0,0,0,2,0,0|2,0,0]=4 25148 B12R2.1549 COC(=O)C1C2CC1N(C2)C 2230a_200010453038_200000210301 [0,0,0,2,0,0|2,0,0]=4 25149 B12R2.1549 COC(=O)C1C2CC1N(C2)C 269982a_200010453038_200000210301 [0,0,0,2,0,0|2,0,0]=4 25150 B12R2.1549 COC(=O)C1C2CC1N(C2)C 34a_200010453038_200000210301 [0,0,0,2,0,0|2,0,0]=4 25151 B12R2.1549 COC(=O)C1C2CC1N(C2)[13CH3] 2230a_200010453038_200025704644 [0,0,0,2,0,0|2,0,0]=4 25152 B12R2.1549 COC(=O)C1C2CC1N(C2)[13CH3] 269982a_200010453038_200025704644 [0,0,0,2,0,0|2,0,0]=4 25153 B12R2.1549 COC(=O)C1C2CC1N(C2)[13CH3] 34a_200010453038_200025704644 [0,0,0,2,0,0|2,0,0]=4 25154 B12R2.1593 COC(=O)[C@@H]1CCN1C2CC2 269982a_102516456887_100000211595 [0,0,0,2,0,0|2,0,0]=4 25155 B12R2.3539 CCC(=O)N1CCC12COC2 1626a_100015204706_100000210414 [0,0,0,2,0,0|2,0,0]=4 25156 B12R2.469 O=C1CCN(CCN1)C2CC2 269982a_100000698595_100000211595 [0,0,0,2,0,0|2,0,0]=4 25157 B12R2.110 CC1SCCN1C2CCC2=O 269982a_200011216479_100009892977 [0,0,0,2,0,0|2,0,0]=4 25158 B12R2.110 CC1SCCN1C2CCC2=O 34a_200011216479_100009892977 [0,0,0,2,0,0|2,0,0]=4 25159 B12R2.110 C[C@@H]1CCCN1C2CCC2=O 269982a_100015189458_100009892977 [0,0,0,2,0,0|1,0,0]=3 25160 B12R2.110 C[C@@H]1CCCN1C2CCC2=O 34a_100015189458_100009892977 [0,0,0,2,0,0|1,0,0]=3 25161 B12R2.110 C[C@H]1CCCN1C2CCC2=O 269982a_100020605311_100009892977 [0,0,0,2,0,0|1,0,0]=3 25162 B12R2.1298 O=C1CCC1CCSC2CC2 62a_200016118888_100000211595 [0,0,0,2,0,0|1,0,0]=3 25163 B12R2.1298 O=C1CCC1NCCC2CC2 34a_100000764129_100009892977 [0,0,0,2,0,0|1,0,0]=3 25164 B12R2.1298 O=C1CCC1OCCC2CC2 34a_100000754188_100009892977 [0,0,0,2,0,0|1,0,0]=3 25165 B12R2.1298 O=C1CCC1OCCC2CC2 7a_100000754188_100009892977 [0,0,0,2,0,0|1,0,0]=3 25166 B12R2.1298 O=C1CCC1OCC[C@@H]2CO2 34a_100009820653_100009892977 [0,0,0,2,0,0|2,0,0]=4 25167 B12R2.1298 O=C1CCC1SCCC2CC2 62a_100000764125_100009892977 [0,0,0,2,0,0|1,0,0]=3 25168 B12R2.1298 O=C1CCC1SCCC2CC2 62a_100009892977_100000764125 [0,0,0,2,0,0|1,0,0]=3 25169 B12R2.1298 O=C1CCC1SCCC2CO2 62a_100000732470_100009892977 [0,0,0,2,0,0|2,0,0]=4 25170 B12R2.1298 O=C1CCC1SCCC2CO2 62a_100009892977_100000732470 [0,0,0,2,0,0|2,0,0]=4 25171 B12R2.1548 COC(=O)C1CN1CC2CC2 2230a_200009830135_100000742324 [0,0,0,2,0,0|2,0,0]=4 25172 B12R2.3480 COC(=O)C1CN1C2CCC2 270004a_200009830135_100000241760 [0,0,0,2,0,0|2,0,0]=4